#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hho h TYR 3 N 0.00 1.13 0.13 -2.53 0.05 -1.97 0.19 116.97 113.96 3hho h TYR 3 Ca 0.00 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 3hho h TYR 3 Cb 0.00 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 37.36 3hho h TYR 3 CO 0.00 0.68 -0.11 0.74 -1.05 0.00 0.00 178.16 178.41 3hho h PHE 4 N 1.19 -0.31 -0.92 4.88 0.04 -1.94 -1.87 116.94 118.01 3hho h PHE 4 Ca 0.36 0.00 0.21 0.00 2.80 0.00 0.00 57.97 61.34 3hho h PHE 4 Cb -0.04 0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.16 3hho h PHE 4 CO -0.00 -0.15 0.61 0.93 -0.60 0.00 0.00 178.31 179.10 3hho h GLU 5 N -0.23 0.35 0.00 1.51 5.08 -1.52 0.33 114.58 120.10 3hho h GLU 5 Ca -0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hho h GLU 5 Cb 0.20 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hho h GLU 5 CO -0.01 0.23 -0.01 1.25 -1.00 0.00 0.00 179.01 179.48 3hho h LEU 6 N 0.37 0.00 -2.34 1.33 5.85 -0.10 0.91 115.31 121.33 3hho h LEU 6 Ca 0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.20 3hho h LEU 6 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3hho h LEU 6 CO -0.17 0.01 0.00 0.49 -0.34 0.00 0.00 178.44 178.42 3hho n PHE 7 N -4.46 0.50 -1.36 1.25 3.72 0.83 -4.95 117.46 112.98 3hho n PHE 7 Ca -0.03 -0.26 -0.13 0.00 -0.05 0.00 0.00 57.45 56.99 3hho n PHE 7 Cb 0.09 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.58 3hho n PHE 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hho n GLY 8 N 1.45 1.24 3.80 1.37 0.00 0.32 -4.97 105.19 108.38 3hho n GLY 8 Ca 0.19 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3hho n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hho s LEU 9 N -2.85 4.32 0.40 0.99 1.43 0.55 -4.84 118.68 118.68 3hho s LEU 9 Ca 0.00 1.66 -0.25 0.00 -1.03 0.00 0.00 54.13 54.51 3hho s LEU 9 Cb 0.00 -3.88 -0.08 0.00 0.03 0.00 0.00 46.19 42.26 3hho s LEU 9 CO 0.00 -0.05 1.12 -2.84 0.23 0.00 0.00 176.35 174.82 3hho s PRO 10 N -2.09 4.08 -0.40 1.29 0.02 -1.26 -3.36 135.00 133.27 3hho s PRO 10 Ca 0.48 1.71 -0.29 0.00 0.02 0.00 0.00 61.00 62.92 3hho s PRO 10 Cb -0.17 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.73 3hho s PRO 10 CO 0.22 -0.26 1.52 0.42 -0.33 0.00 0.00 177.00 178.57 3hho s ILE 11 N -1.51 3.78 0.00 2.83 1.01 -1.26 -4.88 121.20 121.17 3hho s ILE 11 Ca 0.58 0.79 0.00 0.00 0.00 0.00 0.00 60.65 62.01 3hho s ILE 11 Cb -0.27 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3hho s ILE 11 CO 0.34 -0.69 0.00 0.00 0.00 0.00 0.00 174.94 174.59 3hho n GLN 12 N 8.21 0.00 0.01 2.79 10.64 -1.26 -5.07 117.38 132.69 3hho n GLN 12 Ca 0.18 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 55.17 3hho n GLN 12 Cb 0.48 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.75 3hho n GLN 12 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 3hho h PHE 13 N 0.00 0.70 -2.10 2.61 3.57 -1.96 -3.44 116.94 116.32 3hho h PHE 13 Ca 0.00 -0.38 -0.60 0.00 3.53 0.00 0.00 57.97 60.52 3hho h PHE 13 Cb 0.00 -0.08 0.02 0.00 2.79 0.00 0.00 35.95 38.68 3hho h PHE 13 CO 0.00 1.20 1.10 0.39 -2.23 0.00 0.00 178.31 178.78 3hho n GLU 14 N -4.14 2.29 -3.85 1.11 4.71 -1.26 -4.93 120.64 114.57 3hho n GLU 14 Ca -0.10 0.84 -0.14 0.00 -0.01 0.00 0.00 57.16 57.75 3hho n GLU 14 Cb 0.71 -2.70 -0.15 0.00 -1.01 0.00 0.00 31.44 28.29 3hho n GLU 14 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3hho s LEU 15 N 3.94 1.49 -0.73 -4.62 0.20 -1.26 -5.08 118.68 112.61 3hho s LEU 15 Ca 0.91 0.01 -0.21 0.00 0.69 0.00 0.00 54.13 55.53 3hho s LEU 15 Cb -0.65 -0.07 0.09 0.00 -0.43 0.00 0.00 46.19 45.13 3hho s LEU 15 CO 0.49 -0.07 1.00 -0.62 -0.29 0.00 0.00 176.35 176.87 3hho s ASP 16 N 0.59 6.30 0.17 3.68 2.15 -1.26 -4.93 116.67 123.36 3hho s ASP 16 Ca -0.05 -1.30 -0.15 0.00 0.43 0.00 0.00 52.55 51.48 3hho s ASP 16 Cb -0.07 -2.41 0.08 0.00 -0.30 0.00 0.00 42.92 40.21 3hho s ASP 16 CO -0.02 -1.33 1.80 1.23 -0.17 0.00 0.00 175.17 176.68 3hho h GLY 17 N 11.07 0.63 0.80 2.66 0.00 -1.99 -0.65 103.07 115.58 3hho h GLY 17 Ca -0.16 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.02 3hho h GLY 17 CO 1.17 0.15 0.19 1.48 0.00 0.00 0.00 176.54 179.53 3hho h SER 18 N 0.51 0.28 0.29 0.19 4.64 -1.97 0.52 113.55 118.00 3hho h SER 18 Ca 0.18 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3hho h SER 18 Cb 0.04 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3hho h SER 18 CO -0.10 0.20 -0.23 0.25 -0.87 0.00 0.00 176.83 176.08 3hho h LEU 19 N 0.39 -0.62 -0.96 5.97 5.85 -1.81 -0.65 115.31 123.48 3hho h LEU 19 Ca 0.17 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.07 3hho h LEU 19 Cb 0.08 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.16 3hho h LEU 19 CO -0.12 -0.33 -0.40 -0.11 -0.34 0.00 0.00 178.44 177.14 3hho n LEU 20 N -3.75 -0.68 0.33 2.25 7.94 -0.31 0.13 117.00 122.90 3hho n LEU 20 Ca -0.06 1.69 0.21 0.00 -1.11 0.00 0.00 56.01 56.74 3hho n LEU 20 Cb 0.22 -0.36 1.12 0.00 0.53 0.00 0.00 43.42 44.94 3hho n LEU 20 CO 0.14 -1.49 1.16 0.28 -1.11 0.00 0.00 177.39 176.36 3hho h SER 21 N 0.00 0.00 0.06 1.96 0.02 -0.54 0.17 113.55 115.22 3hho h SER 21 Ca 0.31 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.88 3hho h SER 21 Cb 0.55 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 3hho h SER 21 CO -0.95 0.00 -2.30 -1.54 -1.14 0.00 0.00 176.83 170.90 3hho n SER 22 N -2.99 1.64 -0.00 3.07 3.41 0.35 -2.63 113.62 116.45 3hho n SER 22 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.48 3hho n SER 22 Cb 0.12 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3hho n SER 22 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3hho