#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otv s ILE 3 N 0.00 5.08 -0.13 -0.08 1.01 -1.26 -4.98 121.20 120.83 1otv s ILE 3 Ca 0.00 1.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.83 1otv s ILE 3 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1otv s ILE 3 CO 0.00 0.25 -0.21 0.41 0.00 0.00 0.00 174.94 175.38 1otv n THR 4 N 3.89 1.17 -4.69 2.92 -1.04 -1.26 -4.95 114.28 110.32 1otv n THR 4 Ca -0.03 0.24 -0.30 0.00 -2.04 0.00 0.00 64.05 61.92 1otv n THR 4 Cb 0.51 -2.20 -0.13 0.00 -1.82 0.00 0.00 70.33 66.69 1otv n THR 4 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1otv s ASP 5 N -5.42 3.63 -0.05 8.00 1.01 -1.26 -4.95 116.67 117.64 1otv s ASP 5 Ca -0.18 -0.48 -0.37 0.00 0.71 0.00 0.00 52.55 52.22 1otv s ASP 5 Cb 0.02 -0.52 -0.16 0.00 1.01 0.00 0.00 42.92 43.28 1otv s ASP 5 CO 0.26 0.25 1.55 0.41 0.21 0.00 0.00 175.17 177.86 1otv n THR 6 N 1.54 0.16 -2.73 -1.27 -1.04 -1.26 -4.91 114.28 104.77 1otv n THR 6 Ca -0.16 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.49 1otv n THR 6 Cb 0.52 -1.13 -0.06 0.00 -1.82 0.00 0.00 70.33 67.85 1otv n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1otv s LEU 7 N 1.91 3.90 0.93 -4.42 1.43 -1.26 -4.99 118.68 116.18 1otv s LEU 7 Ca 0.89 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.62 1otv s LEU 7 Cb -0.94 -4.54 0.15 0.00 0.03 0.00 0.00 46.19 40.88 1otv s LEU 7 CO 0.53 -0.47 1.10 -0.94 0.23 0.00 0.00 176.35 176.79 1otv s SER 8 N -2.18 3.01 0.15 2.29 1.04 -1.26 -4.70 113.70 112.05 1otv s SER 8 Ca 0.63 1.77 -0.19 0.00 0.48 0.00 0.00 55.95 58.65 1otv s SER 8 Cb -0.11 -2.38 0.05 0.00 0.10 0.00 0.00 66.02 63.68 1otv s SER 8 CO 0.16 -2.97 1.67 -0.65 0.98 0.00 0.00 173.24 172.42 1otv h PRO 9 N -1.78 -0.05 -0.29 4.02 0.11 -1.94 0.19 132.00 132.27 1otv h PRO 9 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1otv h PRO 9 Cb 1.28 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1otv h PRO 9 CO 0.49 -0.03 -0.18 0.37 -0.21 0.00 0.00 178.00 178.44 1otv h GLN 10 N -0.05 0.51 -0.03 1.05 5.75 -1.96 -0.23 115.11 120.16 1otv h GLN 10 Ca 0.16 -0.17 -0.18 0.00 -0.15 0.00 0.00 58.65 58.30 1otv h GLN 10 Cb 0.29 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1otv h GLN 10 CO -0.35 0.67 -0.79 0.00 -2.65 0.00 0.00 178.83 175.71 1otv h ALA 11 N 1.35 0.61 -0.58 3.38 0.00 -1.84 -2.84 119.26 119.33 1otv h ALA 11 Ca 0.08 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1otv h ALA 11 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1otv h ALA 11 CO 0.04 0.84 -0.03 0.35 0.00 0.00 0.00 179.25 180.45 1otv h PHE 12 N 0.15 1.15 -0.71 0.00 3.57 -0.28 -2.25 116.94 118.57 1otv h PHE 12 Ca -0.03 -0.21 0.15 0.00 3.53 0.00 0.00 57.97 61.40 1otv h PHE 12 Cb 1.38 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1otv h PHE 12 CO 0.03 1.03 0.48 1.49 -2.23 0.00 0.00 178.31 179.11 1otv h GLU 13 N 0.94 0.33 0.08 1.11 4.81 -0.81 -1.45 114.58 119.60 1otv h GLU 13 Ca 0.16 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.12 1otv h GLU 13 Cb 0.59 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1otv h GLU 13 CO 0.04 0.22 -1.14 0.93 -0.73 0.00 0.00 179.01 178.33 1otv h GLU 14 N 0.34 0.23 -0.65 1.92 4.39 -1.26 0.45 114.58 120.01 1otv h GLU 14 Ca 0.35 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1otv h GLU 14 Cb 0.87 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 1otv h GLU 14 CO -0.10 1.15 0.11 0.00 -1.16 0.00 0.00 179.01 179.01 1otv h ALA 15 N 0.70 0.86 -0.06 3.43 0.00 -0.86 -0.38 119.26 122.96 1otv h ALA 15 Ca -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1otv h ALA 15 Cb 1.85 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1otv h ALA 15 CO 0.18 0.62 0.02 -0.07 0.00 0.00 0.00 179.25 180.01 1otv h LEU 16 N 0.99 0.08 -1.81 0.00 3.38 -1.00 -2.79 115.31 114.15 1otv h LEU 16 Ca 0.20 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1otv h LEU 16 Cb 0.43 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1otv h LEU 16 CO 0.01 0.20 0.32 0.03 0.09 0.00 0.00 178.44 179.09 1otv h ARG 17 N -0.05 0.21 0.00 1.13 3.08 -0.70 -1.75 114.38 116.30 1otv h ARG 17 Ca 0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1otv h ARG 17 Cb 0.14 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1otv h ARG 17 CO -0.00 0.14 -0.10 0.00 -1.07 0.00 0.00 179.97 178.94 1otv h ALA 18 N 1.76 1.40 0.00 0.04 0.00 -0.78 -1.99 119.26 119.69 1otv h ALA 18 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1otv h ALA 18 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1otv h ALA 18 CO -0.04 0.12 0.00 0.87 0.00 0.00 0.00 179.25 180.21 1otv h LYS 19 N 0.00 0.00 0.00 0.00 1.79 -1.35 -2.54 116.57 114.46 1otv h LYS 19 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1otv h LYS 19 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1otv h LYS 19 CO 0.01 0.00 0.09 0.41 -1.08 0.00 0.00 179.45 178.88 1otv n GLY 20 N -0.51 -0.67 0.26 3.86 0.00 -0.75 -1.07 105.19 106.30 1otv n GLY 20 Ca -0.01 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1otv n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1otv h ASP 21 N 0.00 0.00 -0.34 1.61 3.32 -1.68 -1.83 116.42 117.51 1otv h ASP 21 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1otv h ASP 21 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1otv h ASP 21 CO 0.00 0.13 0.00 0.49 -1.72 0.00 0.00 179.24 178.14 1otv n PHE 22 N -3.75 0.44 -1.35 4.55 0.99 -0.23 -4.91 117.46 113.19 1otv n PHE 22 Ca -0.02 -0.22 -0.33 0.00 -0.00 0.00 0.00 57.45 56.88 1otv n PHE 22 Cb 0.24 0.00 0.10 0.00 -1.00 0.00 0.00 39.48 38.81 1otv n PHE 22 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 1otv s TYR 23 N -1.56 2.10 -1.45 1.38 5.04 -0.69 -4.87 117.35 117.31 1otv s TYR 23 Ca 0.33 1.62 0.19 0.00 -2.44 0.00 0.00 57.07 56.77 1otv s TYR 23 Cb 0.18 -3.38 0.97 0.00 0.35 0.00 0.00 41.96 40.08 1otv s TYR 23 CO 0.25 -2.45 1.58 -2.39 -1.34 0.00 0.00 175.55 171.21 1otv n HIS 24 N -2.97 0.00 0.39 4.97 1.44 -1.26 -1.83 115.22 115.95 1otv n HIS 24 Ca 0.12 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.96 1otv n HIS 24 Cb 0.51 -0.28 0.52 0.00 0.12 0.00 0.00 29.99 30.86 1otv n HIS 24 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 1otv h ILE 25 N 0.00 0.00 -0.21 0.61 3.07 -1.95 -2.14 117.51 116.89 1otv h ILE 25 Ca 0.00 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.11 1otv h ILE 25 Cb 0.17 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 37.82 1otv h ILE 25 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 1otv n HIS 26 N -2.39 0.27 -2.83 0.16 8.25 -0.76 -4.44 115.22 113.48 1otv n HIS 26 Ca 0.02 -0.14 -0.40 0.00 -0.26 0.00 0.00 57.72 56.94 1otv n HIS 26 Cb 0.26 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 1otv n HIS 26 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1otv s HIS 27 N -1.73 3.85 0.36 4.41 5.04 -0.81 -4.93 115.29 121.49 1otv s HIS 27 Ca 0.32 1.73 0.14 0.00 -1.54 0.00 0.00 55.06 55.71 1otv s HIS 27 Cb 0.18 -2.94 0.99 0.00 0.04 0.00 0.00 32.58 30.84 1otv s HIS 27 CO 0.26 0.32 1.75 -1.35 -2.34 0.00 0.00 174.74 173.38 1otv h PRO 28 N 5.09 0.48 -0.40 2.88 0.11 -1.91 -0.99 132.00 137.26 1otv h PRO 28 Ca -0.44 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1otv h PRO 28 Cb 1.21 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1otv h PRO 28 CO 0.70 0.32 0.09 -0.92 -0.21 0.00 0.00 178.00 177.98 1otv h TYR 29 N 0.50 0.68 -0.62 0.65 3.20 -1.92 0.56 116.97 120.01 1otv h TYR 29 Ca 0.62 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.38 1otv h TYR 29 Cb 1.35 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 1otv h TYR 29 CO -0.00 0.66 0.28 1.25 -1.64 0.00 0.00 178.16 178.71 1otv h HIS 30 N 0.51 0.90 -0.10 -3.82 2.76 -1.50 -2.13 115.15 111.76 1otv h HIS 30 Ca 0.13 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1otv h HIS 30 Cb 0.32 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 1otv h HIS 30 CO 0.02 0.69 0.05 0.82 -1.30 0.00 0.00 177.93 178.22 1otv h ILE 31 N 0.85 1.10 -0.80 6.26 2.04 -0.86 -0.48 117.51 125.62 1otv h ILE 31 Ca 0.21 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.87 1otv h ILE 31 Cb 0.14 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 1otv h ILE 31 CO -0.02 0.09 0.47 0.00 0.00 0.00 0.00 178.15 178.68 1otv h ALA 32 N 0.95 1.11 -0.42 1.87 0.00 -0.83 0.45 119.26 122.38 1otv h ALA 32 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1otv h ALA 32 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1otv h ALA 32 CO -0.01 0.14 0.19 0.52 0.00 0.00 0.00 179.25 180.10 1otv h MET 33 N 0.82 0.62 -0.04 0.00 2.86 -0.83 -1.78 114.93 116.59 1otv h MET 33 Ca 0.37 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.82 1otv h MET 33 Cb 0.26 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1otv h MET 33 CO -0.21 0.55 -0.38 1.25 1.06 0.00 0.00 176.91 179.18 1otv h HIS 34 N 0.54 0.08 0.00 -0.22 6.17 -0.52 -2.92 115.15 118.28 1otv h HIS 34 Ca 0.14 