#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lxm s ASN 3 N 0.00 5.90 0.11 0.00 2.20 -0.68 -4.87 114.94 117.59 3lxm s ASN 3 Ca 0.00 2.81 0.13 0.00 -0.94 0.00 0.00 52.86 54.86 3lxm s ASN 3 Cb 0.00 -2.65 0.59 0.00 -2.00 0.00 0.00 41.25 37.20 3lxm s ASN 3 CO 0.00 -1.15 1.40 -0.81 -2.94 0.00 0.00 177.10 173.60 3lxm n PRO 4 N -0.26 0.06 -0.06 3.55 -0.04 -1.26 -1.99 135.00 135.01 3lxm n PRO 4 Ca 0.06 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 3lxm n PRO 4 Cb 0.43 -1.65 0.14 0.00 -0.04 0.00 0.00 33.50 32.37 3lxm n PRO 4 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3lxm n LEU 5 N -1.78 3.13 -4.70 1.53 4.77 -1.26 -4.90 117.00 113.79 3lxm n LEU 5 Ca 0.01 -1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 54.43 3lxm n LEU 5 Cb 0.10 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3lxm n LEU 5 CO 0.10 0.57 1.40 -0.47 -1.33 0.00 0.00 177.39 177.66 3lxm s TYR 6 N -1.85 2.49 -1.42 -1.77 5.04 -0.84 -2.42 117.35 116.57 3lxm s TYR 6 Ca 0.31 0.19 -0.07 0.00 -2.44 0.00 0.00 57.07 55.07 3lxm s TYR 6 Cb 0.21 -4.11 0.04 0.00 0.35 0.00 0.00 41.96 38.45 3lxm s TYR 6 CO 0.31 -4.43 0.81 0.72 -1.34 0.00 0.00 175.55 171.62 3lxm n HIS 7 N 5.02 -2.07 -4.90 4.97 8.25 -0.17 -4.99 115.22 121.34 3lxm n HIS 7 Ca 0.17 0.86 -0.26 0.00 -0.26 0.00 0.00 57.72 58.23 3lxm n HIS 7 Cb 0.38 -4.14 -0.15 0.00 1.12 0.00 0.00 29.99 27.20 3lxm n HIS 7 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3lxm s LYS 8 N -6.33 1.57 0.43 -0.41 -0.14 -1.02 -4.03 119.74 109.81 3lxm s LYS 8 Ca 0.32 -0.76 -0.23 0.00 -1.36 0.00 0.00 55.97 53.94 3lxm s LYS 8 Cb -0.16 -1.55 -0.08 0.00 -1.68 0.00 0.00 37.83 34.36 3lxm s LYS 8 CO 0.83 0.42 1.07 -1.01 -0.76 0.00 0.00 175.35 175.90 3lxm s HIS 9 N -0.54 3.12 -0.37 3.18 3.76 -1.26 -4.61 115.29 118.56 3lxm s HIS 9 Ca 0.08 1.60 0.01 0.00 -0.15 0.00 0.00 55.06 56.60 3lxm s HIS 9 Cb -0.08 -3.17 0.11 0.00 1.11 0.00 0.00 32.58 30.54 3lxm s HIS 9 CO -0.00 -0.88 0.12 0.42 -0.85 0.00 0.00 174.74 173.55 3lxm s ILE 10 N -1.70 2.75 -0.10 0.60 -1.09 -0.28 -4.94 121.20 116.45 3lxm s ILE 10 Ca 0.61 -2.22 -0.05 0.00 -2.23 0.00 0.00 60.65 56.76 3lxm s ILE 10 Cb -0.22 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3lxm s ILE 10 CO 0.28 -0.64 -0.13 -0.38 -1.23 0.00 0.00 174.94 172.83 3lxm n ILE 11 N 4.40 0.63 -4.85 2.92 2.08 -1.26 -1.24 119.36 122.05 3lxm n ILE 11 Ca 0.01 -0.11 -0.26 0.00 0.56 0.00 0.00 62.75 62.95 3lxm n ILE 11 Cb 0.42 -1.66 -0.16 0.00 -0.75 0.00 0.00 39.64 37.49 3lxm n ILE 11 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3lxm s SER 12 N -5.94 2.17 0.44 4.38 0.15 -1.26 -4.49 113.70 109.15 3lxm s SER 12 Ca -0.14 -0.35 0.13 0.00 0.70 0.00 0.00 55.95 56.28 3lxm s SER 12 Cb 0.05 -0.57 0.97 0.00 -1.71 0.00 0.00 66.02 64.76 3lxm s SER 12 CO 0.18 0.16 1.99 -0.29 1.20 0.00 0.00 173.24 176.49 3lxm h ILE 13 N 5.19 1.13 -0.36 6.45 6.09 -1.93 -2.14 117.51 131.94 3lxm h ILE 13 Ca -0.33 -0.58 0.10 0.00 -1.37 0.00 0.00 64.86 62.69 3lxm h ILE 13 Cb 1.17 1.23 -0.01 0.00 0.47 0.00 0.00 36.82 39.68 3lxm h ILE 13 CO 0.48 0.17 0.31 0.78 -3.07 0.00 0.00 178.15 176.82 3lxm h ASN 14 N 0.08 0.00 0.84 2.19 2.35 -1.95 -1.33 115.58 117.76 3lxm h ASN 14 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3lxm h ASN 14 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3lxm h ASN 14 CO 0.02 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.27 3lxm n ASP 15 N -4.09 0.17 -4.81 5.81 8.00 -0.80 -4.76 116.55 116.07 3lxm n ASP 15 Ca 0.06 0.53 -0.37 0.00 0.71 0.00 0.00 54.79 55.72 3lxm n ASP 15 Cb 0.48 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 3lxm n ASP 15 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3lxm s LEU 16 N -3.35 4.37 0.88 0.64 1.43 -0.50 -5.08 118.68 117.06 3lxm s LEU 16 Ca 0.10 0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 53.73 3lxm s LEU 16 Cb 0.14 -2.35 0.12 0.00 0.03 0.00 0.00 46.19 44.12 3lxm s LEU 16 CO 0.42 0.27 1.10 -0.94 0.23 0.00 0.00 176.35 177.44 3lxm s SER 17 N -0.52 3.74 0.22 2.29 1.04 -1.26 -4.78 113.70 114.43 3lxm s SER 17 Ca 0.18 1.30 -0.08 0.00 0.48 0.00 0.00 55.95 57.84 3lxm s SER 17 Cb -0.14 -1.98 0.32 0.00 0.10 0.00 0.00 66.02 64.32 3lxm s SER 17 CO 0.07 -2.45 1.77 -0.09 0.98 0.00 0.00 173.24 173.52 3lxm h ARG 18 N -1.42 0.52 -0.97 4.02 2.43 -1.96 -0.39 114.38 116.60 3lxm h ARG 18 Ca -0.49 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.68 3lxm h ARG 18 Cb 1.29 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.67 3lxm h ARG 18 CO 0.58 0.34 0.64 -0.44 -1.51 0.00 0.00 179.97 179.58 3lxm h ASP 19 N 0.53 1.06 -0.27 -3.80 3.32 -1.97 -0.78 116.42 114.50 3lxm h ASP 19 Ca 0.34 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.21 3lxm h ASP 19 Cb 0.38 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3lxm h ASP 19 CO -0.29 0.72 -0.51 -0.33 -1.72 0.00 0.00 179.24 177.12 3lxm h GLU 20 N 1.22 0.82 -0.49 3.56 5.08 -1.69 -1.43 114.58 121.66 3lxm h GLU 20 Ca 0.39 -0.52 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3lxm h GLU 20 Cb 0.02 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3lxm h GLU 20 CO -0.12 1.15 0.32 -0.07 -1.00 0.00 0.00 179.01 179.29 3lxm h LEU 21 N 0.59 0.55 -1.18 1.33 3.38 -0.80 -1.72 115.31 117.46 3lxm h LEU 21 Ca 0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3lxm h LEU 21 Cb 1.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3lxm h LEU 21 CO 0.11 0.39 -0.18 -0.33 0.09 0.00 0.00 178.44 178.53 3lxm h GLU 22 N 0.65 0.35 -0.31 1.13 5.08 -1.00 -1.86 114.58 118.62 3lxm h GLU 22 Ca 0.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3lxm h GLU 22 Cb -0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3lxm h GLU 22 CO -0.05 0.53 0.17 1.25 -1.00 0.00 0.00 179.01 179.91 3lxm h LEU 23 N 0.32 0.39 -0.50 1.33 5.85 -0.89 0.13 115.31 121.94 3lxm h LEU 23 Ca 0.06 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3lxm h LEU 23 Cb 0.51 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3lxm h LEU 23 CO 0.03 0.36 0.32 0.58 -0.34 0.00 0.00 178.44 179.40 3lxm h VAL 24 N 0.39 1.14 -0.51 1.05 2.07 -1.00 -1.41 116.25 117.97 3lxm h VAL 24 Ca 0.11 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 3lxm h VAL 24 Cb 0.06 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 3lxm h VAL 24 CO -0.02 0.13 -0.15 -0.07 0.02 0.00 0.00 177.57 177.48 3lxm h LEU 25 N 0.68 1.02 -0.80 2.57 4.07 -1.14 0.40 115.31 122.11 3lxm h LEU 25 Ca 0.18 -0.37 -0.02 0.00 0.08 0.00 0.00 57.88 57.75 3lxm h LEU 25 Cb -0.06 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.36 3lxm h LEU 25 CO -0.04 1.16 0.40 -0.09 -1.08 0.00 0.00 178.44 178.79 3lxm h ARG 26 N 0.88 1.14 -0.46 1.13 2.43 -0.57 -0.24 114.38 118.67 3lxm h ARG 26 Ca 0.13 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3lxm h ARG 26 Cb 0.73 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3lxm h ARG 26 CO 0.06 0.86 0.09 1.15 -1.51 0.00 0.00 179.97 180.62 3lxm h THR 27 N 1.12 1.24 -0.30 0.20 2.02 -0.99 -1.46 112.91 114.74 3lxm h THR 27 Ca 0.28 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 3lxm h THR 27 Cb 0.09 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3lxm h THR 27 CO -0.04 0.31 0.18 0.00 0.37 0.00 0.00 175.52 176.34 3lxm h ALA 28 N 0.96 0.38 -0.93 6.16 0.00 -0.67 -1.10 119.26 124.07 3lxm h ALA 28 Ca 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3lxm h ALA 28 Cb 0.37 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3lxm h ALA 28 CO 0.01 -0.12 0.61 0.00 0.00 0.00 0.00 179.25 179.75 3lxm h ALA 29 N 1.07 1.41 -0.42 0.00 0.00 -0.84 -0.45 119.26 120.02 3lxm h ALA 29 Ca 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3lxm h ALA 29 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3lxm h ALA 29 CO -0.02 0.50 -0.13 1.03 0.00 0.00 0.00 179.25 180.63 3lxm h SER 30 N 1.17 0.84 0.11 0.00 0.87 -0.85 -1.44 113.55 114.25 3lxm h SER 30 Ca 0.37 -0.38 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3lxm h SER 30 Cb 0.02 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3lxm h SER 30 CO -0.11 1.03 -0.37 -0.07 -0.53 0.00 0.00 176.83 176.78 3lxm h LEU 31 N 0.65 0.37 -0.56 2.23 3.38 -0.95 0.45 115.31 120.89 3lxm h LEU 31 Ca 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3lxm h LEU 31 Cb 0.67 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3lxm h LEU 31 CO 0.05 0.71 0.18 0.50 0.09 0.00 0.00 178.44 179.98 3lxm h LYS 32 N 0.31 0.87 -0.01 1.13 3.64 -0.91 -3.15 116.57 118.44 3lxm h LYS 32 Ca 0.03 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 3lxm h LYS 32 Cb 0.79 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3lxm h LYS 32 CO 0.06 0.78 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.30 3lxm h LYS 33 N 0.78 0.36 -3.52 1.90 3.64 -0.96 -3.43 116.57 115.34 3lxm h LYS 33 Ca 0.18 -0.37 -0.60 0.00 -1.27 0.00 0.00 60.65 58.60 3lxm h LYS 33 Cb 0.27 0.10 -0.40 0.00 -0.41 0.00 0.00 32.23 31.79 3lxm h LYS 33 CO -0.01 1.05 -0.75 0.99 -2.27 0.00 0.00 179.45 178.46 3lxm s THR 34 N -3.24 1.12 0.86 1.00 2.01 0.16 -5.10 115.64 112.45 3lxm s THR 34 Ca -0.14 -1.76 -0.10 0.00 0.31 0.00 0.00 61.69 60.00 3lxm s THR 34 Cb 0.03 -1.83 0.11 0.00 0.01 0.00 0.00 72.50 70.82 3lxm s THR 34 CO 0.80 -0.72 1.13 -2.84 -0.69 0.00 0.00 174.62 172.30 3lxm s PRO 35 N 1.25 1.49 -0.54 4.92 0.02 -1.19 -4.27 135.00 136.68 3lxm s PRO 35 Ca 0.12 1.43 0.06 0.00 0.02 0.00 0.00 61.00 62.62 3lxm s PRO 35 Cb -0.19 -1.79 0.21 0.00 0.02 0.00 0.00 34.50 32.74 3lxm s PRO 35 CO -0.17 -2.26 0.52 1.04 -0.33 0.00 0.00 177.00 175.80 3lxm n GLN 36 N -3.93 1.30 0.00 5.54 6.02 -1.26 -4.98 117.38 120.06 3lxm n GLN 36 Ca 0.11 -3.89 0.07 0.00 -0.01 0.00 0.00 57.00 53.28 3lxm n GLN 36 Cb 0.52 -1.87 0.39 0.00 1.02 0.00 0.00 30.24 30.31 3lxm n GLN 36 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3lxm n PRO 37 N 1.80 0.33 -0.01 -1.09 -0.04 -1.25 -2.29 135.00 132.46 3lxm n PRO 37 Ca 0.25 0.08 0.01 0.00 -0.04 0.00 0.00 63.50 63.80 3lxm n PRO 37 Cb 0.44 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 3lxm n PRO 37 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3lxm n GLU 38 N -1.15 2.73 -0.23 0.54 -0.58 -1.25 -2.50 120.64 118.21 3lxm n GLU 38 Ca 0.09 -1.64 -0.02 0.00 -0.42 0.00 0.00 57.16 55.16 3lxm n GLU 38 Cb 0.08 -1.07 0.09 0.00 -0.57 0.00 0.00 31.44 29.97 3lxm n GLU 38 