h GLN 23 N 0.02 -0.32 0.45 4.33 1.08 0.86 -2.15 115.11 119.38 3hho h GLN 23 Ca -0.52 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.69 3hho h GLN 23 Cb 1.99 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 29.48 3hho h GLN 23 CO -0.02 -0.22 -0.43 0.35 -0.95 0.00 0.00 178.83 177.57 3hho h PHE 24 N -0.34 -1.16 -0.89 2.96 3.57 -0.85 -1.47 116.94 118.76 3hho h PHE 24 Ca 0.10 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.73 3hho h PHE 24 Cb 0.49 0.45 -0.13 0.00 2.79 0.00 0.00 35.95 39.55 3hho h PHE 24 CO -0.37 -0.59 -0.41 0.54 -2.23 0.00 0.00 178.31 175.25 3hho n ARG 25 N -5.52 -0.27 -0.15 1.11 1.74 -1.08 0.23 116.66 112.72 3hho n ARG 25 Ca -0.11 1.36 -0.06 0.00 -0.77 0.00 0.00 57.85 58.27 3hho n ARG 25 Cb 0.42 -2.01 0.03 0.00 -1.02 0.00 0.00 32.46 29.87 3hho n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hho h ALA 26 N 0.97 0.59 -0.21 7.54 0.00 -1.24 0.22 119.26 127.12 3hho h ALA 26 Ca 0.25 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3hho h ALA 26 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hho h ALA 26 CO -0.87 -0.05 -0.00 1.25 0.00 0.00 0.00 179.25 179.58 3hho h LEU 27 N 0.54 0.37 -0.29 0.00 5.85 0.62 -1.41 115.31 120.99 3hho h LEU 27 Ca 0.19 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.66 3hho h LEU 27 Cb 0.03 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.88 3hho h LEU 27 CO -0.09 0.59 -0.38 -0.61 -0.34 0.00 0.00 178.44 177.60 3hho h GLN 28 N 0.13 -0.35 -0.74 1.25 4.15 0.32 -1.59 115.11 118.28 3hho h GLN 28 Ca 0.06 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.67 3hho h GLN 28 Cb 0.40 0.08 -0.13 0.00 0.21 0.00 0.00 27.48 28.05 3hho h GLN 28 CO 0.01 -0.23 0.02 0.87 -1.93 0.00 0.00 178.83 177.57 3hho h LYS 29 N -0.37 0.11 -0.24 1.69 1.79 -0.17 -2.42 116.57 116.97 3hho h LYS 29 Ca 0.12 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.41 3hho h LYS 29 Cb 0.58 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 3hho h LYS 29 CO -0.48 0.07 -0.54 -0.09 -1.08 0.00 0.00 179.45 177.33 3hho h ARG 30 N 0.12 0.72 -0.39 3.15 2.43 -0.32 -3.29 114.38 116.78 3hho h ARG 30 Ca 0.40 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hho h ARG 30 Cb 0.71 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3hho h ARG 30 CO -0.64 1.07 0.00 1.19 -1.51 0.00 0.00 179.97 180.08 3hho n PHE 31 N -3.99 0.50 -1.67 2.20 3.01 -0.81 -4.87 117.46 111.84 3hho n PHE 31 Ca -0.04 -0.29 -0.46 0.00 1.01 0.00 0.00 57.45 57.68 3hho n PHE 31 Cb 0.61 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.04 3hho n PHE 31 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3hho n HIS 32 N 1.30 2.20 -0.56 1.38 -0.00 -0.93 -4.59 115.22 114.03 3hho n HIS 32 Ca 0.18 0.35 0.46 0.00 0.46 0.00 0.00 57.72 59.17 3hho n HIS 32 Cb 0.55 -2.50 0.77 0.00 -0.12 0.00 0.00 29.99 28.69 3hho n HIS 32 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3hho h PRO 33 N 5.12 0.00 0.00 1.57 0.11 -1.93 0.27 132.00 137.13 3hho h PRO 33 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hho h PRO 33 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hho h PRO 33 CO 0.83 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.37 3hho n ASP 34 N -3.90 0.39 -0.31 -2.05 8.00 -1.26 -2.71 116.55 114.70 3hho n ASP 34 Ca 0.37 0.61 0.14 0.00 0.71 0.00 0.00 54.79 56.62 3hho n ASP 34 Cb 1.78 -0.69 0.52 0.00 -0.02 0.00 0.00 41.12 42.71 3hho n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hho n ASN 35 N -1.95 1.08 -0.28 -2.24 3.02 0.93 -3.93 115.26 111.89 3hho n ASN 35 Ca 0.02 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3hho n ASN 35 Cb 0.16 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3hho n ASN 35 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hho n PHE 36 N -0.35 0.00 -0.31 3.10 3.72 -1.10 -4.91 117.46 117.61 3hho n PHE 36 Ca 0.17 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3hho n PHE 36 Cb 0.32 -0.03 0.18 0.00 -0.94 0.00 0.00 39.48 39.01 3hho n PHE 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hho h ALA 37 N 0.00 1.39 -0.63 4.37 0.00 -1.67 0.06 119.26 122.77 3hho h ALA 37 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3hho h ALA 37 Cb 1.21 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3hho h ALA 37 CO 0.00 0.54 0.13 0.25 0.00 0.00 0.00 179.25 180.18 3hho n THR 38 N -4.42 2.83 -1.99 0.00 -2.24 -1.26 -4.96 114.28 102.23 3hho n THR 38 Ca 0.11 -1.59 -0.28 0.00 -2.27 0.00 0.00 64.05 60.02 3hho n THR 38 Cb 0.06 -0.32 0.07 0.00 -2.10 0.00 0.00 70.33 68.05 3hho n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hho s ALA 39 N -2.90 2.84 0.98 6.98 0.00 0.00 -5.05 121.76 124.60 3hho s ALA 39 Ca 0.54 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 3hho s ALA 39 Cb 0.43 -2.87 0.18 0.00 0.00 0.00 0.00 23.12 20.86 3hho s ALA 39 CO 0.14 -1.46 1.11 -1.54 0.00 0.00 0.00 175.76 174.01 3hho s SER 40 N -4.52 2.42 0.25 0.00 1.04 -1.26 -4.69 113.70 106.94 3hho s SER 40 Ca 0.61 2.00 -0.01 0.00 0.48 0.00 0.00 55.95 59.03 3hho s SER 40 Cb -0.11 -2.50 0.30 0.00 0.10 0.00 0.00 66.02 63.81 3hho s SER 40 CO 0.48 -3.39 1.68 -0.08 0.98 0.00 0.00 173.24 172.91 3hho h GLU 41 N -2.06 0.64 -0.46 4.02 4.81 -1.96 0.33 114.58 119.90 3hho h GLU 41 Ca -0.48 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.45 3hho h GLU 41 Cb 1.28 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3hho h GLU 41 CO 0.44 0.81 0.06 -0.09 -0.73 0.00 0.00 179.01 179.51 3hho h ARG 42 N 0.56 0.76 -0.51 1.92 2.43 -1.99 -1.77 114.38 115.79 3hho h ARG 42 Ca 0.08 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3hho h ARG 42 Cb 0.69 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3hho