#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 3.99 0.57 0.00 2.20 0.11 -4.86 114.94 116.95 3lxm s ASN 3 Ca 0.00 2.19 0.38 0.00 -0.94 0.00 0.00 52.86 54.49 3lxm s ASN 3 Cb 0.00 -2.57 1.88 0.00 -2.00 0.00 0.00 41.25 38.56 3lxm s ASN 3 CO 0.00 -2.39 2.14 1.55 -2.94 0.00 0.00 177.10 175.45 3lxm h PRO 4 N -0.82 0.00 -0.02 3.55 0.13 -1.94 -2.58 132.00 130.32 3lxm h PRO 4 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3lxm h PRO 4 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3lxm h PRO 4 CO 0.48 0.00 -0.04 1.28 -0.23 0.00 0.00 178.00 179.49 3lxm n LEU 5 N -2.95 1.63 -4.67 1.56 4.77 -1.26 -4.87 117.00 111.22 3lxm n LEU 5 Ca -0.01 -0.54 -0.46 0.00 -0.03 0.00 0.00 56.01 54.97 3lxm n LEU 5 Cb 0.15 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3lxm n LEU 5 CO 0.21 0.28 1.18 0.00 -1.33 0.00 0.00 177.39 177.73 3lxm n TYR 6 N 0.22 2.27 -2.04 -1.77 9.36 -0.98 -1.13 117.16 123.09 3lxm n TYR 6 Ca 0.17 0.28 -0.07 0.00 3.32 0.00 0.00 57.90 61.61 3lxm n TYR 6 Cb 0.39 -2.54 -0.01 0.00 -0.63 0.00 0.00 39.34 36.55 3lxm n TYR 6 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3lxm n HIS 7 N 3.27 -1.33 -3.32 2.98 8.25 0.14 -4.93 115.22 120.29 3lxm n HIS 7 Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.24 3lxm n HIS 7 Cb 0.29 -1.94 -0.06 0.00 1.12 0.00 0.00 29.99 29.40 3lxm n HIS 7 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3lxm s LYS 8 N -4.19 4.16 0.20 -0.41 2.20 -0.28 -4.70 119.74 116.71 3lxm s LYS 8 Ca 0.00 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 3lxm s LYS 8 Cb 0.00 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 32.98 3lxm s LYS 8 CO 0.00 0.59 1.04 -1.01 -0.36 0.00 0.00 175.35 175.61 3lxm s HIS 9 N -0.90 3.72 -0.62 4.03 3.76 -1.26 -4.65 115.29 119.37 3lxm s HIS 9 Ca 0.28 1.73 -0.04 0.00 -0.15 0.00 0.00 55.06 56.87 3lxm s HIS 9 Cb -0.19 -3.17 0.16 0.00 1.11 0.00 0.00 32.58 30.50 3lxm s HIS 9 CO 0.17 -0.21 0.45 0.42 -0.85 0.00 0.00 174.74 174.72 3lxm s ILE 10 N -0.58 3.89 -0.24 0.60 -1.09 0.50 -4.88 121.20 119.41 3lxm s ILE 10 Ca 0.46 -2.79 -0.12 0.00 -2.23 0.00 0.00 60.65 55.98 3lxm s ILE 10 Cb -0.28 -3.53 -0.11 0.00 -1.58 0.00 0.00 42.46 36.96 3lxm s ILE 10 CO 0.34 -0.87 -0.31 -0.38 -1.23 0.00 0.00 174.94 172.49 3lxm n ILE 11 N 3.69 1.32 -4.62 2.92 2.08 -1.26 -1.07 119.36 122.42 3lxm n ILE 11 Ca 0.07 -0.34 -0.27 0.00 0.56 0.00 0.00 62.75 62.77 3lxm n ILE 11 Cb 0.39 -1.81 -0.14 0.00 -0.75 0.00 0.00 39.64 37.33 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 -7.13 2.80 0.41 4.38 0.15 -1.26 -4.56 113.70 108.49 3lxm s SER 12 Ca -0.34 -0.60 0.09 0.00 0.70 0.00 0.00 55.95 55.81 3lxm s SER 12 Cb 0.13 -0.22 0.87 0.00 -1.71 0.00 0.00 66.02 65.09 3lxm s SER 12 CO 0.43 0.17 1.99 -0.29 1.20 0.00 0.00 173.24 176.74 3lxm h ILE 13 N 4.20 1.13 0.00 6.45 6.09 -1.94 -2.54 117.51 130.90 3lxm h ILE 13 Ca -0.45 -0.47 -0.01 0.00 -1.37 0.00 0.00 64.86 62.55 3lxm h ILE 13 Cb 1.16 0.94 -0.00 0.00 0.47 0.00 0.00 36.82 39.39 3lxm h ILE 13 CO 0.42 0.16 -0.04 0.78 -3.07 0.00 0.00 178.15 176.41 3lxm h ASN 14 N 0.31 0.00 0.00 2.19 2.35 -1.98 -2.47 115.58 115.98 3lxm h ASN 14 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3lxm h ASN 14 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3lxm h ASN 14 CO 0.00 0.04 0.00 0.47 -1.65 0.00 0.00 177.43 176.29 3lxm n ASP 15 N -3.39 0.00 -4.51 5.81 8.00 -0.96 -4.71 116.55 116.79 3lxm n ASP 15 Ca -0.02 -1.74 -0.33 0.00 0.71 0.00 0.00 54.79 53.40 3lxm n ASP 15 Cb 0.16 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.24 3.02 0.90 0.64 1.43 -0.93 -5.05 118.68 117.45 3lxm s LEU 16 Ca 0.11 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 3lxm s LEU 16 Cb 0.05 -1.67 0.14 0.00 0.03 0.00 0.00 46.19 44.74 3lxm s LEU 16 CO 0.09 0.29 1.21 -0.94 0.23 0.00 0.00 176.35 177.23 3lxm s SER 17 N -0.35 3.67 0.24 2.29 1.04 -1.26 -4.80 113.70 114.53 3lxm s SER 17 Ca 0.05 0.64 -0.07 0.00 0.48 0.00 0.00 55.95 57.05 3lxm s SER 17 Cb -0.12 -0.99 0.26 0.00 0.10 0.00 0.00 66.02 65.27 3lxm s SER 17 CO 0.02 -2.42 1.90 -0.09 0.98 0.00 0.00 173.24 173.64 3lxm h ARG 18 N -1.41 1.18 -0.77 4.02 2.43 -1.98 0.18 114.38 118.03 3lxm h ARG 18 Ca -0.46 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.60 3lxm h ARG 18 Cb 1.30 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 3lxm h ARG 18 CO 0.54 0.78 0.34 -0.44 -1.51 0.00 0.00 179.97 179.68 3lxm h ASP 19 N 1.21 1.02 -0.34 -3.80 3.32 -1.99 -0.90 116.42 114.95 3lxm h ASP 19 Ca 0.36 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 3lxm h ASP 19 Cb -0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 3lxm h ASP 19 CO -0.10 0.89 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.60 3lxm h GLU 20 N 1.10 0.89 0.02 3.56 5.08 -1.70 -1.63 114.58 121.91 3lxm h GLU 20 Ca 0.26 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3lxm h GLU 20 Cb 0.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3lxm h GLU 20 CO -0.03 1.11 -0.01 -0.07 -1.00 0.00 0.00 179.01 179.01 3lxm h LEU 21 N 0.73 -0.02 -1.56 1.33 3.38 -0.52 -1.72 115.31 116.93 3lxm h LEU 21 Ca 0.06 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3lxm h LEU 21 Cb 0.96 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3lxm h LEU 21 CO 0.09 0.03 0.37 -0.33 0.09 0.00 0.00 178.44 178.69 3lxm h GLU 22 N -0.08 0.54 -0.33 1.13 5.08 -1.11 -0.27 114.58 119.54 3lxm h GLU 22 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3lxm h GLU 22 Cb 0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3lxm h GLU 22 CO 0.00 0.36 0.04 1.25 -1.00 0.00 0.00 179.01 179.67 3lxm h LEU 23 N 0.56 0.54 -0.40 1.33 5.85 -0.83 -0.55 115.31 121.81 3lxm h LEU 23 Ca 0.23 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3lxm h LEU 23 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3lxm h LEU 23 CO -0.06 0.68 0.23 0.58 -0.34 0.00 0.00 178.44 179.52 3lxm h VAL 24 N 0.38 1.15 -0.90 1.05 2.07 -0.32 -1.08 116.25 118.60 3lxm h VAL 24 Ca 0.10 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3lxm h VAL 24 Cb 0.38 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3lxm h VAL 24 CO 0.01 0.15 0.52 -0.07 0.02 0.00 0.00 177.57 178.20 3lxm h LEU 25 N 0.52 1.10 -0.56 2.57 4.07 -0.97 0.17 115.31 122.21 3lxm h LEU 25 Ca 0.14 -0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.91 3lxm h LEU 25 Cb 0.04 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 3lxm h LEU 25 CO -0.02 0.86 -0.08 0.03 -1.08 0.00 0.00 178.44 178.14 3lxm h ARG 26 N 1.25 1.05 -0.46 1.13 3.08 -0.85 -1.08 114.38 118.50 3lxm h ARG 26 Ca 0.32 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3lxm h ARG 26 Cb -0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3lxm h ARG 26 CO -0.06 1.08 0.20 1.15 -1.07 0.00 0.00 179.97 181.27 3lxm h THR 27 N 0.94 1.20 -0.59 2.04 2.02 -0.67 -1.32 112.91 116.52 3lxm h THR 27 Ca 0.15 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 3lxm h THR 27 Cb 0.66 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3lxm h THR 27 CO 0.05 0.22 0.32 0.00 0.37 0.00 0.00 175.52 176.48 3lxm h ALA 28 N 1.05 0.75 -0.88 6.16 0.00 -0.49 -1.08 119.26 124.77 3lxm h ALA 28 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3lxm h ALA 28 Cb 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3lxm h ALA 28 CO -0.02 0.27 0.49 0.00 0.00 0.00 0.00 179.25 179.99 3lxm h ALA 29 N 1.15 1.20 -0.27 0.00 0.00 -0.96 -1.55 119.26 118.82 3lxm h ALA 29 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3lxm h ALA 29 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3lxm h ALA 29 CO -0.03 0.65 0.04 1.03 0.00 0.00 0.00 179.25 180.94 3lxm h SER 30 N 1.23 0.44 -0.41 0.00 0.87 -0.87 -1.39 113.55 113.42 3lxm h SER 30 Ca 0.31 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3lxm h SER 30 Cb 0.02 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3lxm h SER 30 CO -0.05 0.59 0.13 -0.07 -0.53 0.00 0.00 176.83 176.89 3lxm h LEU 31 N 0.27 0.65 -0.46 2.23 3.38 -0.99 0.22 115.31 120.62 3lxm h LEU 31 Ca 0.08 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3lxm h LEU 31 Cb 0.34 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3lxm h LEU 31 CO 0.01 0.64 -0.24 0.50 0.09 0.00 0.00 178.44 179.44 3lxm h LYS 32 N 0.69 0.97 -0.18 1.13 3.64 -1.11 -3.04 116.57 118.67 3lxm h LYS 32 Ca 0.16 -0.43 -0.14 0.00 -1.27 0.00 0.00 60.65 58.96 3lxm h LYS 32 Cb 0.24 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3lxm h LYS 32 CO -0.00 1.10 -0.45 -0.22 -2.27 0.00 0.00 179.45 177.60 3lxm h LYS 33 N 0.81 0.62 -2.94 1.90 3.64 -0.75 -3.42 116.57 116.43 3lxm h LYS 33 Ca 0.10 -0.43 -0.53 0.00 -1.27 0.00 0.00 60.65 58.52 3lxm h LYS 33 Cb 0.82 0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 32.30 3lxm h LYS 33 CO 0.07 1.05 -0.77 0.95 -2.27 0.00 0.00 179.45 178.47 3lxm s THR 34 N -3.95 0.07 0.72 1.00 -4.23 0.74 -5.10 115.64 104.89 3lxm s THR 34 Ca -0.12 -0.78 -0.15 0.00 -1.18 0.00 0.00 61.69 59.46 3lxm s THR 34 Cb 0.07 -1.03 0.03 0.00 1.34 0.00 0.00 72.50 72.91 3lxm s THR 34 CO 0.84 -0.67 1.18 -2.84 -0.54 0.00 0.00 174.62 172.59 3lxm s PRO 35 N 2.03 2.27 -0.59 3.99 0.02 -1.15 -4.29 135.00 137.28 3lxm s PRO 35 Ca 0.08 1.65 0.05 0.00 0.02 0.00 0.00 61.00 62.80 3lxm s PRO 35 Cb -0.16 -1.86 0.20 0.00 0.02 0.00 0.00 34.50 32.70 3lxm s PRO 35 CO -0.32 -1.71 0.53 1.04 -0.33 0.00 0.00 177.00 176.21 3lxm n GLN 36 N -2.71 1.50 0.04 5.54 6.02 -1.26 -4.98 117.38 121.53 3lxm n GLN 36 Ca 0.12 -4.08 0.03 0.00 -0.01 0.00 0.00 57.00 53.06 3lxm n GLN 36 Cb 0.51 -2.00 0.17 0.00 1.02 0.00 0.00 30.24 29.93 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 0.04 -0.06 -1.09 -0.04 -1.25 -2.21 135.00 132.20 3lxm n PRO 37 Ca 0.25 0.52 0.04 0.00 -0.04 0.00 0.00 63.50 64.27 3lxm n PRO 37 Cb 0.42 -1.62 0.06 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.70 