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3lxm h LEU 39 N 0.00 0.57 -3.65 -4.62 5.85 -1.04 -2.33 115.31 110.09 3lxm h LEU 39 Ca 0.00 0.02 -0.39 0.00 0.84 0.00 0.00 57.88 58.35 3lxm h LEU 39 Cb 0.58 -0.09 -0.23 0.00 0.37 0.00 0.00 40.66 41.28 3lxm h LEU 39 CO 0.00 0.38 0.12 0.18 -0.34 0.00 0.00 178.44 178.78 3lxm n LEU 40 N -4.77 5.40 -4.67 2.25 4.77 0.63 -5.00 117.00 115.61 3lxm n LEU 40 Ca 0.08 -3.98 -0.44 0.00 -0.03 0.00 0.00 56.01 51.63 3lxm n LEU 40 Cb 0.15 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.52 3lxm n LEU 40 CO 0.30 1.39 0.94 1.17 -1.33 0.00 0.00 177.39 179.85 3lxm n LYS 41 N -1.04 2.00 -1.05 3.23 3.00 -0.88 -1.26 118.16 122.16 3lxm n LYS 41 Ca 0.45 0.71 -0.02 0.00 -0.00 0.00 0.00 58.31 59.45 3lxm n LYS 41 Cb 1.10 -2.31 -0.01 0.00 0.00 0.00 0.00 35.03 33.80 3lxm n LYS 41 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3lxm n HIS 42 N 1.26 0.00 -3.90 5.64 8.25 -1.26 -4.98 115.22 120.23 3lxm n HIS 42 Ca 0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 3lxm n HIS 42 Cb 0.33 -1.05 -0.04 0.00 1.12 0.00 0.00 29.99 30.34 3lxm n HIS 42 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3lxm s LYS 43 N -1.24 3.44 -0.12 -0.41 -0.14 -0.39 -5.01 119.74 115.87 3lxm s LYS 43 Ca 0.00 -0.36 0.03 0.00 -1.36 0.00 0.00 55.97 54.28 3lxm s LYS 43 Cb 0.00 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 33.08 3lxm s LYS 43 CO 0.00 0.65 -0.22 0.08 -0.76 0.00 0.00 175.35 175.10 3lxm s VAL 44 N -1.40 2.13 -0.13 3.17 1.01 -1.26 -1.30 120.40 122.61 3lxm s VAL 44 Ca 0.30 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3lxm s VAL 44 Cb -0.13 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3lxm s VAL 44 CO 0.22 0.55 -0.19 -0.63 0.00 0.00 0.00 175.10 175.05 3lxm s ILE 45 N 0.61 2.40 -0.02 2.22 1.01 -0.31 -0.42 121.20 126.68 3lxm s ILE 45 Ca -0.12 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.40 3lxm s ILE 45 Cb -0.17 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3lxm s ILE 45 CO 0.03 0.54 0.75 0.00 0.00 0.00 0.00 174.94 176.26 3lxm s ALA 46 N 0.59 3.32 -0.54 9.38 0.00 -0.27 -1.89 121.76 132.36 3lxm s ALA 46 Ca -0.11 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 3lxm s ALA 46 Cb -0.16 -3.01 0.14 0.00 0.00 0.00 0.00 23.12 20.08 3lxm s ALA 46 CO 0.03 -0.06 0.40 0.45 0.00 0.00 0.00 175.76 176.58 3lxm s SER 47 N 0.56 5.70 -0.64 0.00 0.15 0.93 -0.42 113.70 119.97 3lxm s SER 47 Ca 0.40 -2.22 -0.07 0.00 0.70 0.00 0.00 55.95 54.76 3lxm s SER 47 Cb -0.19 -1.99 0.17 0.00 -1.71 0.00 0.00 66.02 62.30 3lxm s SER 47 CO 0.21 -0.60 0.50 0.00 1.20 0.00 0.00 173.24 174.55 3lxm s PHE 49 N 0.32 3.28 -2.07 0.00 0.40 -0.33 -1.46 117.98 118.12 3lxm s PHE 49 Ca 0.15 -1.18 0.29 0.00 -0.60 0.00 0.00 56.93 55.58 3lxm s PHE 49 Cb -0.19 -3.18 1.61 0.00 0.51 0.00 0.00 43.02 41.77 3lxm s PHE 49 CO -0.04 -0.84 2.05 1.19 0.70 0.00 0.00 175.22 178.27 3lxm n PHE 50 N 5.11 0.01 -3.82 0.36 3.72 0.00 -2.24 117.46 120.60 3lxm n PHE 50 Ca -0.12 -0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.16 3lxm n PHE 50 Cb 0.43 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.88 3lxm n PHE 50 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 3lxm s GLU 51 N -1.99 0.60 0.16 -1.08 -1.05 -1.26 -4.72 118.70 109.36 3lxm s GLU 51 Ca 0.42 -0.35 -0.31 0.00 -0.15 0.00 0.00 54.97 54.58 3lxm s GLU 51 Cb 0.20 0.26 -0.10 0.00 -0.44 0.00 0.00 34.13 34.05 3lxm s GLU 51 CO 0.33 -0.16 1.55 0.00 0.95 0.00 0.00 175.26 177.93 3lxm s ALA 52 N -1.58 3.76 -0.46 -0.84 0.00 -1.25 -4.71 121.76 116.67 3lxm s ALA 52 Ca -0.13 1.34 0.07 0.00 0.00 0.00 0.00 51.96 53.24 3lxm s ALA 52 Cb -0.05 -3.62 0.25 0.00 0.00 0.00 0.00 23.12 19.70 3lxm s ALA 52 CO 0.02 -0.77 0.82 0.45 0.00 0.00 0.00 175.76 176.27 3lxm n SER 53 N 4.02 -2.01 -0.16 0.00 2.88 -1.26 -5.03 113.62 112.07 3lxm n SER 53 Ca 0.14 -3.19 -0.03 0.00 -1.33 0.00 0.00 58.87 54.46 3lxm n SER 53 Cb 0.39 1.18 0.05 0.00 -0.75 0.00 0.00 64.21 65.08 3lxm n SER 53 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3lxm h THR 54 N 2.70 0.58 0.19 2.46 2.02 -1.91 0.18 112.91 119.12 3lxm h THR 54 Ca -0.09 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3lxm h THR 54 Cb 1.00 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3lxm h THR 54 CO 0.35 0.01 -0.09 -0.09 0.37 0.00 0.00 175.52 176.07 3lxm h ARG 55 N 0.07 -0.25 -0.73 6.66 2.43 -1.99 -0.31 114.38 120.27 3lxm h ARG 55 Ca 0.24 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3lxm h ARG 55 Cb 0.37 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3lxm h ARG 55 CO -0.44 -0.11 0.32 1.15 -1.51 0.00 0.00 179.97 179.38 3lxm h THR 56 N -0.33 1.24 -0.34 0.20 2.02 -1.91 -1.86 112.91 111.94 3lxm h THR 56 Ca -0.03 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3lxm h THR 56 Cb 0.25 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3lxm h THR 56 CO 0.04 0.30 0.12 -0.09 0.37 0.00 0.00 175.52 176.26 3lxm h ARG 57 N 1.03 0.52 -0.68 6.66 2.43 -0.52 -1.52 114.38 122.29 3lxm h ARG 57 Ca 0.25 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3lxm h ARG 57 Cb 0.17 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3lxm h ARG 57 CO -0.03 0.53 0.21 -0.07 -1.51 0.00 0.00 179.97 179.11 3lxm h LEU 58 N 0.39 0.97 -0.05 3.80 3.38 -0.94 0.78 115.31 123.65 3lxm h LEU 58 Ca 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3lxm h LEU 58 Cb 0.22 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3lxm h LEU 58 CO -0.01 0.91 0.03 -1.28 0.09 0.00 0.00 178.44 178.18 3lxm h SER 59 N 1.01 0.06 -0.30 -0.43 0.87 -1.17 -0.21 113.55 113.39 3lxm h SER 59 Ca 0.22 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3lxm h SER 59 Cb 0.28 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3lxm h SER 59 CO -0.01 0.12 0.15 -0.26 -0.53 0.00 0.00 176.83 176.31 3lxm h PHE 60 N -0.00 0.42 -0.73 2.24 0.04 -0.78 -1.27 116.94 116.85 3lxm h PHE 60 Ca 0.02 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3lxm h PHE 60 Cb 0.07 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 3lxm h PHE 60 CO -0.05 0.36 0.29 0.93 -0.60 0.00 0.00 178.31 179.24 3lxm h GLU 61 N 0.35 1.09 -0.34 1.51 5.08 -0.77 -1.52 114.58 119.97 3lxm h GLU 61 Ca 0.10 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3lxm h GLU 61 Cb 0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3lxm h GLU 61 CO -0.01 0.88 0.20 1.15 -1.00 0.00 0.00 179.01 180.23 3lxm h THR 62 N 1.06 1.12 -0.60 1.13 2.02 -0.94 -1.60 112.91 115.10 3lxm h THR 62 Ca 0.24 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 67.20 3lxm h THR 62 Cb 0.21 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 3lxm h THR 62 CO -0.02 0.12 0.30 0.28 0.37 0.00 0.00 175.52 176.57 3lxm h SER 63 N 0.44 0.40 -0.35 4.18 0.02 -0.75 0.92 113.55 118.41 3lxm h SER 63 Ca 0.12 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3lxm h SER 63 Cb 0.02 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3lxm h SER 63 CO -0.02 0.26 0.20 0.40 -1.14 0.00 0.00 176.83 176.53 3lxm h ILE 64 N 0.55 1.13 -0.26 3.27 2.04 -0.99 -2.54 117.51 120.70 3lxm h ILE 64 Ca 0.28 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 3lxm h ILE 64 Cb 0.23 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3lxm h ILE 64 CO -0.21 0.13 -0.14 0.45 0.00 0.00 0.00 178.15 178.37 3lxm h HIS 65 N 0.45 0.48 0.00 1.37 3.86 -0.77 -1.91 115.15 118.62 3lxm h HIS 65 Ca 0.12 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3lxm h HIS 65 Cb 0.03 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 3lxm h HIS 65 CO -0.03 0.58 -0.02 0.00 0.86 0.00 0.00 177.93 179.31 3lxm h ARG 66 N 0.41 0.00 -0.02 2.45 2.47 -0.41 -0.50 114.38 118.78 3lxm h ARG 66 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3lxm h ARG 66 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3lxm h ARG 66 CO 0.03 0.02 -0.07 1.28 0.56 0.00 0.00 179.97 181.80 3lxm n LEU 67 N -3.15 2.43 0.00 3.04 4.77 -1.06 -3.74 117.00 119.28 3lxm n LEU 67 Ca -0.01 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3lxm n LEU 67 Cb 0.24 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3lxm n LEU 67 CO 0.26 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3lxm n GLY 68 N 1.31 0.77 3.93 -0.72 0.00 -0.20 -0.26 105.19 110.02 3lxm n GLY 68 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3lxm n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lxm s ALA 69 N -2.19 3.61 0.34 4.61 0.00 -0.75 -3.95 121.76 123.43 3lxm s ALA 69 Ca 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 3lxm s ALA 69 Cb 0.00 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.81 3lxm s ALA 69 CO 0.00 -0.13 0.65 -1.12 0.00 0.00 0.00 175.76 175.15 3lxm s SER 70 N -4.06 6.48 -0.11 0.00 0.01 -0.42 -3.95 113.70 111.65 3lxm s SER 70 Ca 0.42 0.90 0.02 0.00 1.31 0.00 0.00 55.95 58.61 3lxm s SER 70 Cb -0.10 -2.22 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 3lxm s SER 70 CO 0.39 -0.28 -0.19 -0.69 0.41 0.00 0.00 173.24 172.87 3lxm s VAL 71 N -2.21 2.51 0.05 3.43 1.01 -1.26 -1.16 120.40 122.78 3lxm s VAL 71 Ca 0.47 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3lxm s VAL 71 Cb -0.11 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3lxm s VAL 71 CO 0.30 0.55 -0.20 0.68 0.00 0.00 0.00 175.10 176.43 3lxm s VAL 72 N 0.29 1.62 -0.91 2.92 -7.23 -0.79 -4.97 120.40 111.33 3lxm s VAL 72 Ca -0.14 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 3lxm s VAL 72 Cb -0.17 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.36 3lxm s VAL 72 CO 0.07 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 3lxm n GLY 73 N 1.81 -0.87 3.08 2.32 0.00 -1.26 -0.05 105.19 110.21 3lxm n GLY 73 Ca -0.17 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 3lxm n GLY 73 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3lxm s PHE 74 N -3.00 -0.22 -2.11 1.61 -0.12 -0.37 -4.97 117.98 108.79 3lxm s PHE 74 Ca 0.00 0.55 0.23 0.00 -0.05 0.00 0.00 56.93 57.66 3lxm s PHE 74 Cb 0.00 0.07 0.12 0.00 -0.63 0.00 0.00 43.02 42.58 3lxm s PHE 74 CO 0.00 -0.11 1.17 -1.13 -0.05 0.00 0.00 175.22 175.10 3lxm n SER 75 N 3.05 2.01 -3.48 1.98 3.41 -1.26 -1.19 113.62 118.14 3lxm n SER 75 Ca -0.13 -1.49 -0.14 0.00 -0.26 0.00 0.00 58.87 56.84 3lxm n SER 75 Cb 0.58 0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 64.88 3lxm