h ARG 42 CO 0.05 0.79 0.24 -0.44 -1.51 0.00 0.00 179.97 179.10 3hho h ASP 43 N 0.63 0.67 0.13 -3.80 3.32 -1.86 -2.86 116.42 112.65 3hho h ASP 43 Ca 0.14 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3hho h ASP 43 Cb 0.40 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3hho h ASP 43 CO 0.01 0.62 -0.12 0.03 -1.72 0.00 0.00 179.24 178.06 3hho h ARG 44 N 0.68 0.00 -1.11 3.56 3.08 -0.71 -1.56 114.38 118.31 3hho h ARG 44 Ca 0.17 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.95 3hho h ARG 44 Cb 0.13 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.03 3hho h ARG 44 CO -0.02 0.12 0.35 1.28 -1.07 0.00 0.00 179.97 180.63 3hho n LEU 45 N -4.33 5.24 0.00 3.04 4.32 -0.68 -2.04 117.00 122.54 3hho n LEU 45 Ca -0.03 -2.73 0.00 0.00 -0.02 0.00 0.00 56.01 53.24 3hho n LEU 45 Cb 0.19 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 3hho n LEU 45 CO 0.35 0.88 0.00 0.00 -1.22 0.00 0.00 177.39 177.40 3hho n ALA 47 N -0.18 0.00 -0.25 -1.18 0.00 -0.59 -2.54 120.51 115.77 3hho n ALA 47 Ca 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 3hho n ALA 47 Cb 0.97 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.52 3hho n ALA 47 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3hho h VAL 48 N 0.00 1.05 -1.00 0.00 3.04 -1.67 0.16 116.25 117.83 3hho h VAL 48 Ca 0.00 -0.28 0.07 0.00 -1.01 0.00 0.00 66.70 65.48 3hho h VAL 48 Cb 0.00 0.15 -0.07 0.00 -2.01 0.00 0.00 31.29 29.36 3hho h VAL 48 CO 0.00 0.15 0.64 1.56 -1.01 0.00 0.00 177.57 178.91 3hho h GLN 49 N 0.83 1.11 -0.13 4.17 4.20 -1.77 -0.89 115.11 122.63 3hho h GLN 49 Ca 0.30 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.79 3hho h GLN 49 Cb 0.10 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3hho h GLN 49 CO -0.14 0.73 -0.58 0.37 -0.67 0.00 0.00 178.83 178.55 3hho h GLN 50 N 1.14 0.41 -0.21 1.46 5.75 -1.23 -2.32 115.11 120.10 3hho h GLN 50 Ca 0.44 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3hho h GLN 50 Cb 0.21 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 3hho h GLN 50 CO -0.18 0.87 0.13 0.00 -2.65 0.00 0.00 178.83 177.00 3hho h ALA 51 N 1.07 0.27 -0.35 3.38 0.00 0.18 -1.91 119.26 121.91 3hho h ALA 51 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hho h ALA 51 Cb 1.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3hho h ALA 51 CO 0.10 -0.23 0.14 0.00 0.00 0.00 0.00 179.25 179.26 3hho h ALA 52 N 1.04 0.45 -0.78 0.00 0.00 -1.15 -2.08 119.26 116.76 3hho h ALA 52 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3hho h ALA 52 Cb 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3hho h ALA 52 CO -0.01 0.06 0.48 0.37 0.00 0.00 0.00 179.25 180.15 3hho h GLN 53 N 0.42 0.89 -0.50 0.00 4.15 -1.28 -1.23 115.11 117.56 3hho h GLN 53 Ca 0.12 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.51 3hho h GLN 53 Cb 0.19 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 3hho h GLN 53 CO -0.01 0.59 0.28 0.82 -1.93 0.00 0.00 178.83 178.58 3hho h ILE 54 N 0.92 1.01 -0.24 2.39 2.04 -1.02 0.30 117.51 122.91 3hho h ILE 54 Ca 0.32 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.87 3hho h ILE 54 Cb 0.07 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3hho h ILE 54 CO -0.14 0.10 -0.36 0.78 0.00 0.00 0.00 178.15 178.54 3hho h ASN 55 N 0.55 0.56 -0.42 1.72 2.35 -0.98 -1.26 115.58 118.10 3hho h ASN 55 Ca 0.21 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 3hho h ASN 55 Cb 0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3hho h ASN 55 CO -0.12 0.87 -0.14 0.44 -1.65 0.00 0.00 177.43 176.83 3hho h ASP 56 N 0.45 0.84 -0.16 5.81 3.32 -0.63 -0.61 116.42 125.45 3hho h ASP 56 Ca 0.05 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 56.73 3hho h ASP 56 Cb 0.83 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3hho h ASP 56 CO 0.07 1.03 0.05 0.00 -1.72 0.00 0.00 179.24 178.67 3hho h ALA 57 N 0.84 0.17 0.06 3.45 0.00 -0.21 0.84 119.26 124.40 3hho h ALA 57 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hho h ALA 57 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3hho h ALA 57 CO 0.05 -0.38 -0.15 -0.92 0.00 0.00 0.00 179.25 177.84 3hho h TYR 58 N 0.13 -0.40 0.00 0.00 3.20 -1.16 -1.19 116.97 117.54 3hho h TYR 58 Ca 0.07 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3hho h TYR 58 Cb 0.04 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 3hho h TYR 58 CO -0.11 -0.23 -0.13 1.96 -1.64 0.00 0.00 178.16 178.01 3hho h GLN 59 N -0.29 0.00 0.09 1.82 1.08 -0.95 0.03 115.11 116.90 3hho h GLN 59 Ca 0.03 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.98 3hho h GLN 59 Cb 0.32 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3hho h GLN 59 CO -0.11 0.13 -1.15 1.15 -0.95 0.00 0.00 178.83 177.90 3hho h THR 60 N 0.00 1.52 0.00 -0.54 2.02 -0.55 -3.35 112.91 112.02 3hho h THR 60 Ca -0.00 -3.03 -0.24 0.00 0.77 0.00 0.00 66.41 63.90 3hho h THR 60 Cb 0.61 2.85 -0.04 0.00 -1.74 0.00 0.00 68.15 69.83 3hho h THR 60 CO 0.02 0.88 -1.50 -0.07 0.37 0.00 0.00 175.52 175.22 3hho h LEU 61 N 0.08 0.00 -0.57 2.58 3.38 -0.93 -1.99 115.31 117.86 3hho h LEU 61 Ca -0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3hho h LEU 61 Cb 1.