#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lme n LYS -7 N 0.00 0.63 -4.18 -0.67 4.76 -1.26 -4.89 118.16 112.55 1lme n LYS -7 Ca 0.00 -0.44 -0.16 0.00 -2.87 0.00 0.00 58.31 54.84 1lme n LYS -7 Cb 0.00 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 31.57 1lme n LYS -7 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1lme s ILE -6 N -2.68 0.59 0.02 -0.18 2.07 -1.26 -5.15 121.20 114.61 1lme s ILE -6 Ca 0.18 -0.63 -0.03 0.00 -1.41 0.00 0.00 60.65 58.76 1lme s ILE -6 Cb 0.18 -0.56 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 1lme s ILE -6 CO 0.62 -0.05 0.03 -1.00 -1.91 0.00 0.00 174.94 172.63 1lme s HIS -5 N -0.64 0.21 -0.27 3.50 3.76 -1.26 -5.13 115.29 115.46 1lme s HIS -5 Ca -0.02 -0.46 -0.02 0.00 -0.15 0.00 0.00 55.06 54.42 1lme s HIS -5 Cb -0.06 -0.16 0.03 0.00 1.11 0.00 0.00 32.58 33.51 1lme s HIS -5 CO 0.00 -0.25 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.03 1lme s HIS -4 N -1.72 3.14 -0.07 1.40 2.46 -1.26 -5.08 115.29 114.15 1lme s HIS -4 Ca -0.13 -1.64 -0.26 0.00 0.47 0.00 0.00 55.06 53.50 1lme s HIS -4 Cb -0.07 -2.08 -0.03 0.00 -0.13 0.00 0.00 32.58 30.27 1lme s HIS -4 CO -0.01 -0.75 0.83 -1.01 -2.47 0.00 0.00 174.74 171.33 1lme s HIS -3 N 1.31 3.56 0.04 3.88 3.76 -1.26 -5.04 115.29 121.53 1lme s HIS -3 Ca -0.02 1.40 -0.01 0.00 -0.15 0.00 0.00 55.06 56.28 1lme s HIS -3 Cb -0.18 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 1lme s HIS -3 CO -0.03 -0.04 0.20 -1.01 -0.85 0.00 0.00 174.74 173.01 1lme s HIS -2 N 1.25 3.52 0.17 1.40 3.76 -1.26 -5.10 115.29 119.04 1lme s HIS -2 Ca 0.42 0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.62 1lme s HIS -2 Cb -0.18 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 1lme s HIS -2 CO 0.19 0.61 0.03 -3.38 -0.85 0.00 0.00 174.74 171.34 1lme s HIS -1 N -1.46 1.16 0.00 1.40 -3.43 -1.26 -4.90 115.29 106.80 1lme s HIS -1 Ca 0.33 -1.11 0.00 0.00 -0.80 0.00 0.00 55.06 53.48 1lme s HIS -1 Cb -0.13 -0.66 0.00 0.00 -1.43 0.00 0.00 32.58 30.36 1lme s HIS -1 CO 0.25 -0.32 0.00 1.58 -2.00 0.00 0.00 174.74 174.25 1lme n HIS 0 N -0.23 0.00 -1.63 0.38 -0.00 -1.26 -4.89 115.22 107.59 1lme n HIS 0 Ca -0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.38 1lme n HIS 0 Cb 0.64 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.75 1lme n HIS 0 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1lme s MET 1 N 0.00 1.29 0.46 1.57 0.23 -1.26 -4.92 119.30 116.67 1lme s MET 1 Ca 0.00 0.22 -0.02 0.00 -1.03 0.00 0.00 55.69 54.85 1lme s MET 1 Cb 0.00 -1.86 -0.02 0.00 -1.53 0.00 0.00 34.83 31.42 1lme s MET 1 CO 0.00 -2.08 0.71 0.71 -2.03 0.00 0.00 175.02 172.34 1lme s TYR 2 N -3.37 3.41 -0.03 3.16 1.51 -1.26 -5.05 117.35 115.72 1lme s TYR 2 Ca 0.64 0.52 -0.17 0.00 -1.01 0.00 0.00 57.07 57.04 1lme s TYR 