n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3lxm s ASP 76 N -2.43 -0.57 0.00 4.04 3.68 -0.95 -3.90 116.67 116.54 3lxm s ASP 76 Ca 0.20 0.30 0.00 0.00 2.13 0.00 0.00 52.55 55.18 3lxm s ASP 76 Cb 0.18 0.54 0.00 0.00 -1.45 0.00 0.00 42.92 42.19 3lxm s ASP 76 CO 0.54 -0.76 0.00 0.61 0.13 0.00 0.00 175.17 175.69 3lxm n GLY 86 N 0.19 0.18 3.76 2.66 0.00 -1.26 -4.61 105.19 106.12 3lxm n GLY 86 Ca -0.16 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.15 3lxm n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lxm s GLU 87 N -0.10 4.35 0.63 1.61 2.12 -1.26 -4.99 118.70 121.07 3lxm s GLU 87 Ca 0.00 2.21 -0.18 0.00 0.36 0.00 0.00 54.97 57.37 3lxm s GLU 87 Cb 0.00 -3.08 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 3lxm s GLU 87 CO 0.00 -0.22 1.24 0.95 -0.54 0.00 0.00 175.26 176.69 3lxm s THR 88 N -0.94 2.37 0.21 -1.70 -4.23 -1.26 -4.88 115.64 105.22 3lxm s THR 88 Ca 0.50 0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 61.16 3lxm s THR 88 Cb -0.40 -3.03 0.16 0.00 1.34 0.00 0.00 72.50 70.57 3lxm s THR 88 CO 0.51 -0.06 1.81 0.25 -0.54 0.00 0.00 174.62 176.59 3lxm h LEU 89 N 0.57 1.06 -0.61 4.79 5.85 -1.99 -1.96 115.31 123.00 3lxm h LEU 89 Ca -0.50 -0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.20 3lxm h LEU 89 Cb 1.31 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.98 3lxm h LEU 89 CO 0.54 0.90 0.13 0.00 -0.34 0.00 0.00 178.44 179.66 3lxm h ALA 90 N 1.20 0.73 -0.66 1.25 0.00 -1.95 -0.99 119.26 118.84 3lxm h ALA 90 Ca 0.28 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 3lxm h ALA 90 Cb 0.12 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3lxm h ALA 90 CO -0.03 -0.31 0.15 -0.44 0.00 0.00 0.00 179.25 178.62 3lxm h ASP 91 N 0.26 1.00 -0.46 0.00 5.19 -1.79 0.16 116.42 120.79 3lxm h ASP 91 Ca 0.32 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3lxm h ASP 91 Cb 0.49 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3lxm h ASP 91 CO -0.41 0.98 0.28 0.74 -3.12 0.00 0.00 179.24 177.71 3lxm h THR 92 N 0.98 1.14 0.00 0.35 2.02 -0.86 -2.30 112.91 114.23 3lxm h THR 92 Ca 0.20 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 3lxm h THR 92 Cb 0.37 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3lxm h THR 92 CO 0.00 0.14 -0.56 0.24 0.37 0.00 0.00 175.52 175.71 3lxm h MET 93 N 0.61 0.00 -0.83 6.66 2.86 -0.85 -1.58 114.93 121.80 3lxm h MET 93 Ca 0.16 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3lxm h MET 93 Cb -0.02 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3lxm h MET 93 CO -0.03 0.56 0.39 0.77 1.06 0.00 0.00 176.91 179.65 3lxm h SER 94 N 0.00 1.09 -0.03 1.22 0.02 -0.32 0.16 113.55 115.69 3lxm h SER 94 Ca -0.01 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3lxm h SER 94 Cb 1.17 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3lxm h SER 94 CO 0.07 0.93 -0.07 0.58 -1.14 0.00 0.00 176.83 177.19 3lxm h VAL 95 N 1.18 1.46 -0.16 2.27 2.07 -1.23 -3.24 116.25 118.60 3lxm h VAL 95 Ca 0.28 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 3lxm h VAL 95 Cb 0.13 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3lxm h VAL 95 CO -0.03 0.39 -0.15 0.40 0.02 0.00 0.00 177.57 178.20 3lxm h ILE 96 N -0.46 1.19 0.00 4.57 2.04 -1.12 -1.19 117.51 122.54 3lxm h ILE 96 Ca -0.00 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 3lxm h ILE 96 Cb 0.68 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3lxm h ILE 96 CO 0.02 0.27 -0.01 0.28 0.00 0.00 0.00 178.15 178.71 3lxm h SER 97 N 0.24 0.00 1.04 1.72 0.02 -0.76 -1.94 113.55 113.87 3lxm h SER 97 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3lxm h SER 97 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3lxm h SER 97 CO 0.03 0.01 -0.19 0.35 -1.14 0.00 0.00 176.83 175.89 3lxm n THR 98 N -3.16 0.24 -0.53 -2.27 -2.24 -0.45 -4.36 114.28 101.50 3lxm n THR 98 Ca -0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3lxm n THR 98 Cb 0.13 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 3lxm n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lxm n TYR 99 N -1.84 0.00 -4.39 4.78 4.11 -0.76 -5.05 117.16 114.00 3lxm n TYR 99 Ca 0.06 -0.05 -0.26 0.00 -0.00 0.00 0.00 57.90 57.65 3lxm n TYR 99 Cb 0.38 -0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.63 3lxm n TYR 99 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 3lxm s VAL 100 N -0.10 2.36 -0.22 -3.48 -7.23 -1.00 -4.94 120.40 105.79 3lxm s VAL 100 Ca 0.00 -1.96 0.21 0.00 -1.81 0.00 0.00 61.98 58.42 3lxm s VAL 100 Cb 0.00 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 3lxm s VAL 100 CO 0.00 -0.12 1.03 0.44 -0.31 0.00 0.00 175.10 176.14 3lxm h ASP 101 N 1.76 0.00 -4.99 4.85 3.32 -1.09 -3.46 116.42 116.81 3lxm h ASP 101 Ca -0.43 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 3lxm h ASP 101 Cb 1.25 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.69 3lxm h ASP 101 CO 0.71 0.14 0.22 0.00 -1.72 0.00 0.00 179.24 178.59 3lxm s ALA 102 N -3.25 -1.54 -0.08 3.45 0.00 -1.23 -3.93 121.76 115.18 3lxm s ALA 102 Ca -0.01 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 3lxm s ALA 102 Cb 0.09 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.11 3lxm s ALA 102 CO 0.79 -0.81 -0.04 0.42 0.00 0.00 0.00 175.76 176.12 3lxm s ILE 103 N -3.76 0.63 -0.22 0.00 1.01 0.02 -1.12 121.20 117.76 3lxm s ILE 103 Ca 0.03 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.47 3lxm s ILE 103 Cb -0.02 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3lxm s ILE 103 CO -0.10 0.29 0.27 -0.69 0.00 0.00 0.00 174.94 174.71 3lxm s VAL 104 N 1.61 5.29 -0.08 2.92 1.01 0.44 0.15 120.40 131.74 3lxm s VAL 104 Ca 0.01 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3lxm s VAL 104 Cb -0.13 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.67 3lxm s VAL 104 CO -0.05 0.30 -0.08 -0.32 0.00 0.00 0.00 175.10 174.96 3lxm s MET 105 N 1.16 1.39 -0.10 2.72 0.00 -0.23 -0.45 119.30 123.78 3lxm s MET 105 Ca 0.13 -0.25 0.03 0.00 0.00 0.00 0.00 55.69 55.60 3lxm s MET 105 Cb -0.14 -1.34 0.01 0.00 0.00 0.00 0.00 34.83 33.35 3lxm s MET 105 CO 0.06 -0.14 -0.20 0.50 0.00 0.00 0.00 175.02 175.24 3lxm s ARG 106 N 1.24 2.69 -0.06 4.11 6.06 -0.53 0.04 118.95 132.49 3lxm s ARG 106 Ca -0.04 -0.75 -0.03 0.00 -2.50 0.00 0.00 55.73 52.41 3lxm s ARG 106 Cb -0.14 -2.10 0.04 0.00 0.06 0.00 0.00 34.95 32.81 3lxm s ARG 106 CO -0.03 0.09 0.14 -1.58 -2.50 0.00 0.00 175.30 171.43 3lxm s HIS 107 N 0.56 -0.15 -0.57 5.12 2.46 -0.08 -0.82 115.29 121.80 3lxm s HIS 107 Ca -0.15 0.47 0.26 0.00 0.47 0.00 0.00 55.06 56.11 3lxm s HIS 107 Cb -0.17 -0.10 0.84 0.00 -0.13 0.00 0.00 32.58 33.03 3lxm s HIS 107 CO 0.05 -0.17 1.75 -1.00 -2.47 0.00 0.00 174.74 172.91 3lxm h PRO 108 N 7.27 0.00 0.00 2.88 0.13 -1.84 -2.94 132.00 137.50 3lxm h PRO 108 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 3lxm h PRO 108 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3lxm h PRO 108 CO 0.42 0.00 -1.07 1.04 -0.23 0.00 0.00 178.00 178.16 3lxm n GLN 109 N -2.41 0.03 -2.79 0.86 6.02 -1.26 -4.26 117.38 113.57 3lxm n GLN 109 Ca 0.04 0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.68 3lxm n GLN 109 Cb 0.38 -1.00 -0.07 0.00 1.02 0.00 0.00 30.24 30.57 3lxm n GLN 109 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3lxm s GLU 110 N -2.02 4.44 0.01 -1.09 0.41 -1.26 -4.08 118.70 115.10 3lxm s GLU 110 Ca -0.02 1.26 -0.25 0.00 -0.41 0.00 0.00 54.97 55.55 3lxm s GLU 110 Cb 0.00 -2.56 -0.05 0.00 -1.78 0.00 0.00 34.13 29.74 3lxm s GLU 110 CO 0.03 0.15 0.77 0.20 -0.49 0.00 0.00 175.26 175.92 3lxm s GLY 111 N -1.82 2.76 0.21 -1.39 0.00 -1.26 -1.00 107.32 104.81 3lxm s GLY 111 Ca 0.55 0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.60 3lxm s GLY 111 CO 0.20 1.18 1.47 0.00 0.00 0.00 0.00 173.10 175.95 3lxm h ALA 112 N 6.08 0.70 -0.14 3.20 0.00 -1.95 -3.08 119.26 124.07 3lxm h ALA 112 Ca -0.43 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 53.83 3lxm h ALA 112 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3lxm h ALA 112 CO 0.73 0.88 0.05 1.03 0.00 0.00 0.00 179.25 181.94 3lxm h SER 113 N 0.07 0.07 -0.83 0.00 0.87 -1.92 -0.30 113.55 111.50 3lxm h SER 113 Ca -0.02 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3lxm h SER 113 Cb 1.34 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.26 3lxm h SER 113 CO 0.11 0.06 0.45 0.03 -0.53 0.00 0.00 176.83 176.95 3lxm h ARG 114 N 0.12 1.17 -0.16 2.24 3.08 -1.98 -1.91 114.38 116.94 3lxm h ARG 114 Ca 0.06 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3lxm h ARG 114 Cb 0.02 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3lxm h ARG 114 CO -0.05 0.87 0.04 1.25 -1.07 0.00 0.00 179.97 181.01 3lxm h LEU 115 N 1.17 0.23 -0.69 3.04 5.85 -1.43 -3.30 115.31 120.18 3lxm h LEU 115 Ca 0.29 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 3lxm h LEU 115 Cb 0.04 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3lxm h LEU 115 CO -0.05 0.39 -0.48 0.00 -0.34 0.00 0.00 178.44 177.96 3lxm h ALA 116 N 0.85 0.87 0.00 1.25 0.00 -0.87 -2.88 119.26 118.48 3lxm h ALA 116 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3lxm h ALA 116 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3lxm h ALA 116 CO -0.00 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.09 3lxm h ALA 117 N 1.14 1.16 -0.00 0.00 0.00 -1.43 0.22 119.26 120.35 3lxm h ALA 117 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lxm h ALA 117 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3lxm h ALA 117 CO 0.08 -0.16 -0.52 1.04 0.00 0.00 0.00 179.25 179.70 3lxm n GLN 118 N -2.62 0.32 -4.85 0.00 6.02 -1.09 -4.91 117.38 110.25 3lxm n GLN 118 Ca -0.02 -0.21 -0.31 0.00 -0.01 0.00 0.00 57.00 56.46 3lxm n GLN 118 Cb 0.22 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.85 3lxm n GLN 118 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3lxm s PHE 119 N -2.83 2.43 0.73 1.08 0.08 0.07 -5.12 117.98 114.42 3lxm s PHE 119 Ca 0.15 -0.34 -0.11 0.00 0.12 0.00 0.00 56.93 56.74 3lxm s PHE 119 Cb 0.18 -1.44 0.03 0.00 -0.57 0.00 0.00 43.02 41.22 3lxm s PHE 119 CO 0.67 0.16 1.07 -1.54 -0.10 0.00 0.00 175.22 175.48 3lxm s SER 120 N -1.23 5.09 0.00 1.36 1.04 -1.26 -4.91 113.70 113.79 3lxm s SER 120 Ca 0.13 1.49 0.05 0.00 0.48 0.00 0.00 55.95 58.09 3lxm s SER 120 Cb -0.10 -2.32 0.19 0.00 0.10 0.00 