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 3hho h LEU 61 CO 0.18 0.88 -0.04 0.07 0.09 0.00 0.00 178.44 179.63 3hho h LYS 62 N 0.00 1.04 -5.97 1.13 2.10 -1.13 -3.41 116.57 110.33 3hho h LYS 62 Ca -0.21 -0.35 -0.58 0.00 -2.00 0.00 0.00 60.65 57.51 3hho h LYS 62 Cb 1.86 -0.08 -0.07 0.00 -0.90 0.00 0.00 32.23 33.03 3hho h LYS 62 CO 0.08 1.04 0.46 0.34 -2.00 0.00 0.00 179.45 179.37 3hho s ASP 63 N -6.57 6.98 0.41 7.07 2.15 -1.25 -4.94 116.67 120.52 3hho s ASP 63 Ca -0.12 1.22 0.09 0.00 0.43 0.00 0.00 52.55 54.17 3hho s ASP 63 Cb 0.13 -2.47 0.86 0.00 -0.30 0.00 0.00 42.92 41.14 3hho s ASP 63 CO 0.86 -0.45 2.00 -0.65 -0.17 0.00 0.00 175.17 176.75 3hho h PRO 64 N 7.37 0.35 -0.35 4.34 0.11 -1.89 0.43 132.00 142.36 3hho h PRO 64 Ca -0.27 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3hho h PRO 64 Cb 1.12 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3hho h PRO 64 CO 0.86 0.34 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.88 3hho h LEU 65 N 0.35 0.65 -0.37 2.35 3.38 -1.93 0.21 115.31 119.94 3hho h LEU 65 Ca 0.08 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3hho h LEU 65 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hho h LEU 65 CO -0.00 0.83 -0.04 0.03 0.09 0.00 0.00 178.44 179.34 3hho h ARG 66 N 0.45 0.68 -0.06 1.13 3.08 -1.53 -2.00 114.38 116.14 3hho h ARG 66 Ca 0.10 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 59.94 3hho h ARG 66 Cb 0.52 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 3hho h ARG 66 CO 0.03 0.81 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.48 3hho h ARG 67 N 0.49 -0.23 -0.84 0.04 2.43 0.63 -0.76 114.38 116.13 3hho h ARG 67 Ca 0.10 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.40 3hho h ARG 67 Cb 0.53 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 3hho h ARG 67 CO 0.03 -0.16 0.46 0.00 -1.51 0.00 0.00 179.97 178.79 3hho h ALA 68 N 0.73 1.23 -0.26 2.80 0.00 -0.86 -0.83 119.26 122.07 3hho h ALA 68 Ca 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hho h ALA 68 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hho h ALA 68 CO -0.20 0.02 0.04 1.49 0.00 0.00 0.00 179.25 180.60 3hho h GLU 69 N 0.73 0.44 -0.21 0.00 4.81 -0.76 -2.02 114.58 117.55 3hho h GLU 69 Ca 0.43 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 3hho h GLU 69 Cb 0.49 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 3hho h GLU 69 CO -0.30 0.56 -0.40 -0.92 -0.73 0.00 0.00 179.01 177.23 3hho h TYR 70 N 0.25 -1.14 -0.96 0.92 3.20 -0.41 -0.22 116.97 118.61 3hho h TYR 70 Ca 0.08 0.05 0.24 0.00 3.14 0.00 0.00 58.73 62.24 3hho h TYR 70 Cb 0.34 0.53 -0.13 0.00 1.54 0.00 0.00 36.73 39.01 3hho h TYR 70 CO 0.02 -0.45 0.51 -0.07 -1.64 0.00 0.00 178.16 176.53 3hho h LEU 71 N -0.42 0.52 -0.02 2.82 3.38 -1.06 -1.24 115.31 119.29 3hho h LEU 71 Ca 0.10 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hho h LEU 71 Cb 0.60 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hho h LEU 71 CO -0.44 0.05 0.01 -0.07 0.09 0.00 0.00 178.44 178.08 3hho h LEU 72 N 0.49 0.03 -1.71 1.67 3.38 -0.32 -3.02 115.31 115.83 3hho h LEU 72 Ca 0.61 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 3hho h LEU 72 Cb 1.17 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3hho h LEU 72 CO -0.50 0.14 -0.05 0.77 0.09 0.00 0.00 178.44 178.89 3hho h SER 73 N -0.08 0.00 0.62 -0.43 4.64 -0.32 0.52 113.55 118.49 3hho h SER 73 Ca 0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3hho h SER 73 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hho h SER 73 CO -0.00 0.05 -0.16 -0.07 -0.87 0.00 0.00 176.83 175.78 3hho h LEU 74 N 0.00 0.00 -0.52 5.97 3.38 -1.13 0.62 115.31 123.64 3hho h LEU 74 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hho h LEU 74 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hho h LEU 74 CO 0.01 0.16 -0.15 0.00 0.09 0.00 0.00 178.44 178.54 3hho n GLN 75 N -3.49 1.00 -1.79 1.13 1.13 -0.66 -4.92 117.38 109.78 3hho n GLN 75 Ca -0.01 -0.52 -0.01 0.00 -1.94 0.00 0.00 57.00 54.53 3hho n GLN 75 Cb 0.32 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.18 3hho n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hho n GLY 76 N 1.27 0.36 3.87 1.08 0.00 0.22 -5.05 105.19 106.93 3hho n GLY 76 Ca 0.15 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 3hho n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hho s ILE 77 N -2.03 5.15 0.30 -0.61 -1.09 0.09 -4.91 121.20 118.09 3hho s ILE 77 Ca 0.00 0.46 -0.18 0.00 -2.23 0.00 0.00 60.65 58.70 3hho s ILE 77 Cb 0.00 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.28 3hho s ILE 77 CO 0.00 0.38 0.70 -1.61 -1.23 0.00 0.00 174.94 173.18 3hho s GLU 78 N -1.66 1.87 0.00 2.79 0.41 -1.26 -2.47 118.70 118.37 3hho s GLU 78 Ca 0.29 -1.16 0.00 0.00 -0.41 0.00 0.00 54.97 53.69 3hho s GLU 78 Cb -0.14 0.59 0.00 0.00 -1.78 0.00 0.00 34.13 32.80 3hho s GLU 78 CO 0.16 -0.85 0.00 -1.71 -0.49 0.00 0.00 175.26 172.37 3hho n ASN 80 N -0.71 0.00 -0.21 -0.19 5.15 -1.26 -5.14 115.26 112.90 3hho n ASN 80 Ca -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 3hho n ASN 80 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 3hho n ASN 80 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3hho n THR 85 N 0.00 -0.14 -3.22 -0.44 5.66 -1.26 -5.17 114.28 109.71 3hho n THR 85 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 3hho n THR 85 Cb 0.00 -0.44 -0.06 0.00 -1.55 0.00 0.00 70.33 68.28 3hho n THR 85 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3hho s LEU 86 N -0.38 4.45 -0.29 1.09 1.43 -1.26 -4.98 118.68 118.74 3hho s LEU 86 Ca 0.00 1.20 0.08 0.00 -1.03 0.00 0.00 54.13 54.38 3hho s LEU 86 Cb 0.00 -2.92 0.46 0.00 0.03 0.00 0.00 46.19 43.76 3hho s LEU 86 CO 0.00 0.16 1.18 0.00 0.23 0.00 0.00 176.35 177.92 3hho n GLN 87 N 2.40 3.45 -3.68 1.70 10.64 -1.26 -4.80 117.38 125.84 3hho n GLN 87 Ca -0.08 -4.12 -0.29 0.00 -1.83 0.00 0.00 57.00 50.69 3hho n GLN 87 Cb 0.51 -2.22 -0.10 0.00 -0.86 0.00 0.00 30.24 27.57 3hho n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 3hho n ASP 88 N -0.70 