1.90 -0.34 0.54 -0.58 -1.25 -1.83 120.64 117.38 3lxm n GLU 38 Ca -0.00 -1.86 -0.03 0.00 -0.42 0.00 0.00 57.16 54.84 3lxm n GLU 38 Cb 0.02 -1.15 0.09 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.05 -3.66 -4.62 5.85 -1.18 -2.54 115.31 110.22 3lxm h LEU 39 Ca 0.00 -0.03 -0.36 0.00 0.84 0.00 0.00 57.88 58.33 3lxm h LEU 39 Cb 0.80 -0.26 -0.21 0.00 0.37 0.00 0.00 40.66 41.35 3lxm h LEU 39 CO 0.00 0.77 0.21 0.18 -0.34 0.00 0.00 178.44 179.26 3lxm n LEU 40 N -4.44 5.40 -4.70 2.25 4.77 0.84 -5.03 117.00 116.08 3lxm n LEU 40 Ca 0.10 -3.83 -0.42 0.00 -0.03 0.00 0.00 56.01 51.83 3lxm n LEU 40 Cb 0.02 -0.72 -0.01 0.00 -2.33 0.00 0.00 43.42 40.38 3lxm n LEU 40 CO 0.37 1.26 0.90 1.17 -1.33 0.00 0.00 177.39 179.76 3lxm n LYS 41 N -1.10 2.13 -0.92 3.23 3.00 -0.96 -1.60 118.16 121.94 3lxm n LYS 41 Ca 0.46 0.75 0.00 0.00 -0.00 0.00 0.00 58.31 59.51 3lxm n LYS 41 Cb 1.23 -2.33 0.00 0.00 0.00 0.00 0.00 35.03 33.93 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 0.34 0.00 -3.52 5.64 8.25 -1.26 -4.97 115.22 119.71 3lxm n HIS 42 Ca 0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.18 3lxm n HIS 42 Cb 0.36 -0.85 -0.05 0.00 1.12 0.00 0.00 29.99 30.57 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 -0.78 3.74 -0.10 -0.41 -0.14 -0.63 -5.00 119.74 116.43 3lxm s LYS 43 Ca 0.00 0.15 0.02 0.00 -1.36 0.00 0.00 55.97 54.78 3lxm s LYS 43 Cb 0.00 -2.76 0.01 0.00 -1.68 0.00 0.00 37.83 33.40 3lxm s LYS 43 CO 0.00 0.40 -0.17 0.08 -0.76 0.00 0.00 175.35 174.90 3lxm s VAL 44 N -1.71 1.56 -0.09 3.17 1.01 -1.26 -1.43 120.40 121.65 3lxm s VAL 44 Ca 0.43 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3lxm s VAL 44 Cb -0.12 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3lxm s VAL 44 CO 0.22 0.45 -0.23 -0.63 0.00 0.00 0.00 175.10 174.91 3lxm s ILE 45 N 0.75 2.17 0.10 2.22 1.01 -0.45 -0.77 121.20 126.24 3lxm s ILE 45 Ca -0.11 -0.99 -0.23 0.00 0.00 0.00 0.00 60.65 59.32 3lxm s ILE 45 Cb -0.16 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.42 3lxm s ILE 45 CO 0.02 0.56 0.69 0.00 0.00 0.00 0.00 174.94 176.21 3lxm s ALA 46 N 0.21 3.49 -0.43 9.38 0.00 -0.45 -1.94 121.76 132.02 3lxm s ALA 46 Ca -0.14 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 3lxm s ALA 46 Cb -0.17 -2.84 0.12 0.00 0.00 0.00 0.00 23.12 20.23 3lxm s ALA 46 CO 0.07 0.28 0.20 0.45 0.00 0.00 0.00 175.76 176.77 3lxm s SER 47 N -0.89 5.07 -0.81 0.00 0.15 0.82 -0.66 113.70 117.39 3lxm s SER 47 Ca 0.33 -2.24 -0.08 0.00 0.70 0.00 0.00 55.95 54.66 3lxm s SER 47 Cb -0.21 -1.77 0.21 0.00 -1.71 0.00 0.00 66.02 62.53 3lxm s SER 47 CO 0.23 -0.46 0.71 0.00 1.20 0.00 0.00 173.24 174.91 3lxm s PHE 49 N -0.27 3.58 0.31 0.00 0.40 -0.76 -1.40 117.98 119.83 3lxm s PHE 49 Ca 0.20 -1.78 0.16 0.00 -0.60 0.00 0.00 56.93 54.92 3lxm s PHE 49 Cb -0.13 -3.89 0.76 0.00 0.51 0.00 0.00 43.02 40.28 3lxm s PHE 49 CO -0.07 -1.07 1.81 0.74 0.70 0.00 0.00 175.22 177.32 3lxm h PHE 50 N 8.13 0.00 -3.33 0.36 0.04 -1.05 -2.07 116.94 119.02 3lxm h PHE 50 Ca 0.04 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.16 3lxm h PHE 50 Cb 1.05 0.00 -0.26 0.00 2.20 0.00 0.00 35.95 38.93 3lxm h PHE 50 CO 1.00 0.37 -0.74 -2.00 -0.60 0.00 0.00 178.31 176.35 3lxm s GLU 51 N -3.96 3.42 0.31 1.51 2.12 -1.16 -2.01 118.70 118.93 3lxm s GLU 51 Ca -0.02 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 3lxm s GLU 51 Cb 0.13 -2.80 -0.11 0.00 0.26 0.00 0.00 34.13 31.61 3lxm s GLU 51 CO 0.70 0.07 1.57 0.00 -0.54 0.00 0.00 175.26 177.06 3lxm s ALA 52 N 0.75 3.71 -0.51 6.30 0.00 -1.25 -4.80 121.76 125.95 3lxm s ALA 52 Ca -0.04 1.56 0.07 0.00 0.00 0.00 0.00 51.96 53.55 3lxm s ALA 52 Cb -0.15 -3.64 0.19 0.00 0.00 0.00 0.00 23.12 19.52 3lxm s ALA 52 CO 0.02 -0.99 0.71 0.45 0.00 0.00 0.00 175.76 175.95 3lxm n SER 53 N 1.89 -3.22 -0.16 0.00 2.88 -1.26 -5.04 113.62 108.71 3lxm n SER 53 Ca 0.07 -2.90 -0.03 0.00 -1.33 0.00 0.00 58.87 54.68 3lxm n SER 53 Cb 0.38 1.59 0.03 0.00 -0.75 0.00 0.00 64.21 65.46 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 4.88 0.45 -0.45 2.46 2.02 -1.92 -0.01 112.91 120.34 3lxm h THR 54 Ca 0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 3lxm h THR 54 Cb 1.09 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 3lxm h THR 54 CO 0.05 0.00 0.19 -0.09 0.37 0.00 0.00 175.52 176.04 3lxm h ARG 55 N -0.04 0.38 -0.11 6.66 2.43 -2.00 0.54 114.38 122.25 3lxm h ARG 55 Ca 0.24 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.17 3lxm h ARG 55 Cb 0.40 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3lxm h ARG 55 CO -0.53 0.25 -0.78 1.15 -1.51 0.00 0.00 179.97 178.56 3lxm h THR 56 N 0.39 1.32 -0.21 0.20 2.02 -1.87 -2.84 112.91 111.93 3lxm h THR 56 Ca 0.20 -2.07 -0.02 0.00 0.77 0.00 0.00 66.41 65.29 3lxm h THR 56 Cb 0.16 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3lxm h THR 56 CO -0.18 0.64 0.04 -0.09 0.37 0.00 0.00 175.52 176.30 3lxm h ARG 57 N 0.41 0.34 -0.70 6.66 2.43 -0.61 -1.34 114.38 121.58 3lxm h ARG 57 Ca -0.05 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3lxm h ARG 57 Cb 1.39 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.85 3lxm h ARG 57 CO 0.15 0.48 0.42 -0.07 -1.51 0.00 0.00 179.97 179.44 3lxm h LEU 58 N 0.14 0.66 -0.24 3.80 3.38 -0.95 0.54 115.31 122.64 3lxm h LEU 58 Ca 0.06 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3lxm h LEU 58 Cb 0.30 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3lxm h LEU 58 CO 0.00 0.45 0.11 -1.28 0.09 0.00 0.00 178.44 177.81 3lxm h SER 59 N 0.80 0.17 -0.40 -0.43 0.87 -1.31 0.21 113.55 113.45 3lxm h SER 59 Ca 0.29 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 3lxm h SER 59 Cb 0.09 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3lxm h SER 59 CO -0.14 0.13 0.05 -0.26 -0.53 0.00 0.00 176.83 176.08 3lxm h PHE 60 N 0.25 0.73 -0.70 2.24 0.04 -0.81 -1.08 116.94 117.60 3lxm h PHE 60 Ca 0.10 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 3lxm h PHE 60 Cb 0.03 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 3lxm h PHE 60 CO -0.10 0.72 0.15 0.93 -0.60 0.00 0.00 178.31 179.41 3lxm h GLU 61 N 0.52 1.14 -0.36 1.51 5.08 -0.74 -0.85 114.58 120.88 3lxm h GLU 61 Ca 0.12 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3lxm h GLU 61 Cb 0.40 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3lxm h GLU 61 CO 0.01 1.01 0.24 1.15 -1.00 0.00 0.00 179.01 180.42 3lxm h THR 62 N 1.07 1.09 -0.86 1.13 2.02 -0.84 -0.92 112.91 115.60 3lxm h THR 62 Ca 0.22 -0.17 0.11 0.00 0.77 0.00 0.00 66.41 67.33 3lxm h THR 62 Cb 0.40 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 67.30 3lxm h THR 62 CO 0.01 0.09 0.50 0.28 0.37 0.00 0.00 175.52 176.76 3lxm h SER 63 N 0.48 0.69 -0.20 4.18 0.02 -0.68 0.12 113.55 118.17 3lxm h SER 63 Ca 0.13 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3lxm h SER 63 Cb -0.05 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3lxm h SER 63 CO -0.03 0.37 -0.10 0.40 -1.14 0.00 0.00 176.83 176.34 3lxm h ILE 64 N 0.80 1.31 -0.43 3.27 2.04 -0.67 -2.80 117.51 121.03 3lxm h ILE 64 Ca 0.43 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 3lxm h ILE 64 Cb 0.44 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3lxm h ILE 64 CO -0.27 0.35 0.04 0.45 0.00 0.00 0.00 178.15 178.72 3lxm h HIS 65 N 0.11 0.70 0.00 1.37 3.86 -0.68 -2.08 115.15 118.42 3lxm h HIS 65 Ca 0.04 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3lxm h HIS 65 Cb 0.59 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3lxm h HIS 65 CO 0.06 0.64 0.00 0.00 0.86 0.00 0.00 177.93 179.49 3lxm h ARG 66 N 0.64 0.00 -0.27 2.45 2.47 -0.58 -0.52 114.38 118.58 3lxm h ARG 66 Ca 0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3lxm h ARG 66 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 3lxm h ARG 66 CO 0.01 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.82 3lxm n LEU 67 N -3.07 3.01 0.00 3.04 4.77 -0.83 -3.76 117.00 120.16 3lxm n LEU 67 Ca -0.01 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 3lxm n LEU 67 Cb 0.22 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3lxm n LEU 67 CO 0.24 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3lxm n GLY 68 N 1.41 0.72 3.95 -0.72 0.00 -0.20 -0.12 105.19 110.23 3lxm n GLY 68 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.31 3.79 0.23 4.61 0.00 -0.94 -4.07 121.76 123.06 3lxm s ALA 69 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.93 3lxm s ALA 69 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 3lxm s ALA 69 CO 0.00 -0.36 0.34 -1.12 0.00 0.00 0.00 175.76 174.63 3lxm s SER 70 N -4.21 6.29 -0.05 0.00 0.01 -0.51 -3.98 113.70 111.24 3lxm s SER 70 Ca 0.48 0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.85 3lxm s SER 70 Cb -0.10 -1.85 -0.00 0.00 0.21 0.00 0.00 66.02 64.28 3lxm s SER 70 CO 0.37 -0.05 -0.19 -0.69 0.41 0.00 0.00 173.24 173.10 3lxm s VAL 71 N -1.95 1.55 0.04 3.43 1.01 -1.26 -1.34 120.40 121.88 3lxm s VAL 71 Ca 0.34 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.60 3lxm s VAL 71 Cb -0.09 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3lxm s VAL 71 CO 0.29 0.44 -0.17 0.68 0.00 0.00 0.00 175.10 176.34 3lxm s VAL 72 N 0.06 1.39 -0.21 2.92 -7.23 -0.82 -4.96 120.40 111.56 3lxm s VAL 72 Ca -0.05 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3lxm s VAL 72 Cb -0.12 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3lxm s VAL 72 CO 0.03 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 3lxm n GLY 73 N 1.85 -0.97 3.00 2.32 0.00 -1.26 -0.13 105.19 110.00 3lxm n GLY 73 Ca -0.18 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 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 0.67 -1.09 1.61 -0.12 -0.66 -4.96 117.98 110.43 3lxm s PHE 74 Ca 0.00 -0.14 