0.00 66.02 63.89 3lxm s SER 120 CO 0.03 -1.61 1.14 0.61 0.98 0.00 0.00 173.24 174.39 3lxm n GLY 121 N -2.08 -0.53 0.27 7.32 0.00 -1.26 -3.80 105.19 105.10 3lxm n GLY 121 Ca 0.07 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3lxm n GLY 121 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3lxm h ASN 122 N 0.60 0.00 -4.16 1.61 2.35 -1.91 -2.95 115.58 111.12 3lxm h ASN 122 Ca 0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 3lxm h ASN 122 Cb 0.14 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.10 3lxm h ASN 122 CO 0.00 0.08 -0.64 -0.69 -1.65 0.00 0.00 177.43 174.53 3lxm s VAL 123 N -4.53 2.46 0.38 2.81 1.01 -1.25 -4.95 120.40 116.33 3lxm s VAL 123 Ca -0.04 -3.31 -0.27 0.00 0.00 0.00 0.00 61.98 58.35 3lxm s VAL 123 Cb 0.15 -2.70 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 3lxm s VAL 123 CO 0.60 -0.83 1.39 -2.84 0.00 0.00 0.00 175.10 173.42 3lxm s PRO 124 N -0.31 4.10 -0.23 2.72 0.02 -1.12 -4.73 135.00 135.44 3lxm s PRO 124 Ca 0.18 2.36 -0.07 0.00 0.02 0.00 0.00 61.00 63.49 3lxm s PRO 124 Cb -0.24 -2.91 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 3lxm s PRO 124 CO -0.01 -0.46 0.06 0.42 -0.33 0.00 0.00 177.00 176.68 3lxm s ILE 125 N -1.17 4.33 -0.26 2.83 1.01 -1.26 -0.80 121.20 125.89 3lxm s ILE 125 Ca 0.53 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.95 3lxm s ILE 125 Cb -0.42 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 3lxm s ILE 125 CO 0.56 0.37 0.06 -0.69 0.00 0.00 0.00 174.94 175.24 3lxm s VAL 126 N 1.37 4.16 -0.21 2.92 1.01 0.12 -1.12 120.40 128.66 3lxm s VAL 126 Ca 0.05 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 3lxm s VAL 126 Cb -0.15 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3lxm s VAL 126 CO 0.03 0.29 1.27 0.21 0.00 0.00 0.00 175.10 176.90 3lxm s ASN 127 N 1.58 6.86 0.00 3.32 2.47 -0.37 -1.07 114.94 127.73 3lxm s ASN 127 Ca 0.06 1.54 0.21 0.00 0.42 0.00 0.00 52.86 55.09 3lxm s ASN 127 Cb -0.15 -2.54 0.60 0.00 -1.45 0.00 0.00 41.25 37.71 3lxm s ASN 127 CO 0.03 -0.86 1.50 0.00 -3.72 0.00 0.00 177.10 174.05 3lxm n ALA 128 N 6.91 2.35 0.00 1.71 0.00 0.11 -4.25 120.51 127.35 3lxm n ALA 128 Ca 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.30 3lxm n ALA 128 Cb 0.45 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3lxm n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lxm n GLY 129 N 1.51 3.67 0.00 0.00 0.00 -1.24 -4.78 105.19 104.36 3lxm n GLY 129 Ca 0.23 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3lxm n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3lxm n ASP 130 N 0.00 1.30 0.25 1.61 5.75 -1.03 -0.91 116.55 123.52 3lxm n ASP 130 Ca 0.00 -0.91 0.10 0.00 -0.01 0.00 0.00 54.79 53.97 3lxm n ASP 130 Cb 0.00 0.00 0.64 0.00 -1.03 0.00 0.00 41.12 40.73 3lxm n ASP 130 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3lxm h GLY 131 N 0.00 0.00 -0.94 6.12 0.00 -0.87 -1.37 103.07 106.01 3lxm h GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3lxm h GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3lxm n ALA 132 N -2.32 2.51 -1.70 3.60 0.00 -1.26 -4.85 120.51 116.48 3lxm n ALA 132 Ca -0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 3lxm n ALA 132 Cb 0.27 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 3lxm n ALA 132 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3lxm n ASN 133 N 0.40 -4.43 -4.71 0.00 5.03 -0.52 -5.00 115.26 106.04 3lxm n ASN 133 Ca 0.16 0.20 -0.42 0.00 0.87 0.00 0.00 54.58 55.39 3lxm n ASN 133 Cb 0.34 -3.28 -0.03 0.00 -1.02 0.00 0.00 39.78 35.78 3lxm n ASN 133 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3lxm s GLN 134 N -3.68 4.52 -0.42 3.52 -1.52 -1.26 -4.62 119.66 116.19 3lxm s GLN 134 Ca 0.00 1.55 0.06 0.00 -1.95 0.00 0.00 55.36 55.02 3lxm s GLN 134 Cb 0.00 -3.41 0.22 0.00 -0.22 0.00 0.00 33.01 29.60 3lxm s GLN 134 CO 0.00 -0.10 0.54 1.58 -0.25 0.00 0.00 175.29 177.06 3lxm n HIS 135 N 3.81 -1.34 -0.02 0.91 -0.00 -1.26 -2.47 115.22 114.85 3lxm n HIS 135 Ca 0.07 -2.99 0.03 0.00 0.46 0.00 0.00 57.72 55.29 3lxm n HIS 135 Cb 0.49 0.31 0.40 0.00 -0.12 0.00 0.00 29.99 31.08 3lxm n HIS 135 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3lxm h PRO 136 N 4.59 0.58 0.00 1.57 0.13 -1.79 -2.18 132.00 134.90 3lxm h PRO 136 Ca 0.10 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.13 3lxm h PRO 136 Cb 0.93 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3lxm h PRO 136 CO 0.37 0.39 -0.27 1.79 -0.23 0.00 0.00 178.00 180.05 3lxm h THR 137 N 0.59 0.53 -0.26 1.56 1.35 -1.96 -0.31 112.91 114.41 3lxm h THR 137 Ca 0.16 -1.48 -0.01 0.00 -0.55 0.00 0.00 66.41 64.52 3lxm h THR 137 Cb -0.05 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3lxm h THR 137 CO -0.03 0.27 0.11 -0.61 -0.25 0.00 0.00 175.52 175.00 3lxm h GLN 138 N 0.00 0.39 -0.67 4.72 5.75 -1.78 -1.08 115.11 122.44 3lxm h GLN 138 Ca -0.00 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 3lxm h GLN 138 Cb 1.03 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 3lxm h GLN 138 CO 0.04 0.42 0.23 1.15 -2.65 0.00 0.00 178.83 178.01 3lxm h THR 139 N 0.28 1.25 -0.62 2.39 2.02 -1.42 -1.13 112.91 115.68 3lxm h THR 139 Ca 0.09 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3lxm h THR 139 Cb 0.17 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3lxm h THR 139 CO -0.01 0.32 0.40 -0.07 0.37 0.00 0.00 175.52 176.54 3lxm h LEU 140 N 0.97 0.72 -0.81 2.58 3.38 -0.99 0.23 115.31 121.39 3lxm h LEU 140 Ca 0.22 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 3lxm h LEU 140 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3lxm h LEU 140 CO -0.01 0.54 -0.48 0.17 0.09 0.00 0.00 178.44 178.75 3lxm h LEU 141 N 0.85 0.29 -0.16 1.67 -0.00 -0.98 -0.22 115.31 116.76 3lxm h LEU 141 Ca 0.23 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 3lxm h LEU 141 Cb -0.08 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.49 3lxm h LEU 141 CO -0.05 0.73 0.07 0.44 -0.00 0.00 0.00 178.44 179.63 3lxm h ASP 142 N 0.22 0.21 -0.41 0.17 3.32 -0.88 -1.18 116.42 117.87 3lxm h ASP 142 Ca 0.01 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 56.93 3lxm h ASP 142 Cb 0.93 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 3lxm h ASP 142 CO 0.08 0.30 0.24 -0.07 -1.72 0.00 0.00 179.24 178.07 3lxm h LEU 143 N 0.11 0.38 -0.94 1.55 3.38 -0.84 -1.28 115.31 117.68 3lxm h LEU 143 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3lxm h LEU 143 Cb 0.15 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3lxm h LEU 143 CO -0.01 0.28 0.61 0.15 0.09 0.00 0.00 178.44 179.56 3lxm h PHE 144 N 0.48 1.20 -0.52 1.13 3.57 -0.95 -0.60 116.94 121.26 3lxm h PHE 144 Ca 0.17 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3lxm h PHE 144 Cb 0.02 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 3lxm h PHE 144 CO -0.07 0.77 0.18 1.15 -2.23 0.00 0.00 178.31 178.10 3lxm h THR 145 N 1.28 1.23 -0.24 4.41 2.02 -0.87 0.93 112.91 121.67 3lxm h THR 145 Ca 0.34 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 3lxm h THR 145 Cb -0.12 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3lxm h THR 145 CO -0.07 0.28 0.08 0.40 0.37 0.00 0.00 175.52 176.57 3lxm h ILE 146 N 0.71 1.19 -0.53 3.11 2.04 -0.98 -1.94 117.51 121.10 3lxm h ILE 146 Ca 0.17 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3lxm h ILE 146 Cb 0.25 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3lxm h ILE 146 CO -0.01 0.19 0.31 -0.61 0.00 0.00 0.00 178.15 178.03 3lxm h GLN 147 N 0.22 0.74 0.13 2.37 4.15 -0.95 0.40 115.11 122.16 3lxm h GLN 147 Ca 0.08 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3lxm h GLN 147 Cb 0.23 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 3lxm h GLN 147 CO -0.00 0.55 -0.08 1.49 -1.93 0.00 0.00 178.83 178.86 3lxm h GLU 148 N 0.72 -0.19 0.00 1.69 4.81 -0.78 0.21 114.58 121.04 3lxm h GLU 148 Ca 0.19 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.27 3lxm h GLU 148 Cb 0.02 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3lxm h GLU 148 CO -0.03 -0.13 -0.81 1.79 -0.73 0.00 0.00 179.01 179.10 3lxm h THR 149 N -0.20 1.28 0.00 0.32 1.35 -1.24 -3.33 112.91 111.10 3lxm h THR 149 Ca -0.01 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 3lxm h THR 149 Cb 0.16 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3lxm h THR 149 CO 0.02 0.73 -1.19 0.00 -0.25 0.00 0.00 175.52 174.82 3lxm n GLN 150 N -3.27 1.02 -0.86 4.72 1.13 0.12 -5.00 117.38 115.24 3lxm n GLN 150 Ca 0.00 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 3lxm n GLN 150 Cb 0.85 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.84 3lxm n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3lxm n GLY 151 N 1.44 0.87 3.64 1.08 0.00 0.74 -4.98 105.19 107.98 3lxm n GLY 151 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 3lxm n GLY 151 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3lxm s ARG 152 N -0.14 0.85 0.00 1.61 1.70 -1.17 -4.98 118.95 116.83 3lxm s ARG 152 Ca 0.00 -0.42 0.05 0.00 -0.47 0.00 0.00 55.73 54.89 3lxm s ARG 152 Cb 0.00 0.32 0.11 0.00 -0.57 0.00 0.00 34.95 34.82 3lxm s ARG 152 CO 0.00 -0.39 0.99 1.28 -1.08 0.00 0.00 175.30 176.10 3lxm n LEU 153 N -0.37 2.14 -4.80 -1.89 4.77 -1.26 -4.10 117.00 111.48 3lxm n LEU 153 Ca -0.07 -1.71 -0.25 0.00 -0.03 0.00 0.00 56.01 53.96 3lxm n LEU 153 Cb 0.61 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3lxm n LEU 153 CO 0.12 0.52 -0.20 -1.81 -1.33 0.00 0.00 177.39 174.68 3lxm s ASP 154 N -0.83 5.51 -1.52 -1.43 1.01 -1.26 -4.60 116.67 113.54 3lxm s ASP 154 Ca 0.09 -0.17 -0.13 0.00 0.71 0.00 0.00 52.55 53.05 3lxm s ASP 154 Cb 0.05 -1.42 0.08 0.00 1.01 0.00 0.00 42.92 42.64 3lxm s ASP 154 CO 0.07 0.04 0.98 0.59 0.21 0.00 0.00 175.17 177.06 3lxm n ASN 155 N -0.60 -4.73 -4.71 0.27 4.13 0.60 -4.91 115.26 105.32 3lxm n ASN 155 Ca -0.08 -0.78 -0.35 0.00 1.68 0.00 0.00 54.58 55.05 3lxm n ASN 155 Cb 0.56 -3.91 -0.09 0.00 -1.54 0.00 0.00 39.78 34.80 3lxm n ASN 155 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3lxm s ILE 156 N -3.32 4.99 -0.41 2.41 -1.09 -1.26 -4.92 121.20 117.61 3lxm s ILE 156 Ca 0.64 0.03 -0.18 0.00 -2.23 0.00 0.00 60.65 58.91 3lxm s ILE 156 Cb -0.32 -3.22 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 3lxm s ILE 156 CO 0.83 0.51 0.49 0.20 -1.23 0.00 