#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pbx s GLU 6 N 0.00 1.34 -0.23 0.38 0.41 -1.26 -4.96 118.70 114.38 2pbx s GLU 6 Ca 0.00 1.46 0.01 0.00 -0.41 0.00 0.00 54.97 56.02 2pbx s GLU 6 Cb 0.00 -1.77 0.06 0.00 -1.78 0.00 0.00 34.13 30.64 2pbx s GLU 6 CO 0.00 -2.38 -0.06 -1.59 -0.49 0.00 0.00 175.26 170.74 2pbx s LYS 7 N -4.71 1.71 0.02 1.61 -2.85 -1.26 -4.80 119.74 109.46 2pbx s LYS 7 Ca 0.65 -0.96 -0.33 0.00 -1.00 0.00 0.00 55.97 54.33 2pbx s LYS 7 Cb -0.21 -2.55 -0.12 0.00 -2.06 0.00 0.00 37.83 32.89 2pbx s LYS 7 CO 0.57 -0.56 1.80 0.54 0.10 0.00 0.00 175.35 177.81 2pbx n ARG 8 N 4.67 2.33 -0.69 1.78 1.74 0.53 -4.92 116.66 122.10 2pbx n ARG 8 Ca -0.13 0.85 -0.31 0.00 -0.77 0.00 0.00 57.85 57.49 2pbx n ARG 8 Cb 0.44 -2.69 0.16 0.00 -1.02 0.00 0.00 32.46 29.35 2pbx n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2pbx n PRO 9 N 5.73 -0.61 -1.65 5.56 -0.04 -1.26 -3.53 135.00 139.20 2pbx n PRO 9 Ca 0.20 -0.12 -0.66 0.00 -0.04 0.00 0.00 63.50 62.87 2pbx n PRO 9 Cb 0.31 -2.18 -0.10 0.00 -0.04 0.00 0.00 33.50 31.49 2pbx n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2pbx n ARG 10 N -3.46 0.00 -4.36 0.54 5.12 -1.26 -4.80 116.66 108.45 2pbx n ARG 10 Ca 0.09 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.83 2pbx n ARG 10 Cb 0.53 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.23 2pbx n ARG 10 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2pbx s THR 11 N 3.57 1.22 -0.27 0.55 -1.32 -1.26 -5.12 115.64 113.01 2pbx s THR 11 Ca 1.08 -2.06 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 2pbx s THR 11 Cb -1.50 -2.35 0.06 0.00 -1.51 0.00 0.00 72.50 67.20 2pbx s THR 11 CO 0.79 -0.34 -0.08 -0.13 -2.21 0.00 0.00 174.62 172.66 2pbx s ARG 12 N -3.82 2.26 0.16 7.08 0.52 -1.26 -5.01 118.95 118.88 2pbx s ARG 12 Ca 0.28 -1.35 0.07 0.00 -0.52 0.00 0.00 55.73 54.21 2pbx s ARG 12 Cb 0.05 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 2pbx s ARG 12 CO 0.09 -0.60 -0.15 -0.51 0.02 0.00 0.00 175.30 174.15 2pbx s LEU 13 N 1.13 2.48 0.69 2.53 1.43 -1.26 -5.10 118.68 120.57 2pbx s LEU 13 Ca -0.07 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.01 2pbx s LEU 13 Cb -0.20 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.37 2pbx s LEU 13 CO -0.04 -0.14 1.06 -0.94 0.23 0.00 0.00 176.35 176.52 2pbx s SER 14 N -2.86 5.56 0.47 2.29 1.04 -1.26 -4.72 113.70 114.23 2pbx s SER 14 Ca 0.16 1.41 0.28 0.00 0.48 0.00 0.00 55.95 58.27 2pbx s SER 14 Cb -0.03 -2.31 1.34 0.00 0.10 0.00 0.00 66.02 65.12 2pbx s SER 14 CO 0.05 -1.30 1.79 -0.65 0.98 0.00 0.00 173.24 174.11 2pbx h PRO 15 N -0.62 0.18 0.03 4.02 0.11 -2.01 0.36 132.00 134.07 2pbx h PRO 15 Ca -0.45 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 2pbx h PRO 15 Cb 1.22 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2pbx h PRO 15 CO 0.60 0.12 -1.37 0.37 -0.21 0.00 0.00 178.00 177.51 2pbx h GLN 16 N 0.18 0.07 0.00 1.05 4.15 -2.00 -2.69 115.11 115.87 2pbx h GLN 16 Ca 0.58 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.81 2pbx h GLN 16 Cb 1.90 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.62 2pbx h GLN 16 CO -0.15 0.88 -0.34 0.87 -1.93 0.00 0.00 178.83 178.15 2pbx h LYS 17 N 0.02 0.00 0.18 1.69 6.56 -1.02 -3.04 116.57 120.96 2pbx h LYS 17 Ca -0.16 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.17 2pbx h LYS 17 Cb 1.91 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 33.60 2pbx h LYS 17 CO 0.12 0.34 -1.16 -0.09 -2.06 0.00 0.00 179.45 176.60 2pbx h ARG 18 N 0.00 0.38 -0.08 3.15 9.65 -0.51 -2.99 114.38 123.99 2pbx h ARG 18 Ca -0.00 -0.65 0.00 0.00 -1.10 0.00 0.00 59.98 58.23 2pbx h ARG 18 Cb 0.98 0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 2pbx h ARG 18 CO 0.04 1.31 0.04 -0.22 2.80 0.00 0.00 179.97 183.95 2pbx h LYS 19 N -0.16 0.09 -0.81 0.20 3.64 -1.49 -0.83 116.57 117.20 2pbx h LYS 19 Ca -0.21 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 2pbx h LYS 19 Cb 1.86 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.62 2pbx h LYS 19 CO 0.19 0.06 0.54 1.25 -2.27 0.00 0.00 179.45 179.21 2pbx h LEU 20 N 0.09 0.89 -0.40 5.20 5.85 -1.66 -1.16 115.31 124.12 2pbx h LEU 20 Ca 0.03 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2pbx h LEU 20 Cb -0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2pbx h LEU 20 CO -0.01 0.63 0.25 -0.61 -0.34 0.00 0.00 178.44 178.35 2pbx h GLN 21 N 1.04 0.49 -0.41 1.25 4.15 -1.15 0.06 115.11 120.53 2pbx h GLN 21 Ca 0.31 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.63 2pbx h GLN 21 Cb -0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2pbx h GLN 21 CO -0.08 0.32 -0.04 -0.07 -1.93 0.00 0.00 178.83 177.03 2pbx h LEU 22 N 0.51 0.74 -0.21 -2.39 3.38 -0.69 -0.64 115.31 116.02 2pbx h LEU 22 Ca 0.15 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2pbx h LEU 22 Cb -0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 2pbx h LEU 22 CO -0.05 0.90 -0.12 -0.03 0.09 0.00 0.00 178.44 179.22 2pbx h MET 23 N 0.57 -0.10 -0.74 1.13 4.05 -1.01 0.57 114.93 119.40 2pbx h MET 23 Ca 0.11 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.55 2pbx h MET 23 Cb 0.54 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.33 2pbx h MET 23 CO 0.03 -0.07 0.48 0.93 0.23 0.00 0.00 176.91 178.51 2pbx h GLU 24 N -0.11 0.95 -0.55 0.39 5.08 -0.68 0.89 114.58 120.55 2pbx h GLU 24 Ca 0.12 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2pbx h GLU 24 Cb 0.28 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2pbx h GLU 24 CO -0.27 0.63 -0.10 0.82 -1.00 0.00 0.00 179.01 179.08 2pbx h ILE 25 N 0.98 1.27 -0.02 3.13 2.04 -0.49 -0.87 117.51 123.54 2pbx h ILE 25 Ca 0.28 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.90 2pbx h ILE 25 Cb -0.09 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2pbx h ILE 25 CO -0.07 0.45 -0.13 0.00 0.00 0.00 0.00 178.15 178.40 2pbx h ALA 26 N 0.94 -0.13 0.00 1.87 0.00 0.91 0.36 119.26 123.21 2pbx h ALA 26 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pbx h ALA 26 Cb 0.67 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2pbx h ALA 26 CO 0.05 -0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 178.60 2pbx h LEU 27 N -0.21 0.00 0.09 0.00 3.38 -0.65 -0.12 115.31 117.80 2pbx h LEU 27 Ca 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 2pbx h LEU 27 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2pbx h LEU 27 CO -0.15 0.01 -1.17 -0.08 0.09 0.00 0.00 178.44 177.14 2pbx h GLU 28 N 0.00 0.19 0.01 1.13 4.81 0.44 -1.39 114.58 119.77 2pbx h GLU 28 Ca -0.00 -0.32 -0.26 0.00 -0.13 0.00 0.00 59.36 58.64 2pbx h GLU 28 Cb 0.22 0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.74 2pbx h GLU 28 CO 0.00 1.16 -1.05 0.28 -0.73 0.00 0.00 179.01 178.67 2pbx h VAL 29 N 0.05 1.30 -0.01 0.32 2.07 -0.09 -2.59 116.25 117.29 2pbx h VAL 29 Ca -0.10 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 2pbx h VAL 29 Cb 