#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g8b n GLY 9 N 0.00 2.05 3.76 -0.02 0.00 -1.26 -4.93 105.19 104.79 3g8b n GLY 9 Ca 0.00 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 3g8b n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g8b s LEU 10 N 0.00 4.45 0.88 0.99 1.43 -1.26 -4.87 118.68 120.30 3g8b s LEU 10 Ca 0.00 2.58 -0.13 0.00 -1.03 0.00 0.00 54.13 55.54 3g8b s LEU 10 Cb 0.00 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.71 3g8b s LEU 10 CO 0.00 -0.47 1.22 -0.94 0.23 0.00 0.00 176.35 176.39 3g8b s SER 11 N -0.43 3.87 0.28 2.29 1.04 -1.26 -4.78 113.70 114.71 3g8b s SER 11 Ca 0.49 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.59 3g8b s SER 11 Cb -0.38 -1.01 0.59 0.00 0.10 0.00 0.00 66.02 65.32 3g8b s SER 11 CO 0.49 -2.29 1.80 1.05 0.98 0.00 0.00 173.24 175.26 3g8b h GLU 12 N -1.33 0.80 -0.04 4.02 9.09 -2.00 -0.57 114.58 124.56 3g8b h GLU 12 Ca -0.46 -0.05 -0.25 0.00 0.05 0.00 0.00 59.36 58.65 3g8b h GLU 12 Cb 1.30 -0.18 0.02 0.00 -1.65 0.00 0.00 28.75 28.24 3g8b h GLU 12 CO 0.56 0.53 -0.96 -0.09 0.05 0.00 0.00 179.01 179.11 3g8b h ARG 13 N 0.83 0.68 -0.60 1.06 2.43 -1.99 -2.47 114.38 114.32 3g8b h ARG 13 Ca 0.51 -0.68 0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3g8b h ARG 13 Cb 0.64 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 3g8b h ARG 13 CO -0.32 1.27 0.38 0.78 -1.51 0.00 0.00 179.97 180.57 3g8b h GLY 14 N 0.58 0.85 1.01 2.80 0.00 -1.72 -0.34 103.07 106.26 3g8b h GLY 14 Ca -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 3g8b h GLY 14 CO 0.19 0.26 0.30 3.21 0.00 0.00 0.00 176.54 180.50 3g8b h ARG 15 N 0.75 1.01 -0.62 4.80 3.08 -1.13 -1.84 114.38 120.43 3g8b h ARG 15 Ca 0.23 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3g8b h ARG 15 Cb -0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3g8b h ARG 15 CO -0.08 0.82 0.25 0.00 -1.07 0.00 0.00 179.97 179.89 3g8b h ALA 16 N 1.14 0.80 0.02 0.04 0.00 -0.95 -1.30 119.26 119.02 3g8b h ALA 16 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3g8b h ALA 16 Cb 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3g8b h ALA 16 CO -0.02 0.41 -0.01 -0.07 0.00 0.00 0.00 179.25 179.56 3g8b h LEU 17 N 0.86 -0.03 -0.42 0.00 3.38 -0.88 -0.50 115.31 117.73 3g8b h LEU 17 Ca 0.21 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3g8b h LEU 17 Cb 0.20 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3g8b h LEU 17 CO -0.02 0.07 0.13 0.25 0.09 0.00 0.00 178.44 178.96 3g8b h LEU 18 N -0.12 0.12 -0.13 1.67 5.85 -1.23 0.19 115.31 121.66 3g8b h LEU 18 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3g8b h LEU 18 Cb 0.11 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3g8b h LEU 18 CO 0.01 0.10 0.08 0.25 -0.34 0.00 0.00 178.44 178.54 3g8b h LEU 19 N 0.28 0.15 -0.44 2.25 6.46 -1.09 0.62 115.31 123.53 3g8b h LEU 19 Ca 0.20 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3g8b h LEU 19 Cb 0.20 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3g8b h LEU 19 CO -0.22 0.11 0.23 -0.08 -0.62 0.00 0.00 178.44 177.86 3g8b h GLU 20 N 0.17 0.63 -0.65 1.25 4.81 -0.64 -1.59 114.58 118.55 3g8b h GLU 20 Ca 0.05 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3g8b h GLU 20 Cb -0.02 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3g8b h GLU 20 CO -0.01 0.52 0.22 0.78 -0.73 0.00 0.00 179.01 179.79 3g8b h GLY 21 N 0.58 1.05 0.93 1.92 0.00 -0.44 -2.52 103.07 104.59 3g8b h GLY 21 Ca 0.15 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3g8b h GLY 21 CO -0.02 0.55 0.12 -1.33 0.00 0.00 0.00 176.54 175.86 3g8b h GLY 22 N 1.05 0.30 0.50 4.60 0.00 -0.40 -2.42 103.07 106.69 3g8b h GLY 22 Ca 0.22 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.54 3g8b h GLY 22 CO -0.01 0.08 0.31 0.50 0.00 0.00 0.00 176.54 177.42 3g8b h LYS 23 N 0.26 0.53 0.00 4.80 1.57 -1.04 0.11 116.57 122.80 3g8b h LYS 23 Ca 0.09 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3g8b h LYS 23 Cb 0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3g8b h LYS 23 CO -0.05 0.35 -0.01 0.00 -0.57 0.00 0.00 179.45 179.17 3g8b h ALA 24 N 1.40 1.53 -0.01 3.86 0.00 -1.04 0.18 119.26 125.18 3g8b h ALA 24 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3g8b h ALA 24 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3g8b h ALA 24 CO -0.26 0.01 -0.11 1.28 0.00 0.00 0.00 179.25 180.17 3g8b n LEU 25 N -3.87 1.52 0.00 0.00 4.77 -0.14 -4.93 117.00 114.35 3g8b n LEU 25 Ca -0.03 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3g8b n LEU 25 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3g8b n LEU 25 CO 0.28 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3g8b n GLY 26 N 1.26 0.66 3.40 -0.72 0.00 0.63 -4.71 105.19 105.72 3g8b n GLY 26 Ca 0.16 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 3g8b n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g8b s LEU 27 N 0.00 2.36 -0.42 0.99 1.43 0.22 -4.98 118.68 118.28 3g8b s LEU 27 Ca 0.00 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.32 3g8b s LEU 27 Cb 0.00 -1.29 0.07 0.00 0.03 0.00 0.00 46.19 45.00 3g8b s LEU 27 CO 0.00 0.20 0.26 -0.62 0.23 0.00 0.00 176.35 176.42 3g8b s ASP 28 N -1.90 5.71 0.00 2.29 2.15 -1.26 -2.66 116.67 120.99 3g8b s ASP 28 Ca 0.14 -1.39 0.23 0.00 0.43 0.00 0.00 52.55 51.97 3g8b s ASP 28 Cb -0.10 -2.01 0.44 0.00 -0.30 0.00 0.00 42.92 40.95 3g8b s ASP 28 CO 0.06 -0.52 1.42 0.18 -0.17 0.00 0.00 175.17 176.13 3g8b n LEU 29 N 4.96 3.52 -0.18 -1.34 4.77 -1.26 -4.46 117.00 123.01 3g8b n LEU 29 Ca -0.11 -1.53 -0.01 0.00 -0.03 0.00 0.00 56.01 54.34 3g8b n LEU 29 Cb 0.44 -0.27 0.09 0.00 -2.33 0.00 0.00 43.42 41.35 3g8b n LEU 29 CO 0.39 0.76 0.93 0.50 -1.33 0.00 0.00 177.39 178.64 3g8b h LYS 30 N 4.50 0.27 0.00 3.23 3.64 -1.94 0.18 116.57 126.45 3g8b h LYS 30 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3g8b h LYS 30 Cb 0.99 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3g8b h LYS 30 CO 0.00 0.18 0.00 -2.30 -2.27 0.00 0.00 179.45 175.06 3g8b n PRO 31 N -5.09 0.19 -0.06 1.90 -0.02 -1.26 -2.87 135.00 127.78 3g8b n PRO 31 Ca 0.07 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 3g8b n PRO 31 Cb 0.27 -1.93 0.08 0.00 -0.02 0.00 0.00 33.50 31.90 3g8b n PRO 31 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g8b n HIS 32 N -2.29 0.16 -0.27 6.00 8.25 -0.05 -4.62 115.22 122.41 3g8b n HIS 32 Ca 0.01 -0.19 -0.03 0.00 -0.26 0.00 0.00 57.72 57.24 3g8b n HIS 32 Cb 0.17 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.35 3g8b n HIS 32 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3g8b h LEU 33 N 1.90 0.80 -0.63 2.41 3.38 -1.14 -2.14 115.31 119.89 3g8b h LEU 33 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3g8b h LEU 33 Cb 0.53 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3g8b h LEU 33 CO 0.00 0.56 0.35 -0.08 0.09 0.00 0.00 178.44 179.36 3g8b h GLU 34 N 0.95 0.87 -0.19 1.13 4.81 -1.82 -0.44 114.58 119.88 3g8b h GLU 34 Ca 0.29 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3g8b h GLU 34 Cb -0.02 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3g8b h GLU 34 CO -0.10 0.65 0.10 0.00 -0.73 0.00 0.00 179.01 178.93 3g8b h ALA 35 N 1.17 0.25 -0.18 2.92 0.00 -1.78 -0.89 119.26 120.75 3g8b h ALA 35 Ca 0.22 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3g8b h ALA 35 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3g8b h ALA 35 CO -0.04 -0.20 -0.29 0.74 0.00 0.00 0.00 179.25 179.47 3g8b h PHE 36 N 0.19 0.38 -0.61 0.00 0.04 -1.25 -0.24 116.94 115.45 3g8b h PHE 36 Ca 0.07 -0.08 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 3g8b h PHE 36 Cb 0.10 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3g8b h PHE 36 CO -0.03 0.60 0.09 1.03 -0.60 0.00 0.00 178.31 179.40 3g8b h SER 37 N 0.30 0.98 -0.50 2.17 0.87 -0.83 -0.39 113.55 116.14 3g8b h SER 37 Ca 0.04 -0.26 -0.12 0.00 -1.23 0.00 0.00 61.79 60.22 3g8b h SER 37 Cb 0.66 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3g8b h SER 37 CO 0.05 0.99 -0.17 -0.09 -0.53 0.00 0.00 176.83 177.08 3g8b h ARG 38 N 0.93 1.01 -0.34 2.24 9.65 -0.71 -0.91 114.38 126.24 3g8b h ARG 38 Ca 0.19 -0.41 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 3g8b h ARG 38 Cb 0.43 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 3g8b h ARG 38 CO 0.01 1.09 0.22 1.25 2.80 0.00 0.00 179.97 185.34 3g8b h LEU 39 N 0.88 0.40 -0.53 3.80 5.85 -0.88 -1.14 115.31 123.68 3g8b h LEU 39 Ca 0.12 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3g8b h LEU 