2 Cb -0.13 -2.27 -0.05 0.00 -0.11 0.00 0.00 41.96 39.39 1lme s TYR 2 CO 0.52 -0.28 0.47 0.50 -1.11 0.00 0.00 175.55 175.65 1lme s ARG 3 N -4.63 4.16 -0.06 -0.62 3.52 -1.26 -4.96 118.95 115.10 1lme s ARG 3 Ca 0.47 0.50 -0.23 0.00 -0.13 0.00 0.00 55.73 56.34 1lme s ARG 3 Cb -0.10 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1lme s ARG 3 CO 0.41 0.46 0.69 0.42 -0.81 0.00 0.00 175.30 176.47 1lme s ILE 4 N -0.38 5.04 0.28 4.11 1.01 -1.26 -4.46 121.20 125.54 1lme s ILE 4 Ca 0.26 1.42 -0.29 0.00 0.00 0.00 0.00 60.65 62.04 1lme s ILE 4 Cb -0.17 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 1lme s ILE 4 CO 0.13 0.26 1.06 -0.13 0.00 0.00 0.00 174.94 176.26 1lme s ARG 5 N 0.74 4.64 0.13 2.79 1.81 0.25 -5.01 118.95 124.31 1lme s ARG 5 Ca 0.37 1.70 0.04 0.00 -1.72 0.00 0.00 55.73 56.12 1lme s ARG 5 Cb -0.18 -3.14 -0.04 0.00 -0.45 0.00 0.00 34.95 31.15 1lme s ARG 5 CO 0.18 0.24 0.12 0.14 -0.68 0.00 0.00 175.30 175.30 1lme s VAL 6 N -1.22 4.54 0.08 3.52 -7.23 -1.26 -4.41 120.40 114.42 1lme s VAL 6 Ca 0.45 -0.94 -0.37 0.00 -1.81 0.00 0.00 61.98 59.32 1lme s VAL 6 Cb -0.30 -3.27 -0.17 0.00 0.56 0.00 0.00 36.38 33.21 1lme s VAL 6 CO 0.38 -0.01 1.25 0.33 -0.31 0.00 0.00 175.10 176.73 1lme n PHE 7 N -0.02 1.27 0.00 2.82 7.35 0.08 -0.85 117.46 128.10 1lme n PHE 7 Ca -0.08 0.74 0.00 0.00 -0.76 0.00 0.00 57.45 57.34 1lme n PHE 7 Cb 0.53 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 38.10 1lme n PHE 7 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1lme n GLY 8 N 2.23 2.27 3.67 7.13 0.00 -1.26 -5.06 105.19 114.17 1lme n GLY 8 Ca 0.18 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1lme n GLY 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lme s ASP 9 N -0.31 6.82 0.10 1.61 3.68 -0.03 -4.88 116.67 123.66 1lme s ASP 9 Ca 0.00 1.98 0.13 0.00 2.13 0.00 0.00 52.55 56.79 1lme s ASP 9 Cb 0.00 -2.54 0.59 0.00 -1.45 0.00 0.00 42.92 39.52 1lme s ASP 9 CO 0.00 -0.82 1.40 -0.81 0.13 0.00 0.00 175.17 175.07 1lme n PRO 10 N 6.58 0.06 0.28 4.34 -0.04 -1.26 -2.07 135.00 142.88 1lme n PRO 10 Ca 0.15 0.43 0.14 0.00 -0.04 0.00 0.00 63.50 64.18 1lme n PRO 10 Cb 0.44 -1.65 0.80 0.00 -0.04 0.00 0.00 33.50 33.05 1lme n PRO 10 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1lme h VAL 11 N 0.00 0.51 0.00 0.52 3.04 -1.92 -1.15 116.25 117.25 1lme h VAL 11 Ca 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1lme h VAL 11 Cb 0.15 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1lme h VAL 11 CO 0.00 0.08 0.00 0.18 -1.01 0.00 0.00 177.57 176.82 1lme n LEU 12 N -3.64 0.38 -0.00 3.16 4.77 -0.88 -2.93 117.00 117.85 1lme n LEU 12 Ca -0.02 0.58 0.08 0.00 -0.03 0.00 0.00 56.01 56.61 1lme n LEU 12 Cb 0.19 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 1lme n LEU 12 CO 0.29 -0.33 -0.35 0.54 -1.33 0.00 0.00 177.39 176.20 1lme n ARG 13 N -1.90 1.15 -2.51 3.23 5.12 -0.46 -4.37 116.66 116.93 1lme n ARG 13 Ca 0.04 -0.07 -0.43 0.00 -1.93 0.00 0.00 57.85 55.46 1lme n ARG 13 Cb 0.25 -1.32 -0.02 0.00 -1.16 0.00 0.00 32.46 30.21 1lme n ARG 13 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1lme s LYS 14 N -2.81 4.30 -0.06 5.56 2.20 -1.09 -4.41 119.74 123.45 1lme s LYS 14 Ca 0.00 1.58 -0.29 0.00 -0.36 0.00 0.00 55.97 56.90 1lme s LYS 14 Cb 0.11 -3.64 -0.07 0.00 -1.51 0.00 0.00 37.83 32.72 1lme s LYS 14 CO 0.67 -0.55 2.02 0.50 -0.36 0.00 0.00 175.35 177.63 1lme s ARG 15 N 2.81 3.80 0.58 4.03 3.52 -1.26 -4.39 118.95 128.03 1lme s ARG 15 Ca 0.52 2.37 -0.20 0.00 -0.13 0.00 0.00 55.73 58.29 1lme s ARG 15 Cb -0.21 -4.22 -0.04 0.00 -1.56 0.00 0.00 34.95 28.92 1lme s ARG 15 CO 0.16 -1.34 1.30 0.00 -0.81 0.00 0.00 175.30 174.61 1lme s ALA 16 N 5.72 2.66 0.16 6.12 0.00 0.33 -4.96 121.76 131.79 1lme s ALA 16 Ca 0.91 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 54.06 1lme s ALA 16 Cb -0.38 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.15 1lme s ALA 16 CO 0.39 -1.35 0.37 0.15 0.00 0.00 0.00 175.76 175.31 1lme s LYS 17 N -3.09 3.56 0.64 0.00 3.01 -0.10 -4.60 119.74 119.16 1lme s LYS 17 Ca 0.75 -0.22 -0.17 0.00 -1.01 0.00 0.00 55.97 55.32 1lme s LYS 17 Cb -0.37 -2.86 -0.01 0.00 -1.01 0.00 0.00 37.83 33.58 1lme s LYS 17 CO 0.42 0.45 1.18 -1.25 0.51 0.00 0.00 175.35 176.66 1lme s PRO 18 N -2.90 2.76 0.25 -1.68 0.04 -1.26 -0.12 135.00 132.09 1lme s PRO 18 Ca 0.39 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 1lme s PRO 18 Cb -0.12 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1lme s PRO 18 CO 0.27 -1.34 1.00 0.08 0.04 0.00 0.00 177.00 177.05 1lme s VAL 19 N -1.89 3.88 0.00 -0.36 1.01 -1.26 -4.77 120.40 117.02 1lme s VAL 19 Ca 0.74 1.87 0.00 0.00 0.00 0.00 0.00 61.98 64.59 1lme s VAL 19 Cb -0.27 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1lme s VAL 19 CO 0.37 0.44 0.00 0.35 0.00 0.00 0.00 175.10 176.26 1lme n THR 20 N 1.47 0.00 -3.56 3.92 -2.24 -1.26 -4.97 114.28 107.65 1lme n THR 20 Ca -0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 1lme n THR 20 Cb 0.46 -0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 1lme n THR 20 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1lme s LYS 21 N -1.73 3.50 -1.00 -0.78 1.02 -1.26 -5.01 119.74 114.48 1lme s LYS 21 Ca 0.00 -0.63 -0.06 0.00 0.02 0.00 0.00 55.97 55.30 1lme s LYS 21 Cb 0.00 -3.75 0.25 0.00 -0.52 0.00 0.00 37.83 33.80 1lme s LYS 21 CO 0.00 -0.42 0.94 -0.06 -0.92 0.00 0.00 175.35 174.89 1lme s PHE 22 N 1.71 4.07 0.10 3.18 0.40 -1.26 -4.72 117.98 121.46 1lme s PHE 22 Ca 0.06 -2.82 0.00 0.00 -0.60 0.00 0.00 56.93 53.57 1lme s PHE 22 Cb -0.17 -3.56 -0.00 0.00 0.51 0.00 0.00 