0.24 0.00 -0.05 0.00 0.00 56.93 56.99 3lxm s PHE 74 Cb 0.00 -0.43 0.41 0.00 -0.63 0.00 0.00 43.02 42.37 3lxm s PHE 74 CO 0.00 -0.01 1.35 -1.13 -0.05 0.00 0.00 175.22 175.37 3lxm n SER 75 N 2.84 0.65 -3.50 1.98 3.41 -1.26 -1.84 113.62 115.91 3lxm n SER 75 Ca -0.13 -0.44 -0.11 0.00 -0.26 0.00 0.00 58.87 57.93 3lxm n SER 75 Cb 0.57 0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 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 -2.94 -0.45 1.26 4.04 3.68 -0.78 -3.95 116.67 117.53 3lxm s ASP 76 Ca 0.12 0.14 -0.19 0.00 2.13 0.00 0.00 52.55 54.75 3lxm s ASP 76 Cb 0.17 0.44 0.31 0.00 -1.45 0.00 0.00 42.92 42.39 3lxm s ASP 76 CO 0.71 -0.66 1.03 -0.94 0.13 0.00 0.00 175.17 175.43 3lxm s SER 77 N -2.20 0.33 -0.65 -0.34 1.04 -0.85 -4.81 113.70 106.23 3lxm s SER 77 Ca 0.01 0.90 -0.35 0.00 0.48 0.00 0.00 55.95 56.99 3lxm s SER 77 Cb -0.01 -1.32 -0.17 0.00 0.10 0.00 0.00 66.02 64.63 3lxm s SER 77 CO -0.06 -4.52 2.40 1.07 0.98 0.00 0.00 173.24 173.11 3lxm n THR 88 N -5.06 0.03 -0.29 2.02 5.66 -1.26 -5.08 114.28 110.30 3lxm n THR 88 Ca 0.10 -0.16 0.09 0.00 -3.05 0.00 0.00 64.05 61.03 3lxm n THR 88 Cb 0.59 -1.06 0.22 0.00 -1.55 0.00 0.00 70.33 68.52 3lxm n THR 88 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3lxm h LEU 89 N 12.28 -0.33 -0.42 1.09 3.38 -2.02 -1.65 115.31 127.63 3lxm h LEU 89 Ca -0.14 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3lxm h LEU 89 Cb 1.34 0.37 -0.08 0.00 0.09 0.00 0.00 40.66 42.38 3lxm h LEU 89 CO 1.19 -0.22 -0.54 0.00 0.09 0.00 0.00 178.44 178.96 3lxm h ALA 90 N 1.80 -0.76 -0.45 1.53 0.00 -1.97 0.60 119.26 120.02 3lxm h ALA 90 Ca 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 3lxm h ALA 90 Cb 0.93 1.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 3lxm h ALA 90 CO -0.74 -1.02 0.18 -0.44 0.00 0.00 0.00 179.25 177.23 3lxm h ASP 91 N -0.36 0.62 -0.71 0.00 3.45 -1.80 0.74 116.42 118.36 3lxm h ASP 91 Ca 0.07 -0.17 0.13 0.00 0.43 0.00 0.00 57.03 57.50 3lxm h ASP 91 Cb 0.56 -0.16 -0.09 0.00 -0.56 0.00 0.00 39.33 39.08 3lxm h ASP 91 CO -0.59 0.62 0.26 0.74 -1.57 0.00 0.00 179.24 178.69 3lxm h THR 92 N 0.59 0.67 0.02 0.35 2.02 -0.56 0.16 112.91 116.16 3lxm h THR 92 Ca 0.15 -0.14 -0.21 0.00 0.77 0.00 0.00 66.41 66.98 3lxm h THR 92 Cb 0.19 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3lxm h THR 92 CO -0.01 0.07 -0.95 0.24 0.37 0.00 0.00 175.52 175.24 3lxm h MET 93 N 0.41 0.20 0.00 6.66 2.86 -0.77 -1.28 114.93 123.01 3lxm h MET 93 Ca 0.38 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3lxm h MET 93 Cb 0.57 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 3lxm h MET 93 CO -0.39 1.01 -0.09 0.77 1.06 0.00 0.00 176.91 179.27 3lxm h SER 94 N 0.10 0.00 0.00 1.22 0.02 0.11 -0.95 113.55 114.05 3lxm h SER 94 Ca -0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3lxm h SER 94 Cb 1.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 3lxm h SER 94 CO 0.15 0.09 -0.37 1.62 -1.14 0.00 0.00 176.83 177.18 3lxm h VAL 95 N 0.00 1.15 -0.77 2.27 3.04 -0.67 -3.35 116.25 117.92 3lxm h VAL 95 Ca -0.00 -1.99 0.12 0.00 -1.01 0.00 0.00 66.70 63.82 3lxm h VAL 95 Cb 0.16 2.30 -0.09 0.00 -2.01 0.00 0.00 31.29 31.66 3lxm h VAL 95 CO 0.01 0.39 0.37 0.40 -1.01 0.00 0.00 177.57 177.73 3lxm h ILE 96 N -1.00 0.76 0.00 3.17 1.08 -1.20 0.16 117.51 120.49 3lxm h ILE 96 Ca -0.09 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3lxm h ILE 96 Cb 0.89 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 3lxm h ILE 96 CO -0.06 0.11 0.00 -1.54 -0.69 0.00 0.00 178.15 175.97 3lxm n SER 97 N -4.90 0.39 -0.01 1.72 3.41 -0.37 -1.33 113.62 112.54 3lxm n SER 97 Ca 0.14 0.64 0.14 0.00 -0.26 0.00 0.00 58.87 59.53 3lxm n SER 97 Cb 0.36 -0.71 0.57 0.00 -0.26 0.00 0.00 64.21 64.17 3lxm n SER 97 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3lxm n THR 98 N -1.98 0.00 -0.92 6.66 -2.24 0.56 -4.29 114.28 112.08 3lxm n THR 98 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3lxm n THR 98 Cb 0.10 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.43 0.00 -4.35 4.78 4.11 -0.44 -5.08 117.16 114.75 3lxm n TYR 99 Ca 0.08 -0.02 -0.24 0.00 -0.00 0.00 0.00 57.90 57.73 3lxm n TYR 99 Cb 0.32 -0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.58 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 -0.03 2.87 -0.15 -3.48 -7.23 -1.00 -4.95 120.40 106.42 3lxm s VAL 100 Ca 0.00 -2.05 0.20 0.00 -1.81 0.00 0.00 61.98 58.31 3lxm s VAL 100 Cb 0.00 -2.70 -0.12 0.00 0.56 0.00 0.00 36.38 34.12 3lxm s VAL 100 CO 0.00 -0.30 0.81 0.47 -0.31 0.00 0.00 175.10 175.77 3lxm n ASP 101 N -0.86 0.69 -3.52 4.85 8.00 0.05 -4.83 116.55 120.93 3lxm n ASP 101 Ca -0.05 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.60 3lxm n ASP 101 Cb 0.61 0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 42.23 3lxm n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3lxm s ALA 102 N -3.14 -1.42 -0.11 2.24 0.00 -1.24 -4.21 121.76 113.88 3lxm s ALA 102 Ca -0.03 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3lxm s ALA 102 Cb 0.10 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.79 3lxm s ALA 102 CO 0.82 -0.60 -0.14 0.42 0.00 0.00 0.00 175.76 176.26 3lxm s ILE 103 N -2.94 1.42 -0.25 0.00 1.01 -0.34 -1.35 121.20 118.76 3lxm s ILE 103 Ca -0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 3lxm s ILE 103 Cb -0.00 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 3lxm s ILE 103 CO -0.06 0.43 0.15 -0.69 0.00 0.00 0.00 174.94 174.77 3lxm s VAL 104 N 1.15 5.15 -0.03 2.92 1.01 0.17 -0.42 120.40 130.36 3lxm s VAL 104 Ca -0.04 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.10 3lxm s VAL 104 Cb -0.14 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3lxm s VAL 104 CO -0.04 0.33 -0.15 -0.32 0.00 0.00 0.00 175.10 174.93 3lxm s MET 105 N 1.26 1.36 -0.06 2.72 0.00 -0.39 -0.12 119.30 124.08 3lxm s MET 105 Ca 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 55.69 55.27 3lxm s MET 105 Cb -0.14 -1.25 0.01 0.00 0.00 0.00 0.00 34.83 33.45 3lxm s MET 105 CO 0.06 0.25 -0.11 0.50 0.00 0.00 0.00 175.02 175.72 3lxm s ARG 106 N -0.10 1.49 -0.02 4.11 3.52 -0.49 -0.07 118.95 127.38 3lxm s ARG 106 Ca 0.01 -0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 55.19 3lxm s ARG 106 Cb -0.08 -1.27 0.00 0.00 -1.56 0.00 0.00 34.95 32.04 3lxm s ARG 106 CO 0.01 0.03 0.13 -1.58 -0.81 0.00 0.00 175.30 173.07 3lxm s HIS 107 N 0.63 -0.02 0.29 5.12 2.46 -0.79 -0.45 115.29 122.53 3lxm s HIS 107 Ca -0.13 0.04 0.16 0.00 0.47 0.00 0.00 55.06 55.60 3lxm s HIS 107 Cb -0.15 -0.02 0.69 0.00 -0.13 0.00 0.00 32.58 32.97 3lxm s HIS 107 CO 0.03 -0.19 1.77 -1.00 -2.47 0.00 0.00 174.74 172.87 3lxm h PRO 108 N 4.96 0.00 -5.22 2.88 0.13 -1.90 -1.80 132.00 131.05 3lxm h PRO 108 Ca -0.29 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.23 3lxm h PRO 108 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 3lxm h PRO 108 CO 0.41 0.41 -0.29 -0.65 -0.23 0.00 0.00 178.00 177.64 3lxm s GLN 109 N -3.86 4.08 0.46 0.86 -0.21 -1.26 -3.48 119.66 116.25 3lxm s GLN 109 Ca -0.02 0.01 -0.24 0.00 0.02 0.00 0.00 55.36 55.13 3lxm s GLN 109 Cb 0.13 -3.59 -0.08 0.00 1.00 0.00 0.00 33.01 30.47 3lxm s GLN 109 CO 0.71 -0.12 1.36 -1.91 -2.12 0.00 0.00 175.29 173.21 3lxm n GLU 110 N 4.81 2.03 0.00 2.91 2.13 -1.26 -2.43 120.64 128.82 3lxm n GLU 110 Ca -0.10 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.45 3lxm n GLU 110 Cb 0.51 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.68 3lxm n GLU 110 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3lxm n GLY 111 N 0.69 1.97 0.26 8.31 0.00 -1.26 -4.92 105.19 110.25 3lxm n GLY 111 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3lxm n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lxm h ALA 112 N 0.00 0.72 -0.25 4.61 0.00 -1.87 -1.79 119.26 120.67 3lxm h ALA 112 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3lxm h ALA 112 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3lxm h ALA 112 CO 0.00 0.46 0.14 0.77 0.00 0.00 0.00 179.25 180.63 3lxm h SER 113 N 0.78 0.31 -0.91 0.00 0.02 -1.92 -1.21 113.55 110.63 3lxm h SER 113 Ca 0.16 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3lxm h SER 113 Cb 0.42 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 3lxm h SER 113 CO 0.01 0.30 0.58 -0.09 -1.14 0.00 0.00 176.83 176.49 3lxm h ARG 114 N 0.30 1.04 -0.32 3.45 9.65 -1.95 -1.17 114.38 125.39 3lxm h ARG 114 Ca 0.09 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3lxm h ARG 114 Cb 0.05 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 3lxm h ARG 114 CO -0.02 0.69 0.18 1.25 2.80 0.00 0.00 179.97 184.88 3lxm h LEU 115 N 1.07 0.39 -0.65 3.80 5.85 -0.86 -1.27 115.31 123.64 3lxm h LEU 115 Ca 0.38 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.14 3lxm h LEU 115 Cb 0.12 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 3lxm h LEU 115 CO -0.16 0.35 0.24 0.00 -0.34 0.00 0.00 178.44 178.54 3lxm h ALA 116 N 1.06 0.86 -0.40 1.25 0.00 -0.56 -1.18 119.26 120.29 3lxm h ALA 116 Ca 0.11 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3lxm h ALA 116 Cb 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3lxm h ALA 116 CO -0.02 -0.20 0.21 0.00 0.00 0.00 0.00 179.25 179.25 3lxm h ALA 117 N 1.46 1.63 0.00 0.00 0.00 -0.19 -0.21 119.26 121.94 3lxm h ALA 117 Ca 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3lxm h ALA 117 Cb 0.45 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3lxm h ALA 117 CO -0.34 0.31 -0.10 1.96 0.00 0.00 0.00 179.25 181.09 3lxm h GLN 118 N 0.55 0.00 0.00 0.00 4.20 -0.13 -3.22 115.11 116.51 3lxm h GLN 118 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3lxm h GLN 118 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3lxm h GLN 118 CO -0.02 0.10 -1.35 1.19 -0.67 0.00 0.00 178.83 178.07 3lxm n PHE 119 N -3.57 0.00 0.50 2.96 3.72 -0.74 -4.64 117.46 115.69 3lxm n PHE 119 Ca -0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.44 3lxm n PHE 119 Cb 0.23 -0.22 0.29 0.00 -0.94 0.00 0.00 39.48 38.84 3lxm n PHE 119 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3lxm n SER 120 N -1.79 0.00 0.00 4.37 3.41 -0.17 -4.56 113.62 114.88 3lxm n SER 120 Ca -0.01 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 3lxm n SER 120 Cb 0.27 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3lxm n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lxm n GLY 121 N -0.21 2.85 0.16 5.00 0.00 -1.26 -1.66 105.19 110.06 3lxm n GLY 121 Ca 0.04 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.94 3lxm n GLY 121 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lxm n ASN 122 N 6.11 0.48 -4.60 1.61 3.02 -1.26 -4.75 115.26 115.86 3lxm n ASN 122 Ca 0.00 -1.41 -0.42 0.00 -0.03 0.00 0.00 54.58 52.72 3lxm n ASN 122 Cb 0.00 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 3lxm n ASN 122 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3lxm s VAL 123 N -1.96 4.77 0.36 2.41 1.01 -0.67 -4.92 120.40 121.41 3lxm s VAL 123 Ca 0.34 0.98 -0.26 0.00 0.00 0.00 0.00 61.98 63.04 3lxm s VAL 123 Cb 0.16 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3lxm s VAL 123 CO 0.26 -0.34 1.07 -2.16 0.00 0.00 0.00 175.10 173.93 3lxm s PRO 124 N 3.00 4.33 -0.21 2.72 0.04 -1.26 -4.76 135.00 138.87 3lxm s PRO 124 Ca 0.31 1.62 -0.08 0.00 0.04 0.00 0.00 61.00 62.90 3lxm s PRO 124 Cb -0.14 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 3lxm s PRO 124 CO 0.15 -0.02 0.07 0.42 0.04 0.00 0.00 177.00 177.66 3lxm s ILE 125 N -1.47 4.67 -0.26 0.56 -1.09 -1.26 -1.19 121.20 121.16 3lxm s ILE 125 Ca 0.53 -0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.84 3lxm s ILE 125 Cb -0.26 -3.13 0.01 0.00 -1.58 0.00 0.00 42.46 37.50 3lxm s ILE 125 CO 0.33 0.41 0.00 -0.69 -1.23 0.00 0.00 174.94 173.76 3lxm s VAL 126 N 0.83 3.48 -0.25 2.92 1.01 0.44 -0.37 120.40 128.45 3lxm s VAL 126 Ca 0.04 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 3lxm s VAL 126 Cb -0.14 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3lxm s VAL 126 CO 0.02 0.22 1.19 0.21 0.00 0.00 0.00 175.10 176.75 3lxm s ASN 127 N 1.44 6.88 -0.01 3.32 2.47 -0.23 -1.27 114.94 127.54 3lxm s ASN 127 Ca 0.03 1.34 0.20 0.00 0.42 0.00 0.00 52.86 54.84 3lxm s ASN 127 Cb -0.16 -2.54 0.59 0.00 -1.45 0.00 0.00 41.25 37.69 3lxm s ASN 127 CO -0.01 -0.88 1.49 0.00 -3.72 0.00 0.00 177.10 173.99 3lxm n ALA 128 N 6.94 2.49 0.00 1.71 0.00 0.90 -4.45 120.51 128.09 3lxm n ALA 128 Ca 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.38 3lxm n ALA 128 Cb 0.46 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.48 3.80 2.77 0.00 0.00 -1.24 -4.82 105.19 107.18 3lxm n GLY 129 Ca 0.22 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3lxm n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lxm s ASP 130 N 0.00 4.13 0.46 1.61 2.15 -0.84 -1.89 116.67 122.29 3lxm s ASP 130 Ca 0.00 -1.72 0.00 0.00 0.43 0.00 0.00 52.55 51.26 3lxm s ASP 130 Cb 0.00 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.65 3lxm s ASP 130 CO 0.00 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 3lxm n GLY 131 N 4.76 -0.89 0.01 2.66 0.00 -0.68 -3.84 105.19 107.21 3lxm n GLY 131 Ca -0.01 -1.15 0.12 0.00 0.00 0.00 0.00 46.02 44.98 3lxm n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lxm n ALA 132 N 1.13 3.40 -0.04 4.61 0.00 -1.26 -4.53 120.51 123.81 3lxm n ALA 132 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 3lxm n ALA 132 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.48 3.24 -4.51 0.00 3.02 -1.26 -4.69 115.26 109.58 3lxm n ASN 133 Ca 0.06 -0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 3lxm n ASN 133 Cb 0.34 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 3lxm n ASN 133 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3lxm s GLN 134 N -2.19 3.17 -0.40 3.52 0.74 -1.25 -4.67 119.66 118.58 3lxm s GLN 134 Ca -0.10 -0.49 0.05 0.00 0.05 0.00 0.00 55.36 54.87 3lxm s GLN 134 Cb 0.03 -4.19 0.20 0.00 1.10 0.00 0.00 33.01 30.15 3lxm s GLN 134 CO 0.24 -1.97 0.41 0.72 -0.55 0.00 0.00 175.29 174.14 3lxm n HIS 135 N 8.57 -0.75 -0.31 1.67 8.25 -1.26 -1.99 115.22 129.40 3lxm n HIS 135 Ca 0.00 -3.39 0.10 0.00 -0.26 0.00 0.00 57.72 54.17 3lxm n HIS 135 Cb 0.47 0.05 0.32 0.00 1.12 0.00 0.00 29.99 31.95 3lxm n HIS 135 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3lxm h PRO 136 N 5.02 0.80 0.00 -0.41 0.13 -1.80 -1.74 132.00 134.01 3lxm h PRO 136 Ca 0.20 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.21 3lxm h PRO 136 Cb 0.90 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 3lxm h PRO 136 CO 0.40 0.53 -0.31 1.79 -0.23 0.00 0.00 178.00 180.18 3lxm h THR 137 N 0.82 0.70 -0.36 1.56 1.35 -1.96 -1.01 112.91 114.02 3lxm h THR 137 Ca 0.47 -1.41 -0.06 0.00 -0.55 0.00 0.00 66.41 64.86 3lxm h THR 137 Cb 0.62 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 3lxm h THR 137 CO -0.24 0.30 -0.01 -0.61 -0.25 0.00 0.00 175.52 174.72 3lxm h GLN 138 N 0.00 0.64 -0.49 4.72 5.75 -1.71 -1.37 115.11 122.65 3lxm h GLN 138 Ca -0.00 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.24 3lxm h GLN 138 Cb 0.90 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 3lxm h GLN 138 CO 0.04 0.76 0.10 1.15 -2.65 0.00 0.00 178.83 178.23 3lxm h THR 139 N 0.45 1.24 -0.52 2.39 2.02 -1.29 -0.82 112.91 116.38 3lxm h THR 139 Ca 0.10 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3lxm h THR 139 Cb 0.47 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3lxm h THR 139 CO 0.02 0.32 0.30 -0.07 0.37 0.00 0.00 175.52 176.46 3lxm h LEU 140 N 0.68 0.64 -0.97 2.58 3.38 -1.19 -0.14 115.31 120.29 3lxm h LEU 140 Ca 0.15 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3lxm h LEU 140 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3lxm h LEU 140 CO 0.01 0.53 -0.41 0.17 0.09 0.00 0.00 178.44 178.83 3lxm h LEU 141 N 0.70 0.23 -0.21 1.67 8.10 -0.99 0.77 115.31 125.57 3lxm h LEU 141 Ca 0.19 -0.09 -0.01 0.00 0.11 0.00 0.00 57.88 58.07 3lxm h LEU 141 Cb 0.02 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.17 3lxm h LEU 141 CO -0.03 0.62 0.08 0.44 -4.11 0.00 0.00 178.44 175.43 3lxm h ASP 142 N 0.18 0.30 -0.20 0.17 3.32 -0.78 -1.18 116.42 118.23 3lxm h ASP 142 Ca 0.02 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3lxm h ASP 142 Cb 0.80 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3lxm h ASP 142 CO 0.06 0.40 0.08 -0.07 -1.72 0.00 0.00 179.24 178.00 3lxm h LEU 143 N 0.18 0.27 -0.83 1.55 3.38 -0.83 -1.82 115.31 117.21 3lxm h LEU 143 Ca 0.07 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3lxm h LEU 143 Cb 0.20 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3lxm h LEU 143 CO -0.00 0.35 0.51 0.15 0.09 0.00 0.00 178.44 179.54 3lxm h PHE 144 N 0.17 0.95 -0.58 1.13 3.57 -0.82 -1.02 116.94 120.33 3lxm h PHE 144 Ca 0.07 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 3lxm h PHE 144 Cb 0.16 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3lxm h PHE 144 CO -0.01 0.49 -0.05 1.15 -2.23 0.00 0.00 178.31 177.65 3lxm h THR 145 N 0.95 1.27 -0.32 4.41 2.02 -0.95 -0.06 112.91 120.22 3lxm h THR 145 Ca 0.36 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 3lxm h THR 145 Cb 0.15 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3lxm h THR 145 CO -0.17 0.44 0.10 0.40 0.37 0.00 0.00 175.52 176.66 3lxm h ILE 146 N 0.96 1.21 -0.60 3.11 2.04 -0.94 -1.78 117.51 121.51 3lxm h ILE 146 Ca 0.16 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3lxm h ILE 146 Cb 0.62 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3lxm h ILE 146 CO 0.04 0.23 0.21 -0.61 0.00 0.00 0.00 178.15 178.02 3lxm h GLN 147 N 0.36 0.91 -0.28 2.37 4.15 -1.03 0.34 115.11 121.93 3lxm h GLN 147 Ca 0.10 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 3lxm h GLN 147 Cb 0.25 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3lxm h GLN 147 CO -0.00 0.79 0.13 1.49 -1.93 0.00 0.00 178.83 179.32 3lxm h GLU 148 N 0.84 0.40 0.00 1.69 4.81 -0.95 0.26 114.58 121.63 3lxm h GLU 148 Ca 0.20 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 3lxm h GLU 148 Cb 0.24 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3lxm h GLU 148 CO -0.01 0.39 -0.70 1.79 -0.73 0.00 0.00 179.01 179.75 3lxm h THR 149 N 0.32 0.71 0.00 0.32 1.35 -1.23 -3.35 112.91 111.02 3lxm h THR 149 Ca 0.10 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 3lxm h THR 149 Cb 0.12 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3lxm h THR 149 CO -0.01 0.40 -0.66 0.00 -0.25 0.00 0.00 175.52 175.00 3lxm n GLN 150 N -3.12 2.91 -0.99 4.72 1.13 0.10 -5.00 117.38 117.12 3lxm n GLN 150 Ca -0.01 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3lxm n GLN 150 Cb 0.74 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 30.03 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 1.34 0.42 3.64 1.08 0.00 0.92 -4.98 105.19 107.60 3lxm n GLY 151 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.43 0.66 0.00 1.61 1.70 -1.18 -5.00 118.95 116.30 3lxm s ARG 152 Ca 0.00 -0.33 0.03 0.00 -0.47 0.00 0.00 55.73 54.96 3lxm s ARG 152 Cb 0.00 0.24 0.04 0.00 -0.57 0.00 0.00 34.95 34.66 3lxm s ARG 152 CO 0.00 -0.30 0.71 1.28 -1.08 0.00 0.00 175.30 175.92 3lxm n LEU 153 N -0.38 1.51 -4.78 -1.89 4.77 -1.26 -4.07 117.00 110.89 3lxm n LEU 153 Ca -0.06 -1.22 -0.26 0.00 -0.03 0.00 0.00 56.01 54.44 3lxm n LEU 153 Cb 0.61 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 3lxm n LEU 153 CO 0.12 0.35 -0.23 -1.81 -1.33 0.00 0.00 177.39 174.49 3lxm s ASP 154 N -0.44 5.41 -1.42 -1.43 1.01 -1.26 -4.65 116.67 113.89 3lxm