1.91 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 34.09 2pbx h VAL 29 CO 0.18 0.71 -0.01 -0.26 0.02 0.00 0.00 177.57 178.21 2pbx h PHE 30 N 0.36 0.03 -0.41 1.57 -1.00 -1.13 0.68 116.94 117.04 2pbx h PHE 30 Ca -0.13 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.65 2pbx h PHE 30 Cb 1.70 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 41.23 2pbx h PHE 30 CO 0.10 0.44 0.27 0.00 -1.61 0.00 0.00 178.31 177.51 2pbx h ALA 31 N 0.59 1.72 0.00 2.45 0.00 -1.32 1.26 119.26 123.95 2pbx h ALA 31 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pbx h ALA 31 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2pbx h ALA 31 CO 0.00 0.26 -1.23 1.63 0.00 0.00 0.00 179.25 179.91 2pbx n LYS 32 N -4.48 0.61 0.00 0.00 5.02 -0.98 -4.36 118.16 113.97 2pbx n LYS 32 Ca 0.03 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2pbx n LYS 32 Cb 0.07 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 2pbx n LYS 32 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2pbx n ARG 33 N -2.56 1.31 0.00 1.97 1.74 0.23 -5.07 116.66 114.28 2pbx n ARG 33 Ca -0.01 -0.95 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 2pbx n ARG 33 Cb 0.55 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2pbx n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pbx n GLY 34 N -0.24 -0.62 3.55 -0.13 0.00 0.43 -4.61 105.19 103.56 2pbx n GLY 34 Ca 0.00 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 2pbx n GLY 34 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pbx n ILE 35 N 0.13 2.05 0.00 -0.61 2.08 -1.22 -1.68 119.36 120.11 2pbx n ILE 35 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 2pbx n ILE 35 Cb 0.00 -0.85 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 2pbx n ILE 35 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2pbx n GLY 36 N 1.40 1.54 1.65 7.39 0.00 -1.26 -4.81 105.19 111.10 2pbx n GLY 36 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2pbx n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pbx n ARG 37 N -1.52 0.66 -4.07 1.61 0.63 -0.68 -4.76 116.66 108.54 2pbx n ARG 37 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 2pbx n ARG 37 Cb 0.00 -1.17 -0.14 0.00 0.45 0.00 0.00 32.46 31.60 2pbx n ARG 37 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2pbx s GLY 38 N 1.97 0.23 0.17 5.14 0.00 -1.26 -4.83 107.32 108.74 2pbx s GLY 38 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 44.72 44.55 2pbx s GLY 38 CO 0.00 -0.25 -0.20 -0.32 0.00 0.00 0.00 173.10 172.33 2pbx s GLY 39 N -0.36 1.46 0.32 0.20 0.00 -1.26 -5.03 107.32 102.66 2pbx s GLY 39 Ca -0.01 -1.51 0.11 0.00 0.00 0.00 0.00 44.72 43.31 2pbx s GLY 39 CO -0.00 -1.55 1.69 0.45 0.00 0.00 0.00 173.10 173.69 2pbx h HIS 40 N 3.29 0.91 -0.03 1.90 3.86 -1.98 -0.48 115.15 122.62 2pbx h HIS 40 Ca -0.43 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 58.81 2pbx h HIS 40 Cb 1.21 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 2pbx h HIS 40 CO 0.68 -0.07 0.02 0.00 0.86 0.00 0.00 177.93 179.42 2pbx h ALA 41 N 1.78 0.04 -0.98 2.45 0.00 -1.95 -0.52 119.26 120.08 2pbx h ALA 41 Ca 0.67 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.54 2pbx h ALA 41 Cb 1.40 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2pbx h ALA 41 CO -0.55 -0.40 0.65 -0.44 0.00 0.00 0.00 179.25 178.51 2pbx h ASP 42 N -0.06 1.10 -0.66 0.00 3.32 -1.55 0.01 116.42 118.58 2pbx h ASP 42 Ca 0.01 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2pbx h ASP 42 Cb 0.11 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2pbx h ASP 42 CO -0.00 0.78 0.30 0.40 -1.72 0.00 0.00 179.24 179.00 2pbx h ILE 43 N 1.29 1.23 0.16 0.35 2.04 -0.94 -2.18 117.51 119.46 2pbx h ILE 43 Ca 0.37 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2pbx h ILE 43 Cb -0.09 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2pbx h ILE 43 CO -0.10 0.28 -0.07 0.00 0.00 0.00 0.00 178.15 178.26 2pbx h ALA 44 N 1.35 -0.21 -0.93 1.87 0.00 0.24 -1.79 119.26 119.79 2pbx h ALA 44 Ca 0.23 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.12 2pbx h ALA 44 Cb 0.15 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 2pbx h ALA 44 CO -0.02 -0.42 0.52 0.93 0.00 0.00 0.00 179.25 180.25 2pbx h GLU 45 N -0.60 0.67 -0.06 0.00 5.08 -0.93 0.10 114.58 118.85 2pbx h GLU 45 Ca -0.02 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2pbx h GLU 45 Cb 0.45 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2pbx h GLU 45 CO 0.04 0.45 -0.16 0.82 -1.00 0.00 0.00 179.01 179.15 2pbx h ILE 46 N 0.70 1.44 0.00 3.13 2.04 -1.38 -3.26 117.51 120.17 2pbx h ILE 46 Ca 0.52 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2pbx h ILE 46 Cb 0.76 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 2pbx h ILE 46 CO -0.37 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2pbx h ALA 47 N 0.45 1.00 -1.88 1.87 0.00 -0.87 0.15 119.26 119.98 2pbx h ALA 47 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 2pbx h ALA 47 Cb 0.77 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2pbx h ALA 47 CO 0.03 0.00 -0.37 1.04 0.00 0.00 0.00 179.25 179.96 2pbx n GLN 48 N -2.95 -1.17 -3.62 0.00 1.13 -0.02 -4.62 117.38 106.13 2pbx n GLN 48 Ca 0.01 0.79 -0.23 0.00 -1.94 0.00 0.00 57.00 55.63 2pbx n GLN 48 Cb 0.29 -5.09 -0.01 0.00 0.11 0.00 0.00 30.24 25.54 2pbx n GLN 48 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2pbx s VAL 49 N -2.72 2.21 0.29 5.09 -7.23 -1.19 -4.35 120.40 112.51 2pbx s VAL 49 Ca 0.00 -1.36 -0.28 0.00 -1.81 0.00 0.00 61.98 58.53 2pbx s VAL 49 Cb 0.00 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 2pbx s VAL 49 CO 0.00 0.00 0.99 -0.94 -0.31 0.00 0.00 175.10 174.84 2pbx s SER 50 N -4.25 7.38 0.47 4.85 1.04 -1.26 -4.69 113.70 117.25 2pbx s SER 50 Ca 0.45 2.00 0.18 0.00 0.48 0.00 0.00 55.95 59.05 2pbx s SER 50 Cb -0.03 -2.60 1.17 0.00 0.10 0.00 0.00 66.02 64.66 2pbx s SER 50 CO 0.27 -0.04 2.00 0.58 0.98 0.00 0.00 173.24 177.03 2pbx h VAL 51 N 2.88 0.86 -1.00 5.02 2.07 -1.93 -0.84 116.25 123.31 2pbx h VAL 51 Ca -0.46 -0.08 0.20 0.00 0.82 0.00 0.00 66.70 67.18 2pbx h VAL 51 Cb 1.20 0.60 -0.11 0.00 -1.52 0.00 0.00 31.29 31.46 2pbx h VAL 51 CO 0.66 0.04 0.61 0.00 0.02 0.00 0.00 177.57 178.91 2pbx h ALA 52 N 1.74 1.72 0.60 1.67 0.00 -1.98 -2.24 119.26 120.77 2pbx h ALA 52 Ca 0.24 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2pbx h ALA 52 Cb 0.63 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2pbx h ALA 52 CO -0.05 -0.11 -0.37 1.15 0.00 0.00 0.00 179.25 179.88 2pbx h THR 53 N 0.72 0.25 -0.79 0.00 2.02 -1.53 -2.35 112.91 111.22 2pbx h THR 53 Ca 0.59 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.96 2pbx h THR 53 Cb 0.97 0.25 -0.12 0.00 -1.74 0.00 0.00 68.15 67.51 2pbx h THR 53 CO -0.39 0.00 0.19 0.58 0.37 0.00 0.00 175.52 176.27 2pbx h VAL 54 N -0.92 0.43 -0.59 3.16 2.07 -1.50 0.20 116.25 119.10 2pbx h VAL 54 Ca -0.07 