39 Cb 0.74 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 3g8b h LEU 39 CO 0.06 0.31 0.27 0.22 -0.34 0.00 0.00 178.44 178.95 3g8b h TYR 40 N 0.45 0.49 -0.87 1.25 3.20 -0.83 -0.70 116.97 119.95 3g8b h TYR 40 Ca 0.12 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.05 3g8b h TYR 40 Cb -0.03 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.05 3g8b h TYR 40 CO -0.05 0.23 0.56 0.00 -1.64 0.00 0.00 178.16 177.27 3g8b h ALA 41 N 1.29 1.15 -0.62 1.82 0.00 -0.83 -0.92 119.26 121.15 3g8b h ALA 41 Ca 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3g8b h ALA 41 Cb 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3g8b h ALA 41 CO -0.17 0.41 0.36 -0.07 0.00 0.00 0.00 179.25 179.78 3g8b h LEU 42 N 1.09 0.76 -0.50 0.00 3.38 -0.38 -1.00 115.31 118.66 3g8b h LEU 42 Ca 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3g8b h LEU 42 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3g8b h LEU 42 CO -0.12 0.61 0.28 -0.07 0.09 0.00 0.00 178.44 179.24 3g8b h LEU 43 N 0.84 0.62 0.04 1.67 3.38 -0.37 -0.69 115.31 120.80 3g8b h LEU 43 Ca 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3g8b h LEU 43 Cb 0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3g8b h LEU 43 CO -0.04 0.52 -0.04 1.56 0.09 0.00 0.00 178.44 180.53 3g8b h GLN 44 N 0.67 -0.09 0.11 1.13 4.20 -1.00 -1.35 115.11 118.78 3g8b h GLN 44 Ca 0.18 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.91 3g8b h GLN 44 Cb 0.04 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3g8b h GLN 44 CO -0.03 -0.06 -0.23 1.49 -0.67 0.00 0.00 178.83 179.33 3g8b h GLU 45 N -0.09 -0.41 -0.12 1.46 4.81 -0.91 0.14 114.58 119.45 3g8b h GLU 45 Ca 0.00 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3g8b h GLU 45 Cb 0.09 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3g8b h GLU 45 CO -0.01 -0.27 0.05 0.00 -0.73 0.00 0.00 179.01 178.04 3g8b h ALA 46 N 0.35 0.14 0.00 2.92 0.00 -1.11 -2.46 119.26 119.10 3g8b h ALA 46 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3g8b h ALA 46 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3g8b h ALA 46 CO -0.14 -0.40 -0.17 0.66 0.00 0.00 0.00 179.25 179.21 3g8b h SER 47 N 0.12 0.00 0.88 0.00 4.64 -1.05 -2.40 113.55 115.74 3g8b h SER 47 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3g8b h SER 47 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3g8b h SER 47 CO -0.04 0.17 0.00 1.23 -0.87 0.00 0.00 176.83 177.32 3g8b h GLY 48 N 1.41 0.00 1.40 -0.77 0.00 -0.23 -2.76 103.07 102.12 3g8b h GLY 48 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3g8b h GLY 48 CO 0.02 0.00 -0.36 0.28 0.00 0.00 0.00 176.54 176.48 3g8b n LYS 49 N -2.38 0.12 -3.37 4.80 5.02 -0.90 -4.81 118.16 116.63 3g8b n LYS 49 Ca 0.02 0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.98 3g8b n LYS 49 Cb 0.27 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3g8b n LYS 49 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3g8b s VAL 50 N -3.06 5.05 0.02 -0.18 1.01 -1.04 -5.02 120.40 117.18 3g8b s VAL 50 Ca 0.10 0.96 -0.23 0.00 0.00 0.00 0.00 61.98 62.82 3g8b s VAL 50 Cb 0.16 -3.80 -0.17 0.00 0.00 0.00 0.00 36.38 32.58 3g8b s VAL 50 CO 0.65 0.45 1.32 0.78 0.00 0.00 0.00 175.10 178.31 3g8b h ASN 51 N 5.65 0.22 0.73 3.32 2.35 -1.87 -3.36 115.58 122.62 3g8b h ASN 51 Ca -0.46 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 54.81 3g8b h ASN 51 Cb 1.20 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3g8b h ASN 51 CO 0.69 0.66 -1.22 0.18 -1.65 0.00 0.00 177.43 176.08 3g8b n LEU 52 N -4.68 0.64 -4.53 1.61 4.77 -1.26 -4.95 117.00 108.59 3g8b n LEU 52 Ca -0.07 0.23 -0.25 0.00 -0.03 0.00 0.00 56.01 55.88 3g8b n LEU 52 Cb 0.31 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 3g8b n LEU 52 CO 0.37 -0.13 -0.38 0.42 -1.33 0.00 0.00 177.39 176.34 3g8b s THR 53 N -3.38 2.16 0.04 -5.08 -4.23 -1.26 -5.15 115.64 98.73 3g8b s THR 53 Ca -0.02 -2.19 -0.13 0.00 -1.18 0.00 0.00 61.69 58.17 3g8b s THR 53 Cb 0.11 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.33 3g8b s THR 53 CO 0.82 -0.20 0.30 0.00 -0.54 0.00 0.00 174.62 174.99 3g8b s ALA 54 N -2.66 -0.66 0.46 3.99 0.00 -1.26 -4.70 121.76 116.92 3g8b s ALA 54 Ca 0.32 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.03 3g8b s ALA 54 Cb 0.03 0.31 -0.08 0.00 0.00 0.00 0.00 23.12 23.38 3g8b s ALA 54 CO 0.16 -0.41 1.28 -0.11 0.00 0.00 0.00 175.76 176.68 3g8b n LEU 55 N 0.60 4.36 -4.68 0.00 7.94 -1.26 -4.98 117.00 118.98 3g8b n LEU 55 Ca -0.19 1.06 -0.29 0.00 -1.11 0.00 0.00 56.01 55.49 3g8b n LEU 55 Cb 0.59 -1.51 0.17 0.00 0.53 0.00 0.00 43.42 43.19 3g8b n LEU 55 CO 0.21 -0.68 0.64 -0.13 -1.11 0.00 0.00 177.39 176.32 3g8b s ARG 56 N -2.38 0.68 0.83 1.96 0.52 -1.26 -4.96 118.95 114.33 3g8b s ARG 56 Ca 0.64 0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 56.41 3g8b s ARG 56 Cb -0.48 -1.75 0.01 0.00 0.52 0.00 0.00 34.95 33.25 3g8b s ARG 56 CO 0.56 -2.61 0.58 0.41 0.02 0.00 0.00 175.30 174.25 3g8b n GLY 57 N -0.90 -1.51 0.14 -3.53 0.00 -1.26 -4.69 105.19 93.44 3g8b n GLY 57 Ca 0.06 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 3g8b n GLY 57 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g8b h GLU 58 N -0.93 0.01 -0.71 1.61 4.81 -2.00 -1.87 114.58 115.50 3g8b h GLU 58 Ca -0.45 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 3g8b h GLU 58 Cb 1.31 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3g8b h GLU 58 CO 0.40 0.01 0.43 1.49 -0.73 0.00 0.00 179.01 180.60 3g8b h GLU 59 N 0.01 0.80 -0.78 1.92 4.81 -1.98 -0.91 114.58 118.45 3g8b h GLU 59 Ca 0.15 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3g8b h GLU 59 Cb 0.22 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3g8b h GLU 59 CO -0.31 0.53 0.28 1.49 -0.73 0.00 0.00 179.01 180.27 3g8b h GLU 60 N 0.82 1.18 0.02 1.92 4.81 -1.78 0.01 114.58 121.56 3g8b h GLU 60 Ca 0.29 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3g8b h GLU 60 Cb 0.08 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3g8b h GLU 60 CO -0.13 0.97 -0.01 0.28 -0.73 0.00 0.00 179.01 179.39 3g8b h VAL 61 N 1.14 1.10 -0.46 0.32 2.07 -0.87 0.31 116.25 119.85 3g8b h VAL 61 Ca 0.25 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3g8b h VAL 61 Cb 0.25 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3g8b h VAL 61 CO -0.02 0.10 0.24 0.58 0.02 0.00 0.00 177.57 178.49 3g8b h VAL 62 N -0.20 0.98 0.00 2.57 2.07 -0.97 -0.23 116.25 120.47 3g8b h VAL 62 Ca -0.00 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3g8b h VAL 62 Cb 0.19 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3g8b h VAL 62 CO 0.01 0.09 -0.35 0.58 0.02 0.00 0.00 177.57 177.92 3g8b h VAL 63 N 0.47 0.92 -0.00 2.57 2.07 -0.95 0.18 116.25 121.51 3g8b h VAL 63 Ca 0.20 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.92 3g8b h VAL 63 Cb 0.09 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3g8b h VAL 63 CO -0.13 0.31 -0.02 0.29 0.02 0.00 0.00 177.57 178.04 3g8b n LYS 64 N -4.61 0.60 0.07 1.57 4.76 0.11 -2.16 118.16 118.50 3g8b n LYS 64 Ca -0.12 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3g8b n LYS 64 Cb 0.38 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 3g8b n LYS 64 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3g8b n HIS 65 N -1.15 -1.17 0.34 2.13 8.25 -0.75 -4.55 115.22 118.32 3g8b n HIS 65 Ca 0.16 0.21 -0.16 0.00 -0.26 0.00 0.00 57.72 57.67 3g8b n HIS 65 Cb 0.23 0.43 -0.08 0.00 1.12 0.00 0.00 29.99 31.69 3g8b n HIS 65 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3g8b h PHE 66 N 0.00 -0.81 -0.37 4.41 0.04 -0.98 -1.95 116.94 117.28 3g8b h PHE 66 Ca 0.00 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 3g8b h PHE 66 Cb 0.10 0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 3g8b h PHE 66 CO 0.00 -0.47 -0.01 -0.07 -0.60 0.00 0.00 178.31 177.17 3g8b h LEU 67 N -1.09 0.65 -0.64 1.54 3.38 -0.75 -2.20 115.31 116.20 3g8b h LEU 67 Ca -0.09 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.64 3g8b h LEU 67 Cb 0.71 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 3g8b h LEU 67 CO 0.15 0.81 0.33 -0.78 0.09 0.00 0.00 178.44 179.03 3g8b h ASP 68 N 0.48 0.46 -0.80 -0.43 3.58 -1.52 -1.03 116.42 117.16 3g8b h ASP 68 Ca 0.10 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 3g8b h ASP 68 Cb 0.48 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 3g8b h ASP 68 CO 0.02 0.29 0.38 0.28 -2.88 0.00 0.00 179.24 177.33 3g8b h SER 69 N 0.60 1.05 0.70 2.28 0.02 -1.21 -2.71 113.55 114.28 3g8b h SER 69 Ca 0.30 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3g8b h SER 69 Cb 0.24 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3g8b h SER 69 CO -0.21 0.89 0.00 0.18 -1.14 0.00 0.00 176.83 176.55 3g8b n LEU 70 N -4.31 0.12 0.33 5.07 4.77 -0.45 -2.72 117.00 119.81 3g8b n LEU 70 Ca 0.08 0.52 0.22 0.00 -0.03 0.00 0.00 56.01 56.80 3g8b n LEU 70 Cb 0.14 -0.50 1.14 0.00 -2.33 0.00 0.00 43.42 41.87 3g8b n LEU 70 CO 0.40 -0.22 1.16 0.71 -1.33 0.00 0.00 177.39 178.10 3g8b h THR 71 N 0.00 0.04 -0.77 -5.08 1.35 -1.06 -0.84 112.91 106.55 3g8b h THR 71 Ca 0.00 -0.07 0.19 0.00 -0.55 0.00 0.00 66.41 65.98 3g8b h THR 71 Cb 0.35 1.