s ASP 154 Ca 0.05 -0.19 -0.08 0.00 0.71 0.00 0.00 52.55 53.04 3lxm s ASP 154 Cb 0.03 -1.37 0.04 0.00 1.01 0.00 0.00 42.92 42.63 3lxm s ASP 154 CO 0.04 0.06 0.90 0.59 0.21 0.00 0.00 175.17 176.97 3lxm n ASN 155 N -0.44 -3.53 -4.61 0.27 4.13 0.50 -4.91 115.26 106.67 3lxm n ASN 155 Ca -0.08 -0.76 -0.34 0.00 1.68 0.00 0.00 54.58 55.07 3lxm n ASN 155 Cb 0.55 -4.11 -0.11 0.00 -1.54 0.00 0.00 39.78 34.57 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 -3.44 3.85 -0.39 2.41 1.01 -1.25 -4.93 121.20 118.47 3lxm s ILE 156 Ca 0.39 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.44 3lxm s ILE 156 Cb -0.19 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.69 3lxm s ILE 156 CO 0.81 0.58 0.35 0.20 0.00 0.00 0.00 174.94 176.88 3lxm s ASN 157 N -0.89 6.15 -0.09 3.58 0.01 -1.26 -0.83 114.94 121.60 3lxm s ASN 157 Ca 0.13 -0.59 0.02 0.00 -0.71 0.00 0.00 52.86 51.71 3lxm s ASN 157 Cb -0.11 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.38 3lxm s ASN 157 CO 0.02 -0.43 -0.14 -0.51 -1.51 0.00 0.00 177.10 174.53 3lxm s ILE 158 N 1.92 1.34 -0.05 0.60 2.07 -0.48 -0.06 121.20 126.54 3lxm s ILE 158 Ca 0.09 -0.56 -0.04 0.00 -1.41 0.00 0.00 60.65 58.73 3lxm s ILE 158 Cb -0.18 -1.23 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 3lxm s ILE 158 CO 0.12 0.41 0.13 0.00 -1.91 0.00 0.00 174.94 173.68 3lxm s ALA 159 N 0.92 3.79 -0.12 1.50 0.00 -0.56 -0.92 121.76 126.36 3lxm s ALA 159 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3lxm s ALA 159 Cb -0.15 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.18 3lxm s ALA 159 CO 0.00 0.68 -0.12 -1.64 0.00 0.00 0.00 175.76 174.68 3lxm s MET 160 N -1.50 1.98 -0.03 0.00 -1.94 -0.13 -0.18 119.30 117.50 3lxm s MET 160 Ca 0.21 -0.44 0.05 0.00 -1.71 0.00 0.00 55.69 53.80 3lxm s MET 160 Cb -0.12 -1.84 -0.01 0.00 2.01 0.00 0.00 34.83 34.87 3lxm s MET 160 CO 0.11 -0.19 -0.19 0.08 -0.01 0.00 0.00 175.02 174.82 3lxm s VAL 161 N 1.40 1.57 0.00 -6.03 1.01 -0.40 -1.59 120.40 116.37 3lxm s VAL 161 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3lxm s VAL 161 Cb -0.13 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.92 3lxm s VAL 161 CO -0.07 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3lxm n GLY 162 N 2.86 0.32 3.46 4.51 0.00 -0.48 -0.87 105.19 115.00 3lxm n GLY 162 Ca -0.17 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 6.17 0.00 1.61 -1.08 -1.26 -4.27 116.67 113.84 3lxm s ASP 163 Ca 0.00 -0.92 0.25 0.00 -0.52 0.00 0.00 52.55 51.36 3lxm s ASP 163 Cb 0.00 -2.43 0.53 0.00 -1.46 0.00 0.00 42.92 39.56 3lxm s ASP 163 CO 0.00 -1.48 1.45 0.18 0.52 0.00 0.00 175.17 175.84 3lxm n LEU 164 N 7.89 2.43 -0.06 -1.34 4.77 -0.64 -3.03 117.00 127.01 3lxm n LEU 164 Ca -0.03 -0.83 -0.22 0.00 -0.03 0.00 0.00 56.01 54.90 3lxm n LEU 164 Cb 0.46 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.41 3lxm n LEU 164 CO 0.65 0.41 -0.81 1.17 -1.33 0.00 0.00 177.39 177.48 3lxm n LYS 165 N 0.89 0.66 -0.18 3.23 4.81 -1.11 -4.17 118.16 122.30 3lxm n LYS 165 Ca 0.16 0.37 0.07 0.00 -0.87 0.00 0.00 58.31 58.04 3lxm n LYS 165 Cb 0.50 -1.69 0.17 0.00 0.02 0.00 0.00 35.03 34.03 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 -3.89 0.47 -2.14 5.64 4.01 -1.26 -4.90 117.16 115.09 3lxm n TYR 166 Ca -0.35 -0.40 -0.37 0.00 -0.16 0.00 0.00 57.90 56.62 3lxm n TYR 166 Cb 0.89 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.87 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 -1.04 0.33 0.00 2.72 0.00 -1.17 -4.90 107.32 103.27 3lxm s GLY 167 Ca 0.27 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.01 3lxm s GLY 167 CO 0.20 3.29 0.84 -0.96 0.00 0.00 0.00 173.10 176.47 3lxm n ARG 168 N 9.15 0.00 0.18 2.90 0.00 -1.26 -2.60 116.66 125.02 3lxm n ARG 168 Ca 0.22 0.69 0.18 0.00 -0.00 0.00 0.00 57.85 58.94 3lxm n ARG 168 Cb 0.51 -1.34 0.81 0.00 -0.00 0.00 0.00 32.46 32.43 3lxm n ARG 168 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3lxm h THR 169 N 0.00 0.42 0.01 8.89 1.35 -1.88 -2.71 112.91 118.99 3lxm h THR 169 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.66 3lxm h THR 169 Cb 0.00 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 3lxm h THR 169 CO 0.00 0.00 -0.90 1.62 -0.25 0.00 0.00 175.52 175.99 3lxm h VAL 170 N 0.00 1.53 -0.16 6.82 3.04 -1.89 -2.23 116.25 123.36 3lxm h VAL 170 Ca 0.12 -2.76 -0.04 0.00 -1.01 0.00 0.00 66.70 63.00 3lxm h VAL 170 Cb 0.67 2.54 -0.00 0.00 -2.01 0.00 0.00 31.29 32.49 3lxm h VAL 170 CO -0.00 0.80 -0.07 0.45 -1.01 0.00 0.00 177.57 177.74 3lxm h HIS 171 N 0.07 0.38 -0.90 3.17 3.86 -1.44 -1.59 115.15 118.70 3lxm h HIS 171 Ca -0.04 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 3lxm h HIS 171 Cb 1.55 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.89 3lxm h HIS 171 CO 0.02 0.64 0.53 0.77 0.86 0.00 0.00 177.93 180.76 3lxm h SER 172 N 0.01 1.10 -0.22 2.45 0.02 -1.65 -1.48 113.55 113.77 3lxm h SER 172 Ca 0.04 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3lxm h SER 172 Cb 0.54 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3lxm h SER 172 CO 0.02 0.85 0.06 0.25 -1.14 0.00 0.00 176.83 176.87 3lxm h LEU 173 N 1.25 0.33 -0.38 5.07 5.85 -1.33 -1.12 115.31 124.98 3lxm h LEU 173 Ca 0.32 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3lxm h LEU 173 Cb -0.03 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3lxm h LEU 173 CO -0.06 0.47 0.17 0.74 -0.34 0.00 0.00 178.44 179.42 3lxm h THR 174 N 0.18 0.95 -0.46 1.05 2.02 -1.08 -1.37 112.91 114.20 3lxm h THR 174 Ca 0.07 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3lxm h THR 174 Cb 0.26 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3lxm h THR 174 CO -0.00 0.06 0.21 1.56 0.37 0.00 0.00 175.52 177.72 3lxm h GLN 175 N 0.35 0.65 -0.09 6.66 4.20 -1.12 -0.90 115.11 124.86 3lxm h GLN 175 Ca 0.17 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 3lxm h GLN 175 Cb 0.10 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3lxm h GLN 175 CO -0.13 0.52 -0.26 0.00 -0.67 0.00 0.00 178.83 178.29 3lxm h ALA 176 N 1.58 0.15 0.00 3.87 0.00 -0.83 -3.17 119.26 120.87 3lxm h ALA 176 Ca 0.16 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3lxm h ALA 176 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3lxm h ALA 176 CO -0.02 0.15 -0.24 -0.07 0.00 0.00 0.00 179.25 179.07 3lxm h LEU 177 N -0.13 0.00 -0.85 0.00 3.38 -1.11 -2.34 115.31 114.26 3lxm h LEU 177 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3lxm h LEU 177 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3lxm h LEU 177 CO 0.06 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.82 3lxm n ALA 178 N -2.37 1.52 1.26 1.53 0.00 -0.36 -1.44 120.51 120.66 3lxm n ALA 178 Ca -0.02 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.67 3lxm n ALA 178 Cb 0.33 -1.37 0.63 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.23 0.35 -3.07 0.00 5.02 -0.88 -4.86 118.16 112.48 3lxm n LYS 179 Ca 0.01 -0.07 -0.18 0.00 -2.02 0.00 0.00 58.31 56.05 3lxm n LYS 179 Cb 0.18 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.70 2.46 -0.05 2.13 0.08 -0.52 -5.07 117.98 114.31 3lxm s PHE 180 Ca 0.23 -0.49 -0.03 0.00 0.12 0.00 0.00 56.93 56.76 3lxm s PHE 180 Cb 0.20 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3lxm s PHE 180 CO 0.51 -0.57 0.11 1.21 -0.10 0.00 0.00 175.22 176.37 3lxm s ASN 181 N -4.41 5.95 -1.01 1.36 3.84 -1.26 -4.65 114.94 114.77 3lxm s ASN 181 Ca 0.56 0.28 0.00 0.00 0.21 0.00 0.00 52.86 53.90 3lxm s ASN 181 Cb -0.08 -1.81 0.00 0.00 -0.55 0.00 0.00 41.25 38.81 3lxm s ASN 181 CO 0.34 0.32 0.00 0.61 -2.79 0.00 0.00 177.10 175.58 3lxm n GLY 182 N 1.47 1.07 3.83 1.21 0.00 -1.26 -0.37 105.19 111.14 3lxm n GLY 182 Ca -0.15 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.66 6.50 -0.11 1.61 0.01 -1.26 -3.66 114.94 115.36 3lxm s ASN 183 Ca 0.00 1.65 0.01 0.00 -0.71 0.00 0.00 52.86 53.81 3lxm s ASN 183 Cb 0.00 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 39.16 3lxm s ASN 183 CO 0.00 -0.67 -0.12 -2.28 -1.51 0.00 0.00 177.10 172.53 3lxm s HIS 184 N -2.49 1.76 -0.16 2.20 5.65 -0.01 -3.88 115.29 118.36 3lxm s HIS 184 Ca 0.61 -0.88 -0.08 0.00 0.25 0.00 0.00 55.06 54.96 3lxm s HIS 184 Cb -0.11 -1.34 -0.04 0.00 -1.18 0.00 0.00 32.58 29.90 3lxm s HIS 184 CO 0.29 -0.51 0.13 -0.06 -0.65 0.00 0.00 174.74 173.93 3lxm s PHE 185 N 1.35 3.48 -0.26 3.88 0.08 -0.32 -1.39 117.98 124.81 3lxm s PHE 185 Ca -0.00 0.41 -0.01 0.00 0.12 0.00 0.00 56.93 57.44 3lxm s PHE 185 Cb -0.14 -2.05 0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3lxm s PHE 185 CO -0.06 0.50 -0.05 -0.06 -0.10 0.00 0.00 175.22 175.45 3lxm s PHE 186 N -0.31 3.14 -0.29 0.36 0.08 -0.10 -0.99 117.98 119.87 3lxm s PHE 186 Ca 0.11 -1.73 -0.10 0.00 0.12 0.00 0.00 56.93 55.33 3lxm s PHE 186 Cb -0.12 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 3lxm s PHE 186 CO 0.01 -0.77 0.15 -0.06 -0.10 0.00 0.00 175.22 174.45 3lxm s PHE 187 N 1.28 3.17 -0.29 0.36 0.08 -0.18 -0.95 117.98 121.45 3lxm s PHE 187 Ca -0.02 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 56.69 3lxm s PHE 187 Cb -0.18 -2.34 0.08 0.00 -0.57 0.00 0.00 43.02 40.00 3lxm s PHE 187 CO -0.04 -0.37 -0.03 0.42 -0.10 0.00 0.00 175.22 175.11 3lxm s ILE 188 N 1.65 2.05 0.08 0.64 1.01 -0.62 -2.58 121.20 123.44 3lxm s ILE 188 Ca 0.06 -1.83 -0.25 0.00 0.00 0.00 0.00 60.65 58.63 3lxm s ILE 188 Cb -0.16 -2.33 0.07 0.00 0.01 0.00 0.00 42.46 40.04 3lxm s ILE 188 CO 0.07 -0.29 0.60 0.00 0.00 0.00 0.00 174.94 175.32 3lxm s ALA 189 N 1.09 -1.57 0.88 9.38 0.00 -1.26 -1.38 121.76 128.91 3lxm s ALA 189 Ca -0.00 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 52.54 3lxm s ALA 189 Cb -0.19 0.54 0.04 0.00 0.00 0.00 0.00 23.12 23.51 3lxm s ALA 189 CO -0.07 -0.61 0.64 -2.30 0.00 0.00 0.00 175.76 173.43 3lxm n PRO 190 N 0.13 -0.12 -0.25 0.00 -0.02 -1.26 -4.78 135.00 128.70 3lxm n PRO 190 Ca -0.18 0.02 -0.06 0.00 -2.02 0.00 0.00 63.50 61.26 3lxm n PRO 190 Cb 0.62 -2.00 0.07 0.00 -0.02 0.00 0.00 33.50 32.16 3lxm n PRO 190 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3lxm h ASP 191 N -1.26 1.06 0.50 2.55 3.32 -1.99 -2.04 116.42 118.55 3lxm h ASP 191 Ca -0.44 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.40 3lxm h ASP 191 Cb 1.30 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3lxm h ASP 191 CO 0.39 0.99 0.00 0.00 -1.72 0.00 0.00 179.24 178.90 3lxm n ALA 192 N -2.45 1.53 -2.02 3.45 0.00 -1.26 -3.02 120.51 116.74 3lxm n ALA 192 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 3lxm n ALA 192 Cb 0.24 -1.29 0.11 0.00 0.00 0.00 0.00 19.45 18.51 3lxm n ALA 192 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3lxm n LEU 193 N -1.91 2.73 -4.76 0.00 4.77 -0.80 -4.93 117.00 112.10 3lxm n LEU 193 Ca 0.02 -3.60 -0.31 0.00 -0.03 0.00 0.00 56.01 52.09 3lxm n LEU 193 Cb 0.16 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 41.08 3lxm n LEU 193 CO 0.15 1.34 0.71 0.00 -1.33 0.00 0.00 177.39 178.25 3lxm s ALA 194 N -2.69 2.23 0.22 -1.18 0.00 -1.03 -1.63 121.76 117.68 3lxm s ALA 194 Ca 0.39 0.