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.40 2pbx h VAL 54 Cb 0.74 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2pbx h VAL 54 CO 0.07 0.04 0.34 -0.26 0.02 0.00 0.00 177.57 177.79 2pbx h PHE 55 N 0.24 0.63 -0.39 1.57 0.05 -1.33 -0.87 116.94 116.84 2pbx h PHE 55 Ca 0.47 0.02 0.04 0.00 3.82 0.00 0.00 57.97 62.32 2pbx h PHE 55 Cb 0.85 -0.20 -0.04 0.00 2.00 0.00 0.00 35.95 38.56 2pbx h PHE 55 CO -0.28 0.34 0.15 -0.91 -0.18 0.00 0.00 178.31 177.43 2pbx h ASN 56 N 0.66 0.18 -0.30 2.17 4.21 -0.10 -2.36 115.58 120.04 2pbx h ASN 56 Ca 0.25 0.04 -0.06 0.00 1.21 0.00 0.00 56.30 57.73 2pbx h ASN 56 Cb 0.08 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 2pbx h ASN 56 CO -0.13 0.14 -0.06 1.88 -1.29 0.00 0.00 177.43 177.97 2pbx h TYR 57 N 0.32 0.65 -3.42 1.19 -1.99 -1.09 -3.39 116.97 109.24 2pbx h TYR 57 Ca 0.18 -0.14 -0.64 0.00 2.00 0.00 0.00 58.73 60.13 2pbx h TYR 57 Cb 0.14 -0.16 -0.40 0.00 2.00 0.00 0.00 36.73 38.30 2pbx h TYR 57 CO -0.13 0.76 -0.69 -0.06 -0.00 0.00 0.00 178.16 178.03 2pbx s PHE 58 N -4.80 3.09 0.22 4.88 2.99 -0.36 -5.01 117.98 119.00 2pbx s PHE 58 Ca -0.13 -2.86 -0.17 0.00 0.00 0.00 0.00 56.93 53.76 2pbx s PHE 58 Cb 0.08 -2.62 0.23 0.00 0.00 0.00 0.00 43.02 40.71 2pbx s PHE 58 CO 0.78 -0.84 1.50 -2.30 -0.00 0.00 0.00 175.22 174.36 2pbx n PRO 59 N 3.78 -0.23 -1.91 0.24 -0.02 -0.91 -4.37 135.00 131.58 2pbx n PRO 59 Ca 0.04 1.49 0.00 0.00 -2.02 0.00 0.00 63.50 63.01 2pbx n PRO 59 Cb 0.37 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2pbx n PRO 59 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2pbx n THR 60 N -5.42 0.00 0.09 3.45 -2.24 -1.26 -4.93 114.28 103.97 2pbx n THR 60 Ca 0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.75 2pbx n THR 60 Cb 0.38 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 2pbx n THR 60 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2pbx h ARG 61 N 0.00 0.25 -0.12 -0.78 9.65 -2.00 -2.68 114.38 118.71 2pbx h ARG 61 Ca 0.00 -0.37 -0.01 0.00 -1.10 0.00 0.00 59.98 58.50 2pbx h ARG 61 Cb 0.00 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2pbx h ARG 61 CO 0.00 1.13 0.03 0.93 2.80 0.00 0.00 179.97 184.85 2pbx h GLU 62 N 0.10 0.19 -0.47 0.20 5.08 -1.97 -2.02 114.58 115.69 2pbx h GLU 62 Ca -0.09 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.31 2pbx h GLU 62 Cb 1.79 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.94 2pbx h GLU 62 CO 0.18 0.36 0.04 -0.44 -1.00 0.00 0.00 179.01 178.14 2pbx h ASP 63 N -0.02 -0.12 -0.45 1.42 3.32 -1.92 0.85 116.42 119.51 2pbx h ASP 63 Ca 0.04 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.24 2pbx h ASP 63 Cb 0.25 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 2pbx h ASP 63 CO 0.00 -0.03 0.17 0.25 -1.72 0.00 0.00 179.24 177.91 2pbx h LEU 64 N 0.16 0.19 -0.59 1.55 5.85 -1.30 -2.05 115.31 119.13 2pbx h LEU 64 Ca 0.23 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.86 2pbx h LEU 64 Cb 0.33 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2pbx h LEU 64 CO -0.36 0.14 -0.37 0.58 -0.34 0.00 0.00 178.44 178.10 2pbx h VAL 65 N 0.35 1.29 -0.18 1.05 2.07 -0.60 -2.51 116.25 117.72 2pbx h VAL 65 Ca 0.21 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 2pbx h VAL 65 Cb 0.19 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2pbx h VAL 65 CO -0.20 0.50 -0.14 0.44 0.02 0.00 0.00 177.57 178.19 2pbx h ASP 66 N 0.60 0.43 -0.28 0.57 3.32 -0.66 -2.11 116.42 118.29 2pbx h ASP 66 Ca 0.06 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 2pbx h ASP 66 Cb 0.90 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2pbx h ASP 66 CO 0.08 0.79 0.12 0.44 -1.72 0.00 0.00 179.24 178.95 2pbx h ASP 67 N 0.07 0.39 -0.35 6.45 3.32 -1.43 0.56 116.42 125.42 2pbx h ASP 67 Ca 0.03 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2pbx h ASP 67 Cb 0.65 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2pbx h ASP 67 CO 0.04 0.43 0.18 0.58 -1.72 0.00 0.00 179.24 178.75 2pbx h VAL 68 N 0.31 1.16 -0.16 -1.35 2.07 -1.50 0.65 116.25 117.42 2pbx h VAL 68 Ca 0.10 -0.43 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 2pbx h VAL 68 Cb 0.16 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2pbx h VAL 68 CO -0.01 0.16 -0.50 -0.07 0.02 0.00 0.00 177.57 177.18 2pbx h LEU 69 N 0.44 0.48 -1.34 2.57 3.38 -1.28 0.98 115.31 120.53 2pbx h LEU 69 Ca 0.12 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2pbx h LEU 69 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2pbx h LEU 69 CO -0.02 0.89 -0.32 0.78 0.09 0.00 0.00 178.44 179.87 2pbx h ASN 70 N 0.35 0.00 -0.09 -0.43 2.35 0.63 -1.53 115.58 116.86 2pbx h ASN 70 Ca 0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 2pbx h ASN 70 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2pbx h ASN 70 CO 0.09 0.32 -0.21 0.15 -1.65 0.00 0.00 177.43 176.12 2pbx h PHE 71 N 0.00 0.39 -0.97 1.19 3.57 1.00 -2.06 116.94 120.05 2pbx h PHE 71 Ca -0.00 -0.15 0.11 0.00 3.53 0.00 0.00 57.97 61.46 2pbx h PHE 71 Cb 0.63 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 2pbx h PHE 71 CO 0.00 0.82 0.62 0.28 -2.23 0.00 0.00 178.31 177.80 2pbx h VAL 72 N -0.15 0.96 -0.48 1.41 2.07 -0.51 -0.04 116.25 119.51 2pbx h VAL 72 Ca 0.00 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 2pbx h VAL 72 Cb 0.81 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2pbx h VAL 72 CO 0.05 0.18 -0.12 0.58 0.02 0.00 0.00 177.57 178.28 2pbx h VAL 73 N 0.99 1.27 -0.21 2.57 2.07 -1.19 -2.62 116.25 119.14 2pbx h VAL 73 Ca 0.46 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2pbx h VAL 73 Cb 0.43 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2pbx h VAL 73 CO -0.22 0.43 0.10 -0.09 0.02 0.00 0.00 177.57 177.81 2pbx h ARG 74 N 0.78 0.30 -0.49 1.57 2.43 -0.52 -0.17 114.38 118.28 2pbx h ARG 74 Ca 0.12 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2pbx h ARG 74 Cb 0.67 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 2pbx h ARG 74 CO 0.05 0.31 0.15 1.96 -1.51 0.00 0.00 179.97 180.93 2pbx h GLN 75 N 0.21 0.30 -0.39 0.20 1.08 -0.93 -1.49 115.11 114.09 2pbx h GLN 75 Ca 0.07 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.14 2pbx h GLN 75 Cb 0.10 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2pbx h GLN 75 CO -0.01 0.20 -0.20 -0.92 -0.95 0.00 0.00 178.83 176.95 2pbx h TYR 76 N 0.31 0.87 -0.28 2.96 3.20 -1.35 0.27 116.97 122.95 2pbx h TYR 76 Ca 0.24 -0.19 0.05 0.00 3.14 0.00 0.00 58.73 61.97 2pbx h TYR 76 Cb 0.27 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2pbx h TYR 76 CO -0.18 0.91 -0.00 1.03 -1.64 0.00 0.00 178.16 178.28 2pbx h SER 77 N 0.67 -0.11 0.89 -2.11 0.87 -0.09 0.28 113.55 113.94 2pbx h SER 77 Ca 0.10 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2pbx h SER 77 Cb 0.71 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2pbx h SER 77 CO 0.05 -0.02 -0.40 0.78 -0.53 0.00 0.00 176.83 176.71 2pbx h ASN 78 N 0.08 0.00 -0.57 6.23 2.35 -1.13 -1.95 115.58 120.59 2pbx h ASN 78 Ca 0.13 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2pbx h ASN 78 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 2pbx h ASN 78 CO -0.23 0.40 0.20 0.15 -1.65 0.00 0.00 177.43 176.30 2pbx h PHE 79 N 0.00 0.89 -0.49 1.19 3.57 0.21 -0.23 116.94 122.08 2pbx h PHE 79 Ca -0.00 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.32 2pbx h PHE 79 Cb 0.95 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2pbx h PHE 79 CO 0.00 0.74 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.67 2pbx h LEU 80 N 0.79 0.92 -1.03 0.59 3.38 -0.65 -2.02 115.31 117.29 2pbx h LEU 80 Ca 0.19 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2pbx h LEU 80 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2pbx h LEU 80 CO -0.01 1.05 -0.47 0.74 0.09 0.00 0.00 178.44 179.84 2pbx h THR 81 N 0.78 1.34 -0.03 0.22 2.02 -1.19 0.51 112.91 116.56 2pbx h THR 81 Ca 0.13 -1.63 -0.21 0.00 0.77 0.00 0.00 66.41 65.46 2pbx h THR 81 Cb 0.63 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2pbx h THR 81 CO 0.04 0.47 -0.87 0.44 0.37 0.00 0.00 175.52 175.97 2pbx h ASP 82 N 0.02 0.50 -0.08 4.18 5.19 -0.92 -3.36 116.42 121.94 2pbx h ASP 82 Ca -0.00 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2pbx h ASP 82 Cb 0.85 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2pbx h ASP 82 CO 0.06 1.16 0.00 1.41 -3.12 0.00 0.00 179.24 178.76 2pbx n HIS 83 N -3.77 0.09 -3.74 4.55 8.25 -0.77 -4.91 115.22 114.93 2pbx n HIS 83 Ca -0.06 -0.08 -0.38 0.00 -0.26 0.00 0.00 57.72 56.94 2pbx n HIS 83 Cb 0.79 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.78 2pbx n HIS 83 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2pbx s ILE 84 N -1.10 4.02 -0.43 1.59 1.01 0.15 -4.53 121.20 121.91 2pbx s ILE 84 Ca 0.18 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 2pbx s ILE 84 Cb 0.12 -3.14 0.11 0.00 0.01 0.00 0.00 42.46 39.56 2pbx s ILE 84 CO 0.17 -0.02 0.26 -0.62 0.00 0.00 0.00 174.94 174.73 2pbx s ASP 85 N 1.49 5.46 0.00 3.58 -1.08 -1.26 -4.85 116.67 120.01 2pbx s ASP 85 Ca 0.02 -1.88 0.00 0.00 -0.52 0.00 0.00 52.55 50.17 2pbx s ASP 85 Cb -0.18 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 2pbx s ASP 85 CO 0.03 -0.59 0.79 0.18 0.52 0.00 0.00 175.17 176.10 2pbx n LEU 86 N 4.76 0.00 -0.39 -1.34 4.77 -1.26 -1.67 117.00 121.87 2pbx n LEU 86 Ca -0.06 0.29 0.12 0.00 -0.03 0.00 0.00 56.01 56.33 2pbx n LEU 86 Cb 0.41 -0.29 0.24 0.00 -2.33 0.00 0.00 43.42 41.46 2pbx n LEU 86 CO 0.37 -0.29 0.55 0.47 -1.33 0.00 0.00 177.39 177.16 2pbx n ASP 87 N -1.29 1.52 -4.98 -1.43 8.00 -1.26 -4.95 116.55 112.17 2pbx n ASP 87 Ca 0.00 -1.22 -0.21 0.00 0.71 0.00 0.00 54.79 54.07 2pbx n ASP 87 Cb 0.00 0.24 0.03 0.00 -0.02 0.00 0.00 41.12 41.36 2pbx n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pbx s LEU 88 N -2.42 3.07 0.31 0.64 1.43 -0.67 -5.08 118.68 115.95 2pbx s LEU 88 Ca 0.24 -0.91 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 2pbx s LEU 88 Cb 0.19 -1.65 -0.10 0.00 0.03 0.00 0.00 46.19 44.66 2pbx s LEU 88 CO 0.51 -1.14 1.35 -1.81 0.23 0.00 0.00 176.35 175.50 2pbx s ASP 89 N -4.46 6.71 0.22 2.29 1.01 -1.26 -4.89 116.67 116.30 2pbx s ASP 89 Ca 0.51 2.70 -0.08 0.00 0.71 0.00 0.00 52.55 56.39 2pbx s ASP 89 Cb -0.05 -2.64 0.19 0.00 1.01 0.00 0.00 42.92 41.43 2pbx s ASP 89 CO 0.32 -0.60 1.87 1.62 0.21 0.00 0.00 175.17 178.59 2pbx h VAL 90 N 3.18 1.23 -0.13 -1.27 3.04 -1.94 0.49 116.25 120.86 2pbx h VAL 90 Ca -0.48 -0.50 0.04 0.00 -1.01 0.00 0.00 66.70 64.74 2pbx h VAL 90 Cb 1.22 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 2pbx h VAL 90 CO 0.69 0.24 0.15 0.50 -1.01 0.00 0.00 177.57 178.15 2pbx h LYS 91 N 1.16 0.00 0.08 4.17 3.64 -1.98 -1.26 116.57 122.38 2pbx h LYS 91 Ca 0.31 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.52 2pbx h LYS 91 Cb -0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2pbx h LYS 91 CO -0.06 0.00 -0.81 1.15 -2.27 0.00 0.00 179.45 177.46 2pbx h THR 92 N 0.00 1.39 -1.00 1.00 2.02 -1.33 -3.20 112.91 111.80 2pbx h THR 92 Ca 0.06 -2.41 0.09 0.00 0.77 0.00 0.00 66.41 64.91 2pbx h THR 92 Cb 0.37 3.02 -0.07 0.00 -1.74 0.00 0.00 68.15 69.72 2pbx h THR 92 CO -0.00 0.64 0.64 0.78 0.37 0.00 0.00 175.52 177.95 2pbx h ASN 93 N -0.58 0.99 -0.01 4.18 2.35 -0.38 -1.13 115.58 121.00 2pbx h ASN 93 Ca -0.17 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.49 2pbx h ASN 93 Cb 1.47 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 2pbx h ASN 93 CO 0.05 0.59 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.03 2pbx h LEU 94 N 1.10 0.48 -0.64 1.61 3.38 -1.39 0.40 115.31 120.26 2pbx h LEU 94 Ca 0.45 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 2pbx h LEU 94 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2pbx h LEU 94 CO -0.20 0.78 -0.49 -0.61 0.09 0.00 0.00 178.44 178.01 2pbx h GLN 95 N 0.41 0.49 -0.02 1.13 4.15 -1.35 -0.82 115.11 119.10 2pbx h GLN 95 Ca 0.05 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.15 2pbx h GLN 95 Cb 0.76 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.47 2pbx h GLN 95 CO 0.06 0.87 -0.15 1.79 -1.93 0.00 0.00 178.83 179.47 2pbx h THR 96 N 0.39 1.53 -0.85 2.39 1.35 -0.87 -1.64 112.91 115.20 2pbx h THR 96 Ca 0.02 -1.76 0.15 0.00 -0.55 0.00 0.00 66.41 64.27 2pbx h THR 96 Cb 0.99 2.63 -0.09 0.00 -1.73 0.00 0.00 68.15 69.95 2pbx h THR 96 CO 0.09 0.48 0.43 -0.07 -0.25 0.00 0.00 175.52 176.20 2pbx h LEU 97 N -0.52 0.52 0.06 3.87 3.38 -0.87 0.21 115.31 121.95 2pbx h LEU 97 Ca -0.01 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pbx h LEU 97 Cb 0.85 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2pbx h LEU 97 CO 0.03 0.21 -0.03 0.00 0.09 0.00 0.00 178.44 178.74 2pbx h LYS 99 N -0.68 1.13 -0.43 0.00 1.57 -0.95 0.12 116.57 117.32 2pbx h LYS 99 Ca -0.01 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 2pbx h LYS 99 Cb 0.57 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2pbx h LYS 99 CO 0.01 0.81 -0.01 0.93 -0.57 0.00 0.00 179.45 180.62 2pbx h GLU 100 N 1.13 0.70 -0.30 3.15 4.39 -0.64 0.14 114.58 123.15 2pbx h GLU 100 Ca 0.29 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 2pbx h GLU 100 Cb -0.02 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2pbx h GLU 100 CO -0.05 0.73 0.05 1.98 -1.16 0.00 0.00 179.01 180.56 2pbx h MET 101 N 0.66 0.50 -0.42 2.33 4.05 -0.40 0.03 114.93 121.68 2pbx h MET 101 Ca 0.13 -0.13 0.04 0.00 -0.28 0.00 0.00 59.70 59.45 2pbx h MET 101 Cb 0.43 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 2pbx h MET 101 CO 0.02 0.60 0.20 0.28 0.23 0.00 0.00 176.91 178.24 2pbx h VAL 102 N 0.33 0.96 0.20 -5.77 2.07 -0.27 0.35 116.25 114.11 2pbx h VAL 102 Ca 0.09 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2pbx h VAL 102 Cb 0.34 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2pbx h VAL 102 CO 0.01 0.08 -0.31 0.50 0.02 0.00 0.00 177.57 177.86 2pbx h