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.21 1otv h HIS 34 Cb 0.15 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.06 1otv h HIS 34 CO -0.01 0.44 -0.05 0.09 0.71 0.00 0.00 177.93 179.11 1otv n ASN 35 N -4.08 0.17 0.00 3.26 3.02 0.10 -4.87 115.26 112.86 1otv n ASN 35 Ca -0.02 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1otv n ASN 35 Cb 0.42 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1otv n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1otv n GLY 36 N 1.47 0.61 1.17 7.41 0.00 -1.07 -4.95 105.19 109.83 1otv n GLY 36 Ca 0.07 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1otv n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1otv n ASP 37 N 0.12 3.53 -4.83 1.61 8.00 -0.69 -4.97 116.55 119.33 1otv n ASP 37 Ca 0.00 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.18 1otv n ASP 37 Cb 0.00 -0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 40.74 1otv n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1otv s ALA 38 N -1.37 3.14 0.82 2.24 0.00 -1.12 -4.93 121.76 120.54 1otv s ALA 38 Ca 0.40 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 1otv s ALA 38 Cb 0.23 -3.02 0.09 0.00 0.00 0.00 0.00 23.12 20.42 1otv s ALA 38 CO 0.31 0.20 1.18 0.95 0.00 0.00 0.00 175.76 178.41 1otv s THR 39 N -2.10 2.01 0.22 0.00 -4.23 -1.26 -4.93 115.64 105.35 1otv s THR 39 Ca 0.59 -0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.04 1otv s THR 39 Cb -0.10 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.84 1otv s THR 39 CO 0.15 0.00 1.71 -0.09 -0.54 0.00 0.00 174.62 175.85 1otv h ARG 40 N -1.08 0.96 -0.76 3.99 2.43 -1.99 -1.35 114.38 116.58 1otv h ARG 40 Ca -0.46 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.41 1otv h ARG 40 Cb 1.32 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 1otv h ARG 40 CO 0.64 0.93 0.37 -0.22 -1.51 0.00 0.00 179.97 180.18 1otv h LYS 41 N 0.89 1.09 -0.28 0.20 3.64 -1.96 0.50 116.57 120.65 1otv h LYS 41 Ca 0.17 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 1otv h LYS 41 Cb 0.48 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1otv h LYS 41 CO 0.02 0.83 -0.39 1.96 -2.27 0.00 0.00 179.45 179.61 1otv h GLN 42 N 1.08 0.65 -0.06 1.90 4.20 -1.71 0.05 115.11 121.22 1otv h GLN 42 Ca 0.26 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1otv h GLN 42 Cb 0.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.89 1otv h GLN 42 CO -0.03 0.93 -0.39 0.82 -0.67 0.00 0.00 178.83 179.48 1otv h ILE 43 N 0.54 1.43 -0.74 2.54 2.04 -1.00 -0.47 117.51 121.84 1otv h ILE 43 Ca 0.05 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 1otv h ILE 43 Cb 0.90 2.40 -0.04 0.00 -0.74 0.00 0.00 36.82 39.35 1otv h ILE 43 CO 0.08 0.53 0.42 1.56 0.00 0.00 0.00 178.15 180.73 1otv h GLN 44 N -0.13 1.03 -0.55 2.37 4.20 -0.84 -0.80 115.11 120.38 1otv h GLN 44 Ca -0.03 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 1otv h GLN 44 Cb 1.07 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1otv h GLN 44 CO 0.08 0.76 -0.08 0.78 -0.67 0.00 0.00 178.83 179.70 1otv h GLY 45 N 1.03 1.09 0.95 3.46 0.00 -0.97 -1.83 103.07 106.80 1otv h GLY 45 Ca 0.26 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1otv h GLY 45 CO -0.04 0.78 -0.01 -0.25 0.00 0.00 0.00 176.54 177.01 1otv h TRP 46 N 0.91 -0.03 -0.65 5.60 7.01 -0.88 -1.44 115.95 126.46 1otv h TRP 46 Ca 0.15 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1otv h TRP 46 Cb 0.63 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.67 1otv h TRP 46 CO 0.04 0.03 0.38 0.28 -2.79 0.00 0.00 178.44 176.38 1otv h VAL 47 N -0.09 1.20 -0.58 2.65 2.07 -0.91 0.11 116.25 120.71 1otv h VAL 47 Ca -0.00 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1otv h VAL 47 Cb 0.08 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1otv h VAL 47 CO 0.01 0.21 0.13 0.00 0.02 0.00 0.00 177.57 177.93 1otv h ALA 48 N 1.19 0.76 0.04 1.67 0.00 -1.30 -0.76 119.26 120.86 1otv h ALA 48 Ca 0.23 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1otv h ALA 48 Cb 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.59 1otv h ALA 48 CO -0.04 0.48 -0.89 -0.91 0.00 0.00 0.00 179.25 177.89 1otv h ASN 49 N 0.83 0.72 -0.19 0.00 2.35 -1.12 -3.19 115.58 114.98 1otv h ASN 49 Ca 0.18 -0.78 -0.01 0.00 -0.55 0.00 0.00 56.30 55.14 1otv h ASN 49 Cb 0.36 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1otv h ASN 49 CO 0.00 1.42 0.10 -0.09 -1.65 0.00 0.00 177.43 177.20 1otv h ARG 50 N 0.10 0.30 -0.17 0.81 9.65 -0.77 -1.85 114.38 122.45 1otv h ARG 50 Ca -0.12 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.71 1otv h ARG 50 Cb 1.58 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 30.09 1otv h ARG 50 CO 0.17 0.25 0.01 0.35 2.80 0.00 0.00 179.97 183.55 1otv h PHE 51 N 0.31 0.25 -0.66 2.20 3.57 -1.12 -0.87 116.94 120.61 1otv h PHE 51 Ca 0.08 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1otv h PHE 51 Cb 0.06 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1otv h PHE 51 CO 0.00 0.26 0.25 -0.92 -2.23 0.00 0.00 178.31 175.66 1otv h TYR 52 N 0.25 1.03 -0.09 0.41 3.20 -1.34 -0.82 116.97 119.61 1otv h TYR 52 Ca 0.06 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1otv h TYR 52 Cb 0.16 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1otv h TYR 52 CO 0.00 0.81 0.05 -0.92 -1.64 0.00 0.00 178.16 176.46 1otv h TYR 53 N 0.94 0.13 -0.85 -3.82 3.20 -1.37 -2.78 116.97 112.42 1otv h TYR 53 Ca 0.22 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1otv h TYR 53 Cb 0.24 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1otv h TYR 53 CO 0.02 0.18 0.51 1.96 -1.64 0.00 0.00 178.16 179.19 1otv h GLN 54 N 0.03 1.16 0.00 1.82 1.08 -0.77 -1.61 115.11 116.82 1otv h GLN 54 Ca 0.03 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1otv h GLN 54 Cb 0.10 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 1otv h GLN 54 CO -0.00 0.81 0.00 0.25 -0.95 0.00 0.00 178.83 178.94 1otv n THR 55 N -4.43 0.83 -0.01 -0.54 -2.24 -0.35 -2.89 114.28 104.66 1otv n THR 55 Ca 0.09 0.20 0.01 0.00 -2.27 0.00 0.00 64.05 62.08 1otv n THR 55 Cb 0.06 -0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 67.24 1otv n THR 55 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1otv n THR 56 N -1.55 0.90 -0.23 4.28 -1.04 -0.66 -4.35 114.28 111.63 1otv n THR 56 Ca 0.04 -0.68 0.01 0.00 -2.04 0.00 0.00 64.05 61.38 1otv n THR 56 Cb 0.20 -0.45 0.13 0.00 -1.82 0.00 0.00 70.33 68.39 1otv n THR 56 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1otv h ILE 57 N 0.00 0.82 -0.53 12.58 2.04 -1.29 -0.56 117.51 130.57 1otv h ILE 57 Ca -0.21 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1otv h ILE 57 Cb 1.57 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1otv h ILE 57 CO 0.03 0.10 0.24 -0.65 0.00 0.00 0.00 178.15 177.86 1otv h PRO 58 N 0.54 0.75 -0.44 2.37 0.11 -1.76 0.72 132.00 134.29 1otv h PRO 58 Ca 0.34 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 1otv h PRO 58 Cb 0.38 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1otv h PRO 58 CO -0.28 0.60 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.99 1otv h LEU 59 N 0.75 0.80 -0.60 2.35 3.38 -1.43 -1.03 115.31 119.53 1otv h LEU 59 Ca 0.18 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1otv h LEU 59 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1otv h LEU 59 CO -0.02 0.95 -0.22 0.50 0.09 0.00 0.00 178.44 179.74 1otv h LYS 60 N 0.64 0.88 -0.19 1.13 3.11 -0.76 -0.83 116.57 120.54 1otv h LYS 60 Ca 0.12 -0.36 -0.12 0.00 -2.81 0.00 0.00 60.65 57.48 1otv h LYS 60 Cb 0.57 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1otv h LYS 60 CO 0.03 1.01 -0.38 -0.44 -2.81 0.00 0.00 179.45 176.86 1otv h ASP 61 N 0.76 0.45 -0.01 4.20 3.45 -0.80 -1.97 116.42 122.49 1otv h ASP 61 Ca 0.10 -0.19 -0.13 0.00 0.43 0.00 0.00 57.03 57.24 1otv h ASP 61 Cb 0.76 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 1otv h ASP 61 CO 0.06 0.79 -0.41 0.00 -1.57 0.00 0.00 179.24 178.12 1otv h ALA 62 N 1.23 0.87 -0.74 3.45 0.00 -0.92 -2.24 119.26 120.92 1otv h ALA 62 Ca 0.04 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1otv h ALA 62 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1otv h ALA 62 CO 0.07 0.64 0.24 0.00 0.00 0.00 0.00 179.25 180.20 1otv h ALA 63 N 1.12 0.96 0.12 0.00 0.00 -0.87 -0.10 119.26 120.49 1otv h ALA 63 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1otv h ALA 63 Cb 0.90 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1otv h ALA 63 CO 0.08 0.63 -0.15 0.82 0.00 0.00 0.00 179.25 180.63 1otv h ILE 64 N 1.08 0.66 -0.91 0.00 2.04 -1.23 -2.89 117.51 116.27 1otv h ILE 64 Ca 0.24 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.19 1otv h ILE 64 Cb 0.29 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1otv h ILE 64 CO -0.01 0.00 0.56 0.24 0.00 0.00 0.00 178.15 178.94 1otv h MET 65 N -0.31 0.92 0.00 2.37 2.86 -1.11 -1.29 114.93 118.37 1otv h MET 65 Ca 0.01 