#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g88 n PHE 2 N 0.00 -1.88 -1.82 2.03 0.99 -1.26 -5.03 117.46 110.49 3g88 n PHE 2 Ca 0.00 1.11 0.00 0.00 -0.00 0.00 0.00 57.45 58.56 3g88 n PHE 2 Cb 0.00 -2.16 0.00 0.00 -1.00 0.00 0.00 39.48 36.32 3g88 n PHE 2 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3g88 n GLY 4 N 2.09 -3.37 3.51 1.37 0.00 -1.26 -4.02 105.19 103.51 3g88 n GLY 4 Ca -0.10 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 3g88 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g88 s LYS 5 N -1.37 2.57 0.03 1.61 1.02 -1.26 -0.91 119.74 121.42 3g88 s LYS 5 Ca 0.00 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.41 3g88 s LYS 5 Cb 0.00 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 3g88 s LYS 5 CO 0.00 0.63 -0.23 -1.01 -0.92 0.00 0.00 175.35 173.83 3g88 s HIS 6 N -0.77 1.99 0.23 3.18 3.76 -1.26 -4.96 115.29 117.46 3g88 s HIS 6 Ca 0.12 -0.38 -0.00 0.00 -0.15 0.00 0.00 55.06 54.64 3g88 s HIS 6 Cb -0.11 -1.21 0.24 0.00 1.11 0.00 0.00 32.58 32.61 3g88 s HIS 6 CO 0.01 0.07 1.60 -1.35 -0.85 0.00 0.00 174.74 174.22 3g88 h PRO 7 N 5.03 0.50 0.00 8.40 0.11 -2.00 -3.38 132.00 140.66 3g88 h PRO 7 Ca -0.43 -0.26 -0.02 0.00 0.11 0.00 0.00 66.00 65.40 3g88 h PRO 7 Cb 1.15 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3g88 h PRO 7 CO 0.45 0.84 -0.51 0.41 -0.21 0.00 0.00 178.00 178.97 3g88 n GLY 8 N -0.00 4.75 0.00 -0.55 0.00 -1.26 -5.06 105.19 103.06 3g88 n GLY 8 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3g88 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g88 n GLY 9 N -1.00 1.38 3.76 -0.02 0.00 -1.26 -4.75 105.19 103.31 3g88 n GLY 9 Ca 0.18 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3g88 n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g88 s LEU 10 N 0.00 4.39 1.16 0.99 1.43 -1.26 -4.77 118.68 120.62 3g88 s LEU 10 Ca 0.00 2.75 -0.15 0.00 -1.03 0.00 0.00 54.13 55.70 3g88 s LEU 10 Cb 0.00 -3.64 0.27 0.00 0.03 0.00 0.00 46.19 42.84 3g88 s LEU 10 CO 0.00 -0.66 1.05 -0.94 0.23 0.00 0.00 176.35 176.03 3g88 s SER 11 N -0.12 1.20 0.23 2.29 1.04 -1.26 -4.69 113.70 112.38 3g88 s SER 11 Ca 0.53 1.13 -0.08 0.00 0.48 0.00 0.00 55.95 58.02 3g88 s SER 11 Cb -0.42 -1.74 0.26 0.00 0.10 0.00 0.00 66.02 64.22 3g88 s SER 11 CO 0.51 -4.01 1.86 -0.08 0.98 0.00 0.00 173.24 172.51 3g88 h GLU 12 N -2.49 0.97 -0.46 4.02 4.81 -1.33 -0.53 114.58 119.56 3g88 h GLU 12 Ca -0.55 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.57 3g88 h GLU 12 Cb 1.33 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3g88 h GLU 12 CO 0.48 0.64 0.08 -0.09 -0.73 0.00 0.00 179.01 179.38 3g88 h ARG 13 N 1.00 0.76 -0.51 1.92 2.43 -1.77 -1.59 114.38 116.62 3g88 h ARG 13 Ca 0.33 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3g88 h ARG 13 Cb 0.04 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3g88 h ARG 13 CO -0.13 0.78 0.34 0.78 -1.51 0.00 0.00 179.97 180.23 3g88 h GLY 14 N 0.63 0.72 0.93 2.80 0.00 -1.79 0.57 103.07 106.93 3g88 h GLY 14 Ca 0.14 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3g88 h GLY 14 CO 0.01 0.26 0.08 3.21 0.00 0.00 0.00 176.54 180.10 3g88 h ARG 15 N 0.70 0.17 -0.48 4.80 3.08 -1.02 -1.69 114.38 119.92 3g88 h ARG 15 Ca 0.19 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.25 3g88 h ARG 15 Cb -0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3g88 h ARG 15 CO -0.04 0.11 0.28 0.00 -1.07 0.00 0.00 179.97 179.25 3g88 h ALA 16 N 1.08 0.62 -0.71 0.04 0.00 -0.93 -1.25 119.26 118.11 3g88 h ALA 16 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3g88 h ALA 16 Cb 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3g88 h ALA 16 CO -0.05 -0.03 0.45 -0.07 0.00 0.00 0.00 179.25 179.56 3g88 h LEU 17 N 0.57 0.76 -0.19 0.00 3.38 -0.73 -0.14 115.31 118.96 3g88 h LEU 17 Ca 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3g88 h LEU 17 Cb 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3g88 h LEU 17 CO -0.09 0.53 0.05 0.25 0.09 0.00 0.00 178.44 179.27 3g88 h LEU 18 N 0.90 0.28 -0.73 1.67 5.85 -0.97 -0.02 115.31 122.30 3g88 h LEU 18 Ca 0.28 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3g88 h LEU 18 Cb -0.02 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3g88 h LEU 18 CO -0.09 0.42 0.24 -0.07 -0.34 0.00 0.00 178.44 178.60 3g88 h LEU 19 N 0.12 1.04 -0.30 2.25 3.38 -1.00 -0.36 115.31 120.44 3g88 h LEU 19 Ca 0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3g88 h LEU 19 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3g88 h LEU 19 CO -0.00 0.96 -0.04 -0.08 0.09 0.00 0.00 178.44 179.37 3g88 h GLU 20 N 1.07 0.56 -0.70 1.13 4.81 -0.91 -1.21 114.58 119.32 3g88 h GLU 20 Ca 0.24 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3g88 h GLU 20 Cb 0.28 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3g88 h GLU 20 CO -0.01 0.73 0.39 0.78 -0.73 0.00 0.00 179.01 180.17 3g88 h GLY 21 N 0.33 1.04 0.93 1.92 0.00 -0.87 -2.05 103.07 104.38 3g88 h GLY 21 Ca 0.08 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.95 3g88 h GLY 21 CO 0.02 0.45 0.12 -1.33 0.00 0.00 0.00 176.54 175.80 3g88 h GLY 22 N 0.96 0.30 0.78 4.60 0.00 -0.81 -2.48 103.07 106.41 3g88 h GLY 22 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.54 3g88 h GLY 22 CO -0.04 0.08 0.51 0.50 0.00 0.00 0.00 176.54 177.59 3g88 h LYS 23 N 0.25 0.92 0.00 4.80 6.56 -0.92 0.63 116.57 128.81 3g88 h LYS 23 Ca 0.09 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.62 3g88 h LYS 23 Cb 0.01 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 31.46 3g88 h LYS 23 CO -0.05 0.61 -0.01 0.00 -2.06 0.00 0.00 179.45 177.94 3g88 h ALA 24 N 1.37 1.84 -0.01 3.86 0.00 -0.99 -0.46 119.26 124.87 3g88 h ALA 24 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3g88 h ALA 24 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3g88 h ALA 24 CO -0.15 0.01 -0.14 1.28 0.00 0.00 0.00 179.25 180.25 3g88 n LEU 25 N -4.31 1.13 0.00 0.00 4.77 -0.28 -4.92 117.00 113.38 3g88 n LEU 25 Ca -0.03 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3g88 n LEU 25 Cb 0.09 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3g88 n LEU 25 CO 0.32 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3g88 n GLY 26 N 1.26 0.69 3.45 -0.72 0.00 -0.18 -4.89 105.19 104.81 3g88 n GLY 26 Ca 0.15 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 3g88 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g88 s LEU 27 N 0.00 2.61 -0.48 0.99 1.43 0.06 -4.98 118.68 118.31 3g88 s LEU 27 Ca 0.00 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 3g88 s LEU 27 Cb 0.00 -1.52 0.08 0.00 0.03 0.00 0.00 46.19 44.78 3g88 s LEU 27 CO 0.00 0.28 0.40 -0.62 0.23 0.00 0.00 176.35 176.64 3g88 s ASP 28 N -1.23 6.14 0.00 2.29 2.15 -1.26 -2.52 116.67 122.23 3g88 s ASP 28 Ca 0.14 -1.40 0.23 0.00 0.43 0.00 0.00 52.55 51.95 3g88 s ASP 28 Cb -0.10 -2.18 0.72 0.00 -0.30 0.00 0.00 42.92 41.05 3g88 s ASP 28 CO 0.04 -0.67 1.54 0.18 -0.17 0.00 0.00 175.17 176.09 3g88 n LEU 29 N 5.20 2.02 -0.23 -1.34 4.77 -1.26 -4.32 117.00 121.83 3g88 n LEU 29 Ca -0.13 -0.80 0.03 0.00 -0.03 0.00 0.00 56.01 55.09 3g88 n LEU 29 Cb 0.43 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.58 3g88 n LEU 29 CO 0.48 0.40 0.97 0.11 -1.33 0.00 0.00 177.39 178.02 3g88 h LYS 30 N 2.80 0.35 0.00 3.23 1.57 -1.95 0.72 116.57 123.30 3g88 h LYS 30 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3g88 h LYS 30 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3g88 h LYS 30 CO 0.00 0.23 0.00 -2.30 -0.57 0.00 0.00 179.45 176.81 3g88 n PRO 31 N -5.06 0.10 -0.01 3.15 -0.02 -1.26 -2.77 135.00 129.13 3g88 n PRO 31 Ca 0.12 0.45 0.02 0.00 -2.02 0.00 0.00 63.50 62.07 3g88 n PRO 31 Cb 0.37 -1.73 0.02 0.00 -0.02 0.00 0.00 33.50 32.14 3g88 n PRO 31 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g88 n HIS 32 N -1.92 0.03 -0.24 6.00 8.25 0.13 -4.73 115.22 122.74 3g88 n HIS 32 Ca 0.01 -0.12 -0.02 0.00 -0.26 0.00 0.00 57.72 57.33 3g88 n HIS 32 Cb 0.12 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.31 3g88 n HIS 32 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3g88 h LEU 33 N 0.66 0.61 -0.76 2.41 5.85 -1.05 -1.12 115.31 121.91 3g88 h LEU 33 Ca 0.00 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3g88 h LEU 33 Cb 0.25 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3g88 h