LYS 103 N 0.41 -0.56 -0.86 1.57 3.64 -0.83 0.36 116.57 120.30 2pbx h LYS 103 Ca 0.18 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 2pbx h LYS 103 Cb 0.10 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 2pbx h LYS 103 CO -0.14 -0.37 0.52 1.25 -2.27 0.00 0.00 179.45 178.44 2pbx h LEU 104 N -0.58 0.77 -0.78 5.20 5.85 -0.55 -1.06 115.31 124.16 2pbx h LEU 104 Ca 0.01 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2pbx h LEU 104 Cb 0.57 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2pbx h LEU 104 CO -0.13 0.45 0.04 0.00 -0.34 0.00 0.00 178.44 178.46 2pbx h ALA 105 N 1.45 0.98 0.00 1.25 0.00 0.49 -2.09 119.26 121.34 2pbx h ALA 105 Ca 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pbx h ALA 105 Cb 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2pbx h ALA 105 CO -0.23 0.63 0.00 -1.33 0.00 0.00 0.00 179.25 178.32 2pbx n MET 106 N -4.20 0.05 -0.41 0.00 2.81 0.12 -0.68 117.12 114.81 2pbx n MET 106 Ca 0.03 0.54 0.11 0.00 -1.81 0.00 0.00 57.70 56.58 2pbx n MET 106 Cb 0.31 -1.66 0.33 0.00 -0.71 0.00 0.00 33.22 31.48 2pbx n MET 106 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2pbx n THR 107 N -1.77 1.15 -3.58 2.03 -1.04 -0.79 -4.95 114.28 105.33 2pbx n THR 107 Ca -0.00 -1.04 -0.21 0.00 -2.04 0.00 0.00 64.05 60.76 2pbx n THR 107 Cb 0.02 0.44 0.07 0.00 -1.82 0.00 0.00 70.33 69.03 2pbx n THR 107 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2pbx n ASP 108 N 1.55 -3.55 -4.65 8.00 2.03 0.15 -4.88 116.55 115.20 2pbx n ASP 108 Ca 0.25 -0.65 -0.42 0.00 0.52 0.00 0.00 54.79 54.49 2pbx n ASP 108 Cb 0.67 -4.78 -0.03 0.00 -0.72 0.00 0.00 41.12 36.26 2pbx n ASP 108 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pbx h HIS 110 N 10.65 1.01 0.00 0.00 -0.00 -1.89 -2.74 115.15 122.18 2pbx h HIS 110 Ca -0.40 -0.23 -0.05 0.00 -0.00 0.00 0.00 60.37 59.69 2pbx h HIS 110 Cb 1.19 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.35 2pbx h HIS 110 CO 0.91 1.01 -0.22 0.11 -0.00 0.00 0.00 177.93 179.74 2pbx h TRP 111 N 0.73 0.00 0.51 2.45 5.08 -1.90 -1.14 115.95 121.69 2pbx h TRP 111 Ca 0.11 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.05 2pbx h TRP 111 Cb 0.70 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.86 2pbx h TRP 111 CO 0.05 0.22 -0.25 1.25 -1.28 0.00 0.00 178.44 178.43 2pbx h LEU 112 N 0.00 -0.58 -0.35 0.11 5.85 -1.92 -0.88 115.31 117.54 2pbx h LEU 112 Ca -0.00 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.74 2pbx h LEU 112 Cb 0.57 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 2pbx h LEU 112 CO 0.03 -0.17 -0.54 0.50 -0.34 0.00 0.00 178.44 177.91 2pbx h LYS 113 N -1.12 -0.41 -0.63 1.25 1.63 -1.37 0.13 116.57 116.04 2pbx h LYS 113 Ca -0.07 0.03 0.13 0.00 -0.85 0.00 0.00 60.65 59.89 2pbx h LYS 113 Cb 0.57 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.26 2pbx h LYS 113 CO 0.12 -0.28 0.43 0.28 -3.45 0.00 0.00 179.45 176.55 2pbx h VAL 114 N -0.43 0.82 -0.04 2.00 2.07 -1.28 -0.05 116.25 119.34 2pbx h VAL 114 Ca 0.07 -0.10 -0.24 0.00 0.82 0.00 0.00 66.70 67.26 2pbx h VAL 114 Cb 0.61 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2pbx h VAL 114 CO -0.56 0.05 -0.92 -0.25 0.02 0.00 0.00 177.57 175.91 2pbx h TRP 115 N 0.30 0.86 0.19 1.57 7.01 0.63 -1.83 115.95 124.67 2pbx h TRP 115 Ca 0.30 -0.44 -0.01 0.00 2.11 0.00 0.00 58.89 60.85 2pbx h TRP 115 Cb 0.78 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.73 2pbx h TRP 115 CO -0.00 1.26 -0.09 0.74 -2.79 0.00 0.00 178.44 177.56 2pbx h PHE 116 N 0.36 -0.23 -0.46 2.65 0.04 -0.07 -1.52 116.94 117.71 2pbx h PHE 116 Ca -0.09 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.74 2pbx h PHE 116 Cb 1.55 0.08 -0.03 0.00 2.20 0.00 0.00 35.95 39.75 2pbx h PHE 116 CO 0.08 0.14 0.31 1.49 -0.60 0.00 0.00 178.31 179.73 2pbx h GLU 117 N -0.65 0.34 0.00 1.51 4.81 -1.13 0.20 114.58 119.66 2pbx h GLU 117 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2pbx h GLU 117 Cb 0.47 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2pbx h GLU 117 CO 0.04 0.23 -0.01 1.87 -0.73 0.00 0.00 179.01 180.41 2pbx n TRP 118 N -4.47 0.65 -0.05 0.92 -0.00 -0.69 -3.44 117.44 110.36 2pbx n TRP 118 Ca 0.06 0.19 -0.09 0.00 -0.00 0.00 0.00 57.50 57.66 2pbx n TRP 118 Cb 0.28 -0.81 -0.15 0.00 -0.00 0.00 0.00 31.31 30.63 2pbx n TRP 118 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2pbx n SER 119 N -2.03 0.62 -2.03 5.87 3.41 0.57 -4.01 113.62 116.02 2pbx n SER 119 Ca 0.06 0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 58.73 2pbx n SER 119 Cb 0.40 0.26 0.12 0.00 -0.26 0.00 0.00 64.21 64.74 2pbx n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pbx n ALA 120 N -2.62 5.22 -2.60 7.33 0.00 -0.41 -4.91 120.51 122.51 2pbx n ALA 120 Ca -0.22 -2.44 -0.39 0.00 0.00 0.00 0.00 53.44 50.39 2pbx n ALA 120 Cb 1.09 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 2pbx n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pbx s SER 121 N -0.89 6.22 0.00 0.00 0.15 -1.22 -4.92 113.70 113.03 2pbx s SER 121 Ca 0.47 0.25 0.23 0.00 0.70 0.00 0.00 55.95 57.59 2pbx s SER 121 Cb 0.39 -2.20 0.07 0.00 -1.71 0.00 0.00 66.02 62.57 2pbx s SER 121 CO 0.06 -0.16 1.12 1.07 1.20 0.00 0.00 173.24 176.53 2pbx n THR 122 N 5.08 0.00 -1.68 6.45 5.66 -1.26 -4.25 114.28 124.27 2pbx n THR 122 Ca -0.09 -0.11 -0.44 0.00 -3.05 0.00 0.00 64.05 60.36 2pbx n THR 122 Cb 0.51 0.91 -0.02 0.00 -1.55 0.00 0.00 70.33 70.18 2pbx n THR 122 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2pbx n ARG 123 N -0.88 2.15 -0.11 1.09 3.00 -1.26 -4.89 116.66 115.75 2pbx n ARG 123 Ca 0.07 0.76 -0.05 0.00 -0.01 0.00 0.00 57.85 58.62 2pbx n ARG 123 Cb 0.38 -2.44 0.02 0.00 0.00 0.00 0.00 32.46 30.43 2pbx n ARG 123 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2pbx h ASP 124 N 4.20 0.07 -0.88 0.55 3.32 -2.03 -2.85 116.42 118.80 2pbx h ASP 124 Ca -0.45 0.05 -0.48 0.00 0.02 0.00 0.00 57.03 56.17 2pbx h ASP 124 Cb 1.27 0.06 -0.19 0.00 0.22 0.00 0.00 39.33 40.69 2pbx h ASP 124 CO 0.75 0.07 0.55 -0.62 -1.72 0.00 0.00 179.24 178.28 2pbx n GLU 125 N -5.06 2.23 0.11 3.56 4.71 -1.26 -4.39 120.64 120.54 2pbx n GLU 125 Ca 0.02 -2.28 0.00 0.00 -0.01 0.00 0.00 57.16 54.89 2pbx n GLU 125 Cb 0.16 -1.95 0.00 0.00 -1.01 0.00 0.00 31.44 28.63 2pbx n GLU 125 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2pbx n VAL 126 N 0.20 0.00 0.10 2.62 0.31 -1.09 -4.93 118.33 115.54 2pbx n VAL 126 Ca 0.44 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.94 2pbx n VAL 126 Cb 0.56 -0.31 0.70 0.00 -0.91 0.00 0.00 33.84 33.87 2pbx n VAL 126 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 2pbx h TRP 127 N 0.00 0.00 -0.89 3.52 5.08 -1.71 -1.90 115.95 120.05 2pbx h TRP 127 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 2pbx h TRP 127 Cb 0.00 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.12 2pbx h TRP 127 CO 0.00 0.00 0.55 -1.35 -1.28 0.00 0.00 178.44 