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1otv h MET 65 Cb 0.31 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1otv h MET 65 CO -0.06 0.61 -0.00 0.00 1.06 0.00 0.00 176.91 178.52 1otv h ALA 66 N 1.46 1.03 -0.49 6.32 0.00 -0.82 -2.28 119.26 124.49 1otv h ALA 66 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1otv h ALA 66 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1otv h ALA 66 CO -0.22 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.12 1otv n ASN 67 N -3.13 3.44 -4.06 0.00 3.02 -0.52 -4.91 115.26 109.10 1otv n ASN 67 Ca -0.02 -1.96 -0.32 0.00 -0.03 0.00 0.00 54.58 52.24 1otv n ASN 67 Cb 0.11 -0.32 -0.15 0.00 -0.61 0.00 0.00 39.78 38.81 1otv n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1otv n PRO 69 N 4.37 1.09 -3.42 0.00 -0.04 -1.26 -4.74 135.00 130.99 1otv n PRO 69 Ca -0.03 -0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 62.87 1otv n PRO 69 Cb 0.42 -1.12 -0.09 0.00 -0.04 0.00 0.00 33.50 32.67 1otv n PRO 69 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1otv s ASP 70 N -1.19 6.13 0.34 3.54 2.15 -1.26 -4.97 116.67 121.41 1otv s ASP 70 Ca 0.11 -0.90 0.08 0.00 0.43 0.00 0.00 52.55 52.26 1otv s ASP 70 Cb 0.05 -2.18 0.77 0.00 -0.30 0.00 0.00 42.92 41.27 1otv s ASP 70 CO 0.08 -0.51 1.87 0.00 -0.17 0.00 0.00 175.17 176.45 1otv h ALA 71 N 8.67 1.78 -0.32 3.66 0.00 -1.99 -1.75 119.26 129.31 1otv h ALA 71 Ca -0.27 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1otv h ALA 71 Cb 1.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1otv h ALA 71 CO 0.76 -0.01 -0.05 0.37 0.00 0.00 0.00 179.25 180.33 1otv h GLN 72 N 0.74 0.59 -0.32 0.00 4.15 -1.98 -1.13 115.11 117.16 1otv h GLN 72 Ca 0.45 -0.21 0.01 0.00 0.77 0.00 0.00 58.65 59.67 1otv h GLN 72 Cb 0.66 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1otv h GLN 72 CO -0.21 0.76 0.19 1.15 -1.93 0.00 0.00 178.83 178.78 1otv h THR 73 N 0.38 1.03 -0.12 2.39 2.02 -1.89 -2.98 112.91 113.73 1otv h THR 73 Ca 0.08 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1otv h THR 73 Cb 0.52 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1otv h THR 73 CO 0.03 0.07 -0.04 0.03 0.37 0.00 0.00 175.52 175.98 1otv h ARG 74 N 0.38 0.18 -0.11 6.66 3.08 -0.84 0.86 114.38 124.59 1otv h ARG 74 Ca 0.13 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 1otv h ARG 74 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1otv h ARG 74 CO -0.06 0.23 -0.50 0.00 -1.07 0.00 0.00 179.97 178.57 1otv h ARG 75 N 0.18 0.28 0.03 0.04 3.08 -1.07 -1.68 114.38 115.23 1otv h ARG 75 Ca 0.04 -0.16 -0.21 0.00 0.07 0.00 0.00 59.98 59.72 1otv h ARG 75 Cb 0.19 0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.27 1otv h ARG 75 CO 0.01 0.72 -0.85 0.87 -1.07 0.00 0.00 179.97 179.65 1otv h LYS 76 N 0.23 0.53 -0.39 0.04 1.57 -1.31 -3.36 116.57 113.86 1otv h LYS 76 Ca 0.01 -0.60 -0.02 0.00 -1.87 0.00 0.00 60.65 58.16 1otv h LYS 76 Cb 0.97 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1otv h LYS 76 CO 0.08 1.23 0.15 2.35 -0.57 0.00 0.00 179.45 182.69 1otv h TRP 77 N 0.08 0.55 0.00 -1.35 2.91 -0.70 -2.71 115.95 114.73 1otv h TRP 77 Ca -0.11 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.89 1otv h TRP 77 Cb 1.55 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 30.02 1otv h TRP 77 CO 0.13 0.44 0.00 -0.24 -1.03 0.00 0.00 178.44 177.74 1otv h VAL 78 N 0.55 0.00 0.00 2.65 3.04 -1.45 -1.78 116.25 119.26 1otv h VAL 78 Ca 0.14 -0.34 -0.05 0.00 -1.01 0.00 0.00 66.70 65.44 1otv h VAL 78 Cb 0.12 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 1otv h VAL 78 CO -0.01 0.00 -0.25 -0.61 -1.01 0.00 0.00 177.57 175.69 1otv h GLN 79 N 0.00 0.00 -0.82 4.17 5.75 -1.67 -1.60 115.11 120.94 1otv h GLN 79 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1otv h GLN 79 Cb 0.42 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1otv h GLN 79 CO 0.00 0.25 0.49 0.00 -2.65 0.00 0.00 178.83 176.92 1otv h ARG 80 N 0.00 1.11 -0.29 1.69 3.08 -1.49 0.19 114.38 118.67 1otv h ARG 80 Ca -0.00 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1otv h ARG 80 Cb 0.63 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1otv h ARG 80 CO 0.03 0.79 -0.00 0.82 -1.07 0.00 0.00 179.97 180.54 1otv h ILE 81 N 1.13 1.26 -0.99 2.04 2.04 -1.44 -2.15 117.51 119.39 1otv h ILE 81 Ca 0.29 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1otv h ILE 81 Cb -0.04 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1otv h ILE 81 CO -0.05 0.30 0.66 -0.07 0.00 0.00 0.00 178.15 178.98 1otv h LEU 82 N 0.31 1.13 -0.27 1.44 3.38 -1.25 -0.52 115.31 119.53 1otv h LEU 82 Ca 0.08 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1otv h LEU 82 Cb 0.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1otv h LEU 82 CO 0.02 0.81 0.13 0.44 0.09 0.00 0.00 178.44 179.93 1otv h ASP 83 N 1.33 0.19 -0.13 -0.43 3.32 -0.38 -0.60 116.42 119.72 1otv h ASP 83 Ca 0.37 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.25 1otv h ASP 83 Cb -0.13 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.40 1otv h ASP 83 CO -0.09 0.15 -0.64 0.45 -1.72 0.00 0.00 179.24 177.39 1otv h HIS 84 N 0.28 0.90 0.00 4.55 3.86 -1.17 -0.50 115.15 123.07 1otv h HIS 84 Ca 0.11 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1otv h HIS 84 Cb 0.04 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1otv h HIS 84 CO -0.10 1.20 -1.08 -0.25 0.86 0.00 0.00 177.93 178.56 1otv n ASP 85 N -4.08 0.60 0.00 2.45 8.00 -0.22 -1.86 116.55 121.43 1otv n ASP 85 Ca -0.08 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1otv n ASP 85 Cb 0.67 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.59 1otv n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1otv n GLY 86 N 1.34 -1.37 3.20 0.44 0.00 -0.24 -4.60 105.19 103.97 1otv n GLY 86 Ca 0.01 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 1otv n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1otv s SER 87 N -2.62 0.22 -1.42 1.61 1.04 -1.21 -4.79 113.70 106.53 1otv s SER 87 Ca 0.00 -1.16 -0.14 0.00 0.48 0.00 0.00 55.95 55.13 1otv s SER 87 Cb 0.00 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1otv s SER 87 CO 0.00 -0.79 0.28 1.41 0.98 0.00 0.00 173.24 175.12 1otv n HIS 88 N -0.15 -1.31 0.00 5.02 8.25 -1.26 -0.63 115.22 125.14 1otv n HIS 88 Ca -0.05 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1otv n HIS 88 Cb 0.64 -2.80 0.00 0.00 1.12 0.00 0.00 29.99 28.94 1otv n HIS 88 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1otv n GLY 89 N -2.39 1.58 3.54 -1.41 0.00 -1.26 -4.98 105.19 100.27 1otv n GLY 89 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1otv n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1otv s GLU 90 N 0.00 -0.52 -0.19 1.61 0.41 0.20 -5.01 118.70 115.19 1otv s GLU 90 Ca 0.00 0.80 -0.23 0.00 -0.41 0.00 0.00 54.97 55.12 1otv s GLU 90 Cb 0.00 -1.60 -0.21 0.00 -1.78 0.00 0.00 34.13 30.54 1otv s GLU 90 CO 0.00 -3.45 0.36 -0.44 -0.49 0.00 0.00 175.26 171.25 1otv h ASP 91 N -2.42 0.00 -4.46 -0.19 3.45 -1.90 -3.21 116.42 107.69 1otv h ASP 91 Ca -0.59 -0.63 0.00 0.00 0.43 0.00 0.00 57.03 56.23 1otv h ASP 91 Cb 1.33 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.10 1otv h ASP 91 CO 0.52 1.34 0.00 0.61 -1.57 0.00 0.00 179.24 180.14 1otv n GLY 92 N 1.49 -0.39 0.23 2.75 0.00 -1.26 -3.89 105.19 104.12 1otv n GLY 92 Ca -0.25 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.10 1otv n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1otv h GLY 93 N 0.00 0.19 1.08 -0.02 0.00 -0.94 -1.93 103.07 101.45 1otv h GLY 93 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1otv h GLY 93 CO 0.00 0.11 0.38 -2.22 0.00 0.00 0.00 176.54 174.81 1otv h ILE 94 N 0.17 1.26 0.00 2.60 2.04 -1.63 -1.24 117.51 120.70 1otv h ILE 94 Ca 0.03 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1otv h ILE 94 Cb 0.41 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1otv h ILE 94 CO 0.03 0.31 -0.24 -0.08 0.00 0.00 0.00 178.15 178.17 1otv h GLU 95 N 1.17 0.00 -0.50 2.37 4.57 -1.54 -2.03 114.58 118.62 1otv h GLU 95 Ca 0.28 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.36 1otv h GLU 95 Cb 0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1otv h GLU 95 CO -0.03 0.24 -0.07 0.00 -1.18 0.00 0.00 179.01 177.96 1otv h ALA 96 N 1.76 0.94 -0.42 2.92 0.00 -1.10 -1.71 119.26 121.65 1otv h ALA 96 Ca -0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1otv h ALA 96 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1otv h ALA 96 CO 0.03 0.63 -0.31 -1.49 0.00 0.00 0.00 179.25 178.11 1otv h TRP 97 N 0.80 1.10 -0.88 0.00 4.06 -0.90 -1.51 115.95 118.61 1otv h TRP 97 Ca 0.14 -0.30 -0.00 0.00 2.06 0.00 0.00 58.89 60.79 1otv h TRP 97 Cb 0.58 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.46 1otv h TRP 97 CO 0.03 1.12 0.55 -0.07 -3.56 0.00 0.00 178.44 176.51 1otv h LEU 98 N 0.78 1.05 -0.82 -4.49 3.38 -1.17 -0.68 115.31 113.36 1otv h LEU 98 Ca 0.08 