3.50 -1.70 2.61 4.64 -1.26 -5.08 116.55 118.57 3hho n ASP 88 Ca 0.41 -3.30 0.00 0.00 -1.38 0.00 0.00 54.79 50.52 3hho n ASP 88 Cb 0.95 -0.76 0.00 0.00 -1.04 0.00 0.00 41.12 40.27 3hho n ASP 88 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3hho n PRO 89 N 1.55 0.00 0.00 -0.67 -0.02 -1.26 -1.29 135.00 133.31 3hho n PRO 89 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3hho n PRO 89 Cb 0.37 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 3hho n PRO 89 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hho n PHE 91 N 1.42 0.00 0.00 6.00 7.35 -1.26 -4.57 117.46 126.40 3hho n PHE 91 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3hho n PHE 91 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3hho n PHE 91 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3hho n LEU 92 N 0.00 0.00 0.00 -2.13 4.77 -0.41 -1.39 117.00 117.84 3hho n LEU 92 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hho n LEU 92 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hho n LEU 92 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3hho n GLU 94 N 0.20 0.00 -0.03 3.23 1.02 -1.26 -4.69 120.64 119.11 3hho n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hho n GLU 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3hho n GLU 94 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hho n GLN 95 N 0.00 0.46 0.00 3.49 1.13 -0.48 -0.61 117.38 121.37 3hho n GLN 95 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3hho n GLN 95 Cb 0.00 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.08 3hho n GLN 95 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hho n GLU 97 N 0.88 0.00 -0.28 -1.09 1.02 -1.26 -1.11 120.64 118.80 3hho n GLU 97 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 3hho n GLU 97 Cb 0.23 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 31.83 3hho n GLU 97 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hho h LEU 98 N 0.00 0.99 0.67 -4.62 3.38 -1.26 -0.03 115.31 114.43 3hho h LEU 98 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3hho h LEU 98 Cb 0.00 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.51 3hho h LEU 98 CO 0.00 0.73 -0.32 -0.09 0.09 0.00 0.00 178.44 178.85 3hho h ARG 99 N 1.15 -0.87 -0.61 1.13 9.65 -1.36 -0.73 114.38 122.74 3hho h ARG 99 Ca 0.31 0.06 0.11 0.00 -1.10 0.00 0.00 59.98 59.35 3hho h ARG 99 Cb -0.10 0.20 -0.12 0.00 -1.39 0.00 0.00 29.97 28.56 3hho h ARG 99 CO -0.06 -0.55 -0.34 0.93 2.80 0.00 0.00 179.97 182.75 3hho h GLU 100 N -1.03 -0.15 -0.18 0.20 3.07 -1.78 0.49 114.58 115.21 3hho h GLU 100 Ca -0.09 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.83 3hho h GLU 100 Cb 0.72 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 3hho h GLU 100 CO 0.15 -0.10 0.15 1.49 -1.40 0.00 0.00 179.01 179.30 3hho h GLU 101 N -0.15 0.00 -0.03 2.33 4.81 -0.80 -0.49 114.58 120.25 3hho h GLU 101 Ca 0.24 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.25 3hho h GLU 101 Cb 0.55 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.95 3hho h GLU 101 CO -0.69 0.00 -0.83 1.25 -0.73 0.00 0.00 179.01 178.01 3hho h LEU 102 N 0.00 0.78 0.00 1.64 5.85 0.58 -3.10 115.31 121.06 3hho h LEU 102 Ca 0.08 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3hho h LEU 102 Cb 0.38 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hho h LEU 102 CO -0.00 1.40 0.00 -0.62 -0.34 0.00 0.00 178.44 178.87 3hho n GLU 103 N -4.01 0.01 -0.09 1.25 -0.58 -0.23 -2.46 120.64 114.53 3hho n GLU 103 Ca -0.10 0.41 -0.17 0.00 -0.42 0.00 0.00 57.16 56.87 3hho n GLU 103 Cb 0.78 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 30.02 3hho n GLU 103 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3hho n SER 104 N -1.48 1.74 -0.15 1.62 7.64 -1.00 -4.25 113.62 117.74 3hho n SER 104 Ca 0.01 -0.01 0.13 0.00 1.01 0.00 0.00 58.87 60.01 3hho n SER 104 Cb 0.05 -0.34 0.25 0.00 -1.01 0.00 0.00 64.21 63.16 3hho n SER 104 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3hho n VAL 105 N -3.24 -0.20 -0.03 0.44 0.31 -1.03 0.11 118.33 114.69 3hho n VAL 105 Ca -0.40 0.96 -0.10 0.00 -0.01 0.00 0.00 64.34 64.80 3hho n VAL 105 Cb 1.03 -1.53 -0.07 0.00 -0.91 0.00 0.00 33.84 32.36 3hho n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hho h THR 106 N 0.00 0.00 -0.71 2.52 1.03 -1.75 -3.18 112.91 110.82 3hho h THR 106 Ca 0.37 0.00 -0.72 0.00 -0.01 0.00 0.00 66.41 66.05 3hho h THR 106 Cb 0.96 0.00 -0.09 0.00 -1.07 0.00 0.00 68.15 67.95 3hho h THR 106 CO -0.38 0.00 2.54 0.00 -0.01 0.00 0.00 175.52 177.67 3hho n ALA 107 N -2.90 5.12 -2.16 0.00 0.00 0.31 -4.70 120.51 116.18 3hho n ALA 107 Ca -0.04 -4.04 -0.10 0.00 0.00 0.00 0.00 53.44 49.26 3hho n ALA 107 Cb 0.25 -3.33 -0.10 0.00 0.00 0.00 0.00 19.45 16.27 3hho n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hho n ALA 109 N -0.10 -0.13 -3.58 0.00 0.00 -1.26 -4.02 120.51 111.43 3hho n ALA 109 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 3hho n ALA 109 Cb 0.64 0.15 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 3hho n ALA 109 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hho s ASP 110 N -2.41 5.77 0.12 0.00 2.15 -1.26 -4.93 116.67 116.11 3hho s ASP 110 Ca 0.00 -2.68 -0.31 0.00 0.43 0.00 0.00 52.55 49.98 3hho s ASP 110 Cb 0.00 -1.98 -0.09 0.00 -0.30 0.00 0.00 42.92 40.54 3hho s ASP 110 CO 0.00 -0.47 1.57 -0.65 -0.17 0.00 0.00 175.17 175.45 3hho h PRO 111 N 7.45 -0.55 -1.73 4.34 0.11 -1.72 0.23 132.00 140.12 3hho h PRO 111 Ca -0.00 0.04 0.53 0.00 0.11 0.00 0.00 66.00 66.67 3hho h PRO 111 Cb 0.99 0.12 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 3hho h PRO 111 CO 0.74 -0.37 1.21 0.39 -0.21 0.00 0.00 178.00 179.77 3hho n GLU 112 N -5.45 -0.01 0.04 1.05 1.02 -1.26 0.45 120.64 116.48 3hho n GLU 112 Ca -0.06 1.12 -0.18 0.00 -0.02 0.00 0.00 57.16 58.02 3hho n GLU 112 Cb 0.38 -2.44 -0.14 0.00 -0.02 0.00 0.00 31.44 29.22 3hho n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hho h ALA 113 N 1.18 0.36 -0.20 0.62 0.00 -1.05 -3.18 119.26 116.98 3hho h ALA 113 Ca 0.90 -1.