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 3lxm s ALA 194 Cb 0.38 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 20.09 3lxm s ALA 194 CO -0.06 -1.77 1.65 1.41 0.00 0.00 0.00 175.76 176.98 3lxm s MET 195 N -4.77 4.15 0.94 0.00 1.75 -1.26 -3.41 119.30 116.71 3lxm s MET 195 Ca 0.62 2.53 -0.11 0.00 -1.25 0.00 0.00 55.69 57.48 3lxm s MET 195 Cb -0.18 -3.08 0.16 0.00 2.84 0.00 0.00 34.83 34.57 3lxm s MET 195 CO 0.54 -0.68 1.10 -2.14 -0.65 0.00 0.00 175.02 173.19 3lxm s PRO 196 N 0.73 0.83 0.21 4.11 0.02 -1.26 -4.82 135.00 134.82 3lxm s PRO 196 Ca 0.70 1.12 -0.09 0.00 0.02 0.00 0.00 61.00 62.76 3lxm s PRO 196 Cb -0.48 -1.74 0.15 0.00 0.02 0.00 0.00 34.50 32.46 3lxm s PRO 196 CO 0.36 -2.62 1.80 0.00 -0.33 0.00 0.00 177.00 176.21 3lxm h ALA 197 N -1.84 1.00 0.00 -1.55 0.00 -1.99 -2.76 119.26 112.12 3lxm h ALA 197 Ca -0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3lxm h ALA 197 Cb 1.28 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3lxm h ALA 197 CO 0.49 0.56 -0.14 0.10 0.00 0.00 0.00 179.25 180.26 3lxm h TYR 198 N 1.09 0.00 -0.02 0.00 -0.00 -1.98 0.45 116.97 116.52 3lxm h TYR 198 Ca 0.27 0.00 -0.18 0.00 -0.00 0.00 0.00 58.73 58.82 3lxm h TYR 198 Cb 0.11 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.85 3lxm h TYR 198 CO 0.01 0.14 -0.68 0.82 -0.00 0.00 0.00 178.16 178.45 3lxm h ILE 199 N 0.00 1.39 -0.20 -0.90 1.08 -1.86 -2.49 117.51 114.53 3lxm h ILE 199 Ca -0.00 -2.08 -0.05 0.00 -0.39 0.00 0.00 64.86 62.34 3lxm h ILE 199 Cb 0.27 2.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 3lxm h ILE 199 CO 0.02 0.62 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.92 3lxm h LEU 200 N 0.03 0.30 -0.25 1.44 4.07 -1.05 -2.16 115.31 117.68 3lxm h LEU 200 Ca -0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 3lxm h LEU 200 Cb 1.37 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.02 3lxm h LEU 200 CO 0.13 0.44 0.10 -0.61 -1.08 0.00 0.00 178.44 177.42 3lxm h GLN 201 N 0.30 0.37 -0.33 1.13 5.75 -0.06 -0.54 115.11 121.73 3lxm h GLN 201 Ca 0.06 -0.07 -0.15 0.00 -0.15 0.00 0.00 58.65 58.35 3lxm h GLN 201 Cb 0.38 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3lxm h GLN 201 CO 0.02 0.41 -0.38 0.00 -2.65 0.00 0.00 178.83 176.23 3lxm h MET 202 N 0.25 0.78 -0.93 1.69 -0.00 -1.15 -1.16 114.93 114.42 3lxm h MET 202 Ca 0.08 -0.40 -0.00 0.00 -0.00 0.00 0.00 59.70 59.38 3lxm h MET 202 Cb 0.18 0.01 -0.04 0.00 -0.00 0.00 0.00 31.60 31.74 3lxm h MET 202 CO -0.01 1.03 0.56 -0.07 -0.00 0.00 0.00 176.91 178.42 3lxm h LEU 203 N 0.64 1.11 -0.42 -0.10 3.38 -1.24 0.62 115.31 119.30 3lxm h LEU 203 Ca 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3lxm h LEU 203 Cb 0.93 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3lxm h LEU 203 CO 0.09 0.85 0.17 -0.33 0.09 0.00 0.00 178.44 179.30 3lxm h GLU 204 N 1.28 0.64 0.00 1.13 5.08 -0.66 0.12 114.58 122.16 3lxm h GLU 204 Ca 0.33 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3lxm h GLU 204 Cb -0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3lxm h GLU 204 CO -0.06 0.59 -0.28 0.93 -1.00 0.00 0.00 179.01 179.19 3lxm h GLU 205 N 0.54 0.00 -0.02 2.33 5.08 -0.66 -1.60 114.58 120.25 3lxm h GLU 205 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3lxm h GLU 205 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3lxm h GLU 205 CO -0.01 0.28 -0.04 1.63 -1.00 0.00 0.00 179.01 179.86 3lxm n LYS 206 N -3.52 1.65 -3.27 2.33 5.02 0.16 -4.95 118.16 115.57 3lxm n LYS 206 Ca -0.00 -1.04 -0.20 0.00 -2.02 0.00 0.00 58.31 55.05 3lxm n LYS 206 Cb 0.43 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.23 -5.99 -3.62 1.97 1.02 -0.50 -4.99 120.64 108.76 3lxm n GLU 207 Ca 0.17 0.73 -0.36 0.00 -0.02 0.00 0.00 57.16 57.69 3lxm n GLU 207 Cb 0.39 -5.38 -0.08 0.00 -0.02 0.00 0.00 31.44 26.35 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 -3.21 5.35 0.15 -3.67 1.01 0.31 -5.03 121.20 116.11 3lxm s ILE 208 Ca 0.43 0.35 -0.30 0.00 0.00 0.00 0.00 60.65 61.12 3lxm s ILE 208 Cb -0.19 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.66 3lxm s ILE 208 CO 0.53 0.39 1.21 -0.70 0.00 0.00 0.00 174.94 176.37 3lxm s GLU 209 N 0.60 4.47 0.05 2.79 2.12 -1.25 -4.48 118.70 123.00 3lxm s GLU 209 Ca 0.12 1.87 -0.04 0.00 0.36 0.00 0.00 54.97 57.28 3lxm s GLU 209 Cb -0.12 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 3lxm s GLU 209 CO 0.02 -0.15 0.05 1.52 -0.54 0.00 0.00 175.26 176.16 3lxm s TYR 210 N 0.26 0.33 -0.02 5.30 -0.85 -1.26 -1.17 117.35 119.93 3lxm s TYR 210 Ca 0.55 -0.76 -0.16 0.00 -0.52 0.00 0.00 57.07 56.17 3lxm s TYR 210 Cb -0.32 -0.24 0.03 0.00 0.38 0.00 0.00 41.96 41.81 3lxm s TYR 210 CO 0.35 -0.39 0.35 -1.54 -1.52 0.00 0.00 175.55 172.80 3lxm s SER 211 N -2.54 -0.25 -0.02 -0.18 1.04 -0.16 -4.93 113.70 106.67 3lxm s SER 211 Ca 0.01 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.63 3lxm s SER 211 Cb 0.03 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3lxm s SER 211 CO -0.08 -0.44 0.01 -0.76 0.98 0.00 0.00 173.24 172.95 3lxm s LEU 212 N -1.22 3.55 -0.02 2.42 1.02 -1.26 -1.01 118.68 122.16 3lxm s LEU 212 Ca -0.13 0.04 -0.05 0.00 0.02 0.00 0.00 54.13 54.01 3lxm s LEU 212 Cb -0.05 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.18 3lxm s LEU 212 CO 0.05 0.30 0.10 -1.00 0.02 0.00 0.00 176.35 175.82 3lxm s HIS 213 N -1.05 -0.02 0.22 0.29 3.76 -1.06 -4.96 115.29 112.47 3lxm s HIS 213 Ca 0.18 0.05 0.19 0.00 -0.15 0.00 0.00 55.06 55.33 3lxm s HIS 213 Cb -0.11 -0.02 0.75 0.00 1.11 0.00 0.00 32.58 34.31 3lxm s HIS 213 CO 0.09 -0.15 1.77 0.93 -0.85 0.00 0.00 174.74 176.53 3lxm h GLU 214 N 5.22 0.00 -3.16 1.40 5.08 -1.92 -3.37 114.58 117.83 3lxm h GLU 214 Ca -0.28 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3lxm h GLU 214 Cb 1.20 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 3lxm h GLU 214 CO 0.42 0.36 0.12 -1.54 -1.00 0.00 0.00 179.01 177.37 3lxm s SER 215 N -6.48 -0.32 0.15 1.42 1.04 -1.26 -4.78 113.70 103.47 3lxm s SER 215 Ca -0.01 -0.44 -0.16 0.00 0.48 0.00 0.00 55.95 55.82 3lxm s SER 215 Cb 0.12 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3lxm s SER 215 CO 0.68 -1.13 1.79 -0.07 0.98 0.00 0.00 173.24 175.49 3lxm h LEU 216 N 2.10 0.46 -0.65 2.42 3.38 -1.95 -3.32 115.31 117.76 3lxm h LEU 216 Ca -0.27 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.72 3lxm h LEU 216 Cb 1.27 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 3lxm h LEU 216 CO 0.33 0.36 -0.38 -0.62 0.09 0.00 0.00 178.44 178.22 3lxm n GLU 217 N -4.79 -0.28 0.27 1.13 1.02 -1.26 -0.96 120.64 115.76 3lxm n GLU 217 Ca 0.00 0.98 0.13 0.00 -0.02 0.00 0.00 57.16 58.25 3lxm n GLU 217 Cb 0.04 -1.44 0.78 0.00 -0.02 0.00 0.00 31.44 30.80 3lxm n GLU 217 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3lxm h GLU 218 N 0.00 0.00 -0.01 3.49 4.11 -1.99 -3.24 114.58 116.95 3lxm h GLU 218 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3lxm h GLU 218 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3lxm h GLU 218 CO -0.61 0.09 -0.01 1.33 0.07 0.00 0.00 179.01 179.88 3lxm n VAL 219 N -3.71 0.00 -0.29 -1.06 0.24 -0.13 -4.72 118.33 108.66 3lxm n VAL 219 Ca -0.02 -0.49 0.08 0.00 -2.04 0.00 0.00 64.34 61.87 3lxm n VAL 219 Cb 0.20 1.12 0.24 0.00 -1.47 0.00 0.00 33.84 33.93 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 1.17 0.65 -0.14 3.34 2.07 -1.39 -0.70 116.25 121.25 3lxm h VAL 220 Ca 0.00 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3lxm h VAL 220 Cb 0.26 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3lxm h VAL 220 CO 0.00 0.10 0.19 -0.65 0.02 0.00 0.00 177.57 177.23 3lxm h PRO 221 N 0.54 0.00 0.00 1.57 0.11 -1.84 -2.46 132.00 129.91 3lxm h PRO 221 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3lxm h PRO 221 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3lxm h PRO 221 CO -0.41 0.00 -0.63 0.93 -0.21 0.00 0.00 178.00 177.68 3lxm h GLU 222 N 0.00 0.00 -6.63 1.05 5.08 -1.45 -3.40 114.58 109.23 3lxm h GLU 222 Ca 0.07 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.92 3lxm h GLU 222 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3lxm h GLU 222 CO -0.00 0.00 0.29 -0.51 -1.00 0.00 0.00 179.01 177.79 3lxm s LEU 223 N -4.63 4.60 -0.17 1.33 1.43 -0.93 -4.72 118.68 115.60 3lxm s LEU 223 Ca 0.05 1.81 0.06 0.00 -1.03 0.00 0.00 54.13 55.02 3lxm s LEU 223 Cb 0.12 -3.49 -0.22 0.00 0.03 0.00 0.00 46.19 42.62 3lxm s LEU 223 CO 0.72 0.13 0.17 0.47 0.23 0.00 0.00 176.35 178.07 3lxm n ASP 