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1otv h LEU 98 Cb 0.89 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1otv h LEU 98 CO 0.08 0.79 0.09 0.03 0.09 0.00 0.00 178.44 179.52 1otv h ARG 99 N 1.21 0.97 -0.70 1.13 2.47 -1.08 -1.43 114.38 116.96 1otv h ARG 99 Ca 0.32 -0.25 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1otv h ARG 99 Cb -0.08 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 1otv h ARG 99 CO -0.06 0.91 0.29 1.25 0.56 0.00 0.00 179.97 182.91 1otv h LEU 100 N 0.92 0.97 -0.25 3.04 5.85 -0.66 0.05 115.31 125.23 1otv h LEU 100 Ca 0.18 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1otv h LEU 100 Cb 0.41 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1otv h LEU 100 CO 0.01 0.87 0.14 1.23 -0.34 0.00 0.00 178.44 180.35 1otv h GLY 101 N 1.00 0.33 0.73 3.75 0.00 -0.84 -1.57 103.07 106.47 1otv h GLY 101 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.50 1otv h GLY 101 CO -0.02 0.10 0.24 0.83 0.00 0.00 0.00 176.54 177.68 1otv h GLU 102 N 0.29 0.45 -0.12 4.80 5.08 -1.04 0.87 114.58 124.91 1otv h GLU 102 Ca 0.10 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1otv h GLU 102 Cb -0.00 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1otv h GLU 102 CO -0.05 0.30 0.09 0.00 -1.00 0.00 0.00 179.01 178.35 1otv h ALA 103 N 1.26 2.08 -0.54 3.43 0.00 -0.40 -1.30 119.26 123.79 1otv h ALA 103 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1otv h ALA 103 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1otv h ALA 103 CO -0.16 -0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.27 1otv n VAL 104 N -4.45 0.71 0.00 0.00 0.24 -0.65 -1.10 118.33 113.08 1otv n VAL 104 Ca -0.00 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 1otv n VAL 104 Cb 0.21 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1otv n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1otv n GLY 105 N 1.57 0.90 3.89 7.63 0.00 -0.49 -4.82 105.19 113.86 1otv n GLY 105 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1otv n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1otv s LEU 106 N 0.00 4.26 0.45 0.99 1.43 0.22 -4.98 118.68 121.06 1otv s LEU 106 Ca 0.00 0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1otv s LEU 106 Cb 0.00 -3.32 -0.07 0.00 0.03 0.00 0.00 46.19 42.83 1otv s LEU 106 CO 0.00 0.05 0.85 -0.94 0.23 0.00 0.00 176.35 176.54 1otv s SER 107 N -2.27 6.54 0.29 2.29 1.04 -1.26 -3.16 113.70 117.17 1otv s SER 107 Ca 0.41 1.29 0.03 0.00 0.48 0.00 0.00 55.95 58.16 1otv s SER 107 Cb -0.12 -2.39 0.67 0.00 0.10 0.00 0.00 66.02 64.28 1otv s SER 107 CO 0.22 -0.48 1.76 0.03 0.98 0.00 0.00 173.24 175.75 1otv h ARG 108 N 1.07 0.66 -0.41 4.02 3.08 -1.95 -0.14 114.38 120.70 1otv h ARG 108 Ca -0.47 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.48 1otv h ARG 108 Cb 1.19 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1otv h ARG 108 CO 0.63 0.43 0.00 0.22 -1.07 0.00 0.00 179.97 180.18 1otv h ASP 109 N 0.68 0.62 -0.58 7.04 3.58 -1.98 -0.17 116.42 125.61 1otv h ASP 109 Ca 0.54 -0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.93 1otv h ASP 109 Cb 0.84 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.67 1otv h ASP 109 CO -0.39 0.69 0.27 0.44 -2.88 0.00 0.00 179.24 177.36 1otv h ASP 110 N 0.62 0.34 0.01 2.28 3.32 -1.40 -1.11 116.42 120.48 1otv h ASP 110 Ca 0.13 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1otv h ASP 110 Cb 0.39 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1otv h ASP 110 CO 0.01 0.22 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.68 1otv h LEU 111 N 0.50 -0.01 -0.96 1.55 4.07 -1.09 -3.27 115.31 116.09 1otv h LEU 111 Ca 0.27 -0.70 -0.10 0.00 0.08 0.00 0.00 57.88 57.43 1otv h LEU 111 Cb 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1otv h LEU 111 CO -0.22 0.70 -0.32 -0.07 -1.08 0.00 0.00 178.44 177.45 1otv h LEU 112 N -0.73 0.37 -1.15 1.67 3.38 -1.00 -1.59 115.31 116.27 1otv h LEU 112 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1otv h LEU 112 Cb 0.71 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1otv h LEU 112 CO 0.00 0.68 0.00 0.77 0.09 0.00 0.00 178.44 179.98 1otv h SER 113 N 0.32 0.00 -0.50 -0.43 4.64 -1.30 -3.46 113.55 112.82 1otv h SER 113 Ca 0.04 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.15 1otv h SER 113 Cb 0.72 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.72 1otv h SER 113 CO 0.05 0.00 -0.19 -0.62 -0.87 0.00 0.00 176.83 175.20 1otv n GLU 114 N -2.90 -1.64 0.26 4.77 1.02 -0.60 -4.86 120.64 116.68 1otv n GLU 114 Ca 0.01 0.86 0.12 0.00 -0.02 0.00 0.00 57.16 58.13 1otv n GLU 114 Cb 0.31 -5.24 0.68 0.00 -0.02 0.00 0.00 31.44 27.17 1otv n GLU 114 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1otv h ARG 115 N 0.02 0.00 -0.02 3.49 0.11 -1.84 -2.79 114.38 113.35 1otv h ARG 115 Ca -0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1otv h ARG 115 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1otv h ARG 115 CO 0.31 0.14 0.00 0.72 0.10 0.00 0.00 179.97 181.24 1otv n HIS 116 N -3.64 0.01 -2.16 4.08 8.25 -1.26 -4.90 115.22 115.58 1otv n HIS 116 Ca -0.02 -0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1otv n HIS 116 Cb 0.26 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 1otv n HIS 116 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1otv s VAL 117 N -1.99 3.58 0.35 1.59 1.01 -1.06 -4.81 120.40 119.07 1otv s VAL 117 Ca 0.37 0.97 -0.27 0.00 0.00 0.00 0.00 61.98 63.05 1otv s VAL 117 Cb 0.21 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 1otv s VAL 117 CO 0.33 -0.01 1.08 -0.76 0.00 0.00 0.00 175.10 175.74 1otv s LEU 118 N 2.52 4.33 0.30 3.92 1.43 -1.26 -4.88 118.68 125.04 1otv s LEU 118 Ca 0.66 2.17 0.01 0.00 -1.03 0.00 0.00 54.13 55.94 1otv s LEU 118 Cb -0.33 -3.92 0.54 0.00 0.03 0.00 0.00 46.19 42.51 1otv s LEU 118 CO 0.27 -0.35 1.89 -0.65 0.23 0.00 0.00 176.35 177.75 1otv h PRO 119 N 3.10 0.99 -0.42 1.29 0.11 -1.93 -0.45 132.00 134.68 1otv h PRO 119 Ca -0.48 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1otv h PRO 119 Cb 1.22 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1otv h PRO 119 CO 0.64 0.65 0.10 0.78 -0.21 0.00 0.00 178.00 179.96 1otv h GLY 120 N 1.02 0.67 0.79 -0.55 0.00 -1.95 0.25 103.07 103.30 1otv h GLY 120 Ca 0.41 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 1otv h GLY 120 CO -0.17 0.34 -0.11 -2.08 0.00 0.00 0.00 176.54 174.52 1otv h VAL 121 N 0.61 1.32 -0.69 4.60 2.07 -1.50 -2.95 116.25 119.71 1otv h VAL 121 Ca 0.14 -1.19 0.09 0.00 0.82 0.00 0.00 66.70 66.56 1otv h VAL 121 Cb 0.24 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1otv h VAL 121 CO -0.00 0.36 0.34 -0.09 0.02 0.00 0.00 177.57 178.19 1otv h ARG 122 N 0.08 0.57 -0.24 1.57 2.43 -0.72 0.16 114.38 118.23 1otv h ARG 122 Ca 0.04 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1otv h ARG 122 Cb 0.61 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1otv h ARG 122 CO 0.03 0.38 -0.41 0.74 -1.51 0.00 0.00 179.97 179.20 1otv h PHE 123 N 0.58 0.68 -0.12 2.20 0.05 -1.01 0.29 116.94 119.62 1otv h PHE 123 Ca 0.34 -0.20 -0.10 0.00 3.82 0.00 0.00 57.97 61.83 1otv h PHE 123 Cb 0.35 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 38.15 1otv h PHE 123 CO -0.11 0.89 -0.30 0.00 -0.18 0.00 0.00 178.31 178.61 1otv h ALA 124 N 1.08 0.20 -0.73 2.45 0.00 -1.29 -1.88 119.26 119.09 1otv h ALA 124 Ca 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1otv h ALA 124 Cb 0.91 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1otv h ALA 124 CO 0.08 0.22 0.36 0.28 0.00 0.00 0.00 179.25 180.19 1otv h VAL 125 N 0.00 1.24 -0.14 0.00 2.07 -0.93 -2.69 116.25 115.79 1otv h VAL 125 Ca -0.00 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1otv h VAL 125 Cb 0.90 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1otv h VAL 125 CO 0.06 0.28 -0.29 0.44 0.02 0.00 0.00 177.57 178.08 1otv h ASP 126 N 1.03 0.27 -0.41 0.57 3.32 -0.93 -1.81 116.42 118.45 1otv h ASP 126 Ca 0.25 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1otv h ASP 126 Cb 0.11 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1otv h ASP 126 CO -0.03 0.56 0.27 0.00 -1.72 0.00 0.00 179.24 178.32 1otv h ALA 127 N 1.47 1.86 -0.06 3.45 0.00 -1.01 0.14 119.26 125.10 1otv h ALA 127 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1otv h ALA 127 Cb 0.64 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1otv h ALA 127 CO 0.05 0.09 -0.00 -0.92 0.00 0.00 0.00 179.25 178.47 1otv h TYR 128 N 0.42 0.12 -0.70 0.00 3.20 -1.19 -1.20 116.97 117.63 1otv h TYR 128 Ca 0.17 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1otv h TYR 128 Cb 0.14 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1otv h TYR 128 CO -0.00 0.39 0.17 1.25 -1.64 0.00 0.00 178.16 178.33 1otv h LEU 129 N -0.19 1.06 -0.59 2.82 5.85 -1.17 -1.88 115.31 121.21 1otv h LEU 129 Ca 0.02 -0.23 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 