176.36 2pbx h PRO 128 N 0.00 1.20 0.28 0.12 0.11 -1.85 -1.46 132.00 130.39 2pbx h PRO 128 Ca 0.17 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2pbx h PRO 128 Cb 0.69 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2pbx h PRO 128 CO -0.00 0.83 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.41 2pbx h LEU 129 N 1.22 -0.32 -0.50 2.35 3.38 -1.72 -1.67 115.31 118.04 2pbx h LEU 129 Ca 0.32 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2pbx h LEU 129 Cb -0.07 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 2pbx h LEU 129 CO -0.06 -0.03 -0.41 0.15 0.09 0.00 0.00 178.44 178.18 2pbx h PHE 130 N -0.63 -1.20 -1.01 1.13 3.57 -1.33 0.35 116.94 117.84 2pbx h PHE 130 Ca -0.04 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.63 2pbx h PHE 130 Cb 0.45 0.60 -0.08 0.00 2.79 0.00 0.00 35.95 39.71 2pbx h PHE 130 CO 0.01 -0.42 0.64 0.28 -2.23 0.00 0.00 178.31 176.59 2pbx h VAL 131 N -0.26 1.01 -0.01 1.41 2.07 -1.23 0.15 116.25 119.39 2pbx h VAL 131 Ca 0.17 -0.37 -0.26 0.00 0.82 0.00 0.00 66.70 67.06 2pbx h VAL 131 Cb 0.57 -0.18 0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2pbx h VAL 131 CO -0.63 0.20 -1.00 0.77 0.02 0.00 0.00 177.57 176.93 2pbx h SER 132 N 1.09 0.89 -0.04 0.57 4.64 -0.11 -2.47 113.55 118.13 2pbx h SER 132 Ca 0.47 -0.73 -0.12 0.00 -0.47 0.00 0.00 61.79 60.93 2pbx h SER 132 Cb 0.32 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2pbx h SER 132 CO -0.22 1.51 -0.43 0.00 -0.87 0.00 0.00 176.83 176.82 2pbx h THR 133 N 0.37 1.43 -0.18 2.95 1.03 -0.07 -3.13 112.91 115.30 2pbx h THR 133 Ca -0.12 -1.89 0.00 0.00 -0.01 0.00 0.00 66.41 64.39 2pbx h THR 133 Cb 1.65 2.45 0.00 0.00 -1.07 0.00 0.00 68.15 71.18 2pbx h THR 133 CO 0.20 0.54 0.00 -3.20 -0.01 0.00 0.00 175.52 173.05 2pbx n ASN 134 N -4.34 1.50 0.28 0.00 5.15 0.50 -4.19 115.26 114.16 2pbx n ASN 134 Ca -0.09 -2.09 0.17 0.00 -0.60 0.00 0.00 54.58 51.96 2pbx n ASN 134 Cb 0.57 -0.29 0.82 0.00 -0.53 0.00 0.00 39.78 40.36 2pbx n ASN 134 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2pbx h ARG 135 N 1.12 0.00 0.00 1.20 2.43 -1.38 -1.70 114.38 116.04 2pbx h ARG 135 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pbx h ARG 135 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2pbx h ARG 135 CO 0.05 0.06 -1.40 2.41 -1.51 0.00 0.00 179.97 179.58 2pbx n THR 136 N -3.30 0.17 0.08 0.20 -1.04 -1.26 -2.87 114.28 106.27 2pbx n THR 136 Ca -0.01 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.05 61.53 2pbx n THR 136 Cb 0.23 0.11 -0.07 0.00 -1.82 0.00 0.00 70.33 68.78 2pbx n THR 136 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2pbx h ASN 137 N 0.00 0.20 -0.19 8.00 -0.26 -1.73 -1.82 115.58 119.78 2pbx h ASN 137 Ca 0.00 -0.19 -0.10 0.00 -0.56 0.00 0.00 56.30 55.45 2pbx h ASN 137 Cb 0.86 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 38.04 2pbx h ASN 137 CO 0.00 1.08 -0.21 1.56 -1.06 0.00 0.00 177.43 178.79 2pbx h GLN 138 N 0.06 0.64 -0.55 0.81 4.20 -1.43 -2.42 115.11 116.42 2pbx h GLN 138 Ca -0.05 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 2pbx h GLN 138 Cb 1.69 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.41 2pbx h GLN 138 CO 0.15 0.81 0.23 1.25 -0.67 0.00 0.00 178.83 180.59 2pbx h LEU 139 N 0.56 0.71 0.90 1.46 7.12 -1.33 -0.51 115.31 124.22 2pbx h LEU 139 Ca 0.08 -0.08 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 2pbx h LEU 139 Cb 0.67 -0.18 0.01 0.00 -0.53 0.00 0.00 40.66 40.63 2pbx h LEU 139 CO 0.05 0.63 -0.43 -0.07 -0.13 0.00 0.00 178.44 178.49 2pbx h LEU 140 N 0.78 -1.02 -1.38 2.25 3.38 -0.83 0.20 115.31 118.68 2pbx h LEU 140 Ca 0.19 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2pbx h LEU 140 Cb 0.13 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2pbx h LEU 140 CO -0.02 -0.68 0.49 0.40 0.09 0.00 0.00 178.44 178.72 2pbx h ILE 141 N -1.32 0.99 -0.51 1.22 2.04 -1.47 -0.05 117.51 118.42 2pbx h ILE 141 Ca -0.12 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 2pbx h ILE 141 Cb 0.93 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2pbx h ILE 141 CO 0.20 0.13 0.17 -0.09 0.00 0.00 0.00 178.15 178.56 2pbx h ARG 142 N 0.73 0.79 -0.66 2.37 2.43 -0.92 -2.36 114.38 116.76 2pbx h ARG 142 Ca 0.33 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2pbx h ARG 142 Cb 0.33 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2pbx h ARG 142 CO -0.11 0.73 0.22 -0.97 -1.51 0.00 0.00 179.97 178.32 2pbx h ASN 143 N 0.69 0.96 0.07 -3.80 -1.24 0.49 -0.48 115.58 112.27 2pbx h ASN 143 Ca 0.17 -0.20 0.01 0.00 0.71 0.00 0.00 56.30 56.99 2pbx h ASN 143 Cb 0.26 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 39.02 2pbx h ASN 143 CO -0.01 0.90 -0.46 -0.03 -1.29 0.00 0.00 177.43 176.55 2pbx h MET 144 N 0.96 -0.60 -0.85 6.67 4.05 -0.68 -0.64 114.93 123.85 2pbx h MET 144 Ca 0.22 0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.72 2pbx h MET 144 Cb 0.28 0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.16 2pbx h MET 144 CO -0.01 -0.40 0.54 0.74 0.23 0.00 0.00 176.91 178.01 2pbx h PHE 145 N -0.62 1.01 -0.72 1.39 0.05 -1.38 -2.25 116.94 114.41 2pbx h PHE 145 Ca -0.00 0.03 0.11 0.00 3.82 0.00 0.00 57.97 61.92 2pbx h PHE 145 Cb 0.64 -0.33 -0.08 0.00 2.00 0.00 0.00 35.95 38.18 2pbx h PHE 145 CO -0.45 0.56 0.34 0.52 -0.18 0.00 0.00 178.31 179.10 2pbx h MET 146 N 1.03 0.55 -0.35 1.51 2.86 -0.26 -1.35 114.93 118.92 2pbx h MET 146 Ca 0.35 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.81 2pbx h MET 146 Cb 0.05 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2pbx h MET 146 CO -0.13 0.36 -0.35 -0.22 1.06 0.00 0.00 176.91 177.63 2pbx h LYS 147 N 0.56 0.85 -0.20 1.72 3.64 -0.80 -2.80 116.57 119.54 2pbx h LYS 147 Ca 0.37 -0.45 0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2pbx h LYS 147 Cb 0.43 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2pbx h LYS 147 CO -0.30 1.09 0.18 0.00 -2.27 0.00 0.00 179.45 178.15 2pbx h ALA 148 N 0.75 2.00 0.16 5.00 0.00 -0.70 -2.61 119.26 123.85 2pbx h ALA 148 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2pbx h ALA 148 Cb 0.94 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2pbx h ALA 148 CO 0.09 -0.28 -0.08 0.52 0.00 0.00 0.00 179.25 179.50 2pbx h MET 149 N 0.00 -0.21 -0.33 0.00 2.86 -1.02 -2.98 114.93 113.25 2pbx h MET 149 Ca 0.10 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2pbx h MET 149 Cb 0.45 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 2pbx h MET 149 CO -0.00 -0.14 -0.19 0.39 1.06 0.00 0.00 176.91 178.03 2pbx n GLU 150 N -2.94 -0.14 0.00 1.72 1.02 -1.03 0.34 120.64 119.61 2pbx n GLU 150 Ca -0.03 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 2pbx n GLU 150 Cb 0.08 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2pbx n GLU 150 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pbx n ARG 151 N -3.70 0.00 -0.71 3.49 1.74 -1.01 -4.88 116.66 111.59 2pbx n