224 N 1.82 1.26 -3.93 2.29 8.00 0.92 -4.50 116.55 122.41 3lxm n ASP 224 Ca -0.02 0.09 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 3lxm n ASP 224 Cb 0.48 -0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.36 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 0.55 -0.31 0.53 -1.09 -0.84 -1.90 121.20 115.60 3lxm s ILE 225 Ca -0.19 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 3lxm s ILE 225 Cb 0.07 -0.52 0.07 0.00 -1.58 0.00 0.00 42.46 40.50 3lxm s ILE 225 CO 0.75 0.20 -0.00 -0.22 -1.23 0.00 0.00 174.94 174.43 3lxm s LEU 226 N 0.47 4.10 -0.44 2.97 2.96 -0.48 -1.49 118.68 126.76 3lxm s LEU 226 Ca -0.06 -1.59 -0.16 0.00 -0.22 0.00 0.00 54.13 52.10 3lxm s LEU 226 Cb -0.10 -1.65 0.05 0.00 0.50 0.00 0.00 46.19 44.98 3lxm s LEU 226 CO 0.00 -0.30 0.37 -0.47 -1.32 0.00 0.00 176.35 174.64 3lxm s TYR 227 N 1.11 3.23 -0.13 5.38 5.04 0.75 -0.85 117.35 131.88 3lxm s TYR 227 Ca -0.01 -0.72 -0.18 0.00 -2.44 0.00 0.00 57.07 53.71 3lxm s TYR 227 Cb -0.20 -2.93 -0.04 0.00 0.35 0.00 0.00 41.96 39.14 3lxm s TYR 227 CO -0.04 -0.72 0.49 -1.64 -1.34 0.00 0.00 175.55 172.30 3lxm s MET 228 N 1.76 4.32 0.46 4.97 -1.94 0.12 -1.28 119.30 127.71 3lxm s MET 228 Ca 0.06 0.45 0.00 0.00 -1.71 0.00 0.00 55.69 54.49 3lxm s MET 228 Cb -0.21 -3.46 -0.00 0.00 2.01 0.00 0.00 34.83 33.17 3lxm s MET 228 CO 0.09 0.10 0.69 0.95 -0.01 0.00 0.00 175.02 176.84 3lxm s THR 229 N 0.80 3.93 -1.16 2.05 -4.23 -0.05 -4.15 115.64 112.84 3lxm s THR 229 Ca 0.26 -0.47 -0.18 0.00 -1.18 0.00 0.00 61.69 60.11 3lxm s THR 229 Cb -0.15 -3.46 0.10 0.00 1.34 0.00 0.00 72.50 70.33 3lxm s THR 229 CO 0.10 -0.33 1.51 -0.60 -0.54 0.00 0.00 174.62 174.76 3lxm s ARG 230 N -4.59 3.86 0.23 3.99 3.52 -1.26 -4.77 118.95 119.93 3lxm s ARG 230 Ca 0.49 -1.89 -0.30 0.00 -0.13 0.00 0.00 55.73 53.90 3lxm s ARG 230 Cb -0.10 -5.30 -0.09 0.00 -1.56 0.00 0.00 34.95 27.91 3lxm s ARG 230 CO 0.38 -2.06 1.04 -1.14 -0.81 0.00 0.00 175.30 172.71 3lxm s GLN 247 N 3.57 4.70 -0.16 5.12 2.00 -1.26 -4.76 119.66 128.87 3lxm s GLN 247 Ca 0.46 1.65 0.17 0.00 -2.00 0.00 0.00 55.36 55.65 3lxm s GLN 247 Cb 0.00 -3.26 0.38 0.00 0.80 0.00 0.00 33.01 30.93 3lxm s GLN 247 CO -0.01 0.27 1.25 1.19 -0.50 0.00 0.00 175.29 177.49 3lxm n PHE 248 N 1.73 0.32 -2.42 1.67 3.72 -1.26 -5.01 117.46 116.21 3lxm n PHE 248 Ca -0.00 -1.03 -0.41 0.00 -0.05 0.00 0.00 57.45 55.96 3lxm n PHE 248 Cb 0.46 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 3lxm n PHE 248 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3lxm s ILE 249 N -2.91 3.75 -0.12 4.37 1.01 -1.26 -4.87 121.20 121.17 3lxm s ILE 249 Ca 0.36 1.43 -0.17 0.00 0.00 0.00 0.00 60.65 62.28 3lxm s ILE 249 Cb 0.31 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 3lxm s ILE 249 CO 0.04 0.21 0.42 -0.22 0.00 0.00 0.00 174.94 175.39 3lxm s LEU 250 N -0.04 4.28 0.17 2.97 2.96 0.85 -4.99 118.68 124.88 3lxm s LEU 250 Ca 0.53 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3lxm s LEU 250 Cb -0.31 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 3lxm s LEU 250 CO 0.35 0.05 -0.11 0.00 -1.32 0.00 0.00 176.35 175.32 3lxm s ARG 251 N 0.45 1.14 0.40 1.98 1.70 -1.26 -0.94 118.95 122.42 3lxm s ARG 251 Ca 0.23 -1.50 0.12 0.00 -0.47 0.00 0.00 55.73 54.12 3lxm s ARG 251 Cb -0.15 -0.76 0.94 0.00 -0.57 0.00 0.00 34.95 34.41 3lxm s ARG 251 CO 0.09 0.10 1.92 0.66 -1.08 0.00 0.00 175.30 176.99 3lxm h SER 252 N 2.71 0.50 -0.15 -2.89 4.64 -1.89 -0.20 113.55 116.26 3lxm h SER 252 Ca -0.37 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.01 3lxm h SER 252 Cb 1.20 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3lxm h SER 252 CO 0.63 0.27 0.11 0.28 -0.87 0.00 0.00 176.83 177.26 3lxm h SER 253 N 0.54 0.02 0.34 4.97 0.02 -1.96 -1.06 113.55 116.42 3lxm h SER 253 Ca 0.36 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3lxm h SER 253 Cb 0.67 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3lxm h SER 253 CO -0.13 0.02 0.00 0.47 -1.14 0.00 0.00 176.83 176.05 3lxm n ASP 254 N -4.50 0.00 -0.94 3.07 8.00 -0.09 -3.42 116.55 118.68 3lxm n ASP 254 Ca 0.01 -0.07 0.08 0.00 0.71 0.00 0.00 54.79 55.51 3lxm n ASP 254 Cb 0.22 -0.26 0.22 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.26 3.39 -4.75 0.64 4.77 -0.40 -4.83 117.00 114.56 3lxm n LEU 255 Ca 0.10 -2.05 -0.41 0.00 -0.03 0.00 0.00 56.01 53.62 3lxm n LEU 255 Cb 0.15 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3lxm n LEU 255 CO 0.15 0.82 0.93 0.42 -1.33 0.00 0.00 177.39 178.39 3lxm s THR 256 N -1.09 3.13 0.00 -5.08 -4.23 -1.22 -2.25 115.64 104.91 3lxm s THR 256 Ca 0.34 1.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 3lxm s THR 256 Cb 0.18 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.36 3lxm s THR 256 CO 0.22 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 3lxm n GLY 257 N 1.56 0.73 3.72 3.99 0.00 -1.26 -4.84 105.19 109.09 3lxm n GLY 257 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.69 2.02 0.36 4.61 0.00 -0.95 -4.15 121.76 120.96 3lxm s ALA 258 Ca 0.00 0.62 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 3lxm s ALA 258 Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 3lxm s ALA 258 CO 0.00 -2.02 1.12 1.03 0.00 0.00 0.00 175.76 175.90 3lxm s ARG 259 N -4.35 4.25 0.53 0.00 0.52 -1.26 -4.93 118.95 113.71 3lxm s ARG 259 Ca 0.68 1.75 0.24 0.00 -0.52 0.00 0.00 55.73 57.88 3lxm s ARG 259 Cb -0.24 -2.79 1.39 0.00 0.52 0.00 0.00 34.95 33.83 3lxm s ARG 259 CO 0.50 -0.12 2.03 -0.44 0.02 0.00 0.00 175.30 177.30 3lxm h ASP 260 N 2.95 0.00 -0.06 0.23 3.32 -1.94 -0.89 116.42 120.03 3lxm h ASP 260 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3lxm h ASP 260 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3lxm h ASP 260 CO 0.64 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.70 3lxm n ASN 261 N -4.37 1.25 -4.71 6.45 6.94 -1.26 -4.92 115.26 114.63 3lxm n ASN 261 Ca 0.07 -1.49 -0.42 0.00 -0.02 0.00 0.00 54.58 52.72 3lxm n ASN 261 Cb 0.49 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.85 3lxm n ASN 261 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3lxm s LEU 262 N -1.85 4.38 -0.07 -4.53 2.96 -0.34 -4.88 118.68 114.35 3lxm s LEU 262 Ca 0.37 2.84 0.05 0.00 -0.22 0.00 0.00 54.13 57.16 3lxm s LEU 262 Cb 0.20 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.28 3lxm s LEU 262 CO 0.31 -0.98 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.61 3lxm s LYS 263 N 1.52 2.73 -0.25 1.98 -0.14 -0.80 -4.43 119.74 120.35 3lxm s LYS 263 Ca 0.76 -0.84 -0.13 0.00 -1.36 0.00 0.00 55.97 54.40 3lxm s LYS 263 Cb -0.49 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 3lxm s LYS 263 CO 0.33 0.37 0.27 0.08 -0.76 0.00 0.00 175.35 175.63 3lxm s VAL 264 N -0.11 5.27 0.28 3.17 1.01 0.87 -1.38 120.40 129.51 3lxm s VAL 264 Ca -0.04 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.42 3lxm s VAL 264 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3lxm s VAL 264 CO 0.04 0.26 -0.04 -0.76 0.00 0.00 0.00 175.10 174.61 3lxm s LEU 265 N 1.48 3.06 -0.29 3.92 1.43 -0.03 -1.27 118.68 126.98 3lxm s LEU 265 Ca 0.12 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.31 3lxm s LEU 265 Cb -0.15 -1.56 0.12 0.00 0.03 0.00 0.00 46.19 44.63 3lxm s LEU 265 CO 0.08 -0.02 0.82 -2.28 0.23 0.00 0.00 176.35 175.18 3lxm s HIS 266 N -2.38 -0.88 -0.17 0.29 2.46 -1.26 -0.70 115.29 112.65 3lxm s HIS 266 Ca 0.32 1.71 0.28 0.00 0.47 0.00 0.00 55.06 57.83 3lxm s HIS 266 Cb -0.06 0.53 1.26 0.00 -0.13 0.00 0.00 32.58 34.18 3lxm s HIS 266 CO 0.19 -0.44 1.84 -1.00 -2.47 0.00 0.00 174.74 172.86 3lxm h PRO 267 N 6.83 0.00 -1.17 2.88 0.13 -1.95 -3.46 132.00 135.26 3lxm h PRO 267 Ca -0.26 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3lxm h PRO 267 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3lxm h PRO 267 CO 0.16 0.00 -0.33 1.28 -0.23 0.00 0.00 178.00 178.88 3lxm n LEU 268 N -2.55 -0.49 -4.85 1.56 4.77 -1.26 -5.01 117.00 109.16 3lxm n LEU 268 Ca 0.01 0.88 -0.32 0.00 -0.03 0.00 0.00 56.01 56.55 3lxm n LEU 268 Cb 0.20 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3lxm n LEU 268 CO 0.20 -0.34 0.70 -2.16 -1.33 0.00 0.00 177.39 174.46 3lxm s PRO 269 N -4.26 3.78 0.09 3.23 0.04 -1.26 -5.07 135.00 131.56 3lxm s PRO 269 Ca 0.00 0.88 0.02 0.00 0.04 0.00 0.00 61.00 61.94 3lxm s PRO 269 Cb 0.00 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3lxm s PRO 269 CO 0.00 -0.41 0.17 -0.98 0.04 0.00 0.00 177.00 175.82 3lxm s ARG 270 N -4.52 3.21 0.00 4.56 1.70 -1.26 -4.88 118.95 117.75 3lxm s ARG 270 Ca 0.57 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 55.24 3lxm s ARG 270 Cb -0.11 -2.89 0.00 0.00 -0.57 0.00 0.00 34.95 31.39 3lxm s ARG 270 CO 0.41 0.57 0.00 -0.89 -1.08 0.00 0.00 175.30 174.30 3lxm n ILE 271 N 0.12 0.00 0.68 4.99 2.08 -1.26 -4.98 119.36 121.00 3lxm n ILE 271 Ca -0.07 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.31 3lxm n ILE 271 Cb 0.52 -0.13 -0.05 0.00 -0.75 0.00 0.00 39.64 39.23 3lxm n ILE 271 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3lxm n ASP 272 N -0.21 1.01 0.23 4.38 8.00 -1.26 -4.60 116.55 124.11 3lxm n ASP 272 Ca 0.00 -1.01 0.16 0.00 0.71 0.00 0.00 54.79 54.65 3lxm n ASP 272 Cb 0.00 0.80 0.62 0.00 -0.02 0.00 0.00 41.12 42.52 3lxm n ASP 272 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3lxm h GLU 273 N 0.63 0.00 -4.21 -1.24 9.09 -1.93 -3.38 114.58 113.54 3lxm h GLU 273 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 3lxm h GLU 273 Cb 0.41 0.00 -0.38 0.00 -1.65 0.00 0.00 28.75 27.13 3lxm h GLU 273 CO 0.00 0.00 -0.80 0.42 0.05 0.00 0.00 179.01 178.68 3lxm s ILE 274 N -3.55 1.13 0.65 -1.06 1.01 -1.26 -0.11 121.20 118.01 3lxm s ILE 274 Ca 0.02 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3lxm s ILE 274 