1otv h LEU 129 Cb 0.35 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1otv h LEU 129 CO 0.00 1.02 -0.59 0.78 -0.34 0.00 0.00 178.44 179.32 1otv h ASN 130 N 1.05 0.42 -0.20 1.25 2.35 -0.71 -1.50 115.58 118.24 1otv h ASN 130 Ca 0.22 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1otv h ASN 130 Cb 0.37 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1otv h ASN 130 CO 0.00 0.91 0.06 0.15 -1.65 0.00 0.00 177.43 176.90 1otv h PHE 131 N 0.28 0.10 -0.02 1.19 3.57 -1.02 -2.60 116.94 118.44 1otv h PHE 131 Ca -0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1otv h PHE 131 Cb 1.11 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 1otv h PHE 131 CO 0.03 0.05 -0.10 0.00 -2.23 0.00 0.00 178.31 176.06 1otv h ALA 132 N 1.13 1.80 -0.10 2.41 0.00 -1.10 0.12 119.26 123.51 1otv h ALA 132 Ca 0.09 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1otv h ALA 132 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1otv h ALA 132 CO -0.10 0.15 -0.62 0.00 0.00 0.00 0.00 179.25 178.69 1otv h ARG 133 N 0.04 0.36 0.00 0.00 3.08 -1.03 -3.38 114.38 113.45 1otv h ARG 133 Ca 0.01 -0.25 -0.30 0.00 0.07 0.00 0.00 59.98 59.51 1otv h ARG 133 Cb 0.19 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1otv h ARG 133 CO 0.01 0.86 -2.14 0.54 -1.07 0.00 0.00 179.97 178.18 1otv n ARG 134 N -3.89 1.15 -2.07 0.04 5.12 -0.91 -5.00 116.66 111.11 1otv n ARG 134 Ca -0.03 0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.58 1otv n ARG 134 Cb 0.63 -1.42 0.01 0.00 -1.16 0.00 0.00 32.46 30.52 1otv n ARG 134 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1otv s ALA 135 N -2.40 2.77 0.68 7.54 0.00 0.36 -5.00 121.76 125.70 1otv s ALA 135 Ca -0.13 0.36 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 1otv s ALA 135 Cb 0.05 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1otv s ALA 135 CO 0.63 -0.76 1.27 0.00 0.00 0.00 0.00 175.76 176.90 1otv h TRP 137 N 0.27 0.38 -0.23 0.00 5.08 -1.88 -2.17 115.95 117.41 1otv h TRP 137 Ca -0.50 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.45 1otv h TRP 137 Cb 1.33 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.36 1otv h TRP 137 CO 0.42 0.34 0.11 1.96 -1.28 0.00 0.00 178.44 179.98 1otv h GLN 138 N 0.39 0.32 -0.51 0.12 7.50 -1.93 -0.58 115.11 120.41 1otv h GLN 138 Ca 0.09 -0.05 -0.09 0.00 0.50 0.00 0.00 58.65 59.11 1otv h GLN 138 Cb 0.14 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 1otv h GLN 138 CO -0.01 0.34 -0.04 0.93 -1.50 0.00 0.00 178.83 178.55 1otv h GLU 139 N 0.23 0.90 -0.29 1.46 5.08 -1.82 -1.93 114.58 118.22 1otv h GLU 139 Ca 0.08 -0.28 -0.19 0.00 -1.00 0.00 0.00 59.36 57.97 1otv h GLU 139 Cb 0.12 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1otv h GLU 139 CO -0.01 0.92 -0.55 0.00 -1.00 0.00 0.00 179.01 178.38 1otv h ALA 140 N 1.12 0.45 -0.61 3.43 0.00 -1.24 -3.13 119.26 119.27 1otv h ALA 140 Ca 0.15 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1otv h ALA 140 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1otv h ALA 140 CO 0.03 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.05 1otv h ALA 141 N 0.68 1.02 0.00 0.00 0.00 -0.97 -3.10 119.26 116.88 1otv h ALA 141 Ca 0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1otv h ALA 141 Cb 1.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1otv h ALA 141 CO 0.12 0.63 -0.24 0.00 0.00 0.00 0.00 179.25 179.76 1otv h SER 143 N 0.00 0.00 0.46 0.00 4.64 -1.51 -1.14 113.55 115.99 1otv h SER 143 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1otv h SER 143 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1otv h SER 143 CO 0.03 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.45 1otv n SER 144 N -2.65 0.00 0.00 4.97 3.41 -0.70 -3.47 113.62 115.18 1otv n SER 144 Ca -0.01 0.14 0.05 0.00 -0.26 0.00 0.00 58.87 58.79 1otv n SER 144 Cb 0.13 -0.34 0.25 0.00 -0.26 0.00 0.00 64.21 63.99 1otv n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1otv n LEU 145 N -1.34 0.00 0.21 1.04 -0.00 -0.43 -2.51 117.00 113.97 1otv n LEU 145 Ca 0.08 0.36 0.15 0.00 -0.00 0.00 0.00 56.01 56.60 1otv n LEU 145 Cb 0.18 -0.36 0.73 0.00 -0.00 0.00 0.00 43.42 43.96 1otv n LEU 145 CO 0.16 -0.23 0.94 0.71 -0.00 0.00 0.00 177.39 178.97 1otv h THR 146 N 0.00 0.00 0.00 1.47 1.35 -1.83 -0.92 112.91 112.98 1otv h THR 146 Ca 0.00 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 1otv h THR 146 Cb 0.13 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1otv h THR 146 CO 0.00 0.00 -0.03 -0.33 -0.25 0.00 0.00 175.52 174.91 1otv h GLU 147 N 0.00 0.00 0.00 4.72 5.08 -1.80 -0.54 114.58 122.04 1otv h GLU 147 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1otv h GLU 147 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1otv h GLU 147 CO 0.00 0.03 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.97 1otv h LEU 148 N 0.00 0.00 0.00 1.33 3.38 -1.42 -2.61 115.31 115.99 1otv h LEU 148 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1otv h LEU 148 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1otv h LEU 148 CO 0.00 0.00 -0.42 0.49 0.09 0.00 0.00 178.44 178.61 1otv n PHE 149 N -3.09 0.38 -1.91 1.13 0.99 -0.21 -4.87 117.46 109.87 1otv n PHE 149 Ca -0.02 0.11 -0.42 0.00 -0.00 0.00 0.00 57.45 57.12 1otv n PHE 149 Cb 0.14 -0.56 -0.03 0.00 -1.00 0.00 0.00 39.48 38.03 1otv n PHE 149 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1otv s ALA 150 N -3.09 3.75 1.00 4.37 0.00 -0.99 -5.00 121.76 121.80 1otv s ALA 150 Ca 0.09 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1otv s ALA 150 Cb 0.15 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1otv s ALA 150 CO 0.67 -0.81 0.00 -2.30 0.00 0.00 0.00 175.76 173.32 1otv n PRO 151 N 3.23 -0.93 -0.05 0.00 -0.01 -1.26 -4.71 135.00 131.27 1otv n PRO 151 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.60 1otv n PRO 151 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.87 1otv n PRO 151 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 175.50 176.43 1otv n GLN 152 N -1.32 0.00 -3.56 -0.52 -0.06 -1.26 -4.49 117.38 106.17 1otv n GLN 152 Ca 0.00 -0.36 -0.19 0.00 -2.00 0.00 0.00 57.00 54.45 1otv n GLN 152 Cb 0.00 -1.79 -0.06 0.00 -4.06 0.00 0.00 30.24 24.33 1otv n GLN 152 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1otv n ILE 153 N 4.36 -0.53 -3.12 1.69 5.41 -1.26 -2.44 119.36 123.47 1otv n ILE 153 Ca 0.00 -0.27 -0.17 0.00 1.00 0.00 0.00 62.75 63.31 1otv n ILE 153 Cb 0.00 -0.57 0.05 0.00 -0.71 0.00 0.00 39.64 38.41 1otv n ILE 153 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1otv n HIS 154 N -3.10 -1.88 -3.80 1.39 8.25 -1.26 -4.99 115.22 109.84 1otv n HIS 154 Ca -0.17 0.61 -0.14 0.00 -0.26 0.00 0.00 57.72 57.76 1otv n HIS 154 Cb 0.40 -3.85 -0.15 0.00 1.12 0.00 0.00 29.99 27.51 1otv n HIS 154 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1otv s GLN 155 N -5.75 -0.00 0.11 -0.41 0.74 -1.02 -5.07 119.66 108.26 1otv s GLN 155 Ca 0.35 0.16 -0.12 0.00 0.05 0.00 0.00 55.36 55.80 1otv s GLN 155 Cb -0.16 -0.16 0.02 0.00 1.10 0.00 0.00 33.01 33.81 1otv s GLN 155 CO 0.44 -0.12 0.30 -1.54 -0.55 0.00 0.00 175.29 173.82 1otv s SER 156 N 0.76 -0.06 -0.19 6.67 1.04 -1.26 -4.87 113.70 115.79 1otv s SER 156 Ca -0.06 -0.50 -0.29 0.00 0.48 0.00 0.00 55.95 55.59 1otv s SER 156 Cb -0.09 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 1otv s SER 156 CO -0.02 -0.80 2.02 -0.13 0.98 0.00 0.00 173.24 175.29 1otv s ARG 157 N -3.84 3.44 0.00 4.02 0.52 -1.26 -4.20 118.95 117.63 1otv s ARG 157 Ca 0.04 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.24 1otv s ARG 157 Cb 0.03 -4.26 0.00 0.00 0.52 0.00 0.00 34.95 31.24 1otv s ARG 157 CO -0.11 -1.74 0.00 1.28 0.02 0.00 0.00 175.30 174.75 1otv n LEU 158 N 10.26 0.00 -4.65 2.53 4.77 -1.26 -4.77 117.00 123.88 1otv n LEU 158 Ca 0.25 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 1otv n LEU 158 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1otv n LEU 158 CO 0.67 0.00 1.15 -1.81 -1.33 0.00 0.00 177.39 176.07 1otv s ASP 159 N 0.00 6.83 0.00 -1.43 1.01 -1.26 -4.62 116.67 117.20 1otv s ASP 159 Ca 0.00 1.71 0.00 0.00 0.71 0.00 0.00 52.55 54.97 1otv s ASP 159 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1otv s ASP 159 CO 0.00 -0.86 0.00 -1.54 0.21 0.00 0.00 175.17 172.98 1otv n SER 160 N 6.94 0.00 0.07 0.27 3.41 -1.26 -4.42 113.62 118.63 1otv n SER 160 Ca 0.15 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.60 1otv n SER 160 Cb 0.45 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.26 1otv n SER 160 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1otv h TRP 161 N 0.00 0.43 -0.08 7.33 4.06 -1.91 -3.35 115.95 122.42 1otv h TRP 161 Ca 0.00 -0.31 -0.09 0.00 2.06 0.00 0.00 58.89 60.55 1otv h TRP 161 Cb 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1otv h TRP 161 CO 0.00 1.32 -0.35 -1.35 -3.56 0.00 0.00 178.44 174.49 1otv h PRO 162 N 0.06 0.17 0.00 0.49 0.11 -1.88 