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 3hho h ALA 113 Cb 3.38 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 21.60 3hho h ALA 113 CO -0.17 1.22 -0.60 0.00 0.00 0.00 0.00 179.25 179.71 3hho h ALA 114 N 0.41 0.57 0.78 0.00 0.00 0.20 -1.91 119.26 119.30 3hho h ALA 114 Ca -0.30 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 3hho h ALA 114 Cb 2.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.76 3hho h ALA 114 CO 0.14 0.69 -0.39 1.25 0.00 0.00 0.00 179.25 180.94 3hho h LEU 115 N 0.50 -0.94 -1.37 0.00 5.85 -1.06 0.56 115.31 118.84 3hho h LEU 115 Ca -0.00 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.89 3hho h LEU 115 Cb 1.18 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.40 3hho h LEU 115 CO 0.12 -0.65 0.55 0.58 -0.34 0.00 0.00 178.44 178.69 3hho h VAL 116 N -1.07 0.84 0.01 1.05 2.07 -1.53 1.20 116.25 118.83 3hho h VAL 116 Ca -0.10 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3hho h VAL 116 Cb 0.83 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3hho h VAL 116 CO 0.16 0.11 -0.01 0.00 0.02 0.00 0.00 177.57 177.86 3hho h ALA 117 N 1.61 -0.02 -0.47 1.67 0.00 -1.09 -2.81 119.26 118.15 3hho h ALA 117 Ca 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3hho h ALA 117 Cb 0.71 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3hho h ALA 117 CO -0.17 -0.41 0.21 0.35 0.00 0.00 0.00 179.25 179.23 3hho h PHE 118 N -0.23 0.69 0.00 0.00 3.57 0.15 -2.98 116.94 118.15 3hho h PHE 118 Ca -0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3hho h PHE 118 Cb 0.22 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3hho h PHE 118 CO -0.01 0.57 0.00 -3.47 -2.23 0.00 0.00 178.31 173.18 3hho n ASP 119 N -4.61 0.00 -0.25 0.41 -0.08 0.39 -2.28 116.55 110.13 3hho n ASP 119 Ca 0.01 0.94 0.25 0.00 -1.51 0.00 0.00 54.79 54.48 3hho n ASP 119 Cb 0.13 -0.44 0.61 0.00 2.34 0.00 0.00 41.12 43.76 3hho n ASP 119 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hho h THR 120 N 0.00 0.57 0.05 5.18 1.03 -1.34 -1.21 112.91 117.19 3hho h THR 120 Ca 0.00 -0.08 -0.24 0.00 -0.01 0.00 0.00 66.41 66.09 3hho h THR 120 Cb 0.00 0.32 -0.00 0.00 -1.07 0.00 0.00 68.15 67.40 3hho h THR 120 CO 0.00 0.04 -1.05 0.07 -0.01 0.00 0.00 175.52 174.57 3hho h LYS 121 N 0.23 0.24 -0.29 0.00 2.10 -1.41 0.12 116.57 117.56 3hho h LYS 121 Ca 0.49 -0.33 -0.13 0.00 -2.00 0.00 0.00 60.65 58.68 3hho h LYS 121 Cb 1.54 0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.97 3hho h LYS 121 CO -0.13 1.09 -0.35 0.28 -2.00 0.00 0.00 179.45 178.34 3hho h VAL 122 N 0.10 1.29 -0.27 0.07 2.07 -0.82 -3.13 116.25 115.56 3hho h VAL 122 Ca -0.08 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 65.83 3hho h VAL 122 Cb 1.74 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3hho h VAL 122 CO 0.17 0.48 -0.25 0.74 0.02 0.00 0.00 177.57 178.73 3hho h THR 123 N 0.54 1.31 0.00 2.57 2.02 -1.19 0.11 112.91 118.26 3hho h THR 123 Ca 0.06 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.83 3hho h THR 123 Cb 0.86 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3hho h THR 123 CO 0.07 0.44 0.00 0.00 0.37 0.00 0.00 175.52 176.41 3hho n ALA 124 N -2.48 0.86 0.00 6.16 0.00 0.41 -0.81 120.51 124.65 3hho n ALA 124 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hho n ALA 124 Cb 0.44 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3hho n ALA 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3hho n GLN 126 N 0.14 0.00 -0.06 0.00 7.27 0.37 -1.54 117.38 123.57 3hho n GLN 126 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 3hho n GLN 126 Cb 0.00 0.00 0.35 0.00 2.41 0.00 0.00 30.24 33.00 3hho n GLN 126 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3hho h ARG 127 N 0.00 0.66 0.06 3.69 2.43 -1.21 -0.59 114.38 119.42 3hho h ARG 127 Ca 0.00 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 3hho h ARG 127 Cb 0.00 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3hho h ARG 127 CO 0.00 0.48 -0.65 0.45 -1.51 0.00 0.00 179.97 178.74 3hho h HIS 128 N 0.67 0.55 -0.48 2.20 3.86 -1.55 -1.27 115.15 119.13 3hho h HIS 128 Ca 0.18 -0.34 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 3hho h HIS 128 Cb -0.00 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 3hho h HIS 128 CO 0.00 1.20 0.18 1.88 0.86 0.00 0.00 177.93 182.05 3hho h TYR 129 N -0.26 0.70 0.47 2.45 0.05 -1.81 -0.31 116.97 118.27 3hho h TYR 129 Ca -0.10 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 3hho h TYR 129 Cb 1.42 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.94 3hho h TYR 129 CO 0.17 0.56 -0.28 -0.07 -1.05 0.00 0.00 178.16 177.49 3hho h LEU 130 N 0.69 -0.71 -1.62 3.88 3.38 -1.08 0.65 115.31 120.50 3hho h LEU 130 Ca 0.17 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.36 3hho h LEU 130 Cb 0.17 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3hho h LEU 130 CO -0.01 -0.44 0.55 0.00 0.09 0.00 0.00 178.44 178.63 3hho h ALA 131 N -1.51 2.25 -0.12 1.53 0.00 -1.12 -1.11 119.26 119.18 3hho h ALA 131 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3hho h ALA 131 Cb 0.56 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hho h ALA 131 CO 0.07 -0.49 -0.20 1.96 0.00 0.00 0.00 179.25 180.58 