LEU 33 CO 0.00 0.40 -0.48 -0.33 -0.34 0.00 0.00 178.44 177.69 3g88 h GLU 34 N 0.74 0.33 -0.41 1.25 4.39 -1.85 -0.10 114.58 118.94 3g88 h GLU 34 Ca 0.29 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 3g88 h GLU 34 Cb 0.13 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3g88 h GLU 34 CO -0.15 0.74 -0.07 0.00 -1.16 0.00 0.00 179.01 178.37 3g88 h ALA 35 N 1.23 0.56 -0.49 3.43 0.00 -1.74 -1.20 119.26 121.05 3g88 h ALA 35 Ca 0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3g88 h ALA 35 Cb 0.95 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3g88 h ALA 35 CO 0.08 0.41 -0.04 0.74 0.00 0.00 0.00 179.25 180.45 3g88 h PHE 36 N 0.59 0.91 -0.35 0.00 0.04 -1.05 -0.54 116.94 116.53 3g88 h PHE 36 Ca 0.11 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3g88 h PHE 36 Cb 0.59 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 3g88 h PHE 36 CO 0.05 0.85 0.23 1.03 -0.60 0.00 0.00 178.31 179.87 3g88 h SER 37 N 0.78 0.41 -0.34 2.17 0.87 -0.88 -0.15 113.55 116.41 3g88 h SER 37 Ca 0.14 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 3g88 h SER 37 Cb 0.52 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3g88 h SER 37 CO 0.03 0.31 -0.08 -0.09 -0.53 0.00 0.00 176.83 176.47 3g88 h ARG 38 N 0.48 0.75 -0.65 2.24 9.65 -1.02 -0.61 114.38 125.21 3g88 h ARG 38 Ca 0.13 -0.23 -0.08 0.00 -1.10 0.00 0.00 59.98 58.70 3g88 h ARG 38 Cb -0.04 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 3g88 h ARG 38 CO -0.03 0.81 0.11 1.25 2.80 0.00 0.00 179.97 184.92 3g88 h LEU 39 N 0.69 1.03 -0.37 3.80 5.85 -0.77 -0.05 115.31 125.49 3g88 h LEU 39 Ca 0.12 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3g88 h LEU 39 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3g88 h LEU 39 CO 0.03 1.03 0.21 0.22 -0.34 0.00 0.00 178.44 179.59 3g88 h TYR 40 N 1.00 0.49 -0.99 1.25 3.20 -0.67 -0.73 116.97 120.51 3g88 h TYR 40 Ca 0.20 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.11 3g88 h TYR 40 Cb 0.43 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 3g88 h TYR 40 CO 0.03 0.37 0.65 0.00 -1.64 0.00 0.00 178.16 177.57 3g88 h ALA 41 N 1.08 1.34 -0.67 1.82 0.00 -0.66 -1.35 119.26 120.82 3g88 h ALA 41 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3g88 h ALA 41 Cb 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3g88 h ALA 41 CO -0.02 0.50 0.22 -0.07 0.00 0.00 0.00 179.25 179.87 3g88 h LEU 42 N 1.22 0.96 -0.82 0.00 3.38 -0.64 0.19 115.31 119.59 3g88 h LEU 42 Ca 0.41 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3g88 h LEU 42 Cb 0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3g88 h LEU 42 CO -0.14 0.91 0.38 -0.07 0.09 0.00 0.00 178.44 179.60 3g88 h LEU 43 N 0.96 1.10 -0.19 1.67 3.38 -0.63 -0.82 115.31 120.78 3g88 h LEU 43 Ca 0.22 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3g88 h LEU 43 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3g88 h LEU 43 CO -0.01 0.94 -0.04 1.56 0.09 0.00 0.00 178.44 180.98 3g88 h GLN 44 N 1.18 0.37 -0.84 1.13 1.08 -0.92 -2.76 115.11 114.34 3g88 h GLN 44 Ca 0.28 -0.14 0.16 0.00 -1.45 0.00 0.00 58.65 57.51 3g88 h GLN 44 Cb 0.15 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.49 3g88 h GLN 44 CO -0.03 0.61 0.55 1.49 -0.95 0.00 0.00 178.83 180.51 3g88 h GLU 45 N 0.09 0.49 -0.11 1.46 4.81 -0.30 -3.51 114.58 117.51 3g88 h GLU 45 Ca 0.05 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.04 3g88 h GLU 45 Cb 0.47 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3g88 h GLU 45 CO 0.02 0.33 -0.76 0.00 -0.73 0.00 0.00 179.01 177.86 3g88 h ALA 46 N 1.62 0.44 0.00 2.92 0.00 -0.85 -3.51 119.26 119.88 3g88 h ALA 46 Ca 0.43 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3g88 h ALA 46 Cb 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3g88 h ALA 46 CO -0.17 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.22 3g88 n GLY 57 N 0.64 0.00 0.16 0.00 0.00 -1.26 -4.96 105.19 99.77 3g88 n GLY 57 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 3g88 n GLY 57 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g88 h GLU 58 N 0.00 0.00 -0.36 1.61 4.81 -2.06 -2.76 114.58 115.82 3g88 h GLU 58 Ca 0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3g88 h GLU 58 Cb 0.00 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3g88 h GLU 58 CO 0.00 0.00 0.22 1.49 -0.73 0.00 0.00 179.01 179.99 3g88 h GLU 59 N 0.00 0.43 -0.58 1.92 4.81 -2.02 -2.38 114.58 116.76 3g88 h GLU 59 Ca 0.17 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3g88 h GLU 59 Cb 0.27 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3g88 h GLU 59 CO -0.37 0.28 0.20 1.49 -0.73 0.00 0.00 179.01 179.88 3g88 h GLU 60 N 0.44 0.85 -0.20 1.92 4.81 -1.97 -0.86 114.58 119.57 3g88 h GLU 60 Ca 0.14 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3g88 h GLU 60 Cb -0.01 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3g88 h GLU 60 CO -0.06 0.71 0.01 0.28 -0.73 0.00 0.00 179.01 179.22 3g88 h VAL 61 N 0.83 0.87 -0.44 0.32 2.07 -1.15 -1.00 116.25 117.74 3g88 h VAL 61 Ca 0.19 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3g88 h VAL 61 Cb 0.20 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3g88 h VAL 61 CO -0.01 0.01 0.21 0.58 0.02 0.00 0.00 177.57 178.38 3g88 h VAL 62 N 0.08 1.18 -0.99 2.57 2.07 -0.94 -1.91 116.25 118.31 3g88 h VAL 62 Ca 0.09 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3g88 h VAL 62 Cb 0.11 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 3g88 h VAL 62 CO -0.15 0.20 0.65 0.58 0.02 0.00 0.00 177.57 178.87 3g88 h VAL 63 N 0.57 1.15 -0.91 2.57 2.07 -0.99 -0.47 116.25 120.24 3g88 h VAL 63 Ca 0.15 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3g88 h VAL 63 Cb 0.13 -0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.67 3g88 h VAL 63 CO -0.02 0.22 0.54 0.11 0.02 0.00 0.00 177.57 178.45 3g88 h LYS 64 N 1.23 1.24 -0.60 1.57 1.79 -0.88 -1.04 116.57 119.88 3g88 h LYS 64 Ca 0.40 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.68 3g88 h LYS 64 Cb 0.05 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 3g88 h LYS 64 CO -0.13 0.87 0.07 0.45 -1.08 0.00 0.00 179.45 179.63 3g88 h HIS 65 N 1.26 1.04 -0.09 -1.35 3.86 -0.41 0.18 115.15 119.64 3g88 h HIS 65 Ca 0.33 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3g88 h HIS 65 Cb -0.05 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 3g88 h HIS 65 CO 0.01 0.89 0.03 0.74 0.86 0.00 0.00 177.93 180.46 3g88 h PHE 66 N 0.92 0.05 -0.33 2.45 0.04 -0.73 -1.77 116.94 117.57 3g88 h PHE 66 Ca 0.18 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.81 3g88 h PHE 66 Cb 0.43 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 3g88 h PHE 66 CO 0.03 0.03 -0.36 -0.07 -0.60 0.00 0.00 178.31 177.34 3g88 h LEU 67 N 0.07 0.88 -0.49 1.54 3.38 -0.95 -1.90 115.31 117.85 3g88 h LEU 67 Ca 0.04 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.57 3g88 h LEU 67 Cb 0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3g88 h LEU 67 CO -0.04 1.18 0.25 -0.78 0.09 0.00 0.00 178.44 179.15 3g88 h ASP 68 N 0.60 0.37 -0.92 -0.43 3.58 -0.65 -1.86 116.42 117.11 3g88 h ASP 68 Ca 0.05 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.58 3g88 h ASP 68 Cb 0.94 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.89 3g88 h ASP 68 CO 0.09 0.26 0.58 0.28 -2.88 0.00 0.00 179.24 177.57 3g88 h SER 69 N 0.49 0.94 0.73 2.28 0.02 -1.11 -2.03 113.55 114.87 3g88 h SER 69 Ca 0.21 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3g88 h SER 69 Cb 0.11 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3g88 h SER 69 CO -0.14 0.61 0.00 0.18 -1.14 0.00 0.00 176.83 176.34 3g88 n LEU 70 N -4.56 0.29 0.28 5.07 4.77 -0.73 -2.62 117.00 119.50 3g88 n LEU 70 Ca 0.13 0.56 0.19 0.00 -0.03 0.00 0.00 56.01 56.86 3g88 n LEU 70 Cb 0.16 -0.51 1.00 0.00 -2.33 0.00 0.00 43.42 41.74 3g88 n LEU 70 CO 0.32 -0.31 1.07 0.71 -1.33 0.00 0.00 177.39 177.86 3g88 h THR 71 N 0.00 0.00 -0.67 -5.08 1.35 -0.80 -1.55 112.91 106.15 3g88 h THR 71 Ca 0.00 -0.05 0.15 0.00 -0.55 0.00 0.00 66.41 65.95 3g88 h THR 71 Cb 0.36 0.92 -0.04 0.00 -1.73 0.00 0.00 68.15 67.66 3g88 h THR 71 CO 0.00 0.00 0.46 -0.07 -0.25 0.00 0.00 175.52 175.66 3g88 h LEU 72 N 0.00 0.27 0.00 3.87 3.38 -1.69 -0.76 115.31 120.38 3g88 h LEU 72 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3g88 h LEU 72 