ARG 151 Ca 0.01 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 2pbx n ARG 151 Cb 0.08 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2pbx n ARG 151 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pbx n GLY 152 N -1.30 -3.13 0.00 -0.13 0.00 0.15 -5.02 105.19 95.76 2pbx n GLY 152 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2pbx n GLY 152 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pbx n GLU 153 N 0.09 0.00 -3.75 1.61 2.13 -1.19 -4.95 120.64 114.58 2pbx n GLU 153 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2pbx n GLU 153 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 2pbx n GLU 153 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2pbx s LEU 154 N 0.00 3.58 -0.32 4.31 1.02 -1.13 -3.07 118.68 123.07 2pbx s LEU 154 Ca 0.00 -0.36 -0.34 0.00 0.02 0.00 0.00 54.13 53.44 2pbx s LEU 154 Cb 0.00 -1.91 -0.11 0.00 0.02 0.00 0.00 46.19 44.19 2pbx s LEU 154 CO 0.00 -0.09 2.18 0.00 0.02 0.00 0.00 176.35 178.46 2pbx h GLU 156 N 12.57 0.16 -4.03 0.00 5.08 -1.95 -3.17 114.58 123.24 2pbx h GLU 156 Ca -0.30 -0.01 -0.74 0.00 -1.00 0.00 0.00 59.36 57.31 2pbx h GLU 156 Cb 1.31 -0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.40 2pbx h GLU 156 CO 1.01 0.10 2.22 1.63 -1.00 0.00 0.00 179.01 182.97 2pbx n LYS 157 N -5.22 3.35 -3.67 2.33 5.02 -1.26 -4.74 118.16 113.96 2pbx n LYS 157 Ca 0.29 -3.32 -0.11 0.00 -2.02 0.00 0.00 58.31 53.15 2pbx n LYS 157 Cb 0.94 -3.09 -0.09 0.00 -0.02 0.00 0.00 35.03 32.78 2pbx n LYS 157 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2pbx s HIS 158 N 1.61 -0.74 -0.23 2.13 3.76 -1.20 -5.13 115.29 115.50 2pbx s HIS 158 Ca 0.43 1.63 -0.29 0.00 -0.15 0.00 0.00 55.06 56.68 2pbx s HIS 158 Cb 0.08 0.34 0.01 0.00 1.11 0.00 0.00 32.58 34.12 2pbx s HIS 158 CO -0.01 -0.37 1.06 0.34 -0.85 0.00 0.00 174.74 174.90 2pbx s ASP 159 N 0.94 7.08 0.37 1.40 -1.08 -1.26 -4.92 116.67 119.20 2pbx s ASP 159 Ca -0.05 1.39 0.04 0.00 -0.52 0.00 0.00 52.55 53.42 2pbx s ASP 159 Cb -0.05 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.58 2pbx s ASP 159 CO -0.08 -0.68 2.01 -0.37 0.52 0.00 0.00 175.17 176.56 2pbx h VAL 160 N 5.46 1.11 -0.50 1.11 -1.51 -1.97 0.51 116.25 120.47 2pbx h VAL 160 Ca -0.20 -0.26 -0.12 0.00 -1.23 0.00 0.00 66.70 64.89 2pbx h VAL 160 Cb 1.06 0.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.48 2pbx h VAL 160 CO 0.98 0.14 -0.15 0.44 -1.23 0.00 0.00 177.57 177.75 2pbx h ASP 161 N 0.76 0.97 0.15 4.19 3.32 -1.93 -1.45 116.42 122.42 2pbx h ASP 161 Ca 0.24 -0.33 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 2pbx h ASP 161 Cb 0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 2pbx h ASP 161 CO -0.06 1.11 -0.52 0.78 -1.72 0.00 0.00 179.24 178.82 2pbx h ASN 162 N 0.84 0.46 -0.40 6.45 2.35 -1.45 -0.85 115.58 122.99 2pbx h ASN 162 Ca 0.12 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2pbx h ASN 162 Cb 0.71 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2pbx h ASN 162 CO 0.05 0.90 0.19 0.24 -1.65 0.00 0.00 177.43 177.16 2pbx h MET 163 N 0.32 0.57 -0.02 0.81 2.86 0.20 0.72 114.93 120.40 2pbx h MET 163 Ca 0.01 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2pbx h MET 163 Cb 1.03 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2pbx h MET 163 CO 0.09 0.50 -0.08 0.00 1.06 0.00 0.00 176.91 178.48 2pbx h ALA 164 N 1.04 -0.06 -0.26 6.32 0.00 -1.08 0.17 119.26 125.38 2pbx h ALA 164 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pbx h ALA 164 Cb 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2pbx h ALA 164 CO -0.02 -0.56 0.15 0.77 0.00 0.00 0.00 179.25 179.59 2pbx h SER 165 N -0.12 0.32 -0.74 0.00 0.02 -0.76 -1.98 113.55 110.29 2pbx h SER 165 Ca 0.04 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2pbx h SER 165 Cb 0.17 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 2pbx h SER 165 CO -0.09 0.29 0.49 0.25 -1.14 0.00 0.00 176.83 176.63 2pbx h LEU 166 N 0.33 0.83 0.57 5.07 5.85 0.76 -2.52 115.31 126.20 2pbx h LEU 166 Ca 0.09 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2pbx h LEU 166 Cb 0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2pbx h LEU 166 CO -0.02 0.60 -0.42 0.15 -0.34 0.00 0.00 178.44 178.41 2pbx h PHE 167 N 0.98 -1.12 -0.95 1.25 3.57 -0.39 -1.24 116.94 119.04 2pbx h PHE 167 Ca 0.28 -0.00 0.29 0.00 3.53 0.00 0.00 57.97 62.07 2pbx h PHE 167 Cb -0.09 0.41 -0.15 0.00 2.79 0.00 0.00 35.95 38.92 2pbx h PHE 167 CO -0.02 -0.60 0.40 1.25 -2.23 0.00 0.00 178.31 177.10 2pbx h HIS 168 N -0.95 0.63 -0.59 0.41 2.76 -1.15 0.89 115.15 117.15 2pbx h HIS 168 Ca -0.07 0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 2pbx h HIS 168 Cb 0.80 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 2pbx h HIS 168 CO -0.15 -0.23 0.06 0.78 -1.30 0.00 0.00 177.93 177.08 2pbx h GLY 169 N 0.23 1.08 0.89 5.26 0.00 -0.97 0.15 103.07 109.71 2pbx h GLY 169 Ca 0.66 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2pbx h GLY 169 CO -0.66 0.69 0.06 -2.22 0.00 0.00 0.00 176.54 174.41 2pbx h ILE 170 N 0.90 1.23 -0.32 2.60 2.04 0.14 0.80 117.51 124.88 2pbx h ILE 170 Ca 0.17 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.32 2pbx h ILE 170 Cb 0.48 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 2pbx h ILE 170 CO 0.02 0.25 -0.52 0.15 0.00 0.00 0.00 178.15 178.05 2pbx h PHE 171 N 0.30 -1.56 -0.85 1.37 3.57 0.94 -0.06 116.94 120.64 2pbx h PHE 171 Ca 0.09 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.71 2pbx h PHE 171 Cb 0.32 0.73 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 2pbx h PHE 171 CO 0.02 -0.50 0.54 -0.92 -2.23 0.00 0.00 178.31 175.22 2pbx h TYR 172 N -0.44 1.00 -0.78 0.41 3.20 -0.58 -0.19 116.97 119.58 2pbx h TYR 172 Ca 0.08 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2pbx h TYR 172 Cb 0.62 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 2pbx h TYR 172 CO -0.66 0.53 0.34 1.03 -1.64 0.00 0.00 178.16 177.77 2pbx h SER 173 N 1.00 1.05 -0.15 -2.11 0.87 0.41 -1.73 113.55 112.90 2pbx h SER 173 Ca 0.36 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2pbx h SER 173 Cb 0.11 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2pbx h SER 173 CO -0.15 0.91 0.02 0.40 -0.53 0.00 0.00 176.83 177.49 2pbx h ILE 174 N 1.13 1.22 -0.92 2.23 2.04 -0.33 -3.07 117.51 119.81 2pbx h ILE 174 Ca 0.27 -0.70 0.21 0.00 1.00 0.00 0.00 64.86 65.63 2pbx h ILE 174 Cb 0.17 1.41 -0.12 0.00 -0.74 0.00 0.00 36.82 37.54 2pbx h ILE 174 CO -0.03 0.21 0.47 0.15 0.00 0.00 0.00 178.15 178.96 2pbx h PHE 175 N 0.02 0.81 -0.23 1.37 3.57 -0.47 0.24 116.94 122.25 2pbx h PHE 175 Ca 0.04 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 2pbx h PHE 175 Cb 0.30 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2pbx h PHE 175 CO 0.02 0.06 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.73 2pbx h LEU 176 N 0.53 0.51 0.49 0.59 3.38 -1.28 -1.56 115.31 117.96 2pbx h LEU 176 Ca 0.56 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 2pbx h LEU 176 Cb 1.