3hho h GLN 132 N 0.34 0.35 -0.29 0.00 4.20 -0.81 -2.46 115.11 116.43 3hho h GLN 132 Ca 0.41 -0.22 0.07 0.00 0.06 0.00 0.00 58.65 58.97 3hho h GLN 132 Cb 1.08 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.81 3hho h GLN 132 CO -0.12 0.80 -0.23 1.25 -0.67 0.00 0.00 178.83 179.86 3hho h LEU 133 N -0.06 -0.76 -1.03 1.46 5.85 0.15 -1.80 115.31 119.12 3hho h LEU 133 Ca 0.01 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3hho h LEU 133 Cb 0.78 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 3hho h LEU 133 CO 0.05 -0.27 0.65 -0.61 -0.34 0.00 0.00 178.44 177.92 3hho h GLN 134 N -0.21 1.17 -0.44 1.25 4.15 -1.29 -0.95 115.11 118.79 3hho h GLN 134 Ca 0.15 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.54 3hho h GLN 134 Cb 0.45 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 3hho h GLN 134 CO -0.42 0.77 0.23 0.78 -1.93 0.00 0.00 178.83 178.26 3hho h GLY 135 N 1.20 0.61 2.00 2.39 0.00 -0.85 0.39 103.07 108.81 3hho h GLY 135 Ca 0.41 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 3hho h GLY 135 CO -0.15 0.11 -0.31 0.06 0.00 0.00 0.00 176.54 176.25 3hho h GLN 136 N 0.45 0.00 -0.05 4.80 3.07 -0.82 -2.16 115.11 120.40 3hho h GLN 136 Ca 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.89 3hho h GLN 136 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 3hho h GLN 136 CO -0.13 0.31 -0.12 -0.07 0.09 0.00 0.00 178.83 178.91 3hho h LEU 137 N 0.00 0.19 -2.60 0.06 3.38 -0.58 1.96 115.31 117.71 3hho h LEU 137 Ca -0.00 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.38 3hho h LEU 137 Cb 0.96 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3hho h LEU 137 CO 0.04 0.75 0.07 0.00 0.09 0.00 0.00 178.44 179.40 3hho h ALA 138 N 0.44 1.33 -0.36 1.53 0.00 -0.11 -1.55 119.26 120.54 3hho h ALA 138 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hho h ALA 138 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hho h ALA 138 CO 0.03 -0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.23 3hho n GLN 139 N -3.41 3.02 -3.10 0.00 6.02 -0.82 -4.96 117.38 114.13 3hho n GLN 139 Ca -0.02 -2.46 -0.21 0.00 -0.01 0.00 0.00 57.00 54.30 3hho n GLN 139 Cb 0.15 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3hho n GLN 139 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3hho n SER 140 N 0.26 -4.30 -4.35 1.08 7.64 -0.58 -4.91 113.62 108.46 3hho n SER 140 Ca 0.17 -0.25 -0.44 0.00 1.01 0.00 0.00 58.87 59.36 3hho n SER 140 Cb 0.66 -3.55 0.00 0.00 -1.01 0.00 0.00 64.21 60.31 3hho n SER 140 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hho n GLU 141 N -3.61 3.50 0.13 1.43 1.02 0.66 -4.83 120.64 118.93 3hho n GLU 141 Ca -0.06 -4.00 -0.00 0.00 -0.02 0.00 0.00 57.16 53.07 3hho n GLU 141 Cb 0.57 -2.88 0.10 0.00 -0.02 0.00 0.00 31.44 29.21 3hho n GLU 141 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3hho h TRP 142 N 6.77 0.00 0.37 -0.32 4.06 -1.91 0.82 115.95 125.74 3hho h TRP 142 Ca 0.29 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.22 3hho h TRP 142 Cb 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.00 3hho h TRP 142 CO 1.03 0.63 -0.18 1.25 -3.56 0.00 0.00 178.44 177.61 3hho h LEU 143 N 0.00 -0.42 -0.26 -4.49 7.12 -1.95 0.71 115.31 116.03 3hho h LEU 143 Ca -0.01 -0.12 0.05 0.00 0.13 0.00 0.00 57.88 57.93 3hho h LEU 143 Cb 1.30 0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 41.49 3hho h LEU 143 CO 0.08 -0.10 -0.05 0.00 -0.13 0.00 0.00 178.44 178.24 3hho h ALA 144 N -0.25 0.19 -0.73 1.25 0.00 -1.89 -2.22 119.26 115.61 3hho h ALA 144 Ca -0.05 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3hho h ALA 144 Cb 0.51 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3hho h ALA 144 CO 0.08 -0.46 0.41 0.00 0.00 0.00 0.00 179.25 179.29 3hho h ALA 145 N 1.25 1.00 -0.48 0.00 0.00 0.81 -2.35 119.26 119.49 3hho h ALA 145 Ca 0.13 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3hho h ALA 145 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hho h ALA 145 CO -0.26 0.08 -0.09 0.00 0.00 0.00 0.00 179.25 178.98 3hho h ALA 146 N 1.39 0.94 -0.95 0.00 0.00 0.82 -2.94 119.26 118.52 3hho h ALA 146 Ca 0.34 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hho h ALA 146 Cb 0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3hho h ALA 146 CO -0.21 0.62 0.63 0.22 0.00 0.00 0.00 179.25 180.52 3hho h ASP 147 N 0.78 1.09 -0.60 0.00 3.58 -0.90 -2.65 116.42 117.72 3hho h ASP 147 Ca 0.13 -0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.63 3hho h ASP 147 Cb 0.59 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.31 3hho h ASP 147 CO 0.04 0.79 0.28 1.56 -2.88 0.00 0.00 179.24 179.02 3hho h GLN 148 N 1.29 0.49 -0.22 0.28 7.50 -1.29 -2.93 115.11 120.23 3hho h GLN 148 Ca 0.35 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.47 3hho h GLN 148 Cb -0.14 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.26 3hho h GLN 148 CO -0.08 0.32 0.12 0.82 -1.50 0.00 0.00 178.83 178.51 3hho h ILE 149 N 0.50 1.12 -0.39 2.54 2.04 -1.31 0.55 117.51 122.57 3hho h ILE 149 Ca 0.29 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3hho h ILE 149 Cb 0.27 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 3hho h ILE 149 CO -0.24 0.12 -0.36 0.03 0.00 0.00 0.00 178.15 177.70 3hho h ARG 150 N 0.24 -0.28 -0.19 2.37 3.08 -1.43 0.11 114.38 118.29 3hho h ARG 150 Ca 0.08 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3hho h ARG 150 Cb 0.09 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3hho h ARG 150 CO -0.01 -0.19 -0.01 0.87 -1.07 0.00 0.00 179.97 179.56 3hho h LYS 151 N -0.29 0.33 -0.68 0.04 1.57 -1.33 -2.58 116.57 113.64 3hho h LYS 151 