43.02 39.80 1lme s PHE 22 CO 0.10 -0.85 0.02 -0.40 0.70 0.00 0.00 175.22 174.78 1lme n ASP 23 N 2.59 1.67 -0.24 1.36 5.68 -1.26 -4.92 116.55 121.43 1lme n ASP 23 Ca 0.22 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 1lme n ASP 23 Cb 0.38 0.16 0.23 0.00 -1.14 0.00 0.00 41.12 40.75 1lme n ASP 23 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1lme h GLU 24 N 0.00 1.03 -0.54 0.11 4.57 -1.95 -2.44 114.58 115.37 1lme h GLU 24 Ca -0.08 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1lme h GLU 24 Cb 0.28 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1lme h GLU 24 CO 0.14 0.69 0.36 -0.97 -1.18 0.00 0.00 179.01 178.04 1lme h ASN 25 N 1.06 0.62 -0.80 1.04 -1.24 -1.96 -0.44 115.58 113.87 1lme h ASN 25 Ca 0.29 -0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.29 1lme h ASN 25 Cb -0.12 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.74 1lme h ASN 25 CO -0.06 0.45 0.53 0.25 -1.29 0.00 0.00 177.43 177.31 1lme h LEU 26 N 0.73 0.91 -0.37 0.34 5.85 -1.73 0.41 115.31 121.45 1lme h LEU 26 Ca 0.20 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1lme h LEU 26 Cb -0.08 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1lme h LEU 26 CO -0.04 0.65 0.19 0.11 -0.34 0.00 0.00 178.44 179.01 1lme h LYS 27 N 1.07 0.52 -0.80 1.25 1.57 -1.12 -0.50 116.57 118.56 1lme h LYS 27 Ca 0.30 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1lme h LYS 27 Cb -0.10 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1lme h LYS 27 CO -0.07 0.44 0.34 -0.22 -0.57 0.00 0.00 179.45 179.37 1lme h LYS 28 N 0.47 1.18 -0.74 3.15 1.63 -0.80 -0.80 116.57 120.66 1lme h LYS 28 Ca 0.13 -0.20 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 1lme h LYS 28 Cb 0.08 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 1lme h LYS 28 CO -0.02 0.94 0.27 1.15 -3.45 0.00 0.00 179.45 178.34 1lme h THR 29 N 1.16 1.26 -0.78 1.00 2.02 -0.50 -0.91 112.91 116.16 1lme h THR 29 Ca 0.27 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1lme h THR 29 Cb 0.18 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1lme h THR 29 CO -0.03 0.33 0.29 0.40 0.37 0.00 0.00 175.52 176.89 1lme h ILE 30 N 1.07 1.26 -0.66 3.11 1.08 -0.44 0.11 117.51 123.03 1lme h ILE 30 Ca 0.24 -0.85 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 1lme h ILE 30 Cb 0.24 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 1lme h ILE 30 CO -0.02 0.34 0.37 -0.33 -0.69 0.00 0.00 178.15 177.83 1lme h GLU 31 N 1.14 0.92 -0.31 2.37 5.08 -0.56 -1.13 114.58 122.09 1lme h GLU 31 Ca 0.26 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1lme h GLU 31 Cb 0.24 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1lme h GLU 31 CO -0.02 0.68 -0.19 0.00 -1.00 0.00 0.00 179.01 178.48 1lme h ARG 32 N 0.90 0.57 -0.56 2.33 3.08 -0.70 -0.47 