Cb 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3g88 h LEU 72 CO 0.00 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.85 3g88 n LEU 73 N -4.44 0.00 0.00 1.67 4.77 -0.58 -1.79 117.00 116.62 3g88 n LEU 73 Ca 0.13 0.20 0.14 0.00 -0.03 0.00 0.00 56.01 56.44 3g88 n LEU 73 Cb 0.54 -0.20 0.72 0.00 -2.33 0.00 0.00 43.42 42.16 3g88 n LEU 73 CO 0.34 -0.10 0.99 0.54 -1.33 0.00 0.00 177.39 177.82 3g88 n ARG 74 N -1.20 0.45 -4.59 3.23 5.12 -0.29 -4.60 116.66 114.78 3g88 n ARG 74 Ca 0.08 0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.69 3g88 n ARG 74 Cb 0.09 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 29.77 3g88 n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3g88 s LEU 75 N -2.52 3.01 -1.08 0.55 1.43 -0.74 -5.03 118.68 114.31 3g88 s LEU 75 Ca 0.28 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 3g88 s LEU 75 Cb 0.19 -1.70 -0.15 0.00 0.03 0.00 0.00 46.19 44.57 3g88 s LEU 75 CO 0.42 0.19 3.14 -0.81 0.23 0.00 0.00 176.35 179.52 3g88 n PRO 76 N 3.35 3.09 -0.13 1.29 -0.04 -1.26 -4.40 135.00 136.90 3g88 n PRO 76 Ca -0.18 -1.78 0.07 0.00 -0.04 0.00 0.00 63.50 61.58 3g88 n PRO 76 Cb 0.53 -2.52 0.14 0.00 -0.04 0.00 0.00 33.50 31.60 3g88 n PRO 76 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g88 n LEU 77 N 3.25 2.78 -2.14 1.53 4.77 -1.26 -4.74 117.00 121.18 3g88 n LEU 77 Ca 0.66 -1.54 -0.22 0.00 -0.03 0.00 0.00 56.01 54.88 3g88 n LEU 77 Cb 0.45 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3g88 n LEU 77 CO 0.61 0.62 0.16 0.79 -1.33 0.00 0.00 177.39 178.25 3g88 n TRP 78 N 0.85 2.66 -3.34 -1.77 7.02 -1.26 -5.03 117.44 116.56 3g88 n TRP 78 Ca 0.12 -2.30 -0.38 0.00 -1.02 0.00 0.00 57.50 53.92 3g88 n TRP 78 Cb 0.43 -0.31 -0.06 0.00 -2.42 0.00 0.00 31.31 28.96 3g88 n TRP 78 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3g88 s GLN 79 N -3.61 4.33 1.32 -0.99 -1.52 -1.26 -4.94 119.66 112.99 3g88 s GLN 79 Ca 0.48 0.40 0.00 0.00 -1.95 0.00 0.00 55.36 54.30 3g88 s GLN 79 Cb 0.40 -3.43 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 3g88 s GLN 79 CO 0.01 0.18 0.00 0.41 -0.25 0.00 0.00 175.29 175.64 3g88 n GLY 80 N 3.26 -1.76 2.36 3.09 0.00 -1.26 -4.39 105.19 106.49 3g88 n GLY 80 Ca -0.08 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 3g88 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3g88 n PRO 81 N -0.40 3.32 -2.06 1.61 -0.04 -1.26 -4.11 135.00 132.08 3g88 n PRO 81 Ca 0.00 -2.43 -0.40 0.00 -0.04 0.00 0.00 63.50 60.64 3g88 n PRO 81 Cb 0.00 -2.41 -0.01 0.00 -0.04 0.00 0.00 33.50 31.04 3g88 n PRO 81 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3g88 s LEU 82 N -1.26 4.23 -0.19 1.53 1.43 -1.26 -4.53 118.68 118.63 3g88 s LEU 82 Ca 0.61 2.66 -0.24 0.00 -1.03 0.00 0.00 54.13 56.13 3g88 s LEU 82 Cb 0.26 -3.88 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 3g88 s LEU 82 CO -0.10 -0.82 0.79 -0.60 0.23 0.00 0.00 176.35 175.84 3g88 s ARG 83 N -2.20 4.26 -0.07 1.70 3.52 -1.26 -0.55 118.95 124.36 3g88 s ARG 83 Ca 0.56 0.92 0.04 0.00 -0.13 0.00 0.00 55.73 57.12 3g88 s ARG 83 Cb -0.38 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 3g88 s ARG 83 CO 0.49 -0.34 -0.17 0.08 -0.81 0.00 0.00 175.30 174.55 3g88 s VAL 84 N 2.20 1.51 -0.20 7.11 1.01 0.34 -1.35 120.40 131.01 3g88 s VAL 84 Ca 0.36 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 3g88 s VAL 84 Cb -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3g88 s VAL 84 CO 0.11 0.44 0.07 -0.22 0.00 0.00 0.00 175.10 175.50 3g88 s LEU 85 N 0.32 3.75 -0.41 3.92 2.96 -0.41 -0.85 118.68 127.96 3g88 s LEU 85 Ca -0.11 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 3g88 s LEU 85 Cb -0.15 -1.97 0.06 0.00 0.50 0.00 0.00 46.19 44.64 3g88 s LEU 85 CO 0.04 0.11 0.25 -0.62 -1.32 0.00 0.00 176.35 174.82 3g88 s ASP 86 N 0.73 5.72 -0.22 3.68 2.15 -0.20 0.08 116.67 128.63 3g88 s ASP 86 Ca 0.04 -1.31 -0.17 0.00 0.43 0.00 0.00 52.55 51.54 3g88 s ASP 86 Cb -0.13 -2.02 -0.03 0.00 -0.30 0.00 0.00 42.92 40.43 3g88 s ASP 86 CO 0.02 -0.50 0.46 -0.22 -0.17 0.00 0.00 175.17 174.77 3g88 s LEU 87 N 1.49 4.13 -0.48 -1.34 2.96 -0.18 -1.14 118.68 124.11 3g88 s LEU 87 Ca 0.03 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.48 3g88 s LEU 87 Cb -0.22 -2.61 0.00 0.00 0.50 0.00 0.00 46.19 43.86 3g88 s LEU 87 CO 0.04 -0.16 0.42 0.61 -1.32 0.00 0.00 176.35 175.94 3g88 n GLY 88 N 4.04 0.35 0.33 7.98 0.00 0.53 -4.52 105.19 113.91 3g88 n GLY 88 Ca -0.06 -0.32 0.21 0.00 0.00 0.00 0.00 46.02 45.85 3g88 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g88 h THR 89 N -0.92 0.09 0.00 2.61 1.03 -1.32 -3.45 112.91 110.95 3g88 h THR 89 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 3g88 h THR 89 Cb 1.13 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 3g88 h THR 89 CO 0.20 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.32 3g88 n GLY 90 N -1.13 3.93 0.16 2.99 0.00 -1.26 -0.73 105.19 109.16 3g88 n GLY 90 Ca -0.03 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3g88 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g88 n ALA 91 N 12.28 2.53 0.00 4.61 0.00 -1.26 -4.49 120.51 134.17 3g88 n ALA 91 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3g88 n ALA 91 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3g88 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g88 n GLY 92 N 0.75 1.36 3.14 0.00 0.00 0.09 -4.68 105.19 105.85 3g88 n GLY 92 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3g88 n GLY 92 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g88 s PHE 93 N -2.00 1.95 -2.18 1.61 0.08 -0.26 -1.09 117.98 116.08 3g88 s PHE 93 Ca 0.00 -0.70 0.18 0.00 0.12 0.00 0.00 56.93 56.53 3g88 s PHE 93 Cb 0.00 -1.33 0.57 0.00 -0.57 0.00 0.00 43.02 41.69 3g88 s PHE 93 CO 0.00 -0.28 1.44 -0.35 -0.10 0.00 0.00 175.22 175.92 3g88 n PRO 94 N 3.46 1.84 -0.19 0.24 -0.04 -1.26 -4.58 135.00 134.48 3g88 n PRO 94 Ca -0.20 -1.29 -0.07 0.00 -0.04 0.00 0.00 63.50 61.90 3g88 n PRO 94 Cb 0.52 -1.37 0.02 0.00 -0.04 0.00 0.00 33.50 32.64 3g88 n PRO 94 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3g88 h GLY 95 N 5.04 0.81 0.78 0.55 0.00 -1.90 -2.62 103.07 105.73 3g88 h GLY 95 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 3g88 h GLY 95 CO 0.00 0.37 -0.19 1.41 0.00 0.00 0.00 176.54 178.13 3g88 h LEU 96 N 0.72 0.44 -0.71 3.11 3.38 -1.49 -0.52 115.31 120.25 3g88 h LEU 96 Ca 0.19 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3g88 h LEU 96 Cb 0.09 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3g88 h LEU 96 CO -0.03 0.85 0.45 -0.65 0.09 0.00 0.00 178.44 179.15 3g88 h PRO 97 N 0.05 0.85 -0.44 1.13 0.11 -1.73 -0.82 132.00 131.14 3g88 h PRO 97 Ca 0.02 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.13 3g88 h PRO 97 Cb 0.74 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.61 3g88 h PRO 97 CO 0.05 0.56 0.17 1.25 -0.21 0.00 0.00 178.00 179.82 3g88 h LEU 98 N 0.87 0.20 -0.83 2.35 5.85 -1.35 -2.57 115.31 119.82 3g88 h LEU 98 Ca 0.28 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 3g88 h LEU 98 Cb 0.01 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3g88 h LEU 98 CO -0.10 0.15 -0.11 0.50 -0.34 0.00 0.00 178.44 178.54 3g88 h LYS 99 N 0.35 0.76 -0.52 1.25 1.63 -0.74 0.33 116.57 119.64 3g88 h LYS 99 Ca 0.20 -0.25 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 3g88 h LYS 99 Cb 0.18 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 3g88 h LYS 99 CO -0.20 0.84 0.31 0.82 -3.45 0.00 0.00 179.45 177.77 3g88 h ILE 100 N 0.69 1.06 0.00 2.00 2.04 -0.86 -2.79 117.51 119.66 3g88 h ILE 100 Ca 0.12 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3g88 h ILE 100 Cb 0.58 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3g88 h ILE 100 CO 0.04 0.11 -0.86 0.58 0.00 0.00 0.00 178.15 178.02 3g88 h VAL 101 N 0.62 0.00 -2.15 1.67 2.07 -1.28 -3.38 116.25 113.80 3g88 h VAL 101 Ca 0.21 -0.76 -0.58 0.00 0.82 0.00 0.00 66.70 66.38 3g88 h VAL 101 Cb 0.01 1.27 -0.41 0.00 -1.52 0.00 0.00 31.29 30.65 3g88 h VAL 101 CO -0.09 0.00 -0.81 0.54 0.02 0.00 0.00 177.57 177.23 3g88 n ARG 102 N -2.40 1.71 0.13 1.57 5.12 0.09 -4.99 116.66 117.89 3g88 n ARG 102 Ca 0.01 -4.04 0.10 0.00 -1.93 0.00 0.00 57.85 52.00 3g88 n ARG 102 Cb 0.50 -1.82 0.49 0.00 -1.16 0.00 0.00 32.46 30.47 3g88 n ARG 102 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3g88 