0.00 174.94 175.73 3lxm s ASN 157 N -0.07 6.23 -0.09 3.58 0.01 -1.26 -1.30 114.94 122.04 3lxm s ASN 157 Ca 0.08 -0.52 0.02 0.00 -0.71 0.00 0.00 52.86 51.73 3lxm s ASN 157 Cb -0.12 -2.25 0.01 0.00 0.41 0.00 0.00 41.25 39.31 3lxm s ASN 157 CO 0.01 -0.60 -0.14 -0.51 -1.51 0.00 0.00 177.10 174.34 3lxm s ILE 158 N 2.31 1.36 -0.08 0.60 2.07 -0.53 -0.71 121.20 126.23 3lxm s ILE 158 Ca 0.15 -0.58 -0.05 0.00 -1.41 0.00 0.00 60.65 58.76 3lxm s ILE 158 Cb -0.16 -1.25 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 3lxm s ILE 158 CO 0.15 0.41 0.14 0.00 -1.91 0.00 0.00 174.94 173.73 3lxm s ALA 159 N 0.85 3.86 -0.16 1.50 0.00 -0.51 -0.83 121.76 126.47 3lxm s ALA 159 Ca -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3lxm s ALA 159 Cb -0.15 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.10 3lxm s ALA 159 CO 0.01 0.66 -0.14 -1.64 0.00 0.00 0.00 175.76 174.66 3lxm s MET 160 N -1.35 2.29 -0.07 0.00 -1.94 -0.20 -0.31 119.30 117.71 3lxm s MET 160 Ca 0.19 -0.65 0.04 0.00 -1.71 0.00 0.00 55.69 53.56 3lxm s MET 160 Cb -0.12 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.50 3lxm s MET 160 CO 0.09 -0.28 -0.20 0.08 -0.01 0.00 0.00 175.02 174.70 3lxm s VAL 161 N 1.45 1.70 0.00 -6.03 1.01 -0.26 -1.57 120.40 116.70 3lxm s VAL 161 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3lxm s VAL 161 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3lxm s VAL 161 CO -0.10 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3lxm n GLY 162 N 3.38 0.13 3.42 4.51 0.00 -0.62 -0.54 105.19 115.47 3lxm n GLY 162 Ca -0.19 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 44.04 3lxm n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lxm s ASP 163 N -4.00 6.21 0.00 1.61 2.15 -1.26 -4.36 116.67 117.01 3lxm s ASP 163 Ca 0.00 -1.10 0.22 0.00 0.43 0.00 0.00 52.55 52.10 3lxm s ASP 163 Cb 0.00 -2.29 0.48 0.00 -0.30 0.00 0.00 42.92 40.81 3lxm s ASP 163 CO 0.00 -0.96 1.43 0.18 -0.17 0.00 0.00 175.17 175.65 3lxm n LEU 164 N 6.19 3.58 -0.12 -1.34 4.77 -0.60 -4.34 117.00 125.15 3lxm n LEU 164 Ca -0.08 -1.67 -0.25 0.00 -0.03 0.00 0.00 56.01 53.99 3lxm n LEU 164 Cb 0.44 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 3lxm n LEU 164 CO 0.55 0.82 -1.32 1.17 -1.33 0.00 0.00 177.39 177.27 3lxm n LYS 165 N 1.50 0.52 0.00 3.23 4.81 -0.97 -3.89 118.16 123.36 3lxm n LYS 165 Ca 0.20 0.21 0.10 0.00 -0.87 0.00 0.00 58.31 57.95 3lxm n LYS 165 Cb 0.60 -1.38 0.03 0.00 0.02 0.00 0.00 35.03 34.31 3lxm n LYS 165 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3lxm n TYR 166 N -3.96 0.00 -3.29 5.64 4.01 -1.26 -4.81 117.16 113.50 3lxm n TYR 166 Ca -0.47 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 56.86 3lxm n TYR 166 Cb 0.85 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.80 3lxm n TYR 166 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3lxm s GLY 167 N -1.97 1.85 0.36 2.72 0.00 -1.26 -4.96 107.32 104.06 3lxm s GLY 167 Ca 0.19 -1.16 0.14 0.00 0.00 0.00 0.00 44.72 43.88 3lxm s GLY 167 CO 0.39 1.20 1.80 -0.09 0.00 0.00 0.00 173.10 176.39 3lxm h ARG 168 N 8.54 0.00 -0.17 2.90 2.43 -1.87 -3.11 114.38 123.10 3lxm h ARG 168 Ca -0.28 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3lxm h ARG 168 Cb 1.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3lxm h ARG 168 CO 0.76 0.40 0.05 1.79 -1.51 0.00 0.00 179.97 181.46 3lxm h THR 169 N 0.00 1.08 -0.17 0.20 1.35 -1.93 -0.02 112.91 113.43 3lxm h THR 169 Ca -0.00 -0.28 -0.14 0.00 -0.55 0.00 0.00 66.41 65.43 3lxm h THR 169 Cb 0.74 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 3lxm h THR 169 CO 0.05 0.10 -0.50 0.58 -0.25 0.00 0.00 175.52 175.50 3lxm h VAL 170 N 0.24 1.33 -0.34 6.82 2.07 -1.92 -1.56 116.25 122.89 3lxm h VAL 170 Ca 0.06 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 3lxm h VAL 170 Cb 0.09 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3lxm h VAL 170 CO -0.00 0.53 0.01 0.45 0.02 0.00 0.00 177.57 178.57 3lxm h HIS 171 N 0.36 0.65 -0.38 1.57 -0.00 -1.13 -1.97 115.15 114.25 3lxm h HIS 171 Ca 0.02 -0.11 -0.11 0.00 -0.00 0.00 0.00 60.37 60.17 3lxm h HIS 171 Cb 1.01 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 3lxm h HIS 171 CO 0.03 0.70 -0.19 0.77 -0.00 0.00 0.00 177.93 179.24 3lxm h SER 172 N 0.41 0.74 -0.60 2.45 0.02 -1.09 -0.38 113.55 115.10 3lxm h SER 172 Ca 0.10 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3lxm h SER 172 Cb 0.44 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3lxm h SER 172 CO 0.02 0.93 0.28 0.25 -1.14 0.00 0.00 176.83 177.16 3lxm h LEU 173 N 0.65 0.79 -0.30 5.07 5.85 -1.19 -0.68 115.31 125.50 3lxm h LEU 173 Ca 0.10 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3lxm h LEU 173 Cb 0.68 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3lxm h LEU 173 CO 0.05 0.70 0.15 0.74 -0.34 0.00 0.00 178.44 179.75 3lxm h THR 174 N 0.81 1.14 -0.57 1.05 2.02 -1.03 0.25 112.91 116.59 3lxm h THR 174 Ca 0.20 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3lxm h THR 174 Cb 0.13 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3lxm h THR 174 CO -0.02 0.14 0.34 1.56 0.37 0.00 0.00 175.52 177.92 3lxm h GLN 175 N 0.35 0.77 -0.10 6.66 4.20 -0.84 -1.23 115.11 124.93 3lxm h GLN 175 Ca 0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3lxm h GLN 175 Cb 0.10 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3lxm h GLN 175 CO -0.01 0.56 0.03 0.00 -0.67 0.00 0.00 178.83 178.73 3lxm h ALA 176 N 1.17 0.13 0.00 3.87 0.00 -0.97 -2.93 119.26 120.54 3lxm h ALA 176 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3lxm h ALA 176 Cb -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3lxm h ALA 176 CO -0.04 -0.26 -0.04 -0.07 0.00 0.00 0.00 179.25 178.84 3lxm h LEU 177 N -0.02 0.00 0.00 0.00 3.38 -0.81 -1.36 115.31 116.49 3lxm h LEU 177 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3lxm h LEU 177 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3lxm h LEU 177 CO -0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3lxm n ALA 178 N -2.51 1.89 1.40 1.53 0.00 -0.48 -1.80 120.51 120.55 3lxm n ALA 178 Ca -0.03 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.47 3lxm n ALA 178 Cb 0.12 -1.26 0.54 0.00 0.00 0.00 0.00 19.45 18.85 3lxm n ALA 178 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3lxm n LYS 179 N -1.27 0.94 -3.88 0.00 5.02 -0.51 -4.88 118.16 113.58 3lxm n LYS 179 Ca 0.08 -0.44 -0.26 0.00 -2.02 0.00 0.00 58.31 55.67 3lxm n LYS 179 Cb 0.12 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 3lxm n LYS 179 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3lxm s PHE 180 N -2.36 1.80 0.03 2.13 0.08 -0.75 -4.87 117.98 114.04 3lxm s PHE 180 Ca 0.30 -0.79 0.03 0.00 0.12 0.00 0.00 56.93 56.59 3lxm s PHE 180 Cb 0.20 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3lxm s PHE 180 CO 0.46 -0.39 -0.04 -0.80 -0.10 0.00 0.00 175.22 174.35 3lxm s ASN 181 N -4.24 4.83 -0.27 1.36 0.02 -1.26 -4.69 114.94 110.70 3lxm s ASN 181 Ca 0.35 -0.14 0.00 0.00 -1.02 0.00 0.00 52.86 52.06 3lxm s ASN 181 Cb -0.02 -1.16 0.00 0.00 0.02 0.00 0.00 41.25 40.10 3lxm s ASN 181 CO 0.22 0.25 0.00 0.61 0.02 0.00 0.00 177.10 178.19 3lxm n GLY 182 N 1.20 0.54 3.78 0.66 0.00 -1.26 -0.29 105.19 109.83 3lxm n GLY 182 Ca -0.14 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 3lxm n GLY 182 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3lxm s ASN 183 N -2.32 7.13 -0.16 1.61 0.01 -1.26 -3.72 114.94 116.23 3lxm s ASN 183 Ca 0.00 1.90 0.00 0.00 -0.71 0.00 0.00 52.86 54.05 3lxm s ASN 183 Cb 0.00 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.11 3lxm s ASN 183 CO 0.00 -0.22 -0.12 -2.28 -1.51 0.00 0.00 177.10 172.97 3lxm s HIS 184 N -1.66 2.12 -0.15 2.20 5.65 -0.42 -3.70 115.29 119.32 3lxm s HIS 184 Ca 0.53 -1.24 -0.11 0.00 0.25 0.00 0.00 55.06 54.49 3lxm s HIS 184 Cb -0.19 -1.55 -0.05 0.00 -1.18 0.00 0.00 32.58 29.61 3lxm s HIS 184 CO 0.25 -0.67 0.20 -0.06 -0.65 0.00 0.00 174.74 173.81 3lxm s PHE 185 N 1.50 3.49 -0.30 3.88 0.08 -0.87 -1.45 117.98 124.32 3lxm s PHE 185 Ca 0.03 0.51 -0.03 0.00 0.12 0.00 0.00 56.93 57.57 3lxm s PHE 185 Cb -0.14 -2.18 0.04 0.00 -0.57 0.00 0.00 43.02 40.18 3lxm s PHE 185 CO -0.10 0.40 0.01 -0.06 -0.10 0.00 0.00 175.22 175.38 3lxm s PHE 186 N -0.04 3.23 -0.27 0.36 0.08 -0.01 -0.81 117.98 120.51 3lxm s PHE 186 Ca 0.13 -1.70 -0.10 0.00 0.12 0.00 0.00 56.93 55.38 3lxm s PHE 186 Cb -0.12 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 3lxm s PHE 186 CO 0.02 -0.77 0.16 -0.06 -0.10 0.00 0.00 175.22 174.47 3lxm s PHE 187 N 1.30 3.18 -0.35 0.36 0.08 -0.26 -1.03 117.98 121.26 3lxm s PHE 187 Ca -0.04 -0.06 0.03 0.00 0.12 0.00 0.00 56.93 56.98 3lxm s PHE 187 Cb -0.19 -2.34 0.10 0.00 -0.57 0.00 0.00 43.02 40.02 3lxm s PHE 187 CO -0.01 -0.23 0.08 0.42 -0.10 0.00 0.00 175.22 175.38 3lxm s ILE 188 N 1.71 1.96 0.05 0.64 1.01 -0.61 -1.16 121.20 124.80 3lxm s ILE 188 Ca 0.07 -2.19 -0.15 0.00 0.00 0.00 0.00 60.65 58.37 3lxm s ILE 188 Cb -0.16 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 39.89 3lxm s ILE 188 CO 0.09 -0.64 0.34 0.00 0.00 0.00 0.00 174.94 174.74 3lxm s ALA 189 N 0.98 -0.80 0.79 9.38 0.00 -1.26 -1.59 121.76 129.28 3lxm s ALA 189 Ca 0.11 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 3lxm s ALA 189 Cb -0.19 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.37 3lxm s ALA 189 CO -0.11 -0.45 1.10 -1.25 0.00 0.00 0.00 175.76 175.05 3lxm s PRO 190 N -2.68 2.04 0.31 0.00 0.04 -1.26 -4.82 135.00 128.63 3lxm s PRO 190 Ca -0.04 1.25 0.07 0.00 0.04 0.00 0.00 61.00 62.33 3lxm s PRO 190 Cb -0.00 -1.87 0.79 0.00 0.04 0.00 0.00 34.50 33.46 3lxm s PRO 190 CO -0.04 -1.82 1.77 -0.44 0.04 0.00 0.00 177.00 176.51 3lxm h ASP 191 N -1.22 0.75 0.89 6.66 3.32 -2.00 -0.55 116.42 124.26 3lxm h ASP 191 Ca -0.44 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3lxm h ASP 191 Cb 1.24 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3lxm h ASP 191 CO 0.50 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 178.26 3lxm h ALA 192 N 1.66 1.00 0.00 3.45 0.00 -2.01 -3.07 119.26 120.29 3lxm h ALA 192 Ca 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 3lxm h ALA 192 Cb 0.98 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3lxm h ALA 192 CO -0.39 0.00 -0.44 1.28 0.00 0.00 0.00 179.25 179.70 3lxm n LEU 193 N -2.38 2.57 -4.78 0.00 4.77 -0.24 -4.91 117.00 112.04 3lxm n LEU 193 Ca 0.02 -3.69 -0.41 0.00 -0.03 0.00 0.00 56.01 51.90 3lxm n LEU 193 Cb 0.27 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3lxm n LEU 193 CO 0.22 1.26 1.13 0.00 -1.33 0.00 0.00 177.39 178.68 3lxm s ALA 194 N -3.05 3.53 0.09 -1.18 0.00 -1.07 -1.55 121.76 118.53 3lxm s ALA 194 Ca 0.37 1.57 -0.36 0.00 0.00 0.00 0.00 51.96 53.53 3lxm s ALA 194 Cb 0.35 -3.61 -0.17 0.00 0.00 0.00 0.00 23.12 19.69 3lxm s ALA 194 CO -0.06 -1.09 1.19 -0.12 0.00 0.00 0.00 175.76 175.68 3lxm n MET 195 N 0.36 0.79 -1.29 0.00 1.56 -1.25 -3.98 117.12 113.30 3lxm n MET 195 Ca 0.02 0.28 -0.33 0.00 -0.27 0.00 0.00 57.70 57.40 3lxm n MET 195 Cb 0.39 -1.82 0.10 0.00 2.15 0.00 0.00 33.22 34.04 3lxm n MET 195 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 3lxm s PRO 196 N 0.08 2.05 0.49 2.12 0.02 -1.26 -4.84 135.00 133.67 3lxm s PRO 196 Ca 0.83 1.50 0.19 0.00 0.02 0.00 0.00 61.00 63.54 3lxm s PRO 196 Cb -1.01 -1.85 1.23 0.00 0.02 0.00 0.00 34.50 32.89 3lxm s PRO 196 CO 0.51 -1.85 2.06 0.00 -0.33 0.00 0.00 177.00 177.39 3lxm h ALA 197 N -0.77 1.63 -0.50 -1.55 0.00 -1.99 -1.54 119.26 114.53 3lxm h ALA 197 Ca -0.45 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 3lxm h ALA 197 Cb 1.