114.38 119.53 1lme h ARG 32 Ca 0.23 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1lme h ARG 32 Cb 0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1lme h ARG 32 CO -0.04 0.73 0.33 0.52 -1.07 0.00 0.00 179.97 180.44 1lme h MET 33 N 0.51 0.77 -0.39 0.04 2.86 0.01 0.20 114.93 118.94 1lme h MET 33 Ca 0.08 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1lme h MET 33 Cb 0.62 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1lme h MET 33 CO 0.04 0.57 -0.15 0.82 1.06 0.00 0.00 176.91 179.26 1lme h ILE 34 N 0.76 1.28 -0.23 -1.22 2.04 -0.91 0.81 117.51 120.04 1lme h ILE 34 Ca 0.20 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.83 1lme h ILE 34 Cb 0.01 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1lme h ILE 34 CO -0.04 0.42 0.03 -0.08 0.00 0.00 0.00 178.15 178.49 1lme h GLU 35 N 0.60 0.11 0.00 2.37 4.81 -0.83 -1.35 114.58 120.29 1lme h GLU 35 Ca 0.09 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1lme h GLU 35 Cb 0.69 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1lme h GLU 35 CO 0.05 0.07 -0.00 1.15 -0.73 0.00 0.00 179.01 179.55 1lme h THR 36 N 0.12 1.11 -0.14 0.32 2.02 -0.82 -0.48 112.91 115.04 1lme h THR 36 Ca 0.11 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1lme h THR 36 Cb 0.11 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1lme h THR 36 CO -0.15 0.08 -0.17 -0.03 0.37 0.00 0.00 175.52 175.63 1lme h MET 37 N -0.14 -0.20 -0.72 6.66 1.85 -0.61 -1.66 114.93 120.11 1lme h MET 37 Ca -0.00 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.07 1lme h MET 37 Cb 0.14 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.18 1lme h MET 37 CO 0.00 -0.13 0.30 1.88 -0.40 0.00 0.00 176.91 178.56 1lme h TYR 38 N -0.21 1.08 -0.48 1.39 0.05 -1.21 0.92 116.97 118.51 1lme h TYR 38 Ca 0.10 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.84 1lme h TYR 38 Cb 0.35 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 1lme h TYR 38 CO -0.28 0.82 0.32 1.25 -1.05 0.00 0.00 178.16 179.22 1lme h HIS 39 N 1.02 0.49 -0.58 4.88 2.76 -0.44 -0.93 115.15 122.36 1lme h HIS 39 Ca 0.24 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1lme h HIS 39 Cb 0.18 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1lme h HIS 39 CO 0.01 0.29 0.00 0.66 -1.30 0.00 0.00 177.93 177.59 1lme n TYR 40 N -4.48 0.77 -2.08 5.26 4.02 -0.69 -4.92 117.16 115.05 1lme n TYR 40 Ca 0.06 -0.38 -0.18 0.00 -0.01 0.00 0.00 57.90 57.38 1lme n TYR 40 Cb 0.17 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 1lme n TYR 40 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1lme n ASP 41 N 1.21 -5.17 -4.92 7.72 8.00 -0.35 -4.99 116.55 118.05 1lme n ASP 41 Ca 0.20 0.13 -0.26 0.00 0.71 0.00 0.00 54.79 55.56 1lme n ASP 41 Cb 0.49 -4.24 0.04 0.00 -0.02 0.00 0.00 41.12 37.39 