n PRO 103 N 1.16 0.14 0.23 5.56 -0.04 -1.06 -1.97 135.00 139.03 3g88 n PRO 103 Ca 0.26 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.36 3g88 n PRO 103 Cb 0.46 -1.87 0.39 0.00 -0.04 0.00 0.00 33.50 32.44 3g88 n PRO 103 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3g88 h GLU 104 N 0.00 0.00 -6.87 0.54 5.08 -1.86 -3.45 114.58 108.01 3g88 h GLU 104 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3g88 h GLU 104 Cb 0.15 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.49 3g88 h GLU 104 CO 0.00 0.13 0.76 -0.51 -1.00 0.00 0.00 179.01 178.39 3g88 s LEU 105 N -6.39 4.36 -0.57 1.33 1.43 -0.83 -4.17 118.68 113.83 3g88 s LEU 105 Ca 0.03 2.88 -0.18 0.00 -1.03 0.00 0.00 54.13 55.83 3g88 s LEU 105 Cb 0.08 -3.65 0.11 0.00 0.03 0.00 0.00 46.19 42.76 3g88 s LEU 105 CO 0.63 -0.77 0.62 -0.70 0.23 0.00 0.00 176.35 176.36 3g88 s GLU 106 N -1.43 3.02 -0.11 1.70 2.56 0.29 -4.80 118.70 119.93 3g88 s GLU 106 Ca 0.55 -1.45 -0.14 0.00 0.00 0.00 0.00 54.97 53.93 3g88 s GLU 106 Cb -0.44 -4.27 -0.05 0.00 2.00 0.00 0.00 34.13 31.37 3g88 s GLU 106 CO 0.54 -1.44 0.32 -0.51 -0.56 0.00 0.00 175.26 173.62 3g88 s LEU 107 N 2.26 4.32 -0.18 2.70 2.01 -0.54 -0.50 118.68 128.74 3g88 s LEU 107 Ca 0.08 0.64 0.01 0.00 0.01 0.00 0.00 54.13 54.87 3g88 s LEU 107 Cb -0.26 -2.42 0.02 0.00 0.01 0.00 0.00 46.19 43.53 3g88 s LEU 107 CO 0.05 0.17 -0.19 -0.69 1.01 0.00 0.00 176.35 176.71 3g88 s VAL 108 N -0.03 2.18 -0.28 -1.59 1.01 -0.03 -0.99 120.40 120.66 3g88 s VAL 108 Ca 0.19 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3g88 s VAL 108 Cb -0.14 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.34 3g88 s VAL 108 CO 0.07 0.53 0.04 -0.76 0.00 0.00 0.00 175.10 174.98 3g88 s LEU 109 N 1.24 3.70 -0.09 3.92 1.02 0.47 -1.03 118.68 127.90 3g88 s LEU 109 Ca 0.03 -0.78 -0.02 0.00 0.02 0.00 0.00 54.13 53.38 3g88 s LEU 109 Cb -0.13 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 3g88 s LEU 109 CO -0.11 -0.18 0.00 -0.69 0.02 0.00 0.00 176.35 175.40 3g88 s VAL 110 N 1.44 4.33 -0.06 -1.59 1.01 -0.29 -0.07 120.40 125.17 3g88 s VAL 110 Ca 0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 3g88 s VAL 110 Cb -0.17 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.41 3g88 s VAL 110 CO 0.01 0.60 0.37 -0.62 0.00 0.00 0.00 175.10 175.45 3g88 s ASP 111 N -0.82 -0.30 0.14 3.32 -1.08 -0.90 -0.35 116.67 116.69 3g88 s ASP 111 Ca 0.12 0.37 0.24 0.00 -0.52 0.00 0.00 52.55 52.77 3g88 s ASP 111 Cb -0.11 0.49 0.93 0.00 -1.46 0.00 0.00 42.92 42.77 3g88 s ASP 111 CO 0.02 -0.36 1.75 0.00 0.52 0.00 0.00 175.17 177.11 3g88 n ALA 112 N 1.78 2.05 -2.70 3.66 0.00 -1.10 -1.88 120.51 122.33 3g88 n ALA 112 Ca -0.19 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 52.84 3g88 n ALA 112 Cb 0.56 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 3g88 n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3g88 s THR 113 N -3.12 4.96 0.24 0.00 2.01 -1.26 -4.75 115.64 113.71 3g88 s THR 113 Ca 0.09 -0.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 3g88 s THR 113 Cb 0.13 -3.53 0.23 0.00 0.01 0.00 0.00 72.50 69.33 3g88 s THR 113 CO 0.48 0.03 1.91 -0.09 -0.69 0.00 0.00 174.62 176.26 3g88 h ARG 114 N 8.42 1.20 -0.16 4.92 2.43 -2.00 -2.35 114.38 126.84 3g88 h ARG 114 Ca -0.32 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 58.72 3g88 h ARG 114 Cb 1.15 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3g88 h ARG 114 CO 0.62 0.80 -0.17 1.57 -1.51 0.00 0.00 179.97 181.28 3g88 h LYS 115 N 1.24 0.27 -0.13 0.20 2.10 -1.97 0.23 116.57 118.50 3g88 h LYS 115 Ca 0.35 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.91 3g88 h LYS 115 Cb -0.11 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.18 3g88 h LYS 115 CO -0.09 0.44 0.01 0.87 -2.00 0.00 0.00 179.45 178.69 3g88 h LYS 116 N 0.25 0.22 -0.84 0.07 1.79 -1.73 -1.93 116.57 114.40 3g88 h LYS 116 Ca 0.05 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 3g88 h LYS 116 Cb 0.45 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 3g88 h LYS 116 CO 0.03 0.43 0.54 0.28 -1.08 0.00 0.00 179.45 179.65 3g88 h VAL 117 N -0.01 1.16 -0.72 0.50 2.07 -1.05 -1.25 116.25 116.95 3g88 h VAL 117 Ca 0.04 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3g88 h VAL 117 Cb 0.32 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3g88 h VAL 117 CO 0.00 0.20 0.33 0.00 0.02 0.00 0.00 177.57 178.12 3g88 h ALA 118 N 1.34 0.93 -0.23 1.67 0.00 -0.89 -0.36 119.26 121.72 3g88 h ALA 118 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3g88 h ALA 118 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3g88 h ALA 118 CO -0.10 0.51 0.15 0.35 0.00 0.00 0.00 179.25 180.16 3g88 h PHE 119 N 1.01 0.28 -0.75 0.00 3.57 -0.75 -1.53 116.94 118.78 3g88 h PHE 119 Ca 0.24 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3g88 h PHE 119 Cb 0.15 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3g88 h PHE 119 CO 0.01 0.17 0.33 0.28 -2.23 0.00 0.00 178.31 176.87 3g88 h VAL 120 N 0.30 1.24 -0.64 1.41 2.07 -0.87 -0.44 116.25 119.33 3g88 h VAL 120 Ca 0.08 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 3g88 h VAL 120 Cb -0.03 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3g88 h VAL 120 CO -0.02 0.30 0.22 -0.08 0.02 0.00 0.00 177.57 178.00 3g88 h GLU 121 N 1.07 0.97 -0.62 1.57 4.81 -0.86 -1.01 114.58 120.51 3g88 h GLU 121 Ca 0.25 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3g88 h GLU 121 Cb 0.15 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3g88 h GLU 121 CO -0.03 0.84 0.05 -0.09 -0.73 0.00 0.00 179.01 179.06 3g88 h ARG 122 N 0.91 1.05 -0.70 1.92 2.43 -0.82 -1.89 114.38 117.27 3g88 h ARG 122 Ca 0.21 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3g88 h ARG 122 Cb 0.26 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3g88 h ARG 122 CO -0.01 0.99 0.32 0.00 -1.51 0.00 0.00 179.97 179.76 3g88 h ALA 123 N 1.07 0.90 -0.17 2.80 0.00 -0.75 0.19 119.26 123.30 3g88 h ALA 123 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3g88 h ALA 123 Cb 0.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3g88 h ALA 123 CO 0.02 0.49 0.11 0.82 0.00 0.00 0.00 179.25 180.69 3g88 h ILE 124 N 0.98 1.06 -0.20 0.00 2.04 -1.03 0.63 117.51 121.00 3g88 h ILE 124 Ca 0.24 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 3g88 h ILE 124 Cb 0.15 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3g88 h ILE 124 CO -0.03 0.06 0.11 -0.08 0.00 0.00 0.00 178.15 178.22 3g88 h GLU 125 N 0.22 0.27 -0.34 2.37 4.81 -1.02 0.13 114.58 121.02 3g88 h GLU 125 Ca 0.06 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3g88 h GLU 125 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3g88 h GLU 125 CO -0.01 0.25 -0.14 0.28 -0.73 0.00 0.00 179.01 178.66 3g88 h VAL 126 N 0.23 1.29 0.00 0.32 2.07 -0.55 -2.78 116.25 116.82 3g88 h VAL 126 Ca 0.07 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3g88 h VAL 126 Cb 0.05 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3g88 h VAL 126 CO -0.01 0.40 0.00 0.18 0.02 0.00 0.00 177.57 178.16 3g88 n LEU 127 N -4.36 0.35 -1.82 2.57 4.77 0.21 -4.93 117.00 113.78 3g88 n LEU 127 Ca -0.02 0.55 -0.14 0.00 -0.03 0.00 0.00 56.01 56.37 3g88 n LEU 127 Cb 0.38 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3g88 n LEU 127 CO 0.42 -0.20 -0.07 0.61 -1.33 0.00 0.00 177.39 176.82 3g88 n GLY 128 N 0.88 -0.14 3.75 -0.72 0.00 -0.06 -4.99 105.19 103.92 3g88 n GLY 128 Ca 0.05 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3g88 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g88 s LEU 129 N -4.24 4.48 -0.05 0.99 1.43 -0.66 -5.03 118.68 115.60 3g88 s LEU 129 Ca 0.11 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 3g88 s LEU 129 Cb -0.05 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 3g88 s LEU 129 CO 0.14 -0.30 -0.02 -0.54 0.23 0.00 0.00 176.35 175.86 3g88 s LYS 130 N -0.73 2.83 -0.20 1.70 3.01 -1.26 -4.61 119.74 120.49 3g88 s LYS 130 Ca 0.50 -0.52 -0.00 0.00 -1.01 0.00 0.00 55.97 54.93 3g88 s LYS 130 Cb -0.33 -2.68 0.00 0.00 -1.01 0.00 0.00 37.83 33.81 3g88 s LYS 130 CO 0.39 0.67 0.05 0.41 0.51 0.00 0.00 175.35 177.38 3g88 n GLY 131 N 1.94 0.46 2.84 -3.33 0.00 -1.26 -4.98 105.19 100.86 3g88 n GLY 131 Ca -0.17 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 3g88 