0.13 132.00 131.08 1otv h PRO 162 Ca -0.20 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.71 1otv h PRO 162 Cb 1.99 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 33.07 1otv h PRO 162 CO 0.17 0.50 -0.65 -0.56 -0.21 0.00 0.00 178.00 177.25 1otv h GLN 163 N 0.14 0.00 0.00 1.05 3.07 -1.82 -2.87 115.11 114.69 1otv h GLN 163 Ca 0.02 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.50 1otv h GLN 163 Cb 0.70 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.21 1otv h GLN 163 CO 0.05 0.65 -1.65 0.72 0.09 0.00 0.00 178.83 178.69 1otv n HIS 164 N -3.33 0.96 -3.31 0.06 8.25 -1.08 -4.56 115.22 112.22 1otv n HIS 164 Ca 0.01 0.34 -0.25 0.00 -0.26 0.00 0.00 57.72 57.56 1otv n HIS 164 Cb 0.77 -1.15 -0.08 0.00 1.12 0.00 0.00 29.99 30.65 1otv n HIS 164 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1otv n TYR 165 N -2.99 0.96 0.32 4.41 4.02 0.44 -4.94 117.16 119.38 1otv n TYR 165 Ca -0.15 -3.75 0.15 0.00 -0.01 0.00 0.00 57.90 54.13 1otv n TYR 165 Cb 1.00 -0.38 0.67 0.00 -0.02 0.00 0.00 39.34 40.61 1otv n TYR 165 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1otv h PRO 166 N 4.24 0.00 0.00 -0.72 0.11 -1.71 -1.63 132.00 132.29 1otv h PRO 166 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1otv h PRO 166 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1otv h PRO 166 CO 0.58 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.70 1otv n TRP 167 N -2.67 0.00 -2.68 0.65 4.27 -1.26 -4.75 117.44 111.00 1otv n TRP 167 Ca 0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 1otv n TRP 167 Cb 0.21 -0.24 -0.04 0.00 -1.36 0.00 0.00 31.31 29.89 1otv n TRP 167 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1otv s ILE 168 N -2.48 4.52 0.09 -1.67 1.01 -0.61 -4.91 121.20 117.15 1otv s ILE 168 Ca 0.14 1.98 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 1otv s ILE 168 Cb 0.09 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 1otv s ILE 168 CO 0.19 0.25 1.20 -0.54 0.00 0.00 0.00 174.94 176.04 1otv s LYS 169 N 0.36 4.44 0.36 2.79 1.02 -0.26 -4.93 119.74 123.52 1otv s LYS 169 Ca 0.50 1.80 0.17 0.00 0.02 0.00 0.00 55.97 58.45 1otv s LYS 169 Cb -0.24 -3.32 0.63 0.00 -0.52 0.00 0.00 37.83 34.38 1otv s LYS 169 CO 0.30 -0.22 1.72 1.49 -0.92 0.00 0.00 175.35 177.71 1otv h GLU 170 N 6.49 0.00 0.49 1.68 4.57 -1.93 -2.99 114.58 122.89 1otv h GLU 170 Ca -0.42 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.73 1otv h GLU 170 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1otv h GLU 170 CO 0.80 0.42 -0.24 0.93 -1.18 0.00 0.00 179.01 179.74 1otv h GLU 171 N 0.00 -0.64 -0.92 1.92 4.39 -1.99 -2.54 114.58 114.81 1otv h GLU 171 Ca -0.00 0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.86 1otv h GLU 171 Cb 0.91 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.62 1otv h GLU 171 CO 0.05 -0.33 0.55 0.78 -1.16 0.00 0.00 179.01 178.90 1otv h GLY 172 N -1.00 1.50 0.99 -3.84 0.00 -1.82 -0.13 103.07 98.77 1otv h GLY 172 Ca -0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1otv h GLY 172 CO 0.11 0.10 -0.29 -1.82 0.00 0.00 0.00 176.54 174.64 1otv h TYR 173 N 0.85 0.89 -0.22 5.60 3.20 -1.55 -0.10 116.97 125.63 1otv h TYR 173 Ca 0.47 -0.26 -0.17 0.00 3.14 0.00 0.00 58.73 61.91 1otv h TYR 173 Cb 0.51 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1otv h TYR 173 CO -0.04 1.02 -0.52 0.35 -1.64 0.00 0.00 178.16 177.33 1otv h PHE 174 N 0.50 0.94 -0.59 -3.82 3.57 -1.20 -1.93 116.94 114.42 1otv h PHE 174 Ca 0.05 -0.36 0.09 0.00 3.53 0.00 0.00 57.97 61.28 1otv h PHE 174 Cb 0.86 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.36 1otv h PHE 174 CO 0.07 1.16 0.22 -0.92 -2.23 0.00 0.00 178.31 176.60 1otv h TYR 175 N 0.46 0.38 0.05 0.41 3.20 -0.83 -1.54 116.97 119.10 1otv h TYR 175 Ca -0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1otv h TYR 175 Cb 1.13 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1otv h TYR 175 CO 0.09 0.10 -0.19 0.35 -1.64 0.00 0.00 178.16 176.87 1otv h PHE 176 N 0.40 -0.49 -0.79 -3.82 3.57 -0.83 0.26 116.94 115.24 1otv h PHE 176 Ca 0.29 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 1otv h PHE 176 Cb 0.35 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1otv h PHE 176 CO -0.17 -0.27 0.32 0.00 -2.23 0.00 0.00 178.31 175.96 1otv h ARG 177 N -0.33 1.18 -0.03 1.11 3.08 -1.11 -2.70 114.38 115.57 1otv h ARG 177 Ca 0.04 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 1otv h ARG 177 Cb 0.38 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1otv h ARG 177 CO -0.14 0.96 -0.24 0.66 -1.07 0.00 0.00 179.97 180.14 1otv h SER 178 N 1.15 0.27 -0.18 7.04 4.64 -1.06 -3.13 113.55 122.27 1otv h SER 178 Ca 0.26 -0.69 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1otv h SER 178 Cb 0.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1otv h SER 178 CO -0.02 0.91 0.12 -0.09 -0.87 0.00 0.00 176.83 176.88 1otv h ARG 179 N -0.35 0.25 0.02 4.77 1.12 -0.43 -2.36 114.38 117.40 1otv h ARG 179 Ca -0.02 -0.02 -0.20 0.00 -1.11 0.00 0.00 59.98 58.63 1otv h ARG 179 Cb 0.92 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.81 1otv h ARG 179 CO 0.05 0.17 -0.93 -0.07 -3.11 0.00 0.00 179.97 176.08 1otv h LEU 180 N 0.26 0.17 -2.09 3.80 3.38 -1.55 -3.23 115.31 116.05 1otv h LEU 180 Ca 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1otv h LEU 180 Cb -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1otv h LEU 180 CO -0.01 1.01 0.00 0.77 0.09 0.00 0.00 178.44 180.30 1otv h SER 181 N 0.06 0.00 -0.47 -0.43 4.64 -1.36 -3.08 113.55 112.91 1otv h SER 181 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1otv h SER 181 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1otv h SER 181 CO 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 1otv n GLN 182 N -2.65 3.20 -2.28 4.77 6.02 -1.22 -4.98 117.38 120.24 1otv n GLN 182 Ca -0.02 -2.15 -0.37 0.00 -0.01 0.00 0.00 57.00 54.45 1otv n GLN 182 Cb 0.07 -1.80 -0.01 0.00 1.02 0.00 0.00 30.24 29.51 1otv n GLN 182 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1otv s ALA 183 N -1.88 3.01 -0.79 -1.58 0.00 -1.17 -4.96 121.76 114.40 1otv s ALA 183 Ca 0.38 0.92 0.14 0.00 0.00 0.00 0.00 51.96 53.41 1otv s ALA 183 Cb 0.26 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.87 1otv s ALA 183 CO 0.17 -0.60 0.64 0.09 0.00 0.00 0.00 175.76 176.06 1otv n ASN 184 N -0.37 0.81 -4.74 0.00 4.13 -1.26 -5.01 115.26 108.82 1otv n ASN 184 Ca 0.07 -0.91 -0.37 0.00 1.68 0.00 0.00 54.58 55.05 1otv n ASN 184 Cb 0.48 0.92 0.05 0.00 -1.54 0.00 0.00 39.78 39.69 1otv n ASN 184 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1otv s ARG 185 N -2.28 2.90 -0.64 3.52 1.70 -1.26 -4.95 118.95 117.94 1otv s ARG 185 Ca 0.06 2.03 -0.21 0.00 -0.47 0.00 0.00 55.73 57.15 1otv s ARG 185 Cb 0.11 -2.02 0.09 0.00 -0.57 0.00 0.00 34.95 32.56 1otv s ARG 185 CO 0.56 -1.31 0.85 0.34 -1.08 0.00 0.00 175.30 174.66 1otv s ASP 186 N -1.32 6.20 0.52 -2.89 2.15 -1.26 -4.91 116.67 115.16 1otv s ASP 186 Ca 0.77 -1.25 0.30 0.00 0.43 0.00 0.00 52.55 52.80 1otv s ASP 186 Cb -0.36 -2.36 1.28 0.00 -0.30 0.00 0.00 42.92 41.18 1otv s ASP 186 CO 0.40 -1.27 1.96 1.62 -0.17 0.00 0.00 175.17 177.71 1otv h VAL 187 N 5.94 0.24 0.00 1.11 3.04 -1.98 -0.09 116.25 124.51 1otv h VAL 187 Ca -0.27 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1otv h VAL 187 Cb 1.08 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 1otv h VAL 187 CO 1.14 0.08 0.00 -0.62 -1.01 0.00 0.00 177.57 177.16 1otv n GLU 188 N -3.24 0.01 -0.12 4.17 1.02 -1.26 -4.30 120.64 116.91 1otv n GLU 188 Ca 0.00 0.05 -0.05 0.00 -0.02 0.00 0.00 57.16 57.14 1otv n GLU 188 Cb 0.33 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1otv n GLU 188 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1otv h HIS 189 N 0.00 0.19 -0.26 -0.32 2.76 -1.43 0.68 115.15 116.78 1otv h HIS 189 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1otv h HIS 189 Cb 0.46 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1otv h HIS 189 CO 0.00 0.06 0.14 0.78 -1.30 0.00 0.00 177.93 177.60 1otv h GLY 190 N 0.25 0.37 0.86 5.26 0.00 -1.79 -0.07 103.07 107.95 1otv h GLY 190 Ca 0.19 -0.15 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 1otv h GLY 190 CO -0.22 0.14 -0.67 -2.00 0.00 0.00 0.00 176.54 173.80 1otv h LEU 191 N 0.35 0.60 -0.78 3.11 5.85 -1.21 -1.55 115.31 121.68 1otv h LEU 191 Ca 0.09 -0.75 -0.01 0.00 0.84 0.00 0.00 57.88 58.05 1otv h LEU 191 Cb 0.02 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1otv h LEU 191 CO -0.02 1.27 0.46 0.00 -0.34 0.00 0.00 178.44 179.81 1otv h ALA 192 N 0.34 1.00 -0.83 1.25 0.00 -0.67 -1.75 119.26 118.60 1otv h ALA 192 Ca -0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1otv h ALA 192 Cb 1.37 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1otv h ALA 192 CO 0.13 0.48 0.38 -0.07 0.00 0.00 0.00 179.25 180.18 1otv h LEU 193 N 1.08 1.10 -0.57 0.00 3.38 -1.07 -2.32 115.31 116.91 