1lme n ASP 41 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1lme s GLY 42 N -2.39 1.62 0.00 0.44 0.00 0.27 -4.99 107.32 102.27 1lme s GLY 42 Ca 0.00 -0.74 0.12 0.00 0.00 0.00 0.00 44.72 44.10 1lme s GLY 42 CO 0.00 -0.43 0.75 3.33 0.00 0.00 0.00 173.10 176.75 1lme n VAL 43 N -2.64 0.00 -3.54 1.40 0.24 -1.26 -4.57 118.33 107.95 1lme n VAL 43 Ca 0.05 -0.42 -0.17 0.00 -2.04 0.00 0.00 64.34 61.76 1lme n VAL 43 Cb 0.58 1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 34.06 1lme n VAL 43 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1lme s GLY 44 N -1.32 -0.54 -0.26 7.63 0.00 -1.26 -1.06 107.32 110.52 1lme s GLY 44 Ca 0.11 1.51 -0.10 0.00 0.00 0.00 0.00 44.72 46.25 1lme s GLY 44 CO 0.24 1.10 0.57 -2.27 0.00 0.00 0.00 173.10 172.73 1lme s LEU 45 N -0.93 -0.88 0.16 0.66 2.96 -0.81 -4.89 118.68 114.94 1lme s LEU 45 Ca -0.08 1.34 0.05 0.00 -0.22 0.00 0.00 54.13 55.22 1lme s LEU 45 Cb -0.01 1.96 -0.04 0.00 0.50 0.00 0.00 46.19 48.61 1lme s LEU 45 CO 0.08 -0.22 0.15 0.00 -1.32 0.00 0.00 176.35 175.03 1lme s ALA 46 N 2.50 3.61 0.25 5.97 0.00 -1.26 -1.23 121.76 131.59 1lme s ALA 46 Ca -0.06 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 1lme s ALA 46 Cb -0.11 -1.41 0.48 0.00 0.00 0.00 0.00 23.12 22.09 1lme s ALA 46 CO -0.17 0.52 1.68 0.00 0.00 0.00 0.00 175.76 177.79 1lme h ALA 47 N 2.42 0.99 -0.37 0.00 0.00 -1.28 0.20 119.26 121.22 1lme h ALA 47 Ca -0.48 0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1lme h ALA 47 Cb 1.20 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1lme h ALA 47 CO 0.64 -0.34 0.25 -1.35 0.00 0.00 0.00 179.25 178.45 1lme h PRO 48 N 0.27 0.24 0.00 0.00 0.11 -1.49 0.11 132.00 131.24 1lme h PRO 48 Ca 0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1lme h PRO 48 Cb 0.74 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1lme h PRO 48 CO -0.52 0.16 0.00 1.96 -0.21 0.00 0.00 178.00 179.39 1lme h GLN 49 N 0.24 0.00 -0.15 1.05 4.20 -1.24 0.50 115.11 119.72 1lme h GLN 49 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1lme h GLN 49 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1lme h GLN 49 CO -0.03 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 179.46 1lme n VAL 50 N -2.37 1.90 -0.88 -0.54 0.24 0.26 0.88 118.33 117.81 1lme n VAL 50 Ca -0.01 -1.87 0.00 0.00 -2.04 0.00 0.00 64.34 60.42 1lme n VAL 50 Cb 0.08 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 1lme n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lme n GLY 51 N -0.77 0.50 3.16 7.63 0.00 0.17 -4.85 105.19 111.02 1lme n GLY 51 Ca 0.17 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1lme n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lme s ILE 52 N -2.00 3.00 -1.36 -0.61 1.01 -0.45 -4.95 121.20 115.84 1lme s ILE 52 Ca 