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.79 3g8b h THR 71 CO 0.00 0.00 0.53 -0.07 -0.25 0.00 0.00 175.52 175.73 3g8b h LEU 72 N 0.00 0.22 0.00 3.87 3.38 -1.72 -0.99 115.31 120.07 3g8b h LEU 72 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g8b h LEU 72 Cb 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3g8b h LEU 72 CO 0.00 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.81 3g8b n LEU 73 N -4.42 0.00 0.15 1.67 4.77 -0.32 -1.45 117.00 117.39 3g8b n LEU 73 Ca 0.16 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.27 3g8b n LEU 73 Cb 0.69 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 42.22 3g8b n LEU 73 CO 0.34 0.00 0.88 0.03 -1.33 0.00 0.00 177.39 177.31 3g8b h ARG 74 N 0.00 0.00 -5.27 3.23 2.47 -1.36 -3.42 114.38 110.03 3g8b h ARG 74 Ca 0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 3g8b h ARG 74 Cb 0.00 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.20 3g8b h ARG 74 CO 0.00 0.00 -0.46 -0.51 0.56 0.00 0.00 179.97 179.56 3g8b s LEU 75 N -4.87 4.19 -1.55 3.04 1.43 -0.53 -5.01 118.68 115.38 3g8b s LEU 75 Ca 0.07 0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 3g8b s LEU 75 Cb 0.10 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3g8b s LEU 75 CO 0.52 0.13 2.64 -0.81 0.23 0.00 0.00 176.35 179.07 3g8b n PRO 76 N 3.73 3.33 -0.14 1.29 -0.04 -1.26 -4.42 135.00 137.48 3g8b n PRO 76 Ca -0.15 -2.37 0.03 0.00 -0.04 0.00 0.00 63.50 60.97 3g8b n PRO 76 Cb 0.52 -3.01 0.05 0.00 -0.04 0.00 0.00 33.50 31.01 3g8b n PRO 76 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g8b n LEU 77 N 4.69 1.31 -1.95 1.53 4.77 -1.26 -4.84 117.00 121.24 3g8b n LEU 77 Ca 0.67 -1.79 -0.11 0.00 -0.03 0.00 0.00 56.01 54.75 3g8b n LEU 77 Cb 0.30 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3g8b n LEU 77 CO 0.88 0.43 0.15 0.79 -1.33 0.00 0.00 177.39 178.30 3g8b n TRP 78 N -0.62 1.70 -3.65 -1.77 7.02 -1.26 -5.03 117.44 113.83 3g8b n TRP 78 Ca 0.05 -1.94 -0.36 0.00 -1.02 0.00 0.00 57.50 54.24 3g8b n TRP 78 Cb 0.53 -0.28 -0.08 0.00 -2.42 0.00 0.00 31.31 29.06 3g8b n TRP 78 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3g8b s GLN 79 N -3.30 4.18 0.09 -0.99 -0.21 -1.26 -4.93 119.66 113.24 3g8b s GLN 79 Ca 0.41 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.67 3g8b s GLN 79 Cb 0.38 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.94 3g8b s GLN 79 CO -0.02 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.78 3g8b n GLY 80 N 3.67 -3.20 2.19 3.09 0.00 -1.26 -4.59 105.19 105.09 3g8b n GLY 80 Ca -0.14 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 3g8b n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3g8b n PRO 81 N -0.23 2.99 -2.39 1.61 -0.05 -1.26 -3.96 135.00 131.71 3g8b n PRO 81 Ca 0.00 -1.74 -0.39 0.00 -0.05 0.00 0.00 63.50 61.32 3g8b n PRO 81 Cb 0.00 -2.44 -0.03 0.00 -0.05 0.00 0.00 33.50 30.97 3g8b n PRO 81 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3g8b s LEU 82 N -0.03 4.40 -0.30 1.53 1.43 -1.26 -4.48 118.68 119.97 3g8b s LEU 82 Ca 0.68 2.32 -0.28 0.00 -1.03 0.00 0.00 54.13 55.82 3g8b s LEU 82 Cb 0.24 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.69 3g8b s LEU 82 CO -0.04 -0.37 1.02 -0.13 0.23 0.00 0.00 176.35 177.07 3g8b s ARG 83 N -1.83 4.09 -0.05 1.70 0.52 -1.26 -0.29 118.95 121.84 3g8b s ARG 83 Ca 0.50 1.06 0.06 0.00 -0.52 0.00 0.00 55.73 56.83 3g8b s ARG 83 Cb -0.32 -3.71 -0.01 0.00 0.52 0.00 0.00 34.95 31.43 3g8b s ARG 83 CO 0.41 -0.81 -0.25 0.08 0.02 0.00 0.00 175.30 174.75 3g8b s VAL 84 N 3.45 2.01 -0.19 3.52 1.01 0.55 -1.45 120.40 129.31 3g8b s VAL 84 Ca 0.43 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3g8b s VAL 84 Cb -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3g8b s VAL 84 CO 0.13 0.56 -0.03 -0.22 0.00 0.00 0.00 175.10 175.54 3g8b s LEU 85 N -0.24 3.14 -0.45 3.92 2.96 -0.21 -0.55 118.68 127.24 3g8b s LEU 85 Ca -0.01 -0.23 -0.14 0.00 -0.22 0.00 0.00 54.13 53.53 3g8b s LEU 85 Cb -0.13 -1.78 0.07 0.00 0.50 0.00 0.00 46.19 44.85 3g8b s LEU 85 CO 0.03 0.08 0.35 -0.62 -1.32 0.00 0.00 176.35 174.87 3g8b s ASP 86 N 0.88 6.01 -0.18 3.68 -1.08 0.01 -0.19 116.67 125.81 3g8b s ASP 86 Ca -0.00 -1.33 -0.20 0.00 -0.52 0.00 0.00 52.55 50.50 3g8b s ASP 86 Cb -0.14 -2.13 -0.03 0.00 -1.46 0.00 0.00 42.92 39.15 3g8b s ASP 86 CO 0.02 -0.60 0.59 -0.22 0.52 0.00 0.00 175.17 175.47 3g8b s LEU 87 N 1.59 4.17 -0.73 -1.34 2.96 -0.33 -0.43 118.68 124.58 3g8b s LEU 87 Ca 0.04 0.82 -0.00 0.00 -0.22 0.00 0.00 54.13 54.76 3g8b s LEU 87 Cb -0.23 -2.83 -0.00 0.00 0.50 0.00 0.00 46.19 43.62 3g8b s LEU 87 CO 0.06 -0.20 0.61 0.61 -1.32 0.00 0.00 176.35 176.10 3g8b n GLY 88 N 3.70 -0.05 0.28 7.98 0.00 0.74 -4.53 105.19 113.32 3g8b n GLY 88 Ca -0.03 -0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.04 3g8b n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8b h THR 89 N -1.15 0.14 0.00 2.61 1.03 -1.14 -3.45 112.91 110.95 3g8b h THR 89 Ca -0.36 -0.46 0.00 0.00 -0.01 0.00 0.00 66.41 65.59 3g8b h THR 89 Cb 1.21 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 69.68 3g8b h THR 89 CO 0.30 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.46 3g8b n GLY 90 N -0.31 4.01 0.29 2.99 0.00 -1.26 -1.06 105.19 109.84 3g8b n GLY 90 Ca -0.01 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3g8b n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8b n ALA 91 N 12.50 2.56 0.00 4.61 0.00 -1.26 -4.54 120.51 134.38 3g8b n ALA 91 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3g8b n ALA 91 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3g8b n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g8b n GLY 92 N 0.96 1.34 3.06 0.00 0.00 -0.22 -4.67 105.19 105.66 3g8b n GLY 92 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3g8b n GLY 92 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g8b s PHE 93 N -2.00 1.31 -2.10 1.61 0.08 -0.47 -0.66 117.98 115.76 3g8b s PHE 93 Ca 0.00 -0.37 0.14 0.00 0.12 0.00 0.00 56.93 56.82 3g8b s PHE 93 Cb 0.00 -0.91 0.48 0.00 -0.57 0.00 0.00 43.02 42.02 3g8b s PHE 93 CO 0.00 -0.15 1.37 -0.35 -0.10 0.00 0.00 175.22 175.99 3g8b n PRO 94 N 3.31 1.73 -0.12 0.24 -0.04 -1.26 -4.60 135.00 134.26 3g8b n PRO 94 Ca -0.19 -1.12 -0.06 0.00 -0.04 0.00 0.00 63.50 62.10 3g8b n PRO 94 Cb 0.53 -1.31 0.02 0.00 -0.04 0.00 0.00 33.50 32.71 3g8b n PRO 94 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3g8b h GLY 95 N 5.18 0.50 0.77 0.55 0.00 -1.89 -2.71 103.07 105.47 3g8b h GLY 95 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 3g8b h GLY 95 CO 0.00 0.03 -0.05 1.41 0.00 0.00 0.00 176.54 177.93 3g8b h LEU 96 N 0.30 0.33 -1.02 3.11 3.38 -1.26 -0.61 115.31 119.54 3g8b h LEU 96 Ca 0.18 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3g8b h LEU 96 Cb 0.16 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3g8b h LEU 96 CO -0.18 0.64 0.66 -0.65 0.09 0.00 0.00 178.44 179.00 3g8b h PRO 97 N 0.02 1.29 -0.31 1.13 0.11 -1.75 -1.16 132.00 131.33 3g8b h PRO 97 Ca 0.04 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3g8b h PRO 97 Cb 0.50 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3g8b h PRO 97 CO 0.02 0.85 0.18 1.25 -0.21 0.00 0.00 178.00 180.09 3g8b h LEU 98 N 1.33 0.29 -0.76 2.35 5.85 -1.22 -2.62 115.31 120.52 3g8b h LEU 98 Ca 0.38 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 3g8b h LEU 98 Cb -0.10 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3g8b h LEU 98 CO -0.10 0.21 0.16 0.50 -0.34 0.00 0.00 178.44 178.87 3g8b h LYS 99 N 0.37 1.09 -0.98 1.25 1.63 -0.77 0.12 116.57 119.28 3g8b h LYS 99 Ca 0.12 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 3g8b h LYS 99 Cb 0.01 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.44 3g8b h LYS 99 CO -0.06 0.97 0.65 0.82 -3.45 0.00 0.00 179.45 178.37 3g8b h ILE 100 N 1.03 1.25 