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3lxm h ALA 197 CO 0.49 0.15 -0.01 0.10 0.00 0.00 0.00 179.25 179.98 3lxm h TYR 198 N 0.00 0.90 -0.10 0.00 -0.00 -2.00 -0.38 116.97 115.39 3lxm h TYR 198 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 58.73 58.55 3lxm h TYR 198 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 3lxm h TYR 198 CO 0.00 0.83 -0.12 0.82 -0.00 0.00 0.00 178.16 179.69 3lxm h ILE 199 N 0.78 1.37 -0.79 -0.90 1.08 -1.65 -3.09 117.51 114.30 3lxm h ILE 199 Ca 0.15 -1.30 -0.00 0.00 -0.39 0.00 0.00 64.86 63.32 3lxm h ILE 199 Cb 0.49 1.99 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 3lxm h ILE 199 CO 0.02 0.37 0.48 -0.07 -0.69 0.00 0.00 178.15 178.27 3lxm h LEU 200 N -0.15 0.94 -0.85 1.44 3.38 -1.14 -2.06 115.31 116.87 3lxm h LEU 200 Ca 0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3lxm h LEU 200 Cb 0.65 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3lxm h LEU 200 CO 0.03 0.71 0.14 -0.61 0.09 0.00 0.00 178.44 178.80 3lxm h GLN 201 N 1.08 1.00 -0.36 1.13 5.75 -1.13 -0.67 115.11 121.92 3lxm h GLN 201 Ca 0.28 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3lxm h GLN 201 Cb -0.06 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 3lxm h GLN 201 CO -0.05 0.90 0.17 1.98 -2.65 0.00 0.00 178.83 179.18 3lxm h MET 202 N 0.96 0.51 -0.75 1.69 4.05 -1.36 -0.28 114.93 119.75 3lxm h MET 202 Ca 0.20 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3lxm h MET 202 Cb 0.35 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 3lxm h MET 202 CO 0.00 0.46 0.47 -0.07 0.23 0.00 0.00 176.91 178.01 3lxm h LEU 203 N 0.44 0.88 -0.48 3.39 3.38 -0.95 -1.77 115.31 120.19 3lxm h LEU 203 Ca 0.12 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3lxm h LEU 203 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3lxm h LEU 203 CO -0.02 0.67 -0.12 -0.33 0.09 0.00 0.00 178.44 178.74 3lxm h GLU 204 N 1.02 0.93 -0.85 1.13 5.08 -0.98 0.15 114.58 121.07 3lxm h GLU 204 Ca 0.27 -0.36 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3lxm h GLU 204 Cb -0.07 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 3lxm h GLU 204 CO -0.05 1.02 0.51 0.93 -1.00 0.00 0.00 179.01 180.41 3lxm h GLU 205 N 0.79 0.87 -0.01 2.33 5.08 -0.73 -0.30 114.58 122.61 3lxm h GLU 205 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3lxm h GLU 205 Cb 0.67 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3lxm h GLU 205 CO 0.05 0.57 -0.05 1.63 -1.00 0.00 0.00 179.01 180.22 3lxm n LYS 206 N -4.67 1.11 -3.50 2.33 5.02 -0.69 -4.94 118.16 112.81 3lxm n LYS 206 Ca 0.13 -0.41 -0.21 0.00 -2.02 0.00 0.00 58.31 55.80 3lxm n LYS 206 Cb 0.23 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 3lxm n LYS 206 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3lxm n GLU 207 N -0.58 -7.30 -3.61 1.97 1.02 -0.07 -4.99 120.64 107.08 3lxm n GLU 207 Ca 0.19 0.82 -0.36 0.00 -0.02 0.00 0.00 57.16 57.78 3lxm n GLU 207 Cb 0.26 -5.79 -0.08 0.00 -0.02 0.00 0.00 31.44 25.81 3lxm n GLU 207 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3lxm s ILE 208 N -3.33 5.34 0.23 -3.67 1.01 0.33 -5.02 121.20 116.11 3lxm s ILE 208 Ca 0.36 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 3lxm s ILE 208 Cb -0.16 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 3lxm s ILE 208 CO 0.71 0.40 1.17 -0.70 0.00 0.00 0.00 174.94 176.52 3lxm s GLU 209 N 0.50 4.53 0.09 2.79 2.12 -1.24 -4.55 118.70 122.93 3lxm s GLU 209 Ca 0.13 1.88 -0.09 0.00 0.36 0.00 0.00 54.97 57.25 3lxm s GLU 209 Cb -0.12 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.06 3lxm s GLU 209 CO 0.02 0.01 0.21 1.52 -0.54 0.00 0.00 175.26 176.48 3lxm s TYR 210 N -0.56 0.11 0.00 5.30 -0.85 -1.26 -2.05 117.35 118.04 3lxm s TYR 210 Ca 0.49 -0.50 -0.15 0.00 -0.52 0.00 0.00 57.07 56.39 3lxm s TYR 210 Cb -0.33 -0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.01 3lxm s TYR 210 CO 0.40 -0.55 0.33 -1.54 -1.52 0.00 0.00 175.55 172.67 3lxm s SER 211 N -2.77 -0.19 -0.11 -0.18 1.04 0.01 -4.93 113.70 106.56 3lxm s SER 211 Ca 0.04 0.02 -0.06 0.00 0.48 0.00 0.00 55.95 56.43 3lxm s SER 211 Cb 0.04 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3lxm s SER 211 CO -0.10 -0.51 0.10 -0.76 0.98 0.00 0.00 173.24 172.94 3lxm s LEU 212 N -1.58 4.16 0.03 2.42 1.02 -1.26 -1.11 118.68 122.36 3lxm s LEU 212 Ca -0.10 0.38 0.02 0.00 0.02 0.00 0.00 54.13 54.44 3lxm s LEU 212 Cb -0.03 -2.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.16 3lxm s LEU 212 CO 0.02 0.40 -0.07 -1.00 0.02 0.00 0.00 176.35 175.72 3lxm s HIS 213 N -0.99 0.62 0.05 0.29 3.76 -0.31 -4.94 115.29 113.77 3lxm s HIS 213 Ca 0.15 -0.34 0.18 0.00 -0.15 0.00 0.00 55.06 54.89 3lxm s HIS 213 Cb -0.12 -0.38 0.47 0.00 1.11 0.00 0.00 32.58 33.67 3lxm s HIS 213 CO 0.04 -0.05 1.63 0.93 -0.85 0.00 0.00 174.74 176.44 3lxm h GLU 214 N 5.07 0.00 -3.80 1.40 5.08 -1.91 -3.36 114.58 117.06 3lxm h GLU 214 Ca -0.33 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 3lxm h GLU 214 Cb 1.20 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.27 3lxm h GLU 214 CO 0.44 0.42 -0.52 0.45 -1.00 0.00 0.00 179.01 178.79 3lxm s SER 215 N -6.42 0.18 0.23 1.42 0.15 -1.26 -4.84 113.70 103.16 3lxm s SER 215 Ca 0.02 -0.53 -0.05 0.00 0.70 0.00 0.00 55.95 56.08 3lxm s SER 215 Cb 0.10 0.23 0.23 0.00 -1.71 0.00 0.00 66.02 64.86 3lxm s SER 215 CO 0.70 -0.51 1.74 0.25 1.20 0.00 0.00 173.24 176.62 3lxm h LEU 216 N 3.66 0.93 -2.26 3.45 5.85 -1.91 -3.12 115.31 121.90 3lxm h LEU 216 Ca -0.32 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.23 3lxm h LEU 216 Cb 1.18 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3lxm h LEU 216 CO 0.50 0.93 0.21 -0.08 -0.34 0.00 0.00 178.44 179.67 3lxm h GLU 217 N 0.91 0.00 0.00 1.25 4.22 -1.96 -1.31 114.58 117.69 3lxm h GLU 217 Ca 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.58 3lxm h GLU 217 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3lxm h GLU 217 CO 0.01 0.00 -0.21 0.93 -2.18 0.00 0.00 179.01 177.56 3lxm h GLU 218 N 0.00 0.00 0.00 1.92 5.08 -1.98 -3.37 114.58 116.23 3lxm h GLU 218 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3lxm h GLU 218 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3lxm h GLU 218 CO -0.00 0.21 0.00 1.33 -1.00 0.00 0.00 179.01 179.55 3lxm n VAL 219 N -3.32 0.00 -0.31 3.13 0.24 -0.53 -4.83 118.33 112.72 3lxm n VAL 219 Ca 0.01 -0.36 0.10 0.00 -2.04 0.00 0.00 64.34 62.05 3lxm n VAL 219 Cb 0.45 1.19 0.27 0.00 -1.47 0.00 0.00 33.84 34.28 3lxm n VAL 219 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3lxm h VAL 220 N 0.19 0.65 -0.11 3.34 2.07 -1.64 -1.82 116.25 118.93 3lxm h VAL 220 Ca 0.00 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3lxm h VAL 220 Cb 0.09 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3lxm h VAL 220 CO 0.00 0.11 0.11 -0.65 0.02 0.00 0.00 177.57 177.16 3lxm h PRO 221 N 0.59 0.00 -0.16 1.57 0.11 -1.88 -2.49 132.00 129.74 3lxm h PRO 221 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3lxm h PRO 221 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3lxm h PRO 221 CO -0.42 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.52 3lxm n GLU 222 N -3.98 2.39 -2.87 1.05 0.28 -0.69 -4.04 120.64 112.78 3lxm n GLU 222 Ca -0.00 -2.05 -0.40 0.00 -0.16 0.00 0.00 57.16 54.55 3lxm n GLU 222 Cb 0.22 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.55 3lxm n GLU 222 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3lxm s LEU 223 N -1.82 4.61 -0.17 -1.84 1.43 -0.94 -4.73 118.68 115.22 3lxm s LEU 223 Ca 0.32 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 55.23 3lxm s LEU 223 Cb 0.21 -3.47 -0.22 0.00 0.03 0.00 0.00 46.19 42.74 3lxm s LEU 223 CO 0.31 0.18 0.16 0.47 0.23 0.00 0.00 176.35 177.69 3lxm n ASP 224 N 1.50 1.64 -4.01 2.29 8.00 0.11 -4.49 116.55 121.59 3lxm n ASP 224 Ca -0.04 0.09 -0.23 0.00 0.71 0.00 0.00 54.79 55.32 3lxm n ASP 224 Cb 0.48 -0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 41.06 3lxm n ASP 224 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3lxm s ILE 225 N -2.54 0.99 -0.36 0.53 -1.09 -0.87 -1.85 121.20 116.01 3lxm s ILE 225 Ca -0.23 -0.41 -0.01 0.00 -2.23 0.00 0.00 60.65 57.77 3lxm s ILE 225 Cb 0.08 -0.91 0.09 0.00 -1.58 0.00 0.00 42.46 40.14 3lxm s ILE 225 CO 0.73 0.32 0.11 -0.22 -1.23 0.00 0.00 174.94 174.64 3lxm s LEU 226 N 0.56 4.74 -0.42 2.97 2.96 -0.57 -1.42 118.68 127.51 3lxm s LEU 226 Ca -0.11 -1.86 -0.15 0.00 -0.22 0.00 0.00 54.13 51.80 3lxm s LEU 226 Cb -0.14 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.84 3lxm s LEU 226 CO 0.02 -0.42 0.31 -0.47 -1.32 0.00 0.00 176.35 174.47 3lxm s TYR 227 N 1.11 3.24 -0.17 5.38 5.04 0.57 -0.62 117.35 131.90 3lxm s TYR 227 Ca 0.05 -0.68 -0.17 0.00 -2.44 0.00 0.00 57.07 53.83 3lxm s TYR 227 Cb -0.21 -2.68 -0.04 0.00 0.35 0.00 0.00 41.96 39.38 3lxm s TYR 227 CO -0.04 -0.63 0.45 -1.64 -1.34 0.00 0.00 175.55 172.34 3lxm s MET 228 N 1.66 4.23 0.46 4.97 -1.94 -0.41 -1.10 119.30 127.17 