0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 60.65 58.98 1lme s ILE 52 Cb 0.00 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.77 1lme s ILE 52 CO 0.00 -0.24 2.03 -1.54 0.00 0.00 0.00 174.94 175.19 1lme n SER 53 N 4.60 4.55 -4.26 3.58 3.41 -1.26 -1.47 113.62 122.77 1lme n SER 53 Ca -0.10 -2.99 -0.19 0.00 -0.26 0.00 0.00 58.87 55.32 1lme n SER 53 Cb 0.43 -1.56 -0.11 0.00 -0.26 0.00 0.00 64.21 62.70 1lme n SER 53 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1lme s GLN 54 N 1.67 1.06 -1.32 4.33 -0.21 -1.26 -0.93 119.66 123.01 1lme s GLN 54 Ca 0.43 -1.24 -0.15 0.00 0.02 0.00 0.00 55.36 54.42 1lme s GLN 54 Cb 0.11 -1.02 0.09 0.00 1.00 0.00 0.00 33.01 33.19 1lme s GLN 54 CO -0.04 0.21 1.82 0.54 -2.12 0.00 0.00 175.29 175.70 1lme n ARG 55 N 0.60 3.18 -3.54 2.91 1.74 0.83 -4.53 116.66 117.85 1lme n ARG 55 Ca -0.16 -3.23 -0.13 0.00 -0.77 0.00 0.00 57.85 53.56 1lme n ARG 55 Cb 0.56 -3.31 -0.04 0.00 -1.02 0.00 0.00 32.46 28.65 1lme n ARG 55 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1lme s PHE 56 N 3.10 -0.44 0.22 -1.55 -0.71 -1.26 0.89 117.98 118.23 1lme s PHE 56 Ca 0.49 0.40 -0.21 0.00 -1.04 0.00 0.00 56.93 56.57 1lme s PHE 56 Cb 0.06 0.39 0.04 0.00 -1.21 0.00 0.00 43.02 42.30 1lme s PHE 56 CO 0.02 -0.70 0.62 -0.59 -1.34 0.00 0.00 175.22 173.23 1lme s PHE 57 N -2.87 -0.27 0.28 3.49 -0.12 -0.51 -0.97 117.98 117.00 1lme s PHE 57 Ca -0.03 -0.07 0.08 0.00 -0.05 0.00 0.00 56.93 56.87 1lme s PHE 57 Cb -0.00 0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 42.89 1lme s PHE 57 CO -0.05 -1.02 -0.11 0.14 -0.05 0.00 0.00 175.22 174.13 1lme s VAL 58 N -3.85 1.95 0.06 -2.49 -7.23 -0.36 -0.36 120.40 108.11 1lme s VAL 58 Ca 0.07 -2.21 -0.27 0.00 -1.81 0.00 0.00 61.98 57.76 1lme s VAL 58 Cb -0.03 -2.38 0.08 0.00 0.56 0.00 0.00 36.38 34.61 1lme s VAL 58 CO -0.02 -0.36 0.70 0.00 -0.31 0.00 0.00 175.10 175.11 1lme s MET 59 N -3.64 1.10 -0.21 4.82 0.23 -0.51 -1.92 119.30 119.16 1lme s MET 59 Ca 0.29 -0.21 -0.04 0.00 -1.03 0.00 0.00 55.69 54.70 1lme s MET 59 Cb 0.01 0.51 0.09 0.00 -1.53 0.00 0.00 34.83 33.91 1lme s MET 59 CO 0.12 -0.44 0.19 0.34 -2.03 0.00 0.00 175.02 173.20 1lme s ASP 60 N -2.19 1.86 -0.46 -1.18 -1.08 -0.23 0.37 116.67 113.76 1lme s ASP 60 Ca -0.02 -0.47 0.04 0.00 -0.52 0.00 0.00 52.55 51.58 1lme s ASP 60 Cb -0.01 0.17 0.61 0.00 -1.46 0.00 0.00 42.92 42.23 1lme s ASP 60 CO -0.05 -0.35 1.87 1.33 0.52 0.00 0.00 175.17 178.49 1lme n VAL 61 N 5.30 3.19 0.00 1.11 0.24 -1.26 -4.69 118.33 122.22 1lme n VAL 61 Ca -0.06 -2.