0.00 2.00 2.04 -0.98 -2.77 117.51 120.09 3g8b h ILE 100 Ca 0.21 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3g8b h ILE 100 Cb 0.37 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3g8b h ILE 100 CO 0.00 0.25 -1.25 0.52 0.00 0.00 0.00 178.15 177.67 3g8b n VAL 101 N -4.40 0.50 -3.77 1.67 0.31 -1.01 -4.43 118.33 107.21 3g8b n VAL 101 Ca 0.11 -0.54 -0.28 0.00 -0.01 0.00 0.00 64.34 63.62 3g8b n VAL 101 Cb 0.01 -0.27 -0.11 0.00 -0.91 0.00 0.00 33.84 32.56 3g8b n VAL 101 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3g8b n ARG 102 N -2.59 1.69 0.29 5.55 5.12 0.39 -4.97 116.66 122.15 3g8b n ARG 102 Ca -0.01 -4.32 0.17 0.00 -1.93 0.00 0.00 57.85 51.75 3g8b n ARG 102 Cb 0.57 -2.19 0.88 0.00 -1.16 0.00 0.00 32.46 30.56 3g8b n ARG 102 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3g8b h PRO 103 N 5.24 0.00 0.00 5.56 0.11 -1.71 -2.79 132.00 138.41 3g8b h PRO 103 Ca 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3g8b h PRO 103 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3g8b h PRO 103 CO 0.68 0.05 -0.13 0.93 -0.21 0.00 0.00 178.00 179.32 3g8b h GLU 104 N 0.00 0.00 -6.74 1.05 5.08 -1.86 -3.46 114.58 108.65 3g8b h GLU 104 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3g8b h GLU 104 Cb 0.26 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.58 3g8b h GLU 104 CO 0.01 0.13 0.87 -0.51 -1.00 0.00 0.00 179.01 178.51 3g8b s LEU 105 N -6.44 4.36 -0.69 1.33 1.43 -1.05 -4.06 118.68 113.56 3g8b s LEU 105 Ca 0.02 2.82 -0.22 0.00 -1.03 0.00 0.00 54.13 55.73 3g8b s LEU 105 Cb 0.08 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.76 3g8b s LEU 105 CO 0.62 -0.85 0.97 -0.70 0.23 0.00 0.00 176.35 176.61 3g8b s GLU 106 N -0.04 3.17 -0.17 1.70 2.12 0.61 -4.69 118.70 121.40 3g8b s GLU 106 Ca 0.65 -1.01 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 3g8b s GLU 106 Cb -0.46 -4.34 -0.04 0.00 0.26 0.00 0.00 34.13 29.56 3g8b s GLU 106 CO 0.42 -1.79 0.04 -1.17 -0.54 0.00 0.00 175.26 172.22 3g8b s LEU 107 N 3.75 3.68 -0.22 2.70 2.96 -0.18 -0.33 118.68 131.04 3g8b s LEU 107 Ca 0.23 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 3g8b s LEU 107 Cb -0.16 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3g8b s LEU 107 CO 0.07 0.17 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.49 3g8b s VAL 108 N 0.36 2.77 -0.37 1.68 1.01 0.28 -1.02 120.40 125.11 3g8b s VAL 108 Ca 0.01 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3g8b s VAL 108 Cb -0.13 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3g8b s VAL 108 CO 0.01 0.35 0.22 -0.76 0.00 0.00 0.00 175.10 174.92 3g8b s LEU 109 N 1.35 4.69 -0.11 3.92 1.02 0.26 -0.81 118.68 129.01 3g8b s LEU 109 Ca 0.03 -0.84 -0.05 0.00 0.02 0.00 0.00 54.13 53.30 3g8b s LEU 109 Cb -0.15 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 3g8b s LEU 109 CO -0.07 -0.35 0.07 -0.69 0.02 0.00 0.00 176.35 175.33 3g8b s VAL 110 N 1.61 4.88 -0.08 -1.59 1.01 0.43 -0.72 120.40 125.93 3g8b s VAL 110 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 3g8b s VAL 110 Cb -0.19 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.13 3g8b s VAL 110 CO 0.08 0.60 0.42 -0.62 0.00 0.00 0.00 175.10 175.58 3g8b s ASP 111 N -0.87 -0.37 0.01 3.32 -1.08 -1.01 -0.18 116.67 116.49 3g8b s ASP 111 Ca 0.13 0.52 0.27 0.00 -0.52 0.00 0.00 52.55 52.95 3g8b s ASP 111 Cb -0.12 0.60 1.14 0.00 -1.46 0.00 0.00 42.92 43.08 3g8b s ASP 111 CO 0.03 -0.34 1.86 0.00 0.52 0.00 0.00 175.17 177.24 3g8b n ALA 112 N 1.92 2.24 -2.53 3.66 0.00 -1.10 -1.88 120.51 122.82 3g8b n ALA 112 Ca -0.18 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 3g8b n ALA 112 Cb 0.57 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 3g8b n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3g8b s THR 113 N -3.01 5.25 0.34 0.00 2.01 -1.26 -4.75 115.64 114.22 3g8b s THR 113 Ca 0.13 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.85 3g8b s THR 113 Cb 0.17 -3.75 0.29 0.00 0.01 0.00 0.00 72.50 69.22 3g8b s THR 113 CO 0.50 -0.07 1.95 -0.09 -0.69 0.00 0.00 174.62 176.22 3g8b h ARG 114 N 8.51 0.82 -0.39 4.92 2.43 -2.00 -1.98 114.38 126.69 3g8b h ARG 114 Ca -0.30 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 3g8b h ARG 114 Cb 1.15 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 3g8b h ARG 114 CO 0.65 0.54 -0.15 -0.22 -1.51 0.00 0.00 179.97 179.29 3g8b h LYS 115 N 0.85 0.73 -0.22 0.20 3.64 -1.97 -1.01 116.57 118.78 3g8b h LYS 115 Ca 0.33 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3g8b h LYS 115 Cb 0.20 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3g8b h LYS 115 CO -0.11 0.84 0.11 0.87 -2.27 0.00 0.00 179.45 178.89 3g8b h LYS 116 N 0.65 0.32 -0.77 1.90 1.79 -1.67 -2.56 116.57 116.24 3g8b h LYS 116 Ca 0.11 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.58 3g8b h LYS 116 Cb 0.62 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.16 3g8b h LYS 116 CO 0.04 0.34 0.47 0.28 -1.08 0.00 0.00 179.45 179.50 3g8b h VAL 117 N 0.23 1.03 -0.64 0.50 2.07 -1.11 -1.87 116.25 116.45 3g8b h VAL 117 Ca 0.08 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3g8b h VAL 117 Cb 0.12 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 3g8b h VAL 117 CO -0.01 0.16 0.42 0.00 0.02 0.00 0.00 177.57 178.16 3g8b h ALA 118 N 1.37 0.82 -0.19 1.67 0.00 -1.02 -1.07 119.26 120.84 3g8b h ALA 118 Ca 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3g8b h ALA 118 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3g8b h ALA 118 CO -0.16 0.21 0.05 0.35 0.00 0.00 0.00 179.25 179.70 3g8b h PHE 119 N 0.84 0.32 -0.99 0.00 3.57 -1.02 -2.05 116.94 117.61 3g8b h PHE 119 Ca 0.24 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.73 3g8b h PHE 119 Cb -0.06 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 3g8b h PHE 119 CO -0.04 0.42 0.65 0.28 -2.23 0.00 0.00 178.31 177.39 3g8b h VAL 120 N 0.12 1.22 -0.77 1.41 2.07 -1.13 0.12 116.25 119.30 3g8b h VAL 120 Ca 0.06 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 3g8b h VAL 120 Cb 0.26 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 3g8b h VAL 120 CO -0.00 0.24 0.26 -0.08 0.02 0.00 0.00 177.57 178.00 3g8b h GLU 121 N 1.30 1.18 -0.09 1.57 4.57 -1.04 0.13 114.58 122.20 3g8b h GLU 121 Ca 0.38 -0.24 -0.14 0.00 -1.18 0.00 0.00 59.36 58.17 3g8b h GLU 121 Cb -0.09 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.32 3g8b h GLU 121 CO -0.10 0.99 -0.55 0.07 -1.18 0.00 0.00 179.01 178.23 3g8b h ARG 122 N 1.13 0.27 -0.31 1.92 0.11 -0.70 -1.65 114.38 115.15 3g8b h ARG 122 Ca 0.25 -0.17 -0.03 0.00 0.10 0.00 0.00 59.98 60.13 3g8b h ARG 122 Cb 0.29 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 3g8b h ARG 122 CO -0.01 0.75 0.09 0.00 0.10 0.00 0.00 179.97 180.90 3g8b h ALA 123 N 1.21 0.41 -0.43 0.08 0.00 -0.29 0.17 119.26 120.42 3g8b h ALA 123 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3g8b h ALA 123 Cb 1.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3g8b h ALA 123 CO 0.09 0.06 0.20 0.82 0.00 0.00 0.00 179.25 180.42 3g8b h ILE 124 N 0.34 0.95 0.16 0.00 2.04 -0.88 0.01 117.51 120.14 3g8b h ILE 124 Ca 0.10 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3g8b h ILE 124 Cb 0.27 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3g8b h ILE 124 CO -0.00 0.08 -0.13 -0.08 0.00 0.00 0.00 178.15 178.01 3g8b h GLU 125 N 0.41 -0.30 -0.53 2.37 4.57 -1.01 -1.67 114.58 118.43 3g8b h GLU 125 Ca 0.19 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.35 3g8b h GLU 125 Cb 0.11 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3g8b h GLU 125 CO -0.14 -0.20 0.17 0.28 -1.18 0.00 0.00 179.01 177.94 3g8b h VAL 126 N -0.31 1.23 0.00 0.32 2.07 -0.43 -2.11 116.25 117.02 3g8b h VAL 126 Ca -0.00 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3g8b h VAL 126 Cb 0.28 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3g8b h VAL 126 CO -0.02 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.04 3g8b n LEU 127 N -4.47 0.00 -2.54 2.57 4.77 -0.03 -4.88 117.00 112.41 3g8b n LEU 127 Ca 0.02 0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 56.00 3g8b n LEU 127 Cb 0.19 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3g8b n LEU 127 CO 0.39 -0.03 -0.16 0.61 -1.33 0.00 0.00 177.39 176.87 3g8b n GLY 128 N 0.85 -0.48 3.74 -0.72 0.00 -0.71 -4.95 105.19 102.92 3g8b n GLY 128 Ca 0.14 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3g8b n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g8b s LEU 129 N -6.08 