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g88 s ALA 132 N -2.47 0.11 -0.05 4.61 0.00 -1.26 -1.47 121.76 121.23 3g88 s ALA 132 Ca 0.03 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 3g88 s ALA 132 Cb -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3g88 s ALA 132 CO 0.03 -0.04 0.16 -0.98 0.00 0.00 0.00 175.76 174.94 3g88 s ARG 133 N 0.50 0.26 -0.03 0.00 1.70 -0.16 -4.99 118.95 116.23 3g88 s ARG 133 Ca -0.04 0.10 -0.09 0.00 -0.47 0.00 0.00 55.73 55.22 3g88 s ARG 133 Cb -0.06 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.39 3g88 s ARG 133 CO -0.01 -0.04 0.27 0.00 -1.08 0.00 0.00 175.30 174.44 3g88 s ALA 134 N -0.23 3.81 -0.05 7.88 0.00 -1.26 -0.40 121.76 131.51 3g88 s ALA 134 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 3g88 s ALA 134 Cb -0.03 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 20.99 3g88 s ALA 134 CO 0.01 0.59 0.01 -1.17 0.00 0.00 0.00 175.76 175.19 3g88 s LEU 135 N -1.34 0.76 -0.22 0.00 2.96 0.90 -4.90 118.68 116.83 3g88 s LEU 135 Ca 0.23 -0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.85 3g88 s LEU 135 Cb -0.14 -0.29 -0.00 0.00 0.50 0.00 0.00 46.19 46.26 3g88 s LEU 135 CO 0.12 -0.16 0.90 0.86 -1.32 0.00 0.00 176.35 176.75 3g88 s TRP 136 N 1.58 3.34 -0.13 5.38 -0.00 -1.26 -2.11 118.94 125.74 3g88 s TRP 136 Ca -0.02 1.28 -0.34 0.00 -0.00 0.00 0.00 56.10 57.02 3g88 s TRP 136 Cb -0.13 -3.12 0.15 0.00 -0.00 0.00 0.00 33.47 30.37 3g88 s TRP 136 CO -0.03 -0.40 1.42 0.20 -0.00 0.00 0.00 176.95 178.14 3g88 s GLY 137 N 1.26 -0.43 -0.13 5.86 0.00 -0.79 -4.95 107.32 108.14 3g88 s GLY 137 Ca 0.39 1.16 -0.06 0.00 0.00 0.00 0.00 44.72 46.21 3g88 s GLY 137 CO 0.08 0.27 0.07 0.50 0.00 0.00 0.00 173.10 174.03 3g88 s ARG 138 N -2.06 3.51 0.24 2.90 1.81 -1.26 -2.69 118.95 121.40 3g88 s ARG 138 Ca 0.14 -0.29 -0.05 0.00 -1.72 0.00 0.00 55.73 53.82 3g88 s ARG 138 Cb 0.06 -3.09 0.42 0.00 -0.45 0.00 0.00 34.95 31.89 3g88 s ARG 138 CO -0.06 0.57 1.76 0.00 -0.68 0.00 0.00 175.30 176.90 3g88 h ALA 139 N 5.66 1.07 0.00 2.13 0.00 -1.97 -0.54 119.26 125.60 3g88 h ALA 139 Ca -0.47 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3g88 h ALA 139 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3g88 h ALA 139 CO 0.62 -0.11 -0.11 0.93 0.00 0.00 0.00 179.25 180.58 3g88 h GLU 140 N 0.56 0.00 0.01 0.00 3.07 -1.91 -1.29 114.58 115.03 3g88 h GLU 140 Ca 0.39 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.99 3g88 h GLU 140 Cb 0.51 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 3g88 h GLU 140 CO -0.33 0.11 -1.45 0.28 -1.40 0.00 0.00 179.01 176.22 3g88 n VAL 141 N -3.79 1.56 -0.17 3.13 0.31 -0.65 -4.33 118.33 114.38 3g88 n VAL 141 Ca -0.02 -0.12 0.01 0.00 -0.01 0.00 0.00 64.34 64.20 3g88 n VAL 141 Cb 0.22 -1.99 0.28 0.00 -0.91 0.00 0.00 33.84 31.43 3g88 n VAL 141 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3g88 h LEU 142 N -0.88 0.78 0.00 7.52 3.38 -1.00 -2.08 115.31 123.03 3g88 h LEU 142 Ca -0.39 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3g88 h LEU 142 Cb 1.41 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3g88 h LEU 142 CO -0.20 0.57 0.00 0.00 0.09 0.00 0.00 178.44 178.91 3g88 n ALA 143 N -2.43 2.39 0.51 1.53 0.00 -0.50 -1.57 120.51 120.43 3g88 n ALA 143 Ca 0.07 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.46 3g88 n ALA 143 Cb 0.04 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.25 3g88 n ALA 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g88 n ARG 144 N -0.92 1.50 -3.26 0.00 1.74 -0.78 -4.44 116.66 110.50 3g88 n ARG 144 Ca 0.15 -1.60 -0.39 0.00 -0.77 0.00 0.00 57.85 55.25 3g88 n ARG 144 Cb 0.07 -1.32 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 3g88 n ARG 144 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3g88 s GLU 145 N -1.28 4.22 0.51 5.56 2.02 -0.61 -4.96 118.70 124.16 3g88 s GLU 145 Ca 0.21 0.73 0.19 0.00 0.02 0.00 0.00 54.97 56.12 3g88 s GLU 145 Cb 0.14 -3.27 1.26 0.00 0.10 0.00 0.00 34.13 32.37 3g88 s GLU 145 CO 0.20 0.57 2.06 0.00 0.02 0.00 0.00 175.26 178.12 3g88 h ALA 146 N 4.83 2.18 0.00 5.21 0.00 -1.92 -0.12 119.26 129.44 3g88 h ALA 146 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3g88 h ALA 146 Cb 1.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3g88 h ALA 146 CO 0.65 -0.26 -0.08 0.78 0.00 0.00 0.00 179.25 180.34 3g88 h GLY 147 N 0.08 0.00 0.00 0.00 0.00 -1.93 -3.35 103.07 97.87 3g88 h GLY 147 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3g88 h GLY 147 CO -0.01 0.00 -0.83 1.42 0.00 0.00 0.00 176.54 177.11 3g88 n HIS 148 N -3.43 0.00 -1.88 5.60 8.25 -0.66 -4.86 115.22 118.24 3g88 n HIS 148 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3g88 n HIS 148 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 3g88 n HIS 148 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3g88 s ARG 149 N -1.83 4.18 -1.59 -0.41 3.52 -0.15 -2.35 118.95 120.32 3g88 s ARG 149 Ca 0.00 2.39 -0.15 0.00 -0.13 0.00 0.00 55.73 57.84 3g88 s ARG 149 Cb 0.00 -3.65 0.11 0.00 -1.56 0.00 0.00 34.95 29.85 3g88 s ARG 149 CO 0.00 -0.77 0.90 0.39 -0.81 0.00 0.00 175.30 175.01 3g88 n GLU 150 N 5.79 -4.67 0.00 5.12 1.02 0.19 -4.84 120.64 123.25 3g88 n GLU 150 Ca 0.16 0.52 0.03 0.00 -0.02 0.00 0.00 57.16 57.85 3g88 n GLU 150 Cb 0.40 -5.33 0.02 0.00 -0.02 0.00 0.00 31.44 26.51 3g88 n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g88 n ALA 151 N -4.57 2.50 -2.48 0.62 0.00 -0.63 -3.62 120.51 112.33 3g88 n ALA 151 Ca 0.04 -0.53 -0.31 0.00 0.00 0.00 0.00 53.44 52.64 3g88 n ALA 151 Cb 0.52 -0.22 -0.12 0.00 0.00 0.00 0.00 19.45 19.62 3g88 n ALA 151 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3g88 s TYR 152 N -0.61 2.62 0.03 0.00 2.02 -0.46 -4.86 117.35 116.09 3g88 s TYR 152 Ca 0.07 -0.22 0.10 0.00 -0.37 0.00 0.00 57.07 56.65 3g88 s TYR 152 Cb 0.05 -1.49 -0.19 0.00 -0.40 0.00 0.00 41.96 39.93 3g88 s TYR 152 CO 0.09 0.27 1.10 0.00 -1.57 0.00 0.00 175.55 175.43 3g88 h ALA 153 N 4.57 0.52 -3.01 3.71 0.00 -1.52 -0.42 119.26 123.11 3g88 h ALA 153 Ca -0.48 -1.02 -0.23 0.00 0.00 0.00 0.00 54.91 53.19 3g88 h ALA 153 Cb 1.16 0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.80 3g88 h ALA 153 CO 0.49 1.27 -0.72 1.03 0.00 0.00 0.00 179.25 181.32 3g88 s ARG 154 N -2.71 0.46 -0.02 0.00 1.81 -0.92 -1.44 118.95 116.14 3g88 s ARG 154 Ca -0.01 -0.75 -0.05 0.00 -1.72 0.00 0.00 55.73 53.21 3g88 s ARG 154 Cb 0.09 -0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.48 3g88 s ARG 154 CO 0.81 0.00 0.11 0.00 -0.68 0.00 0.00 175.30 175.55 3g88 s ALA 155 N -1.62 -0.27 0.07 2.13 0.00 -0.93 -1.29 121.76 119.86 3g88 s ALA 155 Ca -0.11 0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.93 3g88 s ALA 155 Cb -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3g88 s ALA 155 CO -0.01 -0.13 -0.08 0.14 0.00 0.00 0.00 175.76 175.68 3g88 s VAL 156 N -0.70 0.70 -0.19 0.00 -7.23 0.11 -0.44 120.40 112.65 3g88 s VAL 156 Ca -0.08 -1.51 -0.15 0.00 -1.81 0.00 0.00 61.98 58.43 3g88 s VAL 156 Cb -0.05 -1.17 0.05 0.00 0.56 0.00 0.00 36.38 35.78 3g88 s VAL 156 CO 0.01 -0.59 0.49 0.00 -0.31 0.00 0.00 175.10 174.70 3g88 s ALA 157 N -2.40 -1.24 -0.04 1.32 0.00 -0.97 -1.02 121.76 117.41 3g88 s ALA 157 Ca 0.01 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.54 3g88 s ALA 157 Cb -0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3g88 s ALA 157 CO -0.01 -0.26 -0.17 0.50 0.00 0.00 0.00 175.76 175.82 3g88 s ARG 158 N 0.70 1.75 -1.32 0.00 3.52 -1.26 -1.16 118.95 121.18 3g88 s ARG 158 Ca -0.04 -0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 54.97 3g88 s ARG 158 Cb -0.05 -1.52 -0.00 0.00 -1.56 0.00 0.00 34.95 31.82 3g88 s ARG 158 CO -0.05 0.23 0.66 0.00 -0.81 0.00 0.00 175.30 175.33 3g88 n ALA 159 N 3.18 -2.03 -0.06 6.12 0.00 -1.26 -4.93 120.51 121.53 3g88 n ALA 159 Ca -0.18 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 3g88 n ALA 159 Cb 0.53 -1.