3lxm s MET 228 Ca 0.05 0.33 -0.02 0.00 -1.71 0.00 0.00 55.69 54.33 3lxm s MET 228 Cb -0.20 -3.51 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 3lxm s MET 228 CO 0.09 0.00 0.71 0.95 -0.01 0.00 0.00 175.02 176.77 3lxm s THR 229 N 1.15 4.51 -1.23 2.05 -4.23 0.30 -4.25 115.64 113.94 3lxm s THR 229 Ca 0.22 -0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.36 3lxm s THR 229 Cb -0.15 -3.69 0.09 0.00 1.34 0.00 0.00 72.50 70.09 3lxm s THR 229 CO 0.09 -0.57 1.62 -0.60 -0.54 0.00 0.00 174.62 174.61 3lxm s ARG 230 N -4.62 3.93 0.00 3.99 3.52 -1.26 -4.79 118.95 119.72 3lxm s ARG 230 Ca 0.47 -1.96 0.00 0.00 -0.13 0.00 0.00 55.73 54.11 3lxm s ARG 230 Cb -0.10 -5.40 0.00 0.00 -1.56 0.00 0.00 34.95 27.89 3lxm s ARG 230 CO 0.41 -2.15 0.00 0.98 -0.81 0.00 0.00 175.30 173.73 3lxm n TYR 241 N 7.92 0.00 -0.03 5.12 9.36 -1.26 -4.62 117.16 133.65 3lxm n TYR 241 Ca 0.43 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.55 3lxm n TYR 241 Cb 0.46 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.13 3lxm n TYR 241 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3lxm h ALA 242 N 0.00 0.19 -0.73 2.98 0.00 -2.04 0.10 119.26 119.75 3lxm h ALA 242 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3lxm h ALA 242 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3lxm h ALA 242 CO 0.00 -0.30 0.25 -0.91 0.00 0.00 0.00 179.25 178.30 3lxm h ASN 243 N 0.16 1.04 0.05 0.00 2.35 -2.05 -0.80 115.58 116.34 3lxm h ASN 243 Ca 0.05 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3lxm h ASN 243 Cb 0.03 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.13 3lxm h ASN 243 CO -0.01 0.96 -0.02 0.58 -1.65 0.00 0.00 177.43 177.28 3lxm h VAL 244 N 1.07 1.13 0.72 2.81 2.07 -1.93 -1.14 116.25 120.98 3lxm h VAL 244 Ca 0.24 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3lxm h VAL 244 Cb 0.27 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3lxm h VAL 244 CO -0.01 0.15 -0.49 0.50 0.02 0.00 0.00 177.57 177.74 3lxm h LYS 245 N -0.33 -1.10 -0.87 1.57 3.64 -1.00 -2.56 116.57 115.92 3lxm h LYS 245 Ca -0.01 0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.58 3lxm h LYS 245 Cb 0.29 0.25 -0.14 0.00 -0.41 0.00 0.00 32.23 32.23 3lxm h LYS 245 CO 0.01 -0.74 -0.34 0.00 -2.27 0.00 0.00 179.45 176.11 3lxm n ALA 246 N -2.74 -0.11 0.97 5.00 0.00 -0.31 -1.93 120.51 121.39 3lxm n ALA 246 Ca -0.14 0.86 0.12 0.00 0.00 0.00 0.00 53.44 54.28 3lxm n ALA 246 Cb 0.49 -0.38 0.13 0.00 0.00 0.00 0.00 19.45 19.68 3lxm n ALA 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lxm n GLN 247 N -5.27 2.31 -0.06 0.00 10.64 -0.44 -4.32 117.38 120.23 3lxm n GLN 247 Ca 0.09 -1.91 0.03 0.00 -1.83 0.00 0.00 57.00 53.37 3lxm n GLN 247 Cb 0.35 -1.47 0.06 0.00 -0.86 0.00 0.00 30.24 28.32 3lxm n GLN 247 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3lxm n PHE 248 N 1.30 0.16 -2.24 2.61 3.01 -0.81 -4.93 117.46 116.55 3lxm n PHE 248 Ca 0.15 -0.37 -0.41 0.00 1.01 0.00 0.00 57.45 57.82 3lxm n PHE 248 Cb 0.59 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 40.00 3lxm n PHE 248 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3lxm s ILE 249 N -0.85 3.16 -0.13 4.37 1.01 -1.05 -4.91 121.20 122.80 3lxm s ILE 249 Ca 0.09 1.03 -0.15 0.00 0.00 0.00 0.00 60.65 61.62 3lxm s ILE 249 Cb 0.05 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3lxm s ILE 249 CO 0.07 0.19 0.37 -0.22 0.00 0.00 0.00 174.94 175.35 3lxm s LEU 250 N -0.71 4.28 0.23 2.97 2.96 0.12 -4.99 118.68 123.55 3lxm s LEU 250 Ca 0.53 0.67 0.10 0.00 -0.22 0.00 0.00 54.13 55.21 3lxm s LEU 250 Cb -0.36 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 3lxm s LEU 250 CO 0.42 0.09 -0.18 -0.13 -1.32 0.00 0.00 176.35 175.23 3lxm s ARG 251 N 0.35 1.48 0.47 1.98 0.52 -1.26 -1.33 118.95 121.16 3lxm s ARG 251 Ca 0.21 -1.63 0.13 0.00 -0.52 0.00 0.00 55.73 53.92 3lxm s ARG 251 Cb -0.14 -1.48 1.10 0.00 0.52 0.00 0.00 34.95 34.96 3lxm s ARG 251 CO 0.07 0.27 2.10 0.66 0.02 0.00 0.00 175.30 178.42 3lxm h SER 252 N 2.59 0.20 -0.56 0.23 4.64 -1.90 -0.91 113.55 117.84 3lxm h SER 252 Ca -0.40 -0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.01 3lxm h SER 252 Cb 1.23 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3lxm h SER 252 CO 0.58 0.15 0.38 0.28 -0.87 0.00 0.00 176.83 177.35 3lxm h SER 253 N 0.24 0.34 0.45 4.97 0.02 -1.96 -0.69 113.55 116.92 3lxm h SER 253 Ca 0.09 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3lxm h SER 253 Cb 0.06 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3lxm h SER 253 CO -0.02 0.21 0.00 0.47 -1.14 0.00 0.00 176.83 176.35 3lxm n ASP 254 N -4.47 0.64 -1.37 3.07 8.00 -0.35 -2.93 116.55 119.15 3lxm n ASP 254 Ca 0.09 0.71 0.10 0.00 0.71 0.00 0.00 54.79 56.40 3lxm n ASP 254 Cb 0.36 -0.82 0.32 0.00 -0.02 0.00 0.00 41.12 40.96 3lxm n ASP 254 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3lxm n LEU 255 N -2.26 4.16 -4.77 0.64 4.77 -0.27 -4.89 117.00 114.39 3lxm n LEU 255 Ca 0.01 -2.18 -0.39 0.00 -0.03 0.00 0.00 56.01 53.42 3lxm n LEU 255 Cb 0.16 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 3lxm n LEU 255 CO 0.16 0.90 0.77 0.42 -1.33 0.00 0.00 177.39 178.31 3lxm s THR 256 N -1.33 3.56 0.00 -5.08 -4.23 -1.15 -3.07 115.64 104.35 3lxm s THR 256 Ca 0.47 1.44 0.00 0.00 -1.18 0.00 0.00 61.69 62.42 3lxm s THR 256 Cb 0.27 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.25 3lxm s THR 256 CO 0.28 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 3lxm n GLY 257 N 0.91 0.65 3.85 3.99 0.00 -1.26 -4.86 105.19 108.47 3lxm n GLY 257 Ca 0.01 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3lxm n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lxm s ALA 258 N -2.00 3.05 0.47 4.61 0.00 -1.17 -4.13 121.76 122.58 3lxm s ALA 258 Ca 0.00 0.07 -0.24 0.00 0.00 0.00 0.00 51.96 51.79 3lxm s ALA 258 Cb 0.00 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 3lxm s ALA 258 CO 0.00 -0.51 1.36 1.03 0.00 0.00 0.00 175.76 177.63 3lxm s ARG 259 N -4.61 3.60 0.00 0.00 0.52 -1.26 -4.92 118.95 112.28 3lxm s ARG 259 Ca 0.57 2.25 0.24 0.00 -0.52 0.00 0.00 55.73 58.27 3lxm s ARG 259 Cb -0.11 -2.54 1.08 0.00 0.52 0.00 0.00 34.95 33.90 3lxm s ARG 259 CO 0.43 -0.83 1.77 -0.40 0.02 0.00 0.00 175.30 176.29 3lxm n ASP 260 N -0.39 0.00 -0.61 0.23 5.75 -1.26 -1.93 116.55 118.34 3lxm n ASP 260 Ca 0.06 0.32 0.13 0.00 -0.01 0.00 0.00 54.79 55.30 3lxm n ASP 260 Cb 0.44 -0.43 0.36 0.00 -1.03 0.00 0.00 41.12 40.45 3lxm n ASP 260 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3lxm n ASN 261 N -1.43 1.96 -4.71 -1.12 6.94 -1.26 -4.97 115.26 110.67 3lxm n ASN 261 Ca 0.08 -1.61 -0.43 0.00 -0.02 0.00 0.00 54.58 52.59 3lxm n ASN 261 Cb 0.25 0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.67 3lxm n ASN 261 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3lxm n LEU 262 N 0.47 3.71 -4.15 -4.53 7.94 -0.81 -4.89 117.00 114.75 3lxm n LEU 262 Ca 0.16 1.12 -0.28 0.00 -1.11 0.00 0.00 56.01 55.90 3lxm n LEU 262 Cb 0.44 -1.51 -0.16 0.00 0.53 0.00 0.00 43.42 42.71 3lxm n LEU 262 CO 0.17 -0.10 -0.52 -0.54 -1.11 0.00 0.00 177.39 175.30 3lxm s LYS 263 N 0.12 2.22 -0.24 1.96 -0.14 -0.77 -4.46 119.74 118.43 3lxm s LYS 263 Ca 0.70 -0.68 -0.16 0.00 -1.36 0.00 0.00 55.97 54.47 3lxm s LYS 263 Cb -0.57 -1.81 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 3lxm s LYS 263 CO 0.44 0.20 0.40 0.08 -0.76 0.00 0.00 175.35 175.71 3lxm s VAL 264 N 0.24 5.17 0.22 3.17 1.01 0.40 -1.51 120.40 129.09 3lxm s VAL 264 Ca -0.10 0.68 0.09 0.00 0.00 0.00 0.00 61.98 62.65 3lxm s VAL 264 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3lxm s VAL 264 CO 0.05 0.19 -0.07 -0.76 0.00 0.00 0.00 175.10 174.50 3lxm s LEU 265 N 1.77 3.01 -0.29 3.92 1.02 0.21 -1.35 118.68 126.97 3lxm s LEU 265 Ca 0.18 -0.64 -0.15 0.00 0.02 0.00 0.00 54.13 53.54 3lxm s LEU 265 Cb -0.15 -1.63 0.11 0.00 0.02 0.00 0.00 46.19 44.54 3lxm s LEU 265 CO 0.09 0.07 0.80 -2.28 0.02 0.00 0.00 176.35 175.04 3lxm s HIS 266 N -1.97 -0.91 0.26 0.29 2.46 -1.26 -1.29 115.29 112.87 3lxm s HIS 266 Ca 0.27 1.77 0.37 0.00 0.47 0.00 0.00 55.06 57.94 3lxm s HIS 266 Cb -0.08 0.55 1.73 0.00 -0.13 0.00 0.00 32.58 34.65 3lxm s HIS 266 CO 0.17 -0.45 2.10 -1.00 -2.47 0.00 0.00 174.74 173.08 3lxm h PRO 267 N 6.86 0.00 -0.31 2.88 0.13 -1.95 -3.46 132.00 136.14 3lxm h PRO 267 Ca -0.27 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.88 3lxm h PRO 267 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3lxm h PRO 267 CO 0.16 0.00 -0.10 1.28 -0.23 0.00 0.00 178.00 179.11 3lxm n LEU 268 N -3.00 -0.12 -4.84 1.56 4.77 -1.26 -5.01 117.00 109.10 3lxm n LEU 268 Ca -0.01 0.23 -0.32 0.00 -0.03 0.00 0.00 56.01 55.88 3lxm n LEU 268 Cb 0.20 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3lxm n LEU 268 CO 0.23 -0.12 0.69 -2.16 -1.33 0.00 0.00 177.39 174.70 3lxm s PRO 269 N -3.66 3.83 -0.17 3.23 0.04 -1.26 -5.02 135.00 131.99 3lxm s PRO 269 Ca 0.00 0.98 -0.09 0.00 0.04 0.00 0.00 61.00 61.93 3lxm s PRO 269 Cb 0.00 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3lxm s PRO 269 CO 0.00 -0.37 0.13 -0.98 0.04 0.00 0.00 177.00 175.82 3lxm s ARG 270 N -4.13 3.94 -0.00 4.56 1.04 -1.26 -4.87 118.95 118.22 3lxm s ARG 270 Ca 0.59 -0.19 -0.00 0.00 -1.04 0.00 0.00 55.73 55.09 3lxm s ARG 270 Cb -0.11 -3.34 -0.00 0.00 -2.04 0.00 0.00 34.95 29.46 3lxm s ARG 270 CO 0.33 0.46 -0.00 -0.89 -0.04 0.00 0.00 175.30 175.16 3lxm n ILE 271 N 3.01 0.04 0.05 4.99 5.41 -1.26 -4.93 119.36 126.67 3lxm n ILE 271 Ca -0.17 0.24 0.01 0.00 1.00 0.00 0.00 62.75 63.83 3lxm n ILE 271 Cb 0.53 -1.26 -0.00 0.00 -0.71 0.00 0.00 39.64 38.19 3lxm n ILE 271 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3lxm n ASP 272 N -2.54 0.47 0.19 4.38 8.00 -1.26 -4.68 116.55 121.11 3lxm n ASP 272 Ca -0.00 -0.74 0.03 0.00 0.71 0.00 0.00 54.79 54.80 3lxm n ASP 272 Cb 0.01 0.60 0.37 0.00 -0.02 0.00 0.00 41.12 42.08 3lxm n ASP 272 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3lxm h GLU 273 N 0.10 0.00 -4.32 -1.24 3.07 -1.92 -3.41 114.58 106.86 3lxm h GLU 273 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 3lxm h GLU 273 Cb 0.04 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 27.58 3lxm h GLU 273 CO 0.00 0.37 -0.80 0.42 -1.40 0.00 0.00 179.01 177.60 3lxm s ILE 274 N -4.07 1.26 0.65 3.13 