4.45 -0.08 0.99 1.43 -0.71 -5.04 118.68 113.64 3g8b s LEU 129 Ca 0.11 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.50 3g8b s LEU 129 Cb -0.05 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 3g8b s LEU 129 CO 0.13 -0.37 -0.14 -0.54 0.23 0.00 0.00 176.35 175.66 3g8b s LYS 130 N -0.41 2.89 0.00 1.70 -0.14 -1.26 -4.57 119.74 117.95 3g8b s LYS 130 Ca 0.52 -0.70 0.00 0.00 -1.36 0.00 0.00 55.97 54.44 3g8b s LYS 130 Cb -0.33 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 3g8b s LYS 130 CO 0.38 0.44 0.00 0.41 -0.76 0.00 0.00 175.35 175.82 3g8b n GLY 131 N 2.86 0.67 3.08 -3.33 0.00 -1.26 -4.96 105.19 102.24 3g8b n GLY 131 Ca -0.18 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 3g8b n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g8b s ALA 132 N -2.00 0.91 -0.06 4.61 0.00 -1.26 -1.01 121.76 122.95 3g8b s ALA 132 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 3g8b s ALA 132 Cb 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.99 3g8b s ALA 132 CO 0.00 0.18 0.41 -0.98 0.00 0.00 0.00 175.76 175.37 3g8b s ARG 133 N -0.71 0.71 0.12 0.00 1.70 -0.19 -4.97 118.95 115.61 3g8b s ARG 133 Ca 0.01 0.08 -0.08 0.00 -0.47 0.00 0.00 55.73 55.27 3g8b s ARG 133 Cb -0.06 0.33 -0.06 0.00 -0.57 0.00 0.00 34.95 34.59 3g8b s ARG 133 CO 0.00 -0.18 0.42 0.00 -1.08 0.00 0.00 175.30 174.46 3g8b s ALA 134 N -0.94 3.72 -0.05 7.88 0.00 -1.26 -0.58 121.76 130.53 3g8b s ALA 134 Ca -0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 3g8b s ALA 134 Cb -0.04 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.86 3g8b s ALA 134 CO 0.05 0.59 0.03 -1.17 0.00 0.00 0.00 175.76 175.26 3g8b s LEU 135 N -2.26 0.37 -0.35 0.00 2.96 0.10 -4.87 118.68 114.62 3g8b s LEU 135 Ca 0.38 0.01 -0.27 0.00 -0.22 0.00 0.00 54.13 54.02 3g8b s LEU 135 Cb -0.13 -0.26 0.02 0.00 0.50 0.00 0.00 46.19 46.32 3g8b s LEU 135 CO 0.20 -0.22 1.00 0.86 -1.32 0.00 0.00 176.35 176.88 3g8b s TRP 136 N 2.02 3.10 -0.08 5.38 -0.00 -1.26 -2.42 118.94 125.68 3g8b s TRP 136 Ca 0.04 0.96 -0.32 0.00 -0.00 0.00 0.00 56.10 56.78 3g8b s TRP 136 Cb -0.12 -3.71 0.13 0.00 -0.00 0.00 0.00 33.47 29.77 3g8b s TRP 136 CO -0.04 -0.82 1.28 0.20 -0.00 0.00 0.00 176.95 177.57 3g8b s GLY 137 N 1.81 -0.38 -0.20 5.86 0.00 -0.78 -4.97 107.32 108.66 3g8b s GLY 137 Ca 0.42 0.99 -0.07 0.00 0.00 0.00 0.00 44.72 46.05 3g8b s GLY 137 CO 0.18 0.25 0.07 -1.60 0.00 0.00 0.00 173.10 172.00 3g8b s ARG 138 N -2.38 3.90 0.21 2.90 6.06 -1.26 -2.70 118.95 125.68 3g8b s ARG 138 Ca 0.13 -0.37 -0.12 0.00 -2.50 0.00 0.00 55.73 52.87 3g8b s ARG 138 Cb 0.03 -3.25 0.27 0.00 0.06 0.00 0.00 34.95 32.06 3g8b s ARG 138 CO -0.04 0.16 1.65 0.00 -2.50 0.00 0.00 175.30 174.56 3g8b h ALA 139 N 7.09 0.52 0.00 6.12 0.00 -1.97 0.23 119.26 131.25 3g8b h ALA 139 Ca -0.37 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3g8b h ALA 139 Cb 1.17 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3g8b h ALA 139 CO 0.67 -0.41 -0.18 0.93 0.00 0.00 0.00 179.25 180.25 3g8b h GLU 140 N 0.07 0.00 0.02 0.00 3.07 -1.91 -1.72 114.58 114.11 3g8b h GLU 140 Ca 0.31 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.07 3g8b h GLU 140 Cb 0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3g8b h GLU 140 CO -0.57 0.18 -0.50 0.28 -1.40 0.00 0.00 179.01 177.01 3g8b h VAL 141 N 0.00 1.48 -0.96 3.13 2.07 -1.34 -3.36 116.25 117.28 3g8b h VAL 141 Ca -0.00 -2.32 0.09 0.00 0.82 0.00 0.00 66.70 65.29 3g8b h VAL 141 Cb 0.32 3.02 -0.07 0.00 -1.52 0.00 0.00 31.29 33.04 3g8b h VAL 141 CO 0.02 0.54 0.61 -0.07 0.02 0.00 0.00 177.57 178.70 3g8b h LEU 142 N -0.91 0.92 0.00 2.57 3.38 -0.56 -0.95 115.31 119.77 3g8b h LEU 142 Ca -0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3g8b h LEU 142 Cb 1.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3g8b h LEU 142 CO -0.04 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.04 3g8b n ALA 143 N -2.38 1.92 0.78 1.53 0.00 -0.66 -1.01 120.51 120.70 3g8b n ALA 143 Ca 0.16 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.61 3g8b n ALA 143 Cb 0.26 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.52 3g8b n ALA 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g8b n ARG 144 N -1.14 1.58 -3.54 0.00 5.12 -0.36 -4.38 116.66 113.94 3g8b n ARG 144 Ca 0.09 -1.28 -0.37 0.00 -1.93 0.00 0.00 57.85 54.35 3g8b n ARG 144 Cb 0.08 -1.34 -0.06 0.00 -1.16 0.00 0.00 32.46 29.98 3g8b n ARG 144 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3g8b s GLU 145 N -1.76 4.01 0.38 5.56 2.02 -0.18 -4.95 118.70 123.78 3g8b s GLU 145 Ca 0.19 0.24 0.16 0.00 0.02 0.00 0.00 54.97 55.58 3g8b s GLU 145 Cb 0.15 -3.31 1.05 0.00 0.10 0.00 0.00 34.13 32.12 3g8b s GLU 145 CO 0.32 0.50 1.76 0.00 0.02 0.00 0.00 175.26 177.86 3g8b h ALA 146 N 5.60 2.13 0.00 5.21 0.00 -1.93 0.17 119.26 130.44 3g8b h ALA 146 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3g8b h ALA 146 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3g8b h ALA 146 CO 0.67 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.78 3g8b n GLY 147 N -1.44 -1.37 0.00 0.00 0.00 -1.26 -4.11 105.19 97.02 3g8b n GLY 147 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3g8b n GLY 147 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g8b n HIS 148 N -1.74 0.00 -1.66 1.61 8.25 -0.18 -4.82 115.22 116.69 3g8b n HIS 148 Ca 0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.08 3g8b n HIS 148 Cb 0.29 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 3g8b n HIS 148 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3g8b n ARG 149 N -1.73 2.67 -4.16 -0.41 0.63 -0.13 -2.11 116.66 111.42 3g8b n ARG 149 Ca 0.00 0.96 -0.34 0.00 -0.92 0.00 0.00 57.85 57.56 3g8b n ARG 149 Cb 0.38 -2.97 -0.03 0.00 0.45 0.00 0.00 32.46 30.30 3g8b n ARG 149 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3g8b n GLU 150 N 7.51 -3.19 -0.06 -0.14 1.02 0.14 -4.83 120.64 121.10 3g8b n GLU 150 Ca 0.22 0.38 0.04 0.00 -0.02 0.00 0.00 57.16 57.77 3g8b n GLU 150 Cb 0.39 -4.93 0.07 0.00 -0.02 0.00 0.00 31.44 26.95 3g8b n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g8b n ALA 151 N -4.41 2.33 -2.45 0.62 0.00 -0.69 -3.52 120.51 112.40 3g8b n ALA 151 Ca -0.02 -0.80 -0.29 0.00 0.00 0.00 0.00 53.44 52.32 3g8b n ALA 151 Cb 0.54 -0.29 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 3g8b n ALA 151 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3g8b s TYR 152 N -0.82 2.46 -0.00 0.00 2.02 -0.38 -4.87 117.35 115.75 3g8b s TYR 152 Ca 0.13 -0.31 0.11 0.00 -0.37 0.00 0.00 57.07 56.64 3g8b s TYR 152 Cb 0.08 -1.32 -0.21 0.00 -0.40 0.00 0.00 41.96 40.11 3g8b s TYR 152 CO 0.11 0.36 0.89 0.00 -1.57 0.00 0.00 175.55 175.34 3g8b h ALA 153 N 3.83 0.64 -2.98 3.71 0.00 -1.55 0.05 119.26 122.96 3g8b h ALA 153 Ca -0.50 -1.22 -0.20 0.00 0.00 0.00 0.00 54.91 52.99 3g8b h ALA 153 Cb 1.17 0.26 -0.21 0.00 0.00 0.00 0.00 17.79 19.01 3g8b h ALA 153 CO 0.44 1.41 -0.71 1.03 0.00 0.00 0.00 179.25 181.41 3g8b s ARG 154 N -2.67 0.40 -0.03 0.00 1.81 -0.73 -1.57 118.95 116.17 3g8b s ARG 154 Ca -0.03 -0.70 -0.03 0.00 -1.72 0.00 0.00 55.73 53.26 3g8b s ARG 154 Cb 0.09 -0.01 0.01 0.00 -0.45 0.00 0.00 34.95 34.59 3g8b s ARG 154 CO 0.82 -0.02 0.09 0.00 -0.68 0.00 0.00 175.30 175.50 3g8b s ALA 155 N -1.60 -0.22 0.13 2.13 0.00 -1.03 -1.05 121.76 120.12 3g8b s ALA 155 Ca -0.13 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.08 3g8b s ALA 155 Cb -0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3g8b s ALA 155 CO -0.01 -0.05 -0.09 0.14 0.00 0.00 0.00 175.76 175.75 3g8b s VAL 156 N -0.06 0.98 -0.28 0.00 -7.23 0.73 -0.36 120.40 114.18 3g8b s VAL 156 Ca -0.01 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 3g8b s VAL 156 Cb -0.01 -1.76 0.09 0.00 0.56 0.00 0.00 36.38 35.26 3g8b s VAL 156 CO 0.00 -0.78 0.80 0.00 -0.31 0.00 0.00 175.10 174.81 3g8b s ALA 157 N -3.38 -1.93 -0.04 1.32 0.00 -1.03 -1.19 121.76 115.51 3g8b s ALA 157 Ca 0.14 2.19 0.04 0.00 0.00 0.00 0.00 51.96 54.34 3g8b s ALA 157 Cb 0.03 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 3g8b s ALA 157 CO -0.01 -0.34 -0.17 0.50 0.00 0.00 0.00 175.76 175.73 3g8b s ARG 158 N 1.01 1.74 -1.25 0.00 3.52 -1.26 -1.49 118.95 121.22 3g8b s ARG 158 Ca -0.05 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 54.87 3g8b s ARG 158 Cb -0.05 -1.53 -0.01 0.00 -1.56 0.00 0.00 34.95 31.80 3g8b s ARG 158 CO -0.11 0.25 0.70 0.00 -0.81 0.00 0.00 175.30 175.33 3g8b n ALA 159 N 3.10 -2.22 -0.04 6.12 0.00 -1.26 -4.92 120.51 