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 3g88 n ALA 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g88 n VAL 160 N -4.28 0.84 -3.51 0.00 0.31 -1.26 -5.12 118.33 105.31 3g88 n VAL 160 Ca -0.30 -0.11 -0.08 0.00 -0.01 0.00 0.00 64.34 63.84 3g88 n VAL 160 Cb 0.68 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.86 3g88 n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g88 s ALA 161 N -2.28 -1.85 0.78 3.52 0.00 -1.26 -5.05 121.76 115.62 3g88 s ALA 161 Ca -0.18 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.72 3g88 s ALA 161 Cb 0.06 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.56 3g88 s ALA 161 CO 0.23 -0.67 0.91 -2.30 0.00 0.00 0.00 175.76 173.92 3g88 n PRO 162 N -0.22 0.25 -0.35 0.00 -0.02 -1.26 -4.51 135.00 128.89 3g88 n PRO 162 Ca -0.08 0.15 0.07 0.00 -2.02 0.00 0.00 63.50 61.61 3g88 n PRO 162 Cb 0.61 -2.18 0.24 0.00 -0.02 0.00 0.00 33.50 32.15 3g88 n PRO 162 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3g88 h LEU 163 N -0.67 0.92 -0.89 2.45 3.38 -1.98 0.54 115.31 119.05 3g88 h LEU 163 Ca -0.46 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.55 3g88 h LEU 163 Cb 1.32 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3g88 h LEU 163 CO 0.44 0.52 0.58 0.00 0.09 0.00 0.00 178.44 180.07 3g88 h VAL 165 N 1.20 1.49 -0.23 0.00 2.07 -1.64 -3.33 116.25 115.81 3g88 h VAL 165 Ca 0.32 -2.07 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 3g88 h VAL 165 Cb -0.13 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3g88 h VAL 165 CO -0.07 0.58 0.01 0.25 0.02 0.00 0.00 177.57 178.37 3g88 h LEU 166 N -0.31 0.31 -0.94 2.57 5.85 -0.74 -1.84 115.31 120.21 3g88 h LEU 166 Ca -0.06 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 3g88 h LEU 166 Cb 1.21 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3g88 h LEU 166 CO 0.09 0.36 -0.31 0.77 -0.34 0.00 0.00 178.44 179.01 3g88 h SER 167 N 0.34 0.41 0.62 1.25 4.64 -1.17 0.10 113.55 119.74 3g88 h SER 167 Ca 0.08 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.14 3g88 h SER 167 Cb 0.21 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3g88 h SER 167 CO 0.00 0.70 -0.51 -0.08 -0.87 0.00 0.00 176.83 176.07 3g88 h GLU 168 N 0.35 0.00 0.03 4.77 4.81 -1.45 -1.48 114.58 121.60 3g88 h GLU 168 Ca 0.05 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 3g88 h GLU 168 Cb 0.72 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.11 3g88 h GLU 168 CO 0.05 0.51 -1.02 -0.07 -0.73 0.00 0.00 179.01 177.76 3g88 h LEU 169 N 0.00 0.58 0.04 1.64 3.38 -0.93 -3.40 115.31 116.62 3g88 h LEU 169 Ca -0.01 -0.49 -0.30 0.00 0.09 0.00 0.00 57.88 57.17 3g88 h LEU 169 Cb 0.96 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3g88 h LEU 169 CO 0.07 1.30 -1.67 0.18 0.09 0.00 0.00 178.44 178.41 3g88 n LEU 170 N -3.73 2.15 -0.27 1.67 4.77 0.29 -4.50 117.00 117.38 3g88 n LEU 170 Ca -0.08 0.33 0.07 0.00 -0.03 0.00 0.00 56.01 56.30 3g88 n LEU 170 Cb 0.88 -0.99 0.31 0.00 -2.33 0.00 0.00 43.42 41.28 3g88 n LEU 170 CO 0.53 0.51 1.23 -0.07 -1.33 0.00 0.00 177.39 178.25 3g88 h LEU 171 N -0.64 0.77 -0.46 2.23 3.38 -1.48 -1.61 115.31 117.50 3g88 h LEU 171 Ca -0.42 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3g88 h LEU 171 Cb 1.58 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3g88 h LEU 171 CO -0.14 0.46 0.00 -2.65 0.09 0.00 0.00 178.44 176.20 3g88 n PRO 172 N -4.52 0.09 0.11 1.13 -0.02 -1.26 -1.88 135.00 128.65 3g88 n PRO 172 Ca 0.14 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 3g88 n PRO 172 Cb 0.30 -1.70 0.31 0.00 -0.02 0.00 0.00 33.50 32.38 3g88 n PRO 172 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3g88 h PHE 173 N 0.00 0.00 -3.37 6.00 0.04 -1.55 0.56 116.94 118.63 3g88 h PHE 173 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3g88 h PHE 173 Cb 0.21 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.29 3g88 h PHE 173 CO 0.00 0.00 0.04 -0.51 -0.60 0.00 0.00 178.31 177.24 3g88 s LEU 174 N -4.74 4.26 0.63 1.54 1.43 -0.79 -1.35 118.68 119.66 3g88 s LEU 174 Ca 0.09 0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 54.01 3g88 s LEU 174 Cb 0.11 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 3g88 s LEU 174 CO 0.64 -0.13 1.20 -1.83 0.23 0.00 0.00 176.35 176.45 3g88 s GLU 175 N 1.08 2.75 0.23 1.70 -1.05 -0.17 -4.36 118.70 118.89 3g88 s GLU 175 Ca 0.32 1.76 -0.32 0.00 -0.15 0.00 0.00 54.97 56.58 3g88 s GLU 175 Cb -0.16 -1.91 -0.13 0.00 -0.44 0.00 0.00 34.13 31.49 3g88 s GLU 175 CO 0.14 -1.36 1.54 0.28 0.95 0.00 0.00 175.26 176.81 3g88 n VAL 176 N -1.96 0.61 0.00 1.83 0.31 -1.26 -0.60 118.33 117.25 3g88 n VAL 176 Ca 0.13 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3g88 n VAL 176 Cb 0.50 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 3g88 n VAL 176 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g88 n GLY 177 N 2.71 1.11 3.87 2.92 0.00 0.11 -5.01 105.19 110.91 3g88 n GLY 177 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3g88 n GLY 177 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g88 s GLY 178 N -2.06 1.75 -0.04 -0.02 0.00 0.23 -4.80 107.32 102.38 3g88 s GLY 178 Ca 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 44.72 43.44 3g88 s GLY 178 CO 0.00 -0.38 0.21 0.00 0.00 0.00 0.00 173.10 172.93 3g88 s ALA 179 N -3.75 -0.53 0.09 3.20 0.00 -0.52 -1.43 121.76 118.83 3g88 s ALA 179 Ca 0.74 0.31 0.07 0.00 0.00 0.00 0.00 51.96 53.08 3g88 s ALA 179 Cb -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3g88 s ALA 179 CO 0.54 -0.17 -0.13 0.00 0.00 0.00 0.00 175.76 175.99 3g88 s ALA 180 N -0.69 2.83 -0.23 0.00 0.00 0.26 -2.20 121.76 121.74 3g88 s ALA 180 Ca -0.08 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.64 3g88 s ALA 180 Cb -0.04 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.30 3g88 s ALA 180 CO 0.02 0.62 -0.14 0.08 0.00 0.00 0.00 175.76 176.34 3g88 s VAL 181 N -1.14 2.26 -0.44 0.00 1.01 0.41 -0.79 120.40 121.71 3g88 s VAL 181 Ca 0.19 -1.25 -0.21 0.00 0.00 0.00 0.00 61.98 60.71 3g88 s VAL 181 Cb -0.11 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.15 3g88 s VAL 181 CO 0.11 0.24 0.66 0.00 0.00 0.00 0.00 175.10 176.11 3g88 s ALA 182 N 1.22 3.34 -0.12 5.51 0.00 0.14 -2.30 121.76 129.55 3g88 s ALA 182 Ca -0.02 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 3g88 s ALA 182 Cb -0.17 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 3g88 s ALA 182 CO -0.08 -1.81 1.21 -1.64 0.00 0.00 0.00 175.76 173.43 3g88 s MET 183 N 2.87 4.29 0.26 0.00 -1.94 -0.31 -1.45 119.30 123.03 3g88 s MET 183 Ca 0.23 1.63 0.06 0.00 -1.71 0.00 0.00 55.69 55.91 3g88 s MET 183 Cb -0.14 -3.66 -0.05 0.00 2.01 0.00 0.00 34.83 32.99 3g88 s MET 183 CO 0.19 -0.57 -0.07 0.15 -0.01 0.00 0.00 175.02 174.71 3g88 s LYS 184 N 2.86 1.49 0.00 2.03 -0.14 0.89 -4.27 119.74 122.60 3g88 s LYS 184 Ca 0.54 -1.74 0.00 0.00 -1.36 0.00 0.00 55.97 53.41 3g88 s LYS 184 Cb -0.22 -1.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.84 3g88 s LYS 184 CO 0.17 0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 3g88 n GLY 185 N -0.53 1.01 0.27 -3.33 0.00 -1.26 -1.04 105.19 100.31 3g88 n GLY 185 Ca -0.06 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.18 3g88 n GLY 185 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3g88 h PRO 186 N 0.00 0.15 -4.93 1.61 0.11 -1.86 -3.27 132.00 123.81 3g88 h PRO 186 Ca 0.00 -0.01 -0.67 0.00 0.11 0.00 0.00 66.00 65.43 3g88 h PRO 186 Cb 0.00 -0.03 -0.30 0.00 0.11 0.00 0.00 31.00 30.78 3g88 h PRO 186 CO 0.00 0.12 -0.73 1.03 -0.21 0.00 0.00 178.00 178.21 3g88 s ARG 187 N -5.14 3.03 0.00 1.05 0.52 -1.26 -4.90 118.95 112.25 3g88 s ARG 187 Ca -0.06 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 3g88 s ARG 187 Cb 0.17 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.62 3g88 s ARG 187 CO 0.69 -0.34 0.04 1.33 0.02 0.00 0.00 175.30 177.05 3g88 n VAL 188 N 4.73 0.00 -0.08 3.52 0.24 -1.26 -4.89 118.33 120.58 3g88 n VAL 188 Ca -0.17 -0.32 -0.06 0.00 -2.04 0.00 0.00 64.34 61.75 3g88 n VAL 188 Cb 0.48 1.05 -0.00 0.00 -1.47 0.00 0.00 33.84 33.90 3g88 n VAL 188 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3g88 h GLU 189 N 0.00 -0.10 -0.38 7.34 3.07 -1.98 -0.10 114.58 122.43 3g88 h GLU 189 Ca 0.00 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 3g88 h GLU 189 Cb 0.03 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3g88 h GLU 189 CO 0.00 -0.07 -0.26 0.93 -1.40 0.00 0.00 179.01 178.21 3g88 h GLU 190 N -0.11 0.79 -0.03 2.33 4.39 -2.01 -2.12 114.58 117.83 3g88 h GLU 190 Ca 0.16 -0.34 -0.17 0.00 0.34 0.00 0.00 59.36 59.36 3g88 h GLU 190 Cb 0.36 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3g88 h GLU 190 CO -0.39 0.96 -0.74 0.93 -1.16 0.00 0.00 179.01 178.61 