Ca 0.16 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3hho h LYS 151 Cb 0.56 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 3hho h LYS 151 CO -0.55 0.55 0.45 -0.07 -0.57 0.00 0.00 179.45 179.26 3hho h LEU 152 N 0.08 0.62 -1.24 2.94 3.38 -0.66 0.14 115.31 120.56 3hho h LEU 152 Ca 0.05 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3hho h LEU 152 Cb 0.41 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3hho h LEU 152 CO 0.01 0.41 0.53 0.11 0.09 0.00 0.00 178.44 179.59 3hho h LYS 153 N 0.71 0.93 0.07 1.13 1.57 -0.38 0.14 116.57 120.75 3hho h LYS 153 Ca 0.29 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3hho h LYS 153 Cb 0.22 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3hho h LYS 153 CO -0.09 0.62 -0.03 0.74 -0.57 0.00 0.00 179.45 180.11 3hho h PHE 154 N 0.96 -0.08 -0.95 -1.35 0.04 -0.62 -2.94 116.94 112.00 3hho h PHE 154 Ca 0.33 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.14 3hho h PHE 154 Cb 0.11 0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.23 3hho h PHE 154 CO -0.00 0.18 0.62 0.82 -0.60 0.00 0.00 178.31 179.34 3hho h ILE 155 N -0.35 1.14 0.23 -0.55 1.08 -0.43 0.28 117.51 118.91 3hho h ILE 155 Ca -0.01 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 3hho h ILE 155 Cb 0.30 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 33.91 3hho h ILE 155 CO 0.02 0.21 -0.13 0.00 -0.69 0.00 0.00 178.15 177.56 3hho h ALA 156 N 1.45 -0.34 -0.43 1.87 0.00 -0.74 1.03 119.26 122.11 3hho h ALA 156 Ca 0.39 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3hho h ALA 156 Cb 0.06 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3hho h ALA 156 CO -0.13 -0.70 0.26 0.87 0.00 0.00 0.00 179.25 179.55 3hho h LYS 157 N -0.35 0.51 -0.12 0.00 1.57 -1.29 0.88 116.57 117.77 3hho h LYS 157 Ca -0.02 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3hho h LYS 157 Cb 0.28 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3hho h LYS 157 CO 0.03 0.34 -0.31 1.25 -0.57 0.00 0.00 179.45 180.18 3hho h LEU 158 N 0.52 -0.97 -1.65 2.94 5.85 -0.14 0.41 115.31 122.28 3hho h LEU 158 Ca 0.17 0.14 0.19 0.00 0.84 0.00 0.00 57.88 59.22 3hho h LEU 158 Cb -0.00 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3hho h LEU 158 CO -0.07 -0.35 0.55 0.50 -0.34 0.00 0.00 178.44 178.73 3hho h LYS 159 N -0.39 0.30 -0.41 1.25 1.63 0.13 0.91 116.57 119.99 3hho h LYS 159 Ca 0.09 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 3hho h LYS 159 Cb 0.54 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 3hho h LYS 159 CO -0.34 0.20 0.02 -0.97 -3.45 0.00 0.00 179.45 174.90 3hho h ASN 160 N 0.31 0.70 -0.08 4.20 -1.24 0.22 -2.57 115.58 117.12 3hho h ASN 160 Ca 0.41 -0.30 0.03 0.00 0.71 0.00 0.00 56.30 57.15 3hho h ASN 160 Cb 1.14 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.97 3hho h ASN 160 CO -0.12 0.82 -0.09 -0.33 -1.29 0.00 0.00 177.43 176.43 3hho h GLU 161 N 0.55 -0.11 -0.99 6.67 4.39 0.19 -0.67 114.58 124.60 3hho h GLU 161 Ca 0.12 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.99 3hho h GLU 161 Cb 0.46 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.04 3hho h GLU 161 CO 0.02 -0.07 0.62 -0.39 -1.16 0.00 0.00 179.01 178.02 3hho h VAL 162 N -0.12 0.80 0.00 3.13 -1.51 -1.25 -1.11 116.25 116.19 3hho h VAL 162 Ca 0.06 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 3hho h VAL 162 Cb 0.20 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.25 3hho h VAL 162 CO -0.15 0.15 0.00 -0.33 -1.23 0.00 0.00 177.57 176.02 3hho h GLU 163 N 0.84 0.00 -0.12 5.19 4.39 -0.74 -1.32 114.58 122.81 3hho h GLU 163 Ca 0.53 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 60.13 3hho h GLU 163 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 3hho h GLU 163 CO -0.31 0.00 -0.34 0.00 -1.16 0.00 0.00 179.01 177.20 3hho h ARG 164 N 0.00 0.45 -0.02 2.33 3.08 -0.15 -3.20 114.38 116.87 3hho h ARG 164 Ca 0.00 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 3hho h ARG 164 Cb 0.53 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3hho h ARG 164 CO 0.00 0.93 -0.42 0.28 -1.07 0.00 0.00 179.97 179.69 3hho h VAL 165 N 0.04 1.31 -0.50 2.04 2.07 -0.80 -1.03 116.25 119.38 3hho h VAL 165 Ca -0.01 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 65.98 3hho h VAL 165 Cb 0.95 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3hho h VAL 165 CO 0.07 0.42 0.04 -0.08 0.02 0.00 0.00 177.57 178.04 3hho h GLU 166 N 0.03 0.80 0.00 1.57 4.81 -1.40 0.14 114.58 120.53 3hho h GLU 166 Ca -0.00 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 3hho h GLU 166 Cb 0.76 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3hho h GLU 166 CO 0.06 0.78 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.58 3hho h ASP 167 N 0.76 0.00 0.56 1.04 5.19 -1.21 0.32 116.42 123.08 3hho h ASP 167 Ca 0.15 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.31 3hho h ASP 167 Cb 0.40 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.87 3hho h ASP 167 CO 0.01 0.10 -1.61 1.56 -3.12 0.00 0.00 179.24 176.18 3hho h GLN 168 N 0.00 0.00 0.13 3.56 4.20 -0.53 -3.37 115.11 119.10 3hho h GLN 168 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 3hho h GLN 168 Cb 0.53 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.33 3hho h GLN 168 CO 0.01 0.44 -0.89 -0.07 -0.67 0.00 0.00 178.83 177.66 3hho h LEU 169 N 0.00 0.44 0.00 1.46 3.38 -0.57 -3.51 115.31 116.51 3hho h LEU 169 Ca -0.25 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.79 3hho h LEU 169 Cb 1.89 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3hho h LEU 169 CO 0.07 1.42 0.00 0.18 0.09 0.00 0.00 178.44 180.20