1otv h LEU 193 Ca 0.28 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1otv h LEU 193 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1otv h LEU 193 CO -0.05 0.94 0.35 0.00 0.09 0.00 0.00 178.44 179.77 1otv h ALA 194 N 1.22 0.73 -0.17 1.53 0.00 -0.99 0.16 119.26 121.74 1otv h ALA 194 Ca 0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1otv h ALA 194 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1otv h ALA 194 CO -0.03 0.20 -0.24 0.87 0.00 0.00 0.00 179.25 180.05 1otv h LYS 195 N 0.77 0.30 0.10 0.00 1.57 -1.15 -0.45 116.57 117.71 1otv h LYS 195 Ca 0.21 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 1otv h LYS 195 Cb -0.03 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.27 1otv h LYS 195 CO -0.04 0.52 -0.64 0.00 -0.57 0.00 0.00 179.45 178.72 1otv h ALA 196 N 1.49 -0.05 -0.10 3.86 0.00 -1.27 -3.39 119.26 119.79 1otv h ALA 196 Ca 0.04 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 1otv h ALA 196 Cb 0.57 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1otv h ALA 196 CO 0.04 0.30 -0.35 -0.92 0.00 0.00 0.00 179.25 178.32 1otv h TYR 197 N -0.53 0.55 -1.68 0.00 3.20 -0.95 -3.40 116.97 114.16 1otv h TYR 197 Ca -0.12 -0.23 -0.71 0.00 3.14 0.00 0.00 58.73 60.81 1otv h TYR 197 Cb 1.48 -0.09 -0.14 0.00 1.54 0.00 0.00 36.73 39.52 1otv h TYR 197 CO 0.21 0.96 1.67 0.00 -1.64 0.00 0.00 178.16 179.36 1otv n ASP 199 N 6.71 3.34 -4.06 0.00 3.85 -1.26 -4.65 116.55 120.48 1otv n ASP 199 Ca 0.41 -3.02 -0.07 0.00 -0.71 0.00 0.00 54.79 51.40 1otv n ASP 199 Cb 0.44 -0.50 -0.10 0.00 -1.35 0.00 0.00 41.12 39.62 1otv n ASP 199 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1otv s SER 200 N -2.23 0.45 0.22 -1.12 1.04 -1.26 -5.04 113.70 105.76 1otv s SER 200 Ca 0.38 -0.96 -0.08 0.00 0.48 0.00 0.00 55.95 55.78 1otv s SER 200 Cb 0.31 0.22 0.27 0.00 0.10 0.00 0.00 66.02 66.92 1otv s SER 200 CO 0.07 -0.61 1.83 0.00 0.98 0.00 0.00 173.24 175.50 1otv h ALA 201 N 3.11 1.00 -0.34 5.32 0.00 -1.91 -1.01 119.26 125.43 1otv h ALA 201 Ca -0.34 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1otv h ALA 201 Cb 1.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1otv h ALA 201 CO 0.65 0.15 0.16 0.93 0.00 0.00 0.00 179.25 181.14 1otv h GLU 202 N 0.81 0.50 -0.49 0.00 4.39 -1.96 -1.03 114.58 116.80 1otv h GLU 202 Ca 0.32 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 1otv h GLU 202 Cb 0.16 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1otv h GLU 202 CO -0.17 0.46 0.05 0.87 -1.16 0.00 0.00 179.01 179.07 1otv h LYS 203 N 0.41 0.78 -0.14 2.33 1.57 -1.85 -2.30 116.57 117.37 1otv h LYS 203 Ca 0.12 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1otv h LYS 203 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1otv h LYS 203 CO -0.01 0.76 0.04 1.96 -0.57 0.00 0.00 179.45 181.62 1otv h GLN 204 N 0.74 0.23 -0.65 3.15 4.20 -0.87 -0.20 115.11 121.71 1otv h GLN 204 Ca 0.15 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1otv h GLN 204 Cb 0.38 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1otv h GLN 204 CO 0.01 0.38 0.20 -0.91 -0.67 0.00 0.00 178.83 177.84 1otv h ASN 205 N 0.04 0.92 -0.51 1.46 2.35 -1.18 -1.77 115.58 116.89 1otv h ASN 205 Ca 0.05 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 1otv h ASN 205 Cb 0.25 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1otv h ASN 205 CO 0.00 0.86 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.55 1otv h ARG 206 N 0.96 0.90 -0.38 0.81 2.43 -1.15 -2.42 114.38 115.52 1otv h ARG 206 Ca 0.21 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1otv h ARG 206 Cb 0.28 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1otv h ARG 206 CO -0.01 0.93 -0.03 1.98 -1.51 0.00 0.00 179.97 181.33 1otv h MET 207 N 0.76 0.62 -0.56 0.20 4.05 -0.71 -0.78 114.93 118.50 1otv h MET 207 Ca 0.14 -0.16 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 1otv h MET 207 Cb 0.53 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1otv h MET 207 CO 0.03 0.66 0.06 -0.07 0.23 0.00 0.00 176.91 177.82 1otv h LEU 208 N 0.58 0.88 -0.77 3.39 3.38 -1.13 -0.94 115.31 120.70 1otv h LEU 208 Ca 0.12 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1otv h LEU 208 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1otv h LEU 208 CO 0.02 0.90 -0.25 -0.08 0.09 0.00 0.00 178.44 179.12 1otv h GLU 209 N 0.87 0.65 -0.53 1.13 4.57 -0.89 -1.86 114.58 118.52 1otv h GLU 209 Ca 0.17 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 1otv h GLU 209 Cb 0.42 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1otv h GLU 209 CO 0.01 0.84 -0.01 0.82 -1.18 0.00 0.00 179.01 179.50 1otv h ILE 210 N 0.57 1.26 -0.26 2.32 2.04 -0.80 0.39 117.51 123.03 1otv h ILE 210 Ca 0.08 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.76 1otv h ILE 210 Cb 0.73 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1otv h ILE 210 CO 0.06 0.39 -0.15 0.25 0.00 0.00 0.00 178.15 178.70 1otv h LEU 211 N 0.81 0.43 -0.41 1.44 5.85 -1.13 -0.70 115.31 121.60 1otv h LEU 211 Ca 0.15 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1otv h LEU 211 Cb 0.54 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1otv h LEU 211 CO 0.03 0.61 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.09 1otv h GLN 212 N 0.41 0.75 -0.64 1.25 5.75 -0.79 0.13 115.11 121.98 1otv h GLN 212 Ca 0.07 -0.26 0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1otv h GLN 212 Cb 0.50 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.92 1otv h GLN 212 CO 0.03 0.85 0.27 0.35 -2.65 0.00 0.00 178.83 177.68 1otv h PHE 213 N 0.58 0.47 -0.66 3.99 3.57 -0.32 0.14 116.94 124.71 1otv h PHE 213 Ca 0.11 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1otv h PHE 213 Cb 0.53 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1otv h PHE 213 CO 0.04 0.14 0.21 -0.22 -2.23 0.00 0.00 178.31 176.26 1otv h LYS 214 N 0.47 1.03 -0.33 1.11 1.63 -0.58 -1.51 116.57 118.39 1otv h LYS 214 Ca 0.32 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1otv h LYS 214 Cb 0.37 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1otv h LYS 214 CO -0.29 0.90 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.54 1otv h LEU 215 N 0.96 0.47 -0.76 5.20 3.38 -0.12 -2.69 115.31 121.77 1otv h LEU 215 Ca 0.21 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1otv h LEU 215 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1otv h LEU 215 CO -0.01 0.54 -0.50 0.44 0.09 0.00 0.00 178.44 179.01 1otv h ASP 216 N 0.49 0.33 0.07 -0.43 3.32 0.01 -1.52 116.42 118.69 1otv h ASP 216 Ca 0.11 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1otv h ASP 216 Cb 0.32 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1otv h ASP 216 CO 0.01 0.78 -0.19 0.40 -1.72 0.00 0.00 179.24 178.52 1otv h ILE 217 N 0.24 0.56 -0.37 0.35 2.04 -0.97 0.04 117.51 119.40 1otv h ILE 217 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1otv h ILE 217 Cb 0.97 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1otv h ILE 217 CO 0.08 0.00 0.15 -0.07 0.00 0.00 0.00 178.15 178.32 1otv h LEU 218 N -0.35 0.51 -0.70 1.44 4.07 -1.37 -0.97 115.31 117.96 1otv h LEU 218 Ca 0.04 -0.16 -0.06 0.00 0.08 0.00 0.00 57.88 57.78 1otv h LEU 218 Cb 0.38 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 1otv h LEU 218 CO -0.13 0.53 0.21 -0.25 -1.08 0.00 0.00 178.44 177.72 1otv h TRP 219 N 0.46 1.13 0.00 1.13 2.91 -1.21 -3.01 115.95 117.36 1otv h TRP 219 Ca 0.13 -0.12 -0.11 0.00 1.13 0.00 0.00 58.89 59.92 1otv h TRP 219 Cb 0.18 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 1otv h TRP 219 CO -0.00 0.91 -0.53 1.03 -1.03 0.00 0.00 178.44 178.82 1otv h SER 220 N 1.03 0.00 -0.43 2.65 0.87 -0.71 -0.91 113.55 116.05 1otv h SER 220 Ca 0.22 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1otv h SER 220 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1otv h SER 220 CO -0.00 0.53 0.23 0.24 -0.53 0.00 0.00 176.83 177.30 1otv h MET 221 N 0.00 0.59 0.00 2.24 2.86 -1.09 -1.95 114.93 117.58 1otv h MET 221 Ca -0.01 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 1otv h MET 221 Cb 0.94 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1otv h MET 221 CO 0.07 0.48 -0.44 -0.07 1.06 0.00 0.00 176.91 178.01 1otv h LEU 222 N 0.55 0.00 -0.62 1.22 3.38 -1.28 -2.74 115.31 115.82 1otv h LEU 222 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1otv h LEU 222 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1otv h LEU 222 CO -0.02 0.44 0.37 0.44 0.09 0.00 0.00 178.44 179.76 1otv h ASP 223 N 0.00 0.75 -0.53 -0.43 3.32 -0.66 -0.64 116.42 118.23 1otv h ASP 223 Ca -0.00 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1otv h ASP 223 Cb 0.88 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1otv h ASP 223 CO 0.06 0.60 0.05 0.00 -1.72 0.00 0.00 179.24 178.22 1otv h ALA 224 N 1.19 1.01 -0.33 3.45 0.00 -1.21 -1.12 119.26 122.24 1otv h ALA 224 Ca 0.22 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1otv