121.29 3g8b n ALA 159 Ca -0.18 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 3g8b n ALA 159 Cb 0.53 -2.88 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 3g8b n ALA 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g8b n VAL 160 N -4.17 0.43 -3.57 0.00 0.31 -1.26 -5.11 118.33 104.95 3g8b n VAL 160 Ca -0.22 -0.12 -0.06 0.00 -0.01 0.00 0.00 64.34 63.94 3g8b n VAL 160 Cb 0.65 -1.50 -0.02 0.00 -0.91 0.00 0.00 33.84 32.06 3g8b n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g8b s ALA 161 N -2.14 -1.96 0.69 3.52 0.00 -1.26 -5.04 121.76 115.56 3g8b s ALA 161 Ca -0.11 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 3g8b s ALA 161 Cb 0.04 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 3g8b s ALA 161 CO 0.14 -0.69 1.02 -2.30 0.00 0.00 0.00 175.76 173.93 3g8b n PRO 162 N -0.20 0.67 -0.28 0.00 -0.02 -1.26 -4.45 135.00 129.46 3g8b n PRO 162 Ca -0.04 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 3g8b n PRO 162 Cb 0.60 -2.26 0.23 0.00 -0.02 0.00 0.00 33.50 32.04 3g8b n PRO 162 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3g8b h LEU 163 N -0.00 0.32 -0.89 2.45 3.38 -1.97 0.30 115.31 118.90 3g8b h LEU 163 Ca -0.48 0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3g8b h LEU 163 Cb 1.34 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.13 3g8b h LEU 163 CO 0.49 0.09 0.57 0.00 0.09 0.00 0.00 178.44 179.67 3g8b h VAL 165 N 1.09 1.63 -0.56 0.00 2.07 -1.45 -3.34 116.25 115.68 3g8b h VAL 165 Ca 0.36 -1.94 0.02 0.00 0.82 0.00 0.00 66.70 65.97 3g8b h VAL 165 Cb 0.05 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3g8b h VAL 165 CO -0.13 0.51 0.37 0.25 0.02 0.00 0.00 177.57 178.59 3g8b h LEU 166 N -0.73 0.59 -0.67 2.57 5.85 -0.26 -1.99 115.31 120.66 3g8b h LEU 166 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3g8b h LEU 166 Cb 0.88 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3g8b h LEU 166 CO 0.01 0.41 0.42 0.77 -0.34 0.00 0.00 178.44 179.72 3g8b h SER 167 N 0.68 0.79 0.36 1.25 4.64 -1.01 0.33 113.55 120.59 3g8b h SER 167 Ca 0.22 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 3g8b h SER 167 Cb 0.04 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3g8b h SER 167 CO -0.06 0.60 -0.26 -0.08 -0.87 0.00 0.00 176.83 176.16 3g8b h GLU 168 N 0.91 0.00 0.09 4.77 4.81 -1.48 -1.30 114.58 122.37 3g8b h GLU 168 Ca 0.24 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.22 3g8b h GLU 168 Cb -0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3g8b h GLU 168 CO -0.05 0.26 -1.19 -0.07 -0.73 0.00 0.00 179.01 177.23 3g8b h LEU 169 N 0.00 0.28 0.00 1.64 3.38 -1.08 -3.40 115.31 116.13 3g8b h LEU 169 Ca -0.00 -0.31 -0.16 0.00 0.09 0.00 0.00 57.88 57.50 3g8b h LEU 169 Cb 0.51 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3g8b h LEU 169 CO 0.03 1.25 -0.95 -0.07 0.09 0.00 0.00 178.44 178.79 3g8b h LEU 170 N 0.05 0.00 -0.99 1.67 3.38 -0.69 -3.41 115.31 115.32 3g8b h LEU 170 Ca -0.11 -0.47 0.11 0.00 0.09 0.00 0.00 57.88 57.50 3g8b h LEU 170 Cb 1.91 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.58 3g8b h LEU 170 CO 0.18 1.29 0.62 -0.07 0.09 0.00 0.00 178.44 180.54 3g8b h LEU 171 N -1.00 0.93 -1.33 1.67 3.38 -1.46 -1.40 115.31 116.09 3g8b h LEU 171 Ca -0.24 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3g8b h LEU 171 Cb 1.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3g8b h LEU 171 CO -0.15 0.51 0.00 -2.65 0.09 0.00 0.00 178.44 176.25 3g8b n PRO 172 N -4.61 0.15 0.07 1.13 -0.02 -1.26 -1.27 135.00 129.20 3g8b n PRO 172 Ca 0.18 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 3g8b n PRO 172 Cb 0.31 -1.95 0.32 0.00 -0.02 0.00 0.00 33.50 32.16 3g8b n PRO 172 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3g8b n PHE 173 N -2.26 0.66 -3.42 6.00 3.72 -0.53 0.29 117.46 121.92 3g8b n PHE 173 Ca -0.01 0.19 -0.37 0.00 -0.05 0.00 0.00 57.45 57.21 3g8b n PHE 173 Cb 0.06 -0.76 -0.06 0.00 -0.94 0.00 0.00 39.48 37.78 3g8b n PHE 173 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3g8b s LEU 174 N -4.21 4.26 0.60 4.37 1.43 -0.39 -1.25 118.68 123.49 3g8b s LEU 174 Ca 0.09 0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 53.68 3g8b s LEU 174 Cb 0.14 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3g8b s LEU 174 CO 0.65 0.05 1.17 -1.83 0.23 0.00 0.00 176.35 176.62 3g8b s GLU 175 N 0.52 2.97 0.24 1.70 -1.05 0.01 -4.43 118.70 118.65 3g8b s GLU 175 Ca 0.21 1.70 -0.31 0.00 -0.15 0.00 0.00 54.97 56.42 3g8b s GLU 175 Cb -0.14 -1.94 -0.13 0.00 -0.44 0.00 0.00 34.13 31.48 3g8b s GLU 175 CO 0.07 -1.18 1.53 0.28 0.95 0.00 0.00 175.26 176.91 3g8b n VAL 176 N -1.74 0.72 0.00 1.83 0.31 -1.26 -0.81 118.33 117.37 3g8b n VAL 176 Ca 0.13 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3g8b n VAL 176 Cb 0.50 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 3g8b n VAL 176 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g8b n GLY 177 N 2.55 1.49 3.79 2.92 0.00 0.01 -5.04 105.19 110.90 3g8b n GLY 177 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3g8b n GLY 177 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g8b s GLY 178 N -2.27 1.72 -0.12 -0.02 0.00 0.01 -4.80 107.32 101.85 3g8b s GLY 178 Ca 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 44.72 43.34 3g8b s GLY 178 CO 0.00 -0.34 0.42 0.00 0.00 0.00 0.00 173.10 173.18 3g8b s ALA 179 N -3.57 -1.04 0.16 3.20 0.00 -0.61 -0.89 121.76 119.02 3g8b s ALA 179 Ca 0.75 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.78 3g8b s ALA 179 Cb -0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3g8b s ALA 179 CO 0.55 -0.23 -0.04 0.00 0.00 0.00 0.00 175.76 176.03 3g8b s ALA 180 N -0.25 3.09 -0.19 0.00 0.00 0.68 -2.46 121.76 122.63 3g8b s ALA 180 Ca -0.04 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.57 3g8b s ALA 180 Cb -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.21 3g8b s ALA 180 CO 0.02 0.52 -0.11 0.08 0.00 0.00 0.00 175.76 176.27 3g8b s VAL 181 N -1.61 1.61 -0.45 0.00 1.01 0.51 -0.28 120.40 121.19 3g8b s VAL 181 Ca 0.26 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 3g8b s VAL 181 Cb -0.10 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.66 3g8b s VAL 181 CO 0.17 0.21 0.58 0.00 0.00 0.00 0.00 175.10 176.06 3g8b s ALA 182 N 1.42 3.38 -0.06 5.51 0.00 0.49 -2.47 121.76 130.03 3g8b s ALA 182 Ca -0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 3g8b s ALA 182 Cb -0.16 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3g8b s ALA 182 CO -0.09 -1.79 1.20 -1.64 0.00 0.00 0.00 175.76 173.45 3g8b s MET 183 N 2.58 4.35 0.26 0.00 -1.94 -0.56 -1.57 119.30 122.42 3g8b s MET 183 Ca 0.18 1.66 0.03 0.00 -1.71 0.00 0.00 55.69 55.85 3g8b s MET 183 Cb -0.16 -3.57 -0.05 0.00 2.01 0.00 0.00 34.83 33.05 3g8b s MET 183 CO 0.16 -0.46 0.04 0.15 -0.01 0.00 0.00 175.02 174.90 3g8b s LYS 184 N 2.29 1.43 0.00 2.03 -0.14 0.29 -4.35 119.74 121.29 3g8b s LYS 184 Ca 0.56 -1.76 0.00 0.00 -1.36 0.00 0.00 55.97 53.41 3g8b s LYS 184 Cb -0.24 -0.56 0.00 0.00 -1.68 0.00 0.00 37.83 35.34 3g8b s LYS 184 CO 0.21 -0.18 0.00 0.41 -0.76 0.00 0.00 175.35 175.03 3g8b n GLY 185 N -0.50 0.89 0.27 -3.33 0.00 -1.26 -1.65 105.19 99.61 3g8b n GLY 185 Ca -0.03 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.35 3g8b n GLY 185 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3g8b h PRO 186 N 0.00 0.00 -4.88 1.61 0.11 -1.86 -3.15 132.00 123.83 3g8b h PRO 186 Ca 0.00 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.49 3g8b h PRO 186 Cb 0.00 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 30.76 3g8b h PRO 186 CO 0.00 0.07 -0.85 1.03 -0.21 0.00 0.00 178.00 178.04 3g8b s ARG 187 N -4.59 2.53 0.00 1.05 0.52 -1.26 -4.85 118.95 112.36 3g8b s ARG 187 Ca -0.04 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 3g8b s ARG 187 Cb 0.15 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.46 3g8b s ARG 187 CO 0.61 -0.11 0.04 1.33 0.02 0.00 0.00 175.30 177.18 3g8b n VAL 188 N 4.35 0.00 -0.22 3.52 0.24 -1.26 -4.90 118.33 120.06 3g8b n VAL 188 Ca -0.19 -0.14 0.02 0.00 -2.04 0.00 0.00 64.34 61.99 3g8b n VAL 188 Cb 0.51 1.17 0.14 0.00 -1.47 0.00 0.00 33.84 34.19 3g8b n VAL 188 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3g8b h GLU 189 N 0.00 0.39 0.06 7.34 3.07 -1.98 -0.89 114.58 122.57 3g8b h GLU 189 Ca 0.00 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.36 58.60 3g8b h GLU 189 Cb 0.09 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3g8b h GLU 