Cb 0.09 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 3lxm s ILE 274 CO 0.51 0.19 1.09 0.42 0.00 0.00 0.00 174.94 177.14 3lxm s THR 275 N 1.63 3.48 0.48 2.92 -4.23 -0.11 -4.90 115.64 114.90 3lxm s THR 275 Ca 0.02 0.66 0.30 0.00 -1.18 0.00 0.00 61.69 61.48 3lxm s THR 275 Cb -0.15 -3.19 0.33 0.00 1.34 0.00 0.00 72.50 70.84 3lxm s THR 275 CO -0.08 -0.46 2.15 0.71 -0.54 0.00 0.00 174.62 176.41 3lxm h THR 276 N -0.01 0.46 0.00 3.99 1.35 -1.95 -2.21 112.91 114.55 3lxm h THR 276 Ca -0.46 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3lxm h THR 276 Cb 1.23 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3lxm h THR 276 CO 0.55 0.07 0.00 -2.24 -0.25 0.00 0.00 175.52 173.65 3lxm h ASP 277 N 0.00 0.00 0.76 5.36 3.04 -1.95 -1.65 116.42 121.98 3lxm h ASP 277 Ca -0.00 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.68 3lxm h ASP 277 Cb 0.21 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.49 3lxm h ASP 277 CO 0.01 0.00 -0.52 0.58 -2.04 0.00 0.00 179.24 177.27 3lxm h VAL 278 N 0.00 1.18 -0.61 4.15 2.07 -1.74 -3.32 116.25 117.97 3lxm h VAL 278 Ca 0.00 -1.90 0.09 0.00 0.82 0.00 0.00 66.70 65.71 3lxm h VAL 278 Cb 0.11 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3lxm h VAL 278 CO 0.00 0.51 0.41 0.44 0.02 0.00 0.00 177.57 178.95 3lxm h ASP 279 N 0.00 0.43 -0.43 0.57 3.32 -1.47 -1.29 116.42 117.55 3lxm h ASP 279 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3lxm h ASP 279 Cb 1.04 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3lxm h ASP 279 CO 0.07 0.26 0.00 0.29 -1.72 0.00 0.00 179.24 178.14 3lxm n LYS 280 N -4.48 2.49 -1.84 3.56 4.76 -1.25 -4.76 118.16 116.65 3lxm n LYS 280 Ca 0.10 -2.26 -0.30 0.00 -2.87 0.00 0.00 58.31 52.97 3lxm n LYS 280 Cb 0.33 -1.52 0.04 0.00 -1.84 0.00 0.00 35.03 32.04 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 -1.45 3.78 -0.82 -0.18 -4.23 -0.49 -4.94 115.64 107.31 3lxm s THR 281 Ca 0.40 0.58 0.18 0.00 -1.18 0.00 0.00 61.69 61.67 3lxm s THR 281 Cb 0.23 -3.54 0.17 0.00 1.34 0.00 0.00 72.50 70.70 3lxm s THR 281 CO 0.32 -0.76 1.56 -0.81 -0.54 0.00 0.00 174.62 174.39 3lxm n PRO 282 N -2.99 0.07 0.10 3.99 -0.04 -1.26 -3.20 135.00 131.67 3lxm n PRO 282 Ca 0.07 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 3lxm n PRO 282 Cb 0.56 -1.63 0.10 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.78 0.54 0.05 -1.87 -3.47 116.97 109.44 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 0.30 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.07 3lxm h TYR 283 CO 0.00 0.00 0.92 0.00 -1.05 0.00 0.00 178.16 178.03 3lxm s ALA 284 N -3.26 3.70 0.00 3.88 0.00 -1.19 -0.09 121.76 124.80 3lxm s ALA 284 Ca 0.03 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3lxm s ALA 284 Cb 0.11 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3lxm s ALA 284 CO 0.74 -0.93 0.76 0.98 0.00 0.00 0.00 175.76 177.32 3lxm n TYR 285 N 4.83 0.00 -0.09 0.00 9.36 -0.40 -4.84 117.16 126.03 3lxm n TYR 285 Ca 0.14 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.31 3lxm n TYR 285 Cb 0.40 0.03 0.14 0.00 -0.63 0.00 0.00 39.34 39.27 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 0.82 -0.05 2.98 -0.00 -1.83 0.10 116.97 118.99 3lxm h TYR 286 Ca 0.00 -0.15 -0.14 0.00 -0.00 0.00 0.00 58.73 58.44 3lxm h TYR 286 Cb 1.23 -0.21 0.01 0.00 -0.00 0.00 0.00 36.73 37.76 3lxm h TYR 286 CO 0.00 0.83 -0.52 0.74 -0.00 0.00 0.00 178.16 179.21 3lxm h PHE 287 N 0.68 0.63 -0.91 0.10 0.04 -1.91 -1.94 116.94 113.62 3lxm h PHE 287 Ca 0.12 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.58 3lxm h PHE 287 Cb 0.58 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 3lxm h PHE 287 CO 0.03 1.09 0.57 1.96 -0.60 0.00 0.00 178.31 181.37 3lxm h GLN 288 N -0.02 1.22 -0.33 1.51 7.50 -1.90 -0.45 115.11 122.64 3lxm h GLN 288 Ca -0.05 -0.09 0.03 0.00 0.50 0.00 0.00 58.65 59.03 3lxm h GLN 288 Cb 1.19 -0.27 -0.03 0.00 0.05 0.00 0.00 27.48 28.43 3lxm h GLN 288 CO 0.11 0.84 0.15 0.37 -1.50 0.00 0.00 178.83 178.79 3lxm h GLN 289 N 1.25 0.30 -0.51 1.46 4.15 -0.76 0.51 115.11 121.52 3lxm h GLN 289 Ca 0.33 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 3lxm h GLN 289 Cb -0.09 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3lxm h GLN 289 CO -0.07 0.20 0.27 0.00 -1.93 0.00 0.00 178.83 177.30 3lxm h ALA 290 N 1.19 0.65 -0.63 3.38 0.00 -0.69 -1.41 119.26 121.75 3lxm h ALA 290 Ca 0.14 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.07 3lxm h ALA 290 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3lxm h ALA 290 CO -0.12 0.19 0.43 0.78 0.00 0.00 0.00 179.25 180.53 3lxm h GLY 291 N 0.68 0.51 2.00 0.00 0.00 -0.53 -1.01 103.07 104.72 3lxm h GLY 291 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3lxm h GLY 291 CO -0.03 0.07 0.00 3.43 0.00 0.00 0.00 176.54 180.01 3lxm h ASN 292 N 0.33 0.00 -0.81 0.19 2.35 0.23 -2.74 115.58 115.14 3lxm h ASN 292 Ca 0.30 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.18 3lxm h ASN 292 Cb 0.72 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.04 3lxm h ASN 292 CO -0.08 0.00 0.53 1.23 -1.65 0.00 0.00 177.43 177.46 3lxm h GLY 293 N 1.66 0.99 0.75 2.83 0.00 -1.10 -0.68 103.07 107.52 3lxm h GLY 293 Ca 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.12 3lxm h GLY 293 CO 0.00 0.11 0.53 -2.22 0.00 0.00 0.00 176.54 174.96 3lxm h ILE 294 N 0.62 1.06 0.02 2.60 1.08 -1.65 -0.26 117.51 120.98 3lxm h ILE 294 Ca 0.39 -0.33 -0.26 0.00 -0.39 0.00 0.00 64.86 64.27 3lxm h ILE 294 Cb 0.66 -0.00 0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3lxm h ILE 294 CO -0.15 0.18 -1.05 -0.26 -0.69 0.00 0.00 178.15 176.17 3lxm h PHE 295 N 0.97 0.89 -0.43 1.37 0.04 -1.35 0.57 116.94 118.99 3lxm h PHE 295 Ca 0.36 -0.50 -0.03 0.00 2.80 0.00 0.00 57.97 60.60 3lxm h PHE 295 Cb 0.14 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3lxm h PHE 295 CO -0.03 1.33 0.15 0.00 -0.60 0.00 0.00 178.31 179.16 3lxm h ALA 296 N 0.50 0.56 -0.03 2.45 0.00 -1.17 -0.23 119.26 121.35 3lxm h ALA 296 Ca -0.12 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 3lxm h ALA 296 Cb 1.71 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.34 3lxm h ALA 296 CO 0.20 0.20 -0.92 0.00 0.00 0.00 0.00 179.25 178.73 3lxm h ARG 297 N 0.56 0.54 -0.50 0.00 3.08 -1.04 -2.53 114.38 114.48 3lxm h ARG 297 Ca 0.14 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 3lxm h ARG 297 Cb 0.24 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3lxm h ARG 297 CO -0.01 1.17 0.22 1.96 -1.07 0.00 0.00 179.97 182.24 3lxm h GLN 298 N 0.32 0.73 -0.52 0.04 4.20 -0.74 -1.79 115.11 117.36 3lxm h GLN 298 Ca -0.08 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.55 3lxm h GLN 298 Cb 1.55 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.17 3lxm h GLN 298 CO 0.17 0.63 0.27 0.00 -0.67 0.00 0.00 178.83 179.23 3lxm h ALA 299 N 1.06 0.66 -0.26 3.87 0.00 -0.94 0.12 119.26 123.78 3lxm h ALA 299 Ca 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3lxm h ALA 299 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3lxm h ALA 299 CO -0.02 -0.07 0.07 1.25 0.00 0.00 0.00 179.25 180.49 3lxm h LEU 300 N 0.53 0.38 -0.76 0.00 5.85 -1.24 -0.07 115.31 120.00 3lxm h LEU 300 Ca 0.22 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3lxm h LEU 300 Cb 0.12 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3lxm h LEU 300 CO -0.15 0.50 0.48 -0.07 -0.34 0.00 0.00 178.44 178.86 3lxm h LEU 301 N 0.25 0.89 -0.02 2.25 3.38 -1.00 -0.45 115.31 120.61 3lxm h LEU 301 Ca 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3lxm h LEU 301 Cb 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3lxm h LEU 301 CO -0.00 0.67 0.01 0.00 0.09 0.00 0.00 178.44 179.21 3lxm h ALA 302 N 1.26 0.03 -0.61 1.53 0.00 -0.80 -2.17 119.26 118.49 3lxm h ALA 302 Ca 0.27 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3lxm h ALA 302 Cb -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3lxm h ALA 302 CO -0.06 -0.43 0.02 -0.07 0.00 0.00 0.00 179.25 178.72 3lxm h LEU 303 N -0.04 1.04 -0.81 0.00 3.38 -0.75 -0.20 115.31 117.93 3lxm h LEU 303 Ca 0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3lxm h LEU 303 Cb 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3lxm h LEU 303 CO -0.00 1.08 -0.06 -0.37 0.09 0.00 0.00 178.44 179.18 3lxm h VAL 304 N 0.97 0.14 0.00 1.22 -1.51 -1.03 -3.27 116.25 112.78 3lxm h VAL 304 Ca 0.18 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 3lxm h VAL 304 Cb 0.53 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 3lxm h VAL 304 CO 0.03 0.06 -1.74 0.18 -1.23 0.00 0.00 177.57 174.87 3lxm n LEU 305 N -3.15 0.01 -4.29 4.19 4.77 -0.82 0.26 117.00 117.97 3lxm n LEU 305 Ca 0.02 -0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 3lxm n LEU 305 Cb 0.43 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 3lxm n LEU 305 CO 0.31 0.00 -0.42 0.20 -1.33 0.00 0.00 177.39 176.16 3lxm s ASN 306 N -3.89 4.08 0.19 -1.43 0.01 -0.10 -4.95 114.94 108.85 3lxm s ASN 306 Ca -0.06 -0.42 -0.12 0.00 -0.71 0.00 0.00 52.86 51.55 3lxm s ASN 306 Cb 0.11 -1.68 0.13 0.00 0.41 0.00 0.00 41.25 40.22 3lxm s ASN 306 CO 0.69 0.02 1.83 0.00 -1.51 0.00 0.00 177.10 178.13 3lxm h ALA 307 N 7.83 0.76 -2.52 0.60 0.00 -1.87 -3.43 119.26 120.64 3lxm h ALA 307 Ca -0.39 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 53.95 3lxm h ALA 307 Cb 1.17 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3lxm h ALA 307 CO 0.60 0.11 -0.56 -1.83 0.00 0.00 0.00 179.25 177.57 3lxm s GLU 308 N -6.13 2.89 0.00 0.00 1.03 -1.26 -0.71 118.70 114.51 3lxm s GLU 308 Ca -0.13 -0.95 0.00 0.00 0.03 0.00 0.00 54.97 53.92 3lxm s GLU 308 Cb 0.14 -2.60 0.00 0.00 -0.80 0.00 0.00 34.13 30.87 3lxm s GLU 308 CO 0.75 0.45 0.00 -0.11 -1.33 0.00 0.00 175.26 175.02