h ALA 224 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1otv h ALA 224 CO -0.04 0.62 -0.36 0.52 0.00 0.00 0.00 179.25 179.99 1otv h MET 225 N 0.88 0.75 -0.22 0.00 2.86 -1.28 -1.90 114.93 116.02 1otv h MET 225 Ca 0.17 -0.37 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1otv h MET 225 Cb 0.45 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1otv h MET 225 CO 0.02 0.99 0.09 1.15 1.06 0.00 0.00 176.91 180.22 1otv h THR 226 N 0.62 0.97 -0.73 2.22 2.02 -0.86 0.14 112.91 117.30 1otv h THR 226 Ca 0.06 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1otv h THR 226 Cb 0.89 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1otv h THR 226 CO 0.08 0.04 0.39 -0.03 0.37 0.00 0.00 175.52 176.36 1otv h MET 227 N 0.21 1.03 0.00 6.66 4.05 -1.10 0.58 114.93 126.35 1otv h MET 227 Ca 0.09 -0.13 -0.10 0.00 -0.28 0.00 0.00 59.70 59.29 1otv h MET 227 Cb 0.04 -0.20 0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1otv h MET 227 CO -0.08 0.78 -0.38 0.00 0.23 0.00 0.00 176.91 177.46 1otv h ALA 228 N 1.19 0.04 0.00 0.39 0.00 -1.15 0.19 119.26 119.92 1otv h ALA 228 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1otv h ALA 228 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1otv h ALA 228 CO -0.04 0.18 -1.10 0.66 0.00 0.00 0.00 179.25 178.95 1otv n TYR 229 N -4.40 0.00 -0.06 0.00 0.53 0.47 -3.85 117.16 109.85 1otv n TYR 229 Ca -0.10 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 56.72 1otv n TYR 229 Cb 0.57 -0.15 -0.11 0.00 -1.03 0.00 0.00 39.34 38.62 1otv n TYR 229 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1otv n ALA 230 N -1.63 1.71 0.18 -0.72 0.00 -0.25 -4.66 120.51 115.15 1otv n ALA 230 Ca -0.00 -0.88 0.07 0.00 0.00 0.00 0.00 53.44 52.62 1otv n ALA 230 Cb 0.23 -0.06 0.12 0.00 0.00 0.00 0.00 19.45 19.73 1otv n ALA 230 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1otv n LEU 231 N -2.48 2.59 -3.21 0.00 4.77 0.03 -4.98 117.00 113.72 1otv n LEU 231 Ca -0.21 -1.49 -0.23 0.00 -0.03 0.00 0.00 56.01 54.05 1otv n LEU 231 Cb 0.92 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.91 1otv n LEU 231 CO 0.29 0.58 0.04 0.00 -1.33 0.00 0.00 177.39 176.97 1otv n GLN 232 N 0.73 -5.26 -2.78 3.23 6.02 -1.23 -4.93 117.38 113.16 1otv n GLN 232 Ca 0.11 0.82 -0.23 0.00 -0.01 0.00 0.00 57.00 57.69 1otv n GLN 232 Cb 0.39 -5.70 -0.01 0.00 1.02 0.00 0.00 30.24 25.94 1otv n GLN 232 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1otv n ARG 233 N -4.20 2.66 -1.00 -1.09 1.74 0.66 -4.99 116.66 110.44 1otv n ARG 233 Ca -0.07 -4.28 -0.29 0.00 -0.77 0.00 0.00 57.85 52.43 1otv n ARG 233 Cb 0.60 -2.02 0.18 0.00 -1.02 0.00 0.00 32.46 30.19 1otv n ARG 233 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1otv s PRO 234 N -3.29 0.54 0.26 5.56 0.04 -1.24 -4.27 135.00 132.60 1otv s PRO 234 Ca 0.44 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 1otv s PRO 234 Cb 0.36 -1.73 -0.13 0.00 0.04 0.00 0.00 34.50 33.04 1otv s PRO 234 CO -0.12 -2.73 1.31 -2.30 0.04 0.00 0.00 177.00 173.19 1otv n PRO 235 N -4.22 1.89 -1.37 0.56 -0.02 -1.26 -2.10 135.00 128.48 1otv n PRO 235 Ca 0.06 0.67 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 1otv n PRO 235 Cb 0.55 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 1otv n PRO 235 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1otv n TYR 236 N 1.28 0.00 0.30 6.00 4.02 -1.26 -4.81 117.16 122.68 1otv n TYR 236 Ca 0.10 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.15 1otv n TYR 236 Cb 0.32 -2.32 0.92 0.00 -0.02 0.00 0.00 39.34 38.24 1otv n TYR 236 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 176.86 176.97 1otv h HIS 237 N 0.00 0.00 0.00 -0.72 2.07 -1.58 -1.49 115.15 113.43 1otv h HIS 237 Ca -0.26 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.25 1otv h HIS 237 Cb 0.83 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.81 1otv h HIS 237 CO 0.36 0.04 -0.04 1.79 -3.07 0.00 0.00 177.93 177.01 1otv h THR 238 N 0.00 0.09 0.00 6.12 1.35 -1.90 -3.36 112.91 115.21 1otv h THR 238 Ca -0.00 -0.72 -0.14 0.00 -0.55 0.00 0.00 66.41 65.00 1otv h THR 238 Cb 0.13 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 1otv h THR 238 CO 0.00 0.04 -1.61 1.33 -0.25 0.00 0.00 175.52 175.03 1otv n VAL 239 N -3.13 0.52 -3.74 6.82 0.24 -0.65 -5.05 118.33 113.34 1otv n VAL 239 Ca 0.01 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 1otv n VAL 239 Cb 0.37 -0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 32.12 1otv n VAL 239 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1otv s THR 240 N -2.32 0.08 -1.89 3.34 -1.32 -0.69 -5.04 115.64 107.80 1otv s THR 240 Ca -0.04 -0.69 0.21 0.00 -1.21 0.00 0.00 61.69 59.95 1otv s THR 240 Cb 0.03 -1.01 -0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1otv s THR 240 CO 0.39 -0.38 1.02 -0.90 -2.21 0.00 0.00 174.62 172.54 1otv n ASP 241 N 0.40 1.94 -4.98 8.08 5.75 -1.26 -4.11 116.55 122.37 1otv n ASP 241 Ca -0.18 -1.47 -0.20 0.00 -0.01 0.00 0.00 54.79 52.93 1otv n ASP 241 Cb 0.60 0.46 0.03 0.00 -1.03 0.00 0.00 41.12 41.18 1otv n ASP 241 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1otv s LYS 242 N -2.28 2.70 -0.16 0.11 -2.85 -1.26 -5.05 119.74 110.95 1otv s LYS 242 Ca 0.17 -0.86 -0.29 0.00 -1.00 0.00 0.00 55.97 53.99 1otv s LYS 242 Cb 0.17 -2.57 -0.01 0.00 -2.06 0.00 0.00 37.83 33.36 1otv s LYS 242 CO 0.51 -0.53 1.10 0.00 0.10 0.00 0.00 175.35 176.53 1otv s ALA 243 N -2.62 3.58 -0.02 0.59 0.00 -1.26 -4.91 121.76 117.13 1otv s ALA 243 Ca 0.55 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1otv s ALA 243 Cb -0.10 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.53 1otv s ALA 243 CO 0.37 -0.92 0.92 0.00 0.00 0.00 0.00 175.76 176.12 1otv n ALA 244 N 5.89 1.83 -1.69 0.00 0.00 -1.26 -5.08 120.51 120.20 1otv n ALA 244 Ca 0.11 -1.11 -0.31 0.00 0.00 0.00 0.00 53.44 52.13 1otv n ALA 244 Cb 0.46 -0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.87 1otv n ALA 244 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1otv s TRP 245 N -1.00 3.26 0.54 0.00 -2.14 -1.26 -5.00 118.94 113.34 1otv s TRP 245 Ca 0.04 1.41 -0.21 0.00 2.66 0.00 0.00 56.10 60.00 1otv s TRP 245 Cb 0.04 -2.85 -0.05 0.00 -3.10 0.00 0.00 33.47 27.50 1otv s TRP 245 CO 0.00 -0.98 1.26 -3.38 -2.66 0.00 0.00 176.95 171.19 1otv s HIS 246 N -2.93 2.47 -0.07 1.66 -3.43 -1.26 -4.97 115.29 106.76 1otv s HIS 246 Ca 0.58 1.46 0.10 0.00 -0.80 0.00 0.00 55.06 56.41 1otv s HIS 246 Cb -0.13 -3.59 0.18 0.00 -1.43 0.00 0.00 32.58 27.61 1otv s HIS 246 CO 0.49 -2.33 1.09 0.25 -2.00 0.00 0.00 174.74 172.24 1otv n THR 247 N -1.07 0.89 -4.69 -5.38 -2.24 -1.26 -4.88 114.28 95.65 1otv n THR 247 Ca 0.11 -1.20 -0.23 0.00 -2.27 0.00 0.00 64.05 60.46 1otv n THR 247 Cb 0.47 0.20 -0.15 0.00 -2.10 0.00 0.00 70.33 68.75 1otv n THR 247 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1otv s THR 248 N -1.34 1.17 -1.11 4.28 -4.23 -1.26 -4.73 115.64 108.41 1otv s THR 248 Ca 0.18 -0.63 -0.22 0.00 -1.18 0.00 0.00 61.69 59.85 1otv s THR 248 Cb 0.17 -0.98 0.03 0.00 1.34 0.00 0.00 72.50 73.06 1otv s THR 248 CO -0.01 0.33 1.66 -0.13 -0.54 0.00 0.00 174.62 175.94 1otv s ARG 249 N -0.32 3.45 0.34 3.99 0.52 -1.26 -4.88 118.95 120.80 1otv s ARG 249 Ca 0.05 -1.28 0.09 0.00 -0.52 0.00 0.00 55.73 54.07 1otv s ARG 249 Cb -0.06 -5.36 0.81 0.00 0.52 0.00 0.00 34.95 30.86 1otv s ARG 249 CO -0.00 -2.59 1.83 -0.07 0.02 0.00 0.00 175.30 174.49 1otv h LEU 250 N 13.99 0.69 -0.09 2.53 3.38 -1.95 -1.92 115.31 131.94 1otv h LEU 250 Ca 0.26 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1otv h LEU 250 Cb 0.96 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1otv h LEU 250 CO 1.39 0.31 -0.16 1.33 0.09 0.00 0.00 178.44 181.40 1otv n VAL 251 N -4.62 0.00 0.00 1.22 0.24 -1.26 -4.08 118.33 109.84 1otv n VAL 251 Ca 0.20 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1otv n VAL 251 Cb 0.53 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1otv n VAL 251 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1otv n LEU 252 N -1.29 0.00 -3.82 1.34 4.77 -0.78 -5.01 117.00 112.21 1otv n LEU 252 Ca 0.10 -0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 1otv n LEU 252 Cb 0.31 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.27 1otv n LEU 252 CO 0.27 0.00 -0.24 -1.83 -1.33 0.00 0.00 177.39 174.26 1otv s GLU 253 N -1.33 0.12 0.08 3.23 -1.05 -0.85 -5.05 118.70 113.85 1otv s GLU 253 Ca 0.00 0.19 -0.23 0.00 -0.15 0.00 0.00 54.97 54.78 1otv s GLU 253 Cb 0.00 0.02 -0.15 0.00 -0.44 0.00 0.00 34.13 33.55 1otv s GLU 253 CO 0.00 -0.04 1.68 1.25 0.95 0.00 0.00 175.26 179.10 1otv h HIS 254 N 6.21 0.01 0.00 4.83 -0.00 -1.87 -3.40 115.15 120.93 1otv h HIS 254 Ca -0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 1otv h HIS 254 Cb 1.19 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 1otv h HIS 254 CO 0.41 0.07 0.00 -2.39 -0.00 0.00 0.00 177.93 176.02