189 CO 0.00 0.26 -1.11 0.93 -1.40 0.00 0.00 179.01 177.69 3g8b h GLU 190 N 0.40 0.14 0.00 2.33 5.08 -2.01 -2.46 114.58 118.07 3g8b h GLU 190 Ca 0.35 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3g8b h GLU 190 Cb 0.49 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3g8b h GLU 190 CO -0.36 1.11 -0.33 0.93 -1.00 0.00 0.00 179.01 179.36 3g8b h GLU 191 N 0.04 0.00 0.07 2.33 5.08 -1.81 -3.18 114.58 117.11 3g8b h GLU 191 Ca -0.07 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.02 3g8b h GLU 191 Cb 1.86 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 3g8b h GLU 191 CO 0.17 0.33 -1.33 -0.07 -1.00 0.00 0.00 179.01 177.11 3g8b h LEU 192 N 0.00 0.22 -0.59 1.33 3.38 -1.11 -3.39 115.31 115.16 3g8b h LEU 192 Ca -0.00 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.77 3g8b h LEU 192 Cb 0.68 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.25 3g8b h LEU 192 CO 0.04 1.23 -0.45 0.00 0.09 0.00 0.00 178.44 179.35 3g8b h ALA 193 N 0.74 -0.38 -0.44 1.53 0.00 -1.42 -0.73 119.26 118.56 3g8b h ALA 193 Ca -0.15 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3g8b h ALA 193 Cb 1.93 1.00 0.00 0.00 0.00 0.00 0.00 17.79 20.72 3g8b h ALA 193 CO 0.15 -0.85 0.00 -0.35 0.00 0.00 0.00 179.25 178.20 3g8b n PRO 194 N -5.40 2.14 -0.03 0.00 -0.04 -1.26 -4.57 135.00 125.84 3g8b n PRO 194 Ca 0.01 -1.63 -0.14 0.00 -0.04 0.00 0.00 63.50 61.70 3g8b n PRO 194 Cb 0.35 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 3g8b n PRO 194 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3g8b h LEU 195 N 2.59 0.19 -0.71 1.53 5.85 -1.32 -3.37 115.31 120.07 3g8b h LEU 195 Ca 0.00 -0.67 0.14 0.00 0.84 0.00 0.00 57.88 58.19 3g8b h LEU 195 Cb 0.66 -0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.50 3g8b h LEU 195 CO 0.02 0.83 -0.18 -0.65 -0.34 0.00 0.00 178.44 178.13 3g8b h PRO 196 N -0.43 -0.00 -0.79 5.25 0.11 -1.81 0.12 132.00 134.45 3g8b h PRO 196 Ca -0.01 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.16 3g8b h PRO 196 Cb 0.83 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.89 3g8b h PRO 196 CO 0.03 -0.00 0.52 -1.35 -0.21 0.00 0.00 178.00 176.99 3g8b h PRO 197 N -0.00 0.82 -0.34 1.05 0.11 -1.94 -1.39 132.00 130.32 3g8b h PRO 197 Ca 0.34 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.30 3g8b h PRO 197 Cb 0.52 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3g8b h PRO 197 CO -0.73 0.54 -0.18 0.00 -0.21 0.00 0.00 178.00 177.42 3g8b h ALA 198 N 1.57 0.47 -0.53 -0.75 0.00 -1.00 -2.68 119.26 116.34 3g8b h ALA 198 Ca 0.34 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3g8b h ALA 198 Cb 0.24 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3g8b h ALA 198 CO -0.12 0.40 0.17 -0.07 0.00 0.00 0.00 179.25 179.64 3g8b h LEU 199 N 0.49 0.15 -0.87 0.00 3.38 -0.49 -1.95 115.31 116.01 3g8b h LEU 199 Ca 0.07 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3g8b h LEU 199 Cb 0.72 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3g8b h LEU 199 CO 0.05 0.10 0.57 -0.08 0.09 0.00 0.00 178.44 179.18 3g8b h GLU 200 N 0.34 1.09 0.00 1.13 4.81 -1.15 0.70 114.58 121.50 3g8b h GLU 200 Ca 0.26 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3g8b h GLU 200 Cb 0.32 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3g8b h GLU 200 CO -0.29 0.72 -0.07 0.00 -0.73 0.00 0.00 179.01 178.65 3g8b h ARG 201 N 1.12 0.00 -0.02 1.92 3.08 -1.03 -2.01 114.38 117.44 3g8b h ARG 201 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3g8b h ARG 201 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3g8b h ARG 201 CO -0.10 0.07 -0.14 1.28 -1.07 0.00 0.00 179.97 180.00 3g8b n LEU 202 N -3.94 2.04 0.00 3.04 4.77 -0.33 -4.48 117.00 118.10 3g8b n LEU 202 Ca -0.03 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3g8b n LEU 202 Cb 0.15 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3g8b n LEU 202 CO 0.30 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3g8b n GLY 203 N 1.31 0.54 3.92 -0.72 0.00 -0.70 -4.02 105.19 105.51 3g8b n GLY 203 Ca 0.14 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 3g8b n GLY 203 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g8b s GLY 204 N -2.55 2.11 -0.19 -0.02 0.00 0.23 -0.79 107.32 106.12 3g8b s GLY 204 Ca 0.00 -1.77 -0.26 0.00 0.00 0.00 0.00 44.72 42.68 3g8b s GLY 204 CO 0.00 -1.73 0.69 -1.60 0.00 0.00 0.00 173.10 170.46 3g8b s ARG 205 N -4.26 0.89 -0.15 2.90 3.52 -0.38 -3.39 118.95 118.09 3g8b s ARG 205 Ca 0.48 0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 56.50 3g8b s ARG 205 Cb -0.04 0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 3g8b s ARG 205 CO 0.28 -0.18 1.30 -1.17 -0.81 0.00 0.00 175.30 174.73 3g8b s LEU 206 N -0.17 4.20 0.00 -0.88 2.96 -1.26 -0.22 118.68 123.30 3g8b s LEU 206 Ca -0.04 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 3g8b s LEU 206 Cb -0.03 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.12 3g8b s LEU 206 CO 0.04 -0.77 0.00 0.61 -1.32 0.00 0.00 176.35 174.91 3g8b n GLY 207 N 3.66 1.40 3.76 7.98 0.00 0.19 -4.86 105.19 117.32 3g8b n GLY 207 Ca 0.14 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 3g8b n GLY 207 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g8b n GLU 208 N 0.00 2.40 -3.75 1.61 1.02 -1.26 -4.68 120.64 115.98 3g8b n GLU 208 Ca 0.00 0.85 -0.35 0.00 -0.02 0.00 0.00 57.16 57.64 3g8b n GLU 208 Cb 0.00 -2.62 -0.10 0.00 -0.02 0.00 0.00 31.44 28.70 3g8b n GLU 208 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3g8b s VAL 209 N -1.16 3.60 -0.50 2.62 1.01 -1.26 -1.07 120.40 123.64 3g8b s VAL 209 Ca 0.58 -3.35 -0.27 0.00 0.00 0.00 0.00 61.98 58.94 3g8b s VAL 209 Cb -0.47 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.61 3g8b s VAL 209 CO 0.60 -0.92 1.07 -0.22 0.00 0.00 0.00 175.10 175.63 3g8b s LEU 210 N -0.52 3.75 -0.06 3.92 2.96 -0.41 -4.86 118.68 123.47 3g8b s LEU 210 Ca 0.20 0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 54.13 3g8b s LEU 210 Cb -0.17 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 3g8b s LEU 210 CO -0.06 -1.24 0.54 0.00 -1.32 0.00 0.00 176.35 174.27 3g8b s ALA 211 N 4.30 3.49 0.21 5.97 0.00 -1.26 -0.83 121.76 133.65 3g8b s ALA 211 Ca 0.42 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.16 3g8b s ALA 211 Cb -0.09 -2.69 0.01 0.00 0.00 0.00 0.00 23.12 20.36 3g8b s ALA 211 CO 0.28 0.11 0.47 -0.48 0.00 0.00 0.00 175.76 176.14 3g8b s LEU 212 N 0.14 0.32 -0.12 0.00 2.34 -0.35 -5.00 118.68 116.01 3g8b s LEU 212 Ca 0.29 -0.73 -0.15 0.00 0.06 0.00 0.00 54.13 53.60 3g8b s LEU 212 Cb -0.17 1.85 -0.05 0.00 -0.56 0.00 0.00 46.19 47.27 3g8b s LEU 212 CO 0.14 -1.07 0.35 -1.10 -1.06 0.00 0.00 176.35 173.60 3g8b s GLN 213 N -3.95 4.18 -0.22 1.48 -1.52 -1.26 -0.09 119.66 118.28 3g8b s GLN 213 Ca 0.16 0.22 -0.29 0.00 -1.95 0.00 0.00 55.36 53.50 3g8b s GLN 213 Cb -0.00 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.37 3g8b s GLN 213 CO 0.03 0.32 1.78 -1.17 -0.25 0.00 0.00 175.29 176.00 3g8b s LEU 214 N 0.17 3.79 0.06 2.90 2.96 0.06 -4.90 118.68 123.71 3g8b s LEU 214 Ca 0.20 1.69 -0.12 0.00 -0.22 0.00 0.00 54.13 55.68 3g8b s LEU 214 Cb -0.14 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3g8b s LEU 214 CO 0.07 -1.45 0.70 -2.65 -1.32 0.00 0.00 176.35 171.71 3g8b n PRO 215 N 7.99 -0.17 -1.61 0.98 -0.02 -1.26 -2.21 135.00 138.71 3g8b n PRO 215 Ca 0.21 0.69 -0.28 0.00 -2.02 0.00 0.00 63.50 62.10 3g8b n PRO 215 Cb 0.45 -1.02 0.06 0.00 -0.02 0.00 0.00 33.50 32.97 3g8b n PRO 215 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g8b n LEU 216 N -4.13 6.26 0.00 2.45 4.77 -1.26 -4.42 117.00 120.68 3g8b n LEU 216 Ca 0.01 -4.46 0.00 0.00 -0.03 0.00 0.00 56.01 51.53 3g8b n LEU 216 Cb 0.10 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3g8b n LEU 216 CO -0.06 1.74 -0.01 -1.54 -1.33 0.00 0.00 177.39 176.19 3g8b n SER 217 N -0.84 0.14 -2.03 -1.43 3.41 -0.94 -5.03 113.62 106.90 3g8b n SER 217 Ca 0.53 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.99 3g8b n SER 217 Cb 0.84 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.83 3g8b n SER 217 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g8b n GLY 218 N 0.30 -0.14 3.57 5.00 0.00 -1.17 -5.03 105.19 107.73 3g8b n GLY 218 Ca 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3g8b n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g8b s GLU 219 N -5.22 2.50 0.47 1.61 2.02 -1.26 -4.98 118.70 113.85 3g8b s GLU 219 Ca 0.17 -0.75 -0.19 0.00 0.02 0.00 0.00 54.97 54.22 3g8b s