1.01 -1.26 0.15 121.20 122.06 3lxm s ILE 274 Ca -0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 3lxm s ILE 274 Cb 0.14 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 3lxm s ILE 274 CO 0.71 0.23 1.15 0.42 0.00 0.00 0.00 174.94 177.45 3lxm s THR 275 N 1.58 2.95 0.12 2.92 -4.23 -0.44 -4.90 115.64 113.66 3lxm s THR 275 Ca 0.02 0.49 0.34 0.00 -1.18 0.00 0.00 61.69 61.36 3lxm s THR 275 Cb -0.15 -3.06 0.36 0.00 1.34 0.00 0.00 72.50 71.00 3lxm s THR 275 CO -0.08 -0.23 2.01 0.71 -0.54 0.00 0.00 174.62 176.49 3lxm h THR 276 N 0.27 0.00 0.00 3.99 1.35 -1.96 -2.46 112.91 114.10 3lxm h THR 276 Ca -0.48 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3lxm h THR 276 Cb 1.27 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3lxm h THR 276 CO 0.54 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 173.57 3lxm h ASP 277 N 0.00 0.00 1.15 5.36 3.04 -1.94 -1.88 116.42 122.14 3lxm h ASP 277 Ca 0.00 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 3lxm h ASP 277 Cb 0.28 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.57 3lxm h ASP 277 CO 0.00 0.00 -0.26 0.58 -2.04 0.00 0.00 179.24 177.52 3lxm h VAL 278 N 0.00 0.55 -0.18 4.15 2.07 -1.78 -3.31 116.25 117.74 3lxm h VAL 278 Ca 0.00 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3lxm h VAL 278 Cb 0.42 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3lxm h VAL 278 CO 0.00 0.25 0.03 0.44 0.02 0.00 0.00 177.57 178.32 3lxm h ASP 279 N 0.00 0.23 0.33 0.57 3.32 -1.51 -1.19 116.42 118.17 3lxm h ASP 279 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3lxm h ASP 279 Cb 0.90 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3lxm h ASP 279 CO 0.03 0.25 -0.24 0.29 -1.72 0.00 0.00 179.24 177.86 3lxm n LYS 280 N -4.42 0.65 -1.52 3.56 4.76 -1.24 -4.77 118.16 115.18 3lxm n LYS 280 Ca -0.00 -0.34 -0.30 0.00 -2.87 0.00 0.00 58.31 54.80 3lxm n LYS 280 Cb 0.15 -1.49 0.09 0.00 -1.84 0.00 0.00 35.03 31.93 3lxm n LYS 280 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3lxm s THR 281 N -2.58 3.21 -0.66 -0.18 -4.23 -0.45 -4.92 115.64 105.83 3lxm s THR 281 Ca 0.23 0.39 0.21 0.00 -1.18 0.00 0.00 61.69 61.35 3lxm s THR 281 Cb 0.19 -3.11 0.21 0.00 1.34 0.00 0.00 72.50 71.13 3lxm s THR 281 CO 0.53 -0.51 1.64 -0.81 -0.54 0.00 0.00 174.62 174.92 3lxm n PRO 282 N -3.42 0.13 0.10 3.99 -0.04 -1.26 -3.23 135.00 131.27 3lxm n PRO 282 Ca 0.07 0.36 0.07 0.00 -0.04 0.00 0.00 63.50 63.96 3lxm n PRO 282 Cb 0.56 -1.75 -0.00 0.00 -0.04 0.00 0.00 33.50 32.27 3lxm n PRO 282 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3lxm h TYR 283 N 0.00 0.00 -2.56 0.54 0.05 -1.87 -3.47 116.97 109.66 3lxm h TYR 283 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 3lxm h TYR 283 Cb 0.34 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.11 3lxm h TYR 283 CO 0.00 0.24 1.10 0.00 -1.05 0.00 0.00 178.16 178.45 3lxm s ALA 284 N -3.16 3.72 0.00 3.88 0.00 -1.20 -0.46 121.76 124.54 3lxm s ALA 284 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3lxm s ALA 284 Cb 0.08 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3lxm s ALA 284 CO 0.78 -1.24 0.84 0.98 0.00 0.00 0.00 175.76 177.12 3lxm n TYR 285 N 5.94 0.00 0.02 0.00 9.36 -0.46 -4.85 117.16 127.18 3lxm n TYR 285 Ca 0.17 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.34 3lxm n TYR 285 Cb 0.39 -0.01 0.13 0.00 -0.63 0.00 0.00 39.34 39.22 3lxm n TYR 285 CO 0.00 0.00 0.00 0.10 0.22 0.00 0.00 176.86 177.18 3lxm h TYR 286 N 0.00 0.56 -0.14 2.98 -0.00 -1.84 -0.07 116.97 118.46 3lxm h TYR 286 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 58.73 58.36 3lxm h TYR 286 Cb 1.28 -0.12 0.01 0.00 0.00 0.00 0.00 36.73 37.90 3lxm h TYR 286 CO 0.05 0.82 -0.75 0.74 -0.00 0.00 0.00 178.16 179.02 3lxm h PHE 287 N 0.39 0.94 -0.54 0.10 0.04 -1.91 -1.74 116.94 114.21 3lxm h PHE 287 Ca 0.03 -0.41 -0.08 0.00 2.80 0.00 0.00 57.97 60.31 3lxm h PHE 287 Cb 0.90 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 3lxm h PHE 287 CO 0.03 1.22 -0.00 1.96 -0.60 0.00 0.00 178.31 180.92 3lxm h GLN 288 N 0.48 0.92 -0.09 1.51 7.50 -1.90 -0.06 115.11 123.47 3lxm h GLN 288 Ca -0.04 -0.27 0.03 0.00 0.50 0.00 0.00 58.65 58.87 3lxm h GLN 288 Cb 1.36 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 28.76 3lxm h GLN 288 CO 0.15 0.91 -0.10 0.37 -1.50 0.00 0.00 178.83 178.66 3lxm h GLN 289 N 0.85 -0.12 -0.73 1.46 4.15 -0.95 0.03 115.11 119.79 3lxm h GLN 289 Ca 0.16 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.63 3lxm h GLN 289 Cb 0.50 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 3lxm h GLN 289 CO 0.02 -0.08 0.45 0.00 -1.93 0.00 0.00 178.83 177.29 3lxm h ALA 290 N 0.93 0.98 -0.45 3.38 0.00 -0.66 -1.34 119.26 122.08 3lxm h ALA 290 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3lxm h ALA 290 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3lxm h ALA 290 CO -0.17 0.20 0.30 0.78 0.00 0.00 0.00 179.25 180.37 3lxm h GLY 291 N 0.85 0.60 2.00 0.00 0.00 -0.30 -0.42 103.07 105.80 3lxm h GLY 291 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3lxm h GLY 291 CO -0.14 0.20 0.00 3.43 0.00 0.00 0.00 176.54 180.03 3lxm h ASN 292 N 0.55 0.00 -0.62 0.19 2.35 0.17 -2.36 115.58 115.86 3lxm h ASN 292 Ca 0.18 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.00 3lxm h ASN 292 Cb 0.04 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 3lxm h ASN 292 CO -0.04 0.00 0.41 1.23 -1.65 0.00 0.00 177.43 177.38 3lxm h GLY 293 N 1.38 0.74 0.71 2.83 0.00 -0.96 -1.64 103.07 106.13 3lxm h GLY 293 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.15 3lxm h GLY 293 CO 0.00 0.17 0.26 -2.22 0.00 0.00 0.00 176.54 174.75 3lxm h ILE 294 N 0.57 0.95 0.12 2.60 1.08 -1.58 -0.18 117.51 121.08 3lxm h ILE 294 Ca 0.27 -0.17 -0.28 0.00 -0.39 0.00 0.00 64.86 64.29 3lxm h ILE 294 Cb 0.33 0.40 0.02 0.00 -3.07 0.00 0.00 36.82 34.49 3lxm h ILE 294 CO -0.08 0.09 -1.22 -0.26 -0.69 0.00 0.00 178.15 176.00 3lxm h PHE 295 N 0.51 0.76 -0.55 1.37 0.04 -1.58 -0.17 116.94 117.31 3lxm h PHE 295 Ca 0.23 -0.50 -0.07 0.00 2.80 0.00 0.00 57.97 60.43 3lxm h PHE 295 Cb 0.14 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 3lxm h PHE 295 CO -0.10 1.36 0.07 0.00 -0.60 0.00 0.00 178.31 179.03 3lxm h ALA 296 N 0.46 0.73 -0.05 2.45 0.00 -1.20 -1.85 119.26 119.80 3lxm h ALA 296 Ca -0.16 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.26 3lxm h ALA 296 Cb 1.90 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.49 3lxm h ALA 296 CO 0.22 0.50 -0.89 0.00 0.00 0.00 0.00 179.25 179.08 3lxm h ARG 297 N 0.81 0.58 -0.60 0.00 3.08 -0.99 -2.48 114.38 114.78 3lxm h ARG 297 Ca 0.16 -0.55 0.04 0.00 0.07 0.00 0.00 59.98 59.70 3lxm h ARG 297 Cb 0.45 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 3lxm h ARG 297 CO 0.02 1.17 0.35 1.96 -1.07 0.00 0.00 179.97 182.40 3lxm h GLN 298 N 0.36 0.66 -0.55 0.04 4.20 -1.00 -1.99 115.11 116.83 3lxm h GLN 298 Ca -0.08 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3lxm h GLN 298 Cb 1.51 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 29.11 3lxm h GLN 298 CO 0.17 0.44 0.35 0.00 -0.67 0.00 0.00 178.83 179.12 3lxm h ALA 299 N 1.28 0.70 -0.20 3.87 0.00 -1.21 0.19 119.26 123.89 3lxm h ALA 299 Ca 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3lxm h ALA 299 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3lxm h ALA 299 CO -0.12 0.11 0.05 -0.07 0.00 0.00 0.00 179.25 179.22 3lxm h LEU 300 N 0.72 0.30 -0.82 0.00 3.38 -1.21 -0.47 115.31 117.19 3lxm h LEU 300 Ca 0.21 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3lxm h LEU 300 Cb -0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3lxm h LEU 300 CO -0.06 0.44 0.36 -0.07 0.09 0.00 0.00 178.44 179.20 3lxm h LEU 301 N 0.14 1.12 -0.11 1.67 3.38 -1.04 -1.51 115.31 118.96 3lxm h LEU 301 Ca 0.06 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3lxm h LEU 301 Cb 0.26 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3lxm h LEU 301 CO -0.00 0.97 0.05 0.00 0.09 0.00 0.00 178.44 179.55 3lxm h ALA 302 N 1.19 0.13 -0.58 1.53 0.00 -0.39 -2.51 119.26 118.64 3lxm h ALA 302 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3lxm h ALA 302 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3lxm h ALA 302 CO -0.03 -0.40 0.04 -0.07 0.00 0.00 0.00 179.25 178.79 3lxm h LEU 303 N 0.12 0.97 -0.82 0.00 3.38 -0.80 -1.07 115.31 117.09 3lxm h LEU 303 Ca 0.04 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3lxm h LEU 303 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3lxm h LEU 303 CO -0.03 1.02 -0.21 -0.37 0.09 0.00 0.00 178.44 178.94 3lxm h VAL 304 N 0.88 0.45 -0.00 1.22 -1.51 -1.27 -3.21 116.25 112.81 3lxm h VAL 304 Ca 0.17 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 3lxm h VAL 304 Cb 0.50 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 3lxm h VAL 304 CO 0.02 0.20 -0.80 0.18 -1.23 0.00 0.00 177.57 175.95 3lxm n LEU 305 N -3.28 0.93 -4.03 4.19 4.77 -0.95 -1.00 117.00 117.64 3lxm n LEU 305 Ca 0.01 -0.52 -0.30 0.00 -0.03 0.00 0.00 56.01 55.17 3lxm n LEU 305 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 3lxm n LEU 305 CO 0.34 0.22 -0.49 0.20 -1.33 0.00 0.00 177.39 176.33 3lxm s ASN 306 N -2.63 2.67 0.06 -1.43 0.01 -0.41 -4.98 114.94 108.22 3lxm s ASN 306 Ca 0.08 -0.48 -0.25 0.00 -0.71 0.00 0.00 52.86 51.49 3lxm s ASN 306 Cb 0.14 -1.18 -0.16 0.00 0.41 0.00 0.00 41.25 40.45 3lxm s ASN 306 CO 0.71 -0.04 1.61 0.00 -1.51 0.00 0.00 177.10 177.87 3lxm h ALA 307 N 7.92 -0.16 -2.83 0.60 0.00 -1.87 -3.42 119.26 119.50 3lxm h ALA 307 Ca -0.37 -0.08 -0.65 0.00 0.00 0.00 0.00 54.91 53.81 3lxm h ALA 307 Cb 1.14 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 3lxm h ALA 307 CO 0.53 -0.54 -0.48 -1.83 0.00 0.00 0.00 179.25 176.92 3lxm s GLU 308 N -5.76 3.67 -0.23 0.00 1.03 -1.26 0.42 118.70 116.57 3lxm s GLU 308 Ca -0.14 -0.16 -0.03 0.00 0.03 0.00 0.00 54.97 54.67 3lxm s GLU 308 Cb 0.05 -3.26 0.08 0.00 -0.80 0.00 0.00 34.13 30.19 3lxm s GLU 308 CO 0.65 0.63 0.08 -1.17 -1.33 0.00 0.00 175.26 174.12 3lxm s LEU 309 N -0.60 1.00 0.00 1.83 2.96 -1.26 -4.99 118.68 117.62 3lxm s LEU 309 Ca 0.13 -1.04 0.12 0.00 -0.22 0.00 0.00 54.13 53.12 3lxm s LEU 309 Cb -0.12 -0.49 0.09 0.00 0.50 0.00 0.00 46.19 46.17 3lxm s LEU 309 CO 0.02 -0.37 0.87 0.00 -1.32 0.00 0.00 176.35 175.55