3g88 h GLU 191 N 0.68 0.18 0.03 2.33 5.08 -1.81 -3.25 114.58 117.81 3g88 h GLU 191 Ca 0.08 -0.16 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 3g88 h GLU 191 Cb 0.79 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3g88 h GLU 191 CO 0.07 0.84 -0.99 -0.07 -1.00 0.00 0.00 179.01 177.86 3g88 h LEU 192 N 0.12 0.19 -0.47 1.33 3.38 -0.97 -3.40 115.31 115.48 3g88 h LEU 192 Ca -0.02 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 57.86 3g88 h LEU 192 Cb 1.31 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 3g88 h LEU 192 CO 0.11 1.06 -0.19 0.00 0.09 0.00 0.00 178.44 179.51 3g88 h ALA 193 N 0.92 0.18 -0.43 1.53 0.00 -1.41 -1.54 119.26 118.50 3g88 h ALA 193 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3g88 h ALA 193 Cb 1.68 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3g88 h ALA 193 CO 0.15 -0.53 0.00 -0.35 0.00 0.00 0.00 179.25 178.52 3g88 n PRO 194 N -5.39 2.13 -0.04 0.00 -0.04 -1.26 -4.67 135.00 125.74 3g88 n PRO 194 Ca 0.04 -1.74 -0.14 0.00 -0.04 0.00 0.00 63.50 61.61 3g88 n PRO 194 Cb 0.30 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 3g88 n PRO 194 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3g88 h LEU 195 N 3.01 0.38 -0.92 1.53 5.85 -1.49 -3.37 115.31 120.30 3g88 h LEU 195 Ca 0.00 -0.60 0.16 0.00 0.84 0.00 0.00 57.88 58.27 3g88 h LEU 195 Cb 0.68 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 3g88 h LEU 195 CO 0.00 0.92 0.52 -0.65 -0.34 0.00 0.00 178.44 178.89 3g88 h PRO 196 N -0.14 0.71 -0.30 5.25 0.11 -1.83 0.37 132.00 136.18 3g88 h PRO 196 Ca -0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 3g88 h PRO 196 Cb 0.88 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 3g88 h PRO 196 CO 0.06 0.47 -0.02 -1.35 -0.21 0.00 0.00 178.00 176.95 3g88 h PRO 197 N 0.73 0.46 -0.30 1.05 0.11 -1.96 -1.84 132.00 130.26 3g88 h PRO 197 Ca 0.51 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 66.41 3g88 h PRO 197 Cb 0.70 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3g88 h PRO 197 CO -0.35 0.50 -0.29 0.00 -0.21 0.00 0.00 178.00 177.64 3g88 h ALA 198 N 1.55 0.93 -0.48 -0.75 0.00 -1.15 -2.75 119.26 116.61 3g88 h ALA 198 Ca 0.10 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3g88 h ALA 198 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3g88 h ALA 198 CO 0.01 0.61 0.21 -0.07 0.00 0.00 0.00 179.25 180.01 3g88 h LEU 199 N 0.53 0.65 -0.77 0.00 3.38 -0.71 -2.73 115.31 115.66 3g88 h LEU 199 Ca 0.07 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.00 3g88 h LEU 199 Cb 0.77 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 3g88 h LEU 199 CO 0.06 0.62 0.40 -0.08 0.09 0.00 0.00 178.44 179.53 3g88 h GLU 200 N 0.64 0.62 0.00 1.13 4.57 -1.16 0.15 114.58 120.52 3g88 h GLU 200 Ca 0.16 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3g88 h GLU 200 Cb 0.16 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3g88 h GLU 200 CO -0.02 0.41 -0.02 0.00 -1.18 0.00 0.00 179.01 178.20 3g88 h ARG 201 N 0.63 0.00 -0.02 1.92 3.08 -1.20 -2.26 114.38 116.53 3g88 h ARG 201 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3g88 h ARG 201 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3g88 h ARG 201 CO -0.30 0.02 -0.28 1.28 -1.07 0.00 0.00 179.97 179.62 3g88 n LEU 202 N -3.47 2.41 0.00 3.04 4.77 -0.07 -4.45 117.00 119.23 3g88 n LEU 202 Ca -0.03 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 3g88 n LEU 202 Cb 0.11 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3g88 n LEU 202 CO 0.25 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3g88 n GLY 203 N 1.39 0.62 3.80 -0.72 0.00 -0.85 -3.99 105.19 105.44 3g88 n GLY 203 Ca 0.11 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 3g88 n GLY 203 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g88 s GLY 204 N -2.41 2.15 0.04 -0.02 0.00 0.34 -0.46 107.32 106.97 3g88 s GLY 204 Ca 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 44.72 42.80 3g88 s GLY 204 CO 0.00 -1.78 -0.08 0.50 0.00 0.00 0.00 173.10 171.74 3g88 s ARG 205 N -3.99 0.55 -0.05 2.90 1.81 -0.28 -3.12 118.95 116.77 3g88 s ARG 205 Ca 0.43 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 53.39 3g88 s ARG 205 Cb -0.01 -0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 34.12 3g88 s ARG 205 CO 0.25 0.06 1.30 -1.17 -0.68 0.00 0.00 175.30 175.06 3g88 s LEU 206 N -1.53 4.28 0.00 2.53 2.96 -1.26 -0.61 118.68 125.04 3g88 s LEU 206 Ca -0.09 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 3g88 s LEU 206 Cb -0.10 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3g88 s LEU 206 CO 0.01 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 174.97 3g88 n GLY 207 N 3.54 0.86 3.76 7.98 0.00 0.17 -4.84 105.19 116.65 3g88 n GLY 207 Ca 0.12 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 3g88 n GLY 207 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g88 s GLU 208 N 1.45 2.43 -0.32 1.61 -1.05 -1.26 -4.66 118.70 116.89 3g88 s GLU 208 Ca 0.00 1.35 -0.01 0.00 -0.15 0.00 0.00 54.97 56.16 3g88 s GLU 208 Cb 0.00 -1.91 0.06 0.00 -0.44 0.00 0.00 34.13 31.85 3g88 s GLU 208 CO 0.00 -1.53 0.03 0.08 0.95 0.00 0.00 175.26 174.79 3g88 s VAL 209 N -2.53 2.96 -0.27 1.83 1.01 -1.26 -0.97 120.40 121.16 3g88 s VAL 209 Ca 0.65 -1.57 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 3g88 s VAL 209 Cb -0.20 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3g88 s VAL 209 CO 0.48 -0.24 0.62 -0.22 0.00 0.00 0.00 175.10 175.75 3g88 s LEU 210 N 1.20 4.09 -0.01 3.92 2.96 0.25 -4.90 118.68 126.20 3g88 s LEU 210 Ca -0.02 0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 54.30 3g88 s LEU 210 Cb -0.20 -2.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 3g88 s LEU 210 CO -0.02 -0.41 0.51 0.00 -1.32 0.00 0.00 176.35 175.11 3g88 s ALA 211 N 2.54 3.56 0.16 5.97 0.00 -1.26 -0.55 121.76 132.18 3g88 s ALA 211 Ca 0.26 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 3g88 s ALA 211 Cb -0.15 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.37 3g88 s ALA 211 CO 0.10 0.27 0.35 -0.48 0.00 0.00 0.00 175.76 176.00 3g88 s LEU 212 N -0.45 0.71 -0.16 0.00 0.05 -0.81 -5.01 118.68 113.01 3g88 s LEU 212 Ca 0.27 -0.70 -0.00 0.00 0.05 0.00 0.00 54.13 53.75 3g88 s LEU 212 Cb -0.17 1.50 -0.00 0.00 -2.05 0.00 0.00 46.19 45.46 3g88 s LEU 212 CO 0.15 -0.92 -0.13 -1.58 -0.55 0.00 0.00 176.35 173.31 3g88 s GLN 213 N -3.92 3.27 0.35 1.48 0.74 -1.26 -0.87 119.66 119.45 3g88 s GLN 213 Ca 0.13 -0.72 -0.27 0.00 0.05 0.00 0.00 55.36 54.54 3g88 s GLN 213 Cb 0.02 -2.68 -0.12 0.00 1.10 0.00 0.00 33.01 31.33 3g88 s GLN 213 CO -0.03 0.01 1.25 1.28 -0.55 0.00 0.00 175.29 177.26 3g88 n LEU 214 N 4.09 3.43 0.17 3.68 4.77 0.26 -4.83 117.00 128.56 3g88 n LEU 214 Ca -0.19 1.18 0.01 0.00 -0.03 0.00 0.00 56.01 56.99 3g88 n LEU 214 Cb 0.52 -1.46 0.31 0.00 -2.33 0.00 0.00 43.42 40.45 3g88 n LEU 214 CO 0.29 -0.63 0.68 1.55 -1.33 0.00 0.00 177.39 177.95 3g88 h PRO 215 N 2.39 0.02 0.00 3.23 0.13 -1.91 -0.45 132.00 135.41 3g88 h PRO 215 Ca -0.46 -0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 3g88 h PRO 215 Cb 1.29 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 3g88 h PRO 215 CO 0.62 0.44 -2.28 1.28 -0.23 0.00 0.00 178.00 177.83 3g88 n LEU 216 N -4.04 0.23 -0.02 1.56 4.77 -1.26 -4.57 117.00 113.66 3g88 n LEU 216 Ca -0.02 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 3g88 n LEU 216 Cb 0.45 0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.76 3g88 n LEU 216 CO 0.40 0.49 -0.74 -1.54 -1.33 0.00 0.00 177.39 174.67 3g88 n SER 217 N -2.73 0.26 0.00 -1.43 3.41 -1.24 -4.97 113.62 106.93 3g88 n SER 217 Ca -0.31 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3g88 n SER 217 Cb 1.09 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 66.16 3g88 n SER 217 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g88 n GLY 218 N 1.46 0.63 3.77 5.00 0.00 -0.18 -4.97 105.19 110.89 3g88 n GLY 218 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 3g88 n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g88 s GLU 219 N -0.32 4.00 0.34 1.61 2.02 -1.26 -4.46 118.70 120.63 3g88 s GLU 219 Ca 0.00 2.15 -0.27 0.00 0.02 0.00 0.00 54.97 56.86 3g88 s GLU 219 Cb 0.00 -2.78 -0.09 0.00 0.10 0.00 0.00 34.13 31.36 3g88 s GLU 219 CO 0.00 -0.46 1.13 0.00 0.02 0.00 0.00 175.26 175.95 3g88 s ALA 