GLU 219 Cb -0.08 -2.46 -0.09 0.00 0.10 0.00 0.00 34.13 31.60 3g8b s GLU 219 CO 0.21 0.60 0.98 0.00 0.02 0.00 0.00 175.26 177.07 3g8b s ALA 220 N -0.96 3.00 0.05 5.21 0.00 -1.26 -0.76 121.76 127.03 3g8b s ALA 220 Ca 0.16 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.42 3g8b s ALA 220 Cb -0.11 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3g8b s ALA 220 CO 0.07 -0.10 0.13 1.03 0.00 0.00 0.00 175.76 176.88 3g8b s ARG 221 N -3.51 0.66 -0.04 0.00 1.81 0.88 -2.81 118.95 115.93 3g8b s ARG 221 Ca 0.62 -0.78 0.01 0.00 -1.72 0.00 0.00 55.73 53.86 3g8b s ARG 221 Cb -0.11 0.26 0.02 0.00 -0.45 0.00 0.00 34.95 34.68 3g8b s ARG 221 CO 0.21 -0.18 -0.03 -1.01 -0.68 0.00 0.00 175.30 173.61 3g8b s HIS 222 N -2.87 0.67 -0.38 -0.53 3.76 -0.66 -1.21 115.29 114.06 3g8b s HIS 222 Ca -0.03 -0.17 -0.12 0.00 -0.15 0.00 0.00 55.06 54.59 3g8b s HIS 222 Cb 0.00 -0.62 0.02 0.00 1.11 0.00 0.00 32.58 33.09 3g8b s HIS 222 CO -0.06 -0.19 0.24 -0.51 -0.85 0.00 0.00 174.74 173.38 3g8b s LEU 223 N 0.97 4.81 -0.38 0.89 1.43 -0.01 -0.55 118.68 125.85 3g8b s LEU 223 Ca -0.10 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 51.93 3g8b s LEU 223 Cb -0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3g8b s LEU 223 CO -0.00 -0.39 0.42 -0.69 0.23 0.00 0.00 176.35 175.92 3g8b s VAL 224 N 1.61 5.11 -0.19 -1.59 1.01 -0.61 -1.29 120.40 124.45 3g8b s VAL 224 Ca 0.03 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 3g8b s VAL 224 Cb -0.19 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3g8b s VAL 224 CO 0.08 -0.25 0.61 -0.69 0.00 0.00 0.00 175.10 174.84 3g8b s VAL 225 N 2.14 5.05 -0.36 2.92 1.01 -0.24 -0.38 120.40 130.54 3g8b s VAL 225 Ca 0.13 1.15 -0.07 0.00 0.00 0.00 0.00 61.98 63.19 3g8b s VAL 225 Cb -0.17 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.34 3g8b s VAL 225 CO 0.13 0.14 0.14 -0.76 0.00 0.00 0.00 175.10 174.75 3g8b s LEU 226 N 1.72 4.55 0.19 3.92 1.43 0.62 0.53 118.68 131.63 3g8b s LEU 226 Ca 0.28 -1.25 -0.27 0.00 -1.03 0.00 0.00 54.13 51.86 3g8b s LEU 226 Cb -0.16 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 3g8b s LEU 226 CO 0.11 -0.38 0.83 -1.61 0.23 0.00 0.00 176.35 175.53 3g8b s GLU 227 N 1.40 4.67 -0.56 1.70 2.02 0.69 -0.23 118.70 128.39 3g8b s GLU 227 Ca -0.00 1.27 -0.22 0.00 0.02 0.00 0.00 54.97 56.04 3g8b s GLU 227 Cb -0.20 -3.27 0.06 0.00 0.10 0.00 0.00 34.13 30.81 3g8b s GLU 227 CO 0.02 0.55 0.82 0.21 0.02 0.00 0.00 175.26 176.88 3g8b s LYS 228 N -1.12 3.20 -0.11 1.61 2.47 -0.07 -1.25 119.74 124.48 3g8b s LYS 228 Ca 0.38 -0.64 0.13 0.00 -1.56 0.00 0.00 55.97 54.28 3g8b s LYS 228 Cb -0.24 -4.11 -0.24 0.00 -1.46 0.00 0.00 37.83 31.78 3g8b s LYS 228 CO 0.28 -1.46 0.42 -2.37 0.16 0.00 0.00 175.35 172.38 3g8b n THR 229 N 5.91 1.54 -3.80 3.43 5.66 0.03 -0.81 114.28 126.25 3g8b n THR 229 Ca -0.03 -0.80 -0.09 0.00 -3.05 0.00 0.00 64.05 60.08 3g8b n THR 229 Cb 0.46 -0.90 -0.04 0.00 -1.55 0.00 0.00 70.33 68.30 3g8b n THR 229 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3g8b s ALA 230 N -2.56 -0.73 0.41 1.79 0.00 -0.67 -4.79 121.76 115.20 3g8b s ALA 230 Ca -0.08 -0.38 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 3g8b s ALA 230 Cb 0.07 0.87 -0.10 0.00 0.00 0.00 0.00 23.12 23.96 3g8b s ALA 230 CO 0.82 -0.79 1.37 -2.30 0.00 0.00 0.00 175.76 174.86 3g8b n PRO 231 N -0.32 2.22 -2.46 0.00 -0.02 -1.26 -4.46 135.00 128.68 3g8b n PRO 231 Ca -0.09 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 3g8b n PRO 231 Cb 0.62 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3g8b n PRO 231 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g8b s THR 232 N -1.16 4.20 0.71 3.45 2.01 -1.26 -4.38 115.64 119.21 3g8b s THR 232 Ca 0.58 1.56 -0.16 0.00 0.31 0.00 0.00 61.69 63.98 3g8b s THR 232 Cb -0.50 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.03 3g8b s THR 232 CO 0.60 0.07 1.25 -2.65 -0.69 0.00 0.00 174.62 173.21 3g8b n PRO 233 N 4.42 0.78 0.16 4.92 -0.02 -1.26 -4.86 135.00 139.13 3g8b n PRO 233 Ca 0.09 0.33 0.10 0.00 -2.02 0.00 0.00 63.50 62.00 3g8b n PRO 233 Cb 0.47 -2.49 0.52 0.00 -0.02 0.00 0.00 33.50 31.97 3g8b n PRO 233 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3g8b n PRO 234 N -2.38 0.12 0.28 0.52 -0.02 -1.26 -1.99 135.00 130.28 3g8b n PRO 234 Ca 0.15 0.62 0.17 0.00 -2.02 0.00 0.00 63.50 62.42 3g8b n PRO 234 Cb 0.49 -1.99 0.73 0.00 -0.02 0.00 0.00 33.50 32.71 3g8b n PRO 234 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g8b h ALA 235 N 1.79 1.02 -4.02 3.55 0.00 -1.99 -3.45 119.26 116.16 3g8b h ALA 235 Ca 0.00 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.25 3g8b h ALA 235 Cb 0.16 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.70 3g8b h ALA 235 CO 0.00 0.04 -0.85 0.71 0.00 0.00 0.00 179.25 179.14 3g8b s TYR 236 N -3.75 2.04 0.56 0.00 2.02 -0.84 -3.49 117.35 113.90 3g8b s TYR 236 Ca 0.00 -0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.17 3g8b s TYR 236 Cb 0.10 -1.18 -0.06 0.00 -0.40 0.00 0.00 41.96 40.42 3g8b s TYR 236 CO 0.54 0.17 1.01 -1.25 -1.57 0.00 0.00 175.55 174.45 3g8b s PRO 237 N -1.51 3.77 1.02 -1.71 0.04 -1.26 -4.85 135.00 130.49 3g8b s PRO 237 Ca 0.10 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 3g8b s PRO 237 Cb -0.10 -2.11 0.20 0.00 0.04 0.00 0.00 34.50 32.54 3g8b s PRO 237 CO 0.03 -0.43 1.16 1.03 0.04 0.00 0.00 177.00 178.83 3g8b s ARG 238 N -4.55 0.24 0.68 4.56 0.52 -1.23 -4.97 118.95 114.20 3g8b s ARG 238 Ca 0.57 0.07 -0.17 0.00 -0.52 0.00 0.00 55.73 55.69 3g8b s ARG 238 Cb -0.11 -1.75 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 3g8b s ARG 238 CO 0.41 -2.76 0.50 0.54 0.02 0.00 0.00 175.30 174.01 3g8b n ARG 239 N -4.12 0.36 -1.63 3.54 1.74 -1.26 -4.73 116.66 110.57 3g8b n ARG 239 Ca 0.10 0.16 -0.52 0.00 -0.77 0.00 0.00 57.85 56.82 3g8b n ARG 239 Cb 0.59 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 3g8b n ARG 239 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3g8b n PRO 240 N -0.45 1.39 0.00 5.56 -0.02 -1.26 -1.13 135.00 139.09 3g8b n PRO 240 Ca 0.10 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3g8b n PRO 240 Cb 0.49 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3g8b n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g8b n GLY 241 N 3.06 3.32 0.14 -1.23 0.00 -1.26 -4.90 105.19 104.32 3g8b n GLY 241 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3g8b n GLY 241 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g8b h VAL 242 N 0.00 1.38 -0.76 1.61 2.07 -1.43 -1.71 116.25 117.41 3g8b h VAL 242 Ca 0.00 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 66.07 3g8b h VAL 242 Cb 0.00 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.79 3g8b h VAL 242 CO 0.00 0.45 0.42 -0.65 0.02 0.00 0.00 177.57 177.81 3g8b h PRO 243 N -0.05 0.71 -0.37 1.57 0.11 -1.82 0.74 132.00 132.88 3g8b h PRO 243 Ca 0.00 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 3g8b h PRO 243 Cb 0.84 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3g8b h PRO 243 CO 0.05 0.47 -0.19 1.49 -0.21 0.00 0.00 178.00 179.61 3g8b h GLU 244 N 0.73 0.79 -0.10 1.05 4.81 -1.92 -1.82 114.58 118.12 3g8b h GLU 244 Ca 0.36 -0.35 -0.21 0.00 -0.13 0.00 0.00 59.36 59.03 3g8b h GLU 244 Cb 0.31 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3g8b h GLU 244 CO -0.23 0.98 -0.78 -0.09 -0.73 0.00 0.00 179.01 178.15 3g8b h ARG 245 N 0.59 0.58 -2.06 1.92 2.43 -0.71 -3.38 114.38 113.76 3g8b h ARG 245 Ca 0.08 -0.49 -0.57 0.00 -0.81 0.00 0.00 59.98 58.19 3g8b h ARG 245 Cb 0.74 0.11 -0.40 0.00 -0.42 0.00 0.00 29.97 30.00 3g8b h ARG 245 CO 0.06 1.12 -0.96 0.72 -1.51 0.00 0.00 179.97 179.40 3g8b n HIS 246 N -3.87 0.85 -1.38 2.20 8.25 0.25 -5.07 115.22 116.45 3g8b n HIS 246 Ca -0.06 -3.74 -0.36 0.00 -0.26 0.00 0.00 57.72 53.30 3g8b n HIS 246 Cb 0.74 -0.41 0.08 0.00 1.12 0.00 0.00 29.99 31.52 3g8b n HIS 246 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3g8b n PRO 247 N 1.19 0.54 0.28 -0.41 -0.02 -0.69 -4.63 135.00 131.26 3g8b n PRO 247 Ca 0.24 0.24 0.17 0.00 -2.02 0.00 0.00 63.50 62.13 3g8b n PRO 247 Cb 0.50 -2.22 0.68 0.00 -0.02 0.00 0.00 33.50 32.45 3g8b n PRO 247 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3g8b h LEU 248 N -0.20 0.00 0.00 2.45 3.38 -1.81 -3.50 115.31 115.63 3g8b h LEU 248 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3g8b h LEU 248 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3g8b h LEU 248 CO 0.47 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.00