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.03 1lme n VAL 61 Cb 0.48 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1lme n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lme n GLY 62 N -1.11 1.44 0.72 7.63 0.00 -1.26 -4.93 105.19 107.69 1lme n GLY 62 Ca 0.57 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.66 1lme n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lme n ASN 63 N 0.00 2.72 0.00 1.61 3.02 -1.26 -5.08 115.26 116.27 1lme n ASN 63 Ca 0.00 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 1lme n ASN 63 Cb 0.00 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1lme n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lme n GLY 64 N 0.86 2.72 3.72 7.41 0.00 -1.26 -5.04 105.19 113.60 1lme n GLY 64 Ca 0.12 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1lme n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lme s PRO 65 N -2.87 4.23 -0.12 1.61 0.04 -1.26 -4.47 135.00 132.16 1lme s PRO 65 Ca 0.00 2.32 0.02 0.00 0.04 0.00 0.00 61.00 63.38 1lme s PRO 65 Cb 0.00 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 1lme s PRO 65 CO 0.00 -0.58 -0.19 0.08 0.04 0.00 0.00 177.00 176.35 1lme s VAL 66 N 1.12 2.49 -0.21 -0.36 1.01 0.16 -4.96 120.40 119.66 1lme s VAL 66 Ca 0.69 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1lme s VAL 66 Cb -0.43 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1lme s VAL 66 CO 0.31 0.54 0.22 0.00 0.00 0.00 0.00 175.10 176.17 1lme s ALA 67 N 0.41 3.62 -0.24 5.51 0.00 -1.26 -1.42 121.76 128.37 1lme s ALA 67 Ca -0.14 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1lme s ALA 67 Cb -0.17 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.66 1lme s ALA 67 CO 0.06 -0.06 -0.08 0.08 0.00 0.00 0.00 175.76 175.76 1lme s VAL 68 N 0.79 1.81 -0.10 0.00 1.01 0.52 -4.78 120.40 119.66 1lme s VAL 68 Ca 0.11 -1.36 -0.00 0.00 0.00 0.00 0.00 61.98 60.73 1lme s VAL 68 Cb -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1lme s VAL 68 CO 0.03 -0.03 -0.08 -0.63 0.00 0.00 0.00 175.10 174.40 1lme s ILE 69 N 1.27 3.60 -1.37 2.22 1.01 -0.89 -1.42 121.20 125.62 1lme s ILE 69 Ca -0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 1lme s ILE 69 Cb -0.19 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1lme s ILE 69 CO -0.06 0.56 0.45 0.59 0.00 0.00 0.00 174.94 176.48 1lme n ASN 70 N 2.76 -1.19 -4.70 3.58 3.02 0.26 -0.69 115.26 118.30 1lme n ASN 70 Ca -0.18 -1.06 -0.30 0.00 -0.03 0.00 0.00 54.58 53.01 1lme n ASN 70 Cb 0.53 -2.86 0.14 0.00 -0.61 0.00 0.00 39.78 36.97 1lme n ASN 70 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1lme s PRO 71 N -6.61 1.33 -0.09 3.52 0.04 -1.26 -4.50 135.00 127.44 1lme s PRO 71 Ca 0.11 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.23 1lme s PRO 71 Cb -0.04 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1lme s PRO 71 CO 0.90 -2.28 0.22 -1.21 0.04 0.00 0.00 177.00 174.67 1lme s GLU 72 N -4.80 0.23 -0.44 4.56 2.02 0.27 -4.97 118.70 115.57 1lme s GLU 72 Ca 0.64 0.36 -0.14 0.00 0.02 0.00 0.00 54.97 55.85 1lme s GLU 