220 N -1.26 3.30 0.07 5.21 0.00 -1.26 -0.57 121.76 127.24 3g88 s ALA 220 Ca 0.56 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3g88 s ALA 220 Cb -0.38 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3g88 s ALA 220 CO 0.49 -0.31 -0.05 1.03 0.00 0.00 0.00 175.76 176.92 3g88 s ARG 221 N -1.88 0.67 -0.04 0.00 1.81 -0.05 -2.70 118.95 116.76 3g88 s ARG 221 Ca 0.50 -1.19 0.01 0.00 -1.72 0.00 0.00 55.73 53.33 3g88 s ARG 221 Cb -0.31 0.01 0.02 0.00 -0.45 0.00 0.00 34.95 34.22 3g88 s ARG 221 CO 0.39 -0.06 -0.04 -1.01 -0.68 0.00 0.00 175.30 173.91 3g88 s HIS 222 N -3.48 0.66 -0.40 -0.53 3.76 -0.20 -1.93 115.29 113.17 3g88 s HIS 222 Ca 0.06 -0.16 -0.16 0.00 -0.15 0.00 0.00 55.06 54.65 3g88 s HIS 222 Cb 0.05 -0.61 0.01 0.00 1.11 0.00 0.00 32.58 33.14 3g88 s HIS 222 CO -0.07 -0.17 0.37 -0.51 -0.85 0.00 0.00 174.74 173.50 3g88 s LEU 223 N 0.91 4.86 -0.36 0.89 1.43 0.29 -0.07 118.68 126.62 3g88 s LEU 223 Ca -0.11 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 3g88 s LEU 223 Cb -0.14 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.79 3g88 s LEU 223 CO -0.00 -0.47 0.43 -0.69 0.23 0.00 0.00 176.35 175.84 3g88 s VAL 224 N 1.94 5.10 -0.10 -1.59 1.01 -0.53 -0.58 120.40 125.64 3g88 s VAL 224 Ca 0.09 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 3g88 s VAL 224 Cb -0.18 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3g88 s VAL 224 CO 0.12 -0.21 0.45 -0.69 0.00 0.00 0.00 175.10 174.77 3g88 s VAL 225 N 2.17 5.17 -0.19 2.92 1.01 -0.15 -0.68 120.40 130.65 3g88 s VAL 225 Ca 0.14 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 62.99 3g88 s VAL 225 Cb -0.16 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 3g88 s VAL 225 CO 0.13 0.37 -0.10 -0.76 0.00 0.00 0.00 175.10 174.74 3g88 s LEU 226 N 0.34 2.69 -0.03 3.92 1.43 0.03 0.42 118.68 127.48 3g88 s LEU 226 Ca 0.25 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 3g88 s LEU 226 Cb -0.15 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3g88 s LEU 226 CO 0.10 0.03 0.34 -1.61 0.23 0.00 0.00 176.35 175.44 3g88 s GLU 227 N 1.17 3.80 -0.35 1.70 0.41 0.21 -0.57 118.70 125.07 3g88 s GLU 227 Ca 0.02 0.27 -0.15 0.00 -0.41 0.00 0.00 54.97 54.69 3g88 s GLU 227 Cb -0.14 -3.22 -0.01 0.00 -1.78 0.00 0.00 34.13 28.98 3g88 s GLU 227 CO -0.03 0.70 0.36 0.21 -0.49 0.00 0.00 175.26 176.01 3g88 s LYS 228 N -1.03 3.48 -0.05 1.61 2.47 -0.52 -1.12 119.74 124.58 3g88 s LYS 228 Ca 0.21 -0.49 0.07 0.00 -1.56 0.00 0.00 55.97 54.20 3g88 s LYS 228 Cb -0.15 -3.83 -0.11 0.00 -1.46 0.00 0.00 37.83 32.28 3g88 s LYS 228 CO 0.11 -0.56 0.08 -2.37 0.16 0.00 0.00 175.35 172.77 3g88 n THR 229 N 5.25 0.33 -3.98 3.43 5.66 0.40 0.08 114.28 125.45 3g88 n THR 229 Ca -0.09 -0.28 -0.09 0.00 -3.05 0.00 0.00 64.05 60.54 3g88 n THR 229 Cb 0.49 -0.39 -0.08 0.00 -1.55 0.00 0.00 70.33 68.80 3g88 n THR 229 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3g88 s ALA 230 N -2.33 0.12 0.36 1.79 0.00 -0.59 -4.81 121.76 116.30 3g88 s ALA 230 Ca -0.04 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.69 3g88 s ALA 230 Cb 0.03 0.81 -0.10 0.00 0.00 0.00 0.00 23.12 23.87 3g88 s ALA 230 CO 0.33 -0.60 1.35 -2.14 0.00 0.00 0.00 175.76 174.69 3g88 s PRO 231 N -3.97 4.19 0.07 0.00 0.02 -1.26 -4.47 135.00 129.59 3g88 s PRO 231 Ca 0.17 2.29 -0.31 0.00 0.02 0.00 0.00 61.00 63.17 3g88 s PRO 231 Cb 0.04 -2.97 -0.07 0.00 0.02 0.00 0.00 34.50 31.53 3g88 s PRO 231 CO -0.01 -0.35 1.35 0.99 -0.33 0.00 0.00 177.00 178.64 3g88 s THR 232 N -1.16 3.58 0.74 0.99 2.01 -1.26 -4.56 115.64 115.98 3g88 s THR 232 Ca 0.52 1.10 -0.15 0.00 0.31 0.00 0.00 61.69 63.47 3g88 s THR 232 Cb -0.41 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.43 3g88 s THR 232 CO 0.55 0.06 1.24 -2.84 -0.69 0.00 0.00 174.62 172.94 3g88 s PRO 233 N 1.41 2.04 0.27 4.92 0.02 -1.26 -4.86 135.00 137.54 3g88 s PRO 233 Ca 0.63 1.88 0.21 0.00 0.02 0.00 0.00 61.00 63.74 3g88 s PRO 233 Cb -0.34 -1.81 1.02 0.00 0.02 0.00 0.00 34.50 33.40 3g88 s PRO 233 CO 0.29 -1.94 1.64 -0.35 -0.33 0.00 0.00 177.00 176.31 3g88 n PRO 234 N -2.70 0.15 0.29 5.54 -0.04 -1.26 -1.92 135.00 135.05 3g88 n PRO 234 Ca 0.14 0.54 0.16 0.00 -0.04 0.00 0.00 63.50 64.31 3g88 n PRO 234 Cb 0.50 -1.89 0.84 0.00 -0.04 0.00 0.00 33.50 32.91 3g88 n PRO 234 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g88 h ALA 235 N 2.11 1.14 -3.97 0.55 0.00 -1.99 -3.44 119.26 113.67 3g88 h ALA 235 Ca 0.00 -0.06 -0.69 0.00 0.00 0.00 0.00 54.91 54.17 3g88 h ALA 235 Cb 0.14 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.70 3g88 h ALA 235 CO 0.00 0.08 -0.81 0.71 0.00 0.00 0.00 179.25 179.23 3g88 s TYR 236 N -4.05 2.54 0.63 0.00 2.02 -0.81 -3.63 117.35 114.05 3g88 s TYR 236 Ca -0.02 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 3g88 s TYR 236 Cb 0.12 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 3g88 s TYR 236 CO 0.53 0.26 1.04 -1.25 -1.57 0.00 0.00 175.55 174.56 3g88 s PRO 237 N -1.49 3.39 0.92 -1.71 0.04 -1.26 -4.84 135.00 130.06 3g88 s PRO 237 Ca 0.15 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 61.91 3g88 s PRO 237 Cb -0.10 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.60 3g88 s PRO 237 CO 0.05 -0.74 1.11 0.54 0.04 0.00 0.00 177.00 178.01 3g88 n ARG 238 N -2.69 -1.64 -1.51 4.56 1.74 -1.24 -5.01 116.66 110.88 3g88 n ARG 238 Ca 0.07 -1.73 -0.32 0.00 -0.77 0.00 0.00 57.85 55.09 3g88 n ARG 238 Cb 0.54 -1.27 0.07 0.00 -1.02 0.00 0.00 32.46 30.78 3g88 n ARG 238 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3g88 s ARG 239 N -5.45 2.45 0.01 5.56 0.52 -1.26 -4.77 118.95 116.01 3g88 s ARG 239 Ca 0.65 1.39 -0.38 0.00 -0.52 0.00 0.00 55.73 56.87 3g88 s ARG 239 Cb -0.03 -1.91 -0.17 0.00 0.52 0.00 0.00 34.95 33.36 3g88 s ARG 239 CO 0.47 -1.52 1.37 -2.30 0.02 0.00 0.00 175.30 173.34 3g88 n PRO 240 N -2.87 1.00 0.00 3.54 -0.02 -1.26 -0.32 135.00 135.07 3g88 n PRO 240 Ca 0.10 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3g88 n PRO 240 Cb 0.52 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3g88 n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g88 n GLY 241 N 2.68 2.99 0.12 -1.23 0.00 -1.26 -4.90 105.19 103.58 3g88 n GLY 241 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3g88 n GLY 241 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g88 h VAL 242 N 0.00 1.36 -0.91 1.61 2.07 -0.98 -1.91 116.25 117.49 3g88 h VAL 242 Ca 0.00 -1.30 0.12 0.00 0.82 0.00 0.00 66.70 66.34 3g88 h VAL 242 Cb 0.00 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3g88 h VAL 242 CO 0.00 0.37 0.59 -0.65 0.02 0.00 0.00 177.57 177.90 3g88 h PRO 243 N -0.12 0.79 -0.16 1.57 0.11 -1.83 0.22 132.00 132.58 3g88 h PRO 243 Ca 0.02 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.89 3g88 h PRO 243 Cb 0.66 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 3g88 h PRO 243 CO 0.03 0.52 -0.66 1.49 -0.21 0.00 0.00 178.00 179.17 3g88 h GLU 244 N 0.81 0.60 0.01 1.05 4.81 -1.91 -2.26 114.58 117.70 3g88 h GLU 244 Ca 0.45 -0.44 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 3g88 h GLU 244 Cb 0.57 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3g88 h GLU 244 CO -0.21 1.06 -0.98 0.00 -0.73 0.00 0.00 179.01 178.16 3g88 h ARG 245 N 0.44 0.43 -2.21 1.92 3.08 -0.69 -3.39 114.38 113.97 3g88 h ARG 245 Ca -0.02 -0.48 -0.58 0.00 0.07 0.00 0.00 59.98 58.97 3g88 h ARG 245 Cb 1.25 0.14 -0.40 0.00 0.08 0.00 0.00 29.97 31.04 3g88 h ARG 245 CO 0.13 1.14 -0.90 0.72 -1.07 0.00 0.00 179.97 179.99 3g88 n HIS 246 N -3.74 0.96 -0.93 3.04 8.25 0.71 -5.09 115.22 118.42 3g88 n HIS 246 Ca -0.07 -3.75 -0.31 0.00 -0.26 0.00 0.00 57.72 53.32 3g88 n HIS 246 Cb 0.86 -0.33 0.14 0.00 1.12 0.00 0.00 29.99 31.77 3g88 n HIS 246 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3g88 s PRO 247 N -1.37 1.48 0.52 -0.41 0.02 -0.85 -4.66 135.00 129.72 3g88 s PRO 247 Ca 0.35 1.45 0.30 0.00 0.02 0.00 0.00 61.00 63.13 3g88 s PRO 247 Cb 0.12 -1.79 1.27 0.00 0.02 0.00 0.00 34.50 34.13 3g88 s PRO 247 CO -0.10 -2.27 1.96 -0.07 -0.33 0.00 0.00 177.00 176.18 3g88 h LEU 248 N -1.52 0.00 0.00 -5.54 3.38 -1.82 -3.51 115.31 106.31 3g88 h LEU 248 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3g88 h LEU 248 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3g88 h LEU 248 CO 0.45 0.08 0.00 0.00 0.09 0.00 0.00 178.44 179.06