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2pbx h LEU 176 CO -0.47 0.83 -0.23 1.56 0.09 0.00 0.00 178.44 180.22 2pbx h GLN 177 N 0.42 -0.63 -0.08 1.13 1.08 -0.87 -2.33 115.11 113.83 2pbx h GLN 177 Ca 0.05 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 2pbx h GLN 177 Cb 0.81 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 28.34 2pbx h GLN 177 CO 0.07 -0.33 -0.19 -0.24 -0.95 0.00 0.00 178.83 177.18 2pbx h VAL 178 N -0.87 0.53 0.00 -0.54 3.04 -1.40 -0.26 116.25 116.76 2pbx h VAL 178 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2pbx h VAL 178 Cb 0.58 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2pbx h VAL 178 CO 0.11 0.00 0.06 -3.20 -1.01 0.00 0.00 177.57 173.53 2pbx n ASN 179 N -5.33 0.29 0.00 3.17 2.85 -0.59 -0.26 115.26 115.39 2pbx n ASN 179 Ca -0.04 0.60 0.00 0.00 -0.11 0.00 0.00 54.58 55.04 2pbx n ASN 179 Cb 0.24 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.64 2pbx n ASN 179 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2pbx n ARG 180 N -1.88 0.00 0.24 1.20 1.74 -0.24 -4.75 116.66 112.97 2pbx n ARG 180 Ca -0.01 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.21 2pbx n ARG 180 Cb 0.08 -0.39 0.39 0.00 -1.02 0.00 0.00 32.46 31.52 2pbx n ARG 180 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2pbx h LEU 181 N 0.00 0.00 -1.29 0.55 3.38 -1.27 -3.48 115.31 113.21 2pbx h LEU 181 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 2pbx h LEU 181 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2pbx h LEU 181 CO 0.00 0.03 -0.80 0.61 0.09 0.00 0.00 178.44 178.36 2pbx n GLY 182 N 0.62 -0.41 3.04 0.83 0.00 0.63 -4.94 105.19 104.97 2pbx n GLY 182 Ca 0.02 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2pbx n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pbx s GLU 183 N -6.55 2.75 0.34 1.61 2.02 -1.26 -4.93 118.70 112.68 2pbx s GLU 183 Ca 0.46 -3.00 0.14 0.00 0.02 0.00 0.00 54.97 52.59 2pbx s GLU 183 Cb -0.24 -3.71 1.10 0.00 0.10 0.00 0.00 34.13 31.38 2pbx s GLU 183 CO 0.85 -1.23 1.63 0.37 0.02 0.00 0.00 175.26 176.90 2pbx h GLN 184 N 6.23 0.17 0.85 1.61 4.15 -1.93 0.54 115.11 126.73 2pbx h GLN 184 Ca 0.08 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 2pbx h GLN 184 Cb 0.85 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.51 2pbx h GLN 184 CO 0.76 0.11 -0.41 0.93 -1.93 0.00 0.00 178.83 178.30 2pbx h GLU 185 N 0.18 -1.10 -0.35 1.69 4.39 -2.01 -1.83 114.58 115.55 2pbx h GLU 185 Ca 0.74 0.08 0.06 0.00 0.34 0.00 0.00 59.36 60.57 2pbx h GLU 185 Cb 1.75 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 30.63 2pbx h GLU 185 CO -0.69 -0.73 0.24 0.00 -1.16 0.00 0.00 179.01 176.67 2pbx h ALA 186 N -1.41 2.04 -0.04 3.43 0.00 -1.22 -2.31 119.26 119.75 2pbx h ALA 186 Ca -0.12 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 2pbx h ALA 186 Cb 0.88 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2pbx h ALA 186 CO 0.19 -0.11 -0.77 0.28 0.00 0.00 0.00 179.25 178.83 2pbx h VAL 187 N 0.23 1.41 -0.78 0.00 2.07 0.05 -1.84 116.25 117.40 2pbx h VAL 187 Ca 0.16 -2.28 -0.04 0.00 0.82 0.00 0.00 66.70 65.36 2pbx h VAL 187 Cb 0.34 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 2pbx h VAL 187 CO -0.03 0.68 0.33 1.88 0.02 0.00 0.00 177.57 180.44 2pbx h TYR 188 N 0.21 1.17 -0.31 1.57 0.05 -0.75 -0.72 116.97 118.18 2pbx h TYR 188 Ca -0.04 -0.08 -0.09 0.00 0.05 0.00 0.00 58.73 58.57 2pbx h TYR 188 Cb 1.36 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 2pbx h TYR 188 CO 0.04 0.88 -0.16 0.87 -1.05 0.00 0.00 178.16 178.73 2pbx h LYS 189 N 1.12 0.66 -0.48 4.88 1.57 -1.46 -2.38 116.57 120.48 2pbx h LYS 189 Ca 0.26 -0.30 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2pbx h LYS 189 Cb 0.19 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 2pbx h LYS 189 CO -0.02 0.89 0.07 1.25 -0.57 0.00 0.00 179.45 181.07 2pbx h LEU 190 N 0.42 -0.05 -2.02 2.94 5.85 -0.96 0.30 115.31 121.79 2pbx h LEU 190 Ca 0.07 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2pbx h LEU 190 Cb 0.70 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 2pbx h LEU 190 CO 0.05 0.01 -0.09 0.00 -0.34 0.00 0.00 178.44 178.06 2pbx h ALA 191 N 1.38 1.44 0.06 1.25 0.00 -0.98 0.24 119.26 122.65 2pbx h ALA 191 Ca 0.24 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 2pbx h ALA 191 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2pbx h ALA 191 CO -0.33 0.12 -1.11 -0.44 0.00 0.00 0.00 179.25 177.48 2pbx h ASP 192 N 0.00 0.19 0.50 0.00 3.32 -0.13 -2.67 116.42 117.63 2pbx h ASP 192 Ca -0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2pbx h ASP 192 Cb 0.23 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2pbx h ASP 192 CO 0.01 1.16 -0.24 -1.28 -1.72 0.00 0.00 179.24 177.17 2pbx h SER 193 N 0.03 -0.57 0.39 6.45 0.87 0.10 -1.81 113.55 119.01 2pbx h SER 193 Ca -0.07 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2pbx h SER 193 Cb 1.86 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.95 2pbx h SER 193 CO 0.16 -0.36 -0.31 1.88 -0.53 0.00 0.00 176.83 177.67 2pbx h TYR 194 N -0.73 -0.83 -0.51 2.24 0.05 -1.11 -2.82 116.97 113.26 2pbx h TYR 194 Ca -0.07 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.84 2pbx h TYR 194 Cb 0.54 0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.57 2pbx h TYR 194 CO -0.03 -0.46 0.36 -0.07 -1.05 0.00 0.00 178.16 176.91 2pbx h LEU 195 N -0.70 0.12 -0.02 3.88 3.38 -1.49 0.23 115.31 120.70 2pbx h LEU 195 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pbx h LEU 195 Cb 0.61 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2pbx h LEU 195 CO -0.02 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.17 2pbx n ASN 196 N -4.42 0.23 0.02 -0.43 3.02 -0.68 -2.60 115.26 110.40 2pbx n ASN 196 Ca 0.09 0.52 0.12 0.00 -0.03 0.00 0.00 54.58 55.28 2pbx n ASN 196 Cb 0.50 -0.59 0.15 0.00 -0.61 0.00 0.00 39.78 39.23 2pbx n ASN 196 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2pbx n MET 197 N -1.72 0.16 -0.80 3.52 2.81 0.78 -4.91 117.12 116.97 2pbx n MET 197 Ca 0.06 0.02 -0.15 0.00 -1.81 0.00 0.00 57.70 55.83 2pbx n MET 197 Cb 0.35 -1.58 0.11 0.00 -0.71 0.00 0.00 33.22 31.39 2pbx n MET 197 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2pbx n LEU 198 N -1.80 0.00 0.00 4.03 4.77 -1.03 -5.09 117.00 117.88 2pbx n LEU 198 Ca 0.04 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2pbx n LEU 198 Cb 0.39 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2pbx n LEU 198 CO 0.37 -1.19 0.00 0.00 -1.33 0.00 0.00 177.39 175.25 2pbx n ILE 200 N 0.00 -0.81 -0.25 0.00 -0.00 -1.26 -4.94 119.36 112.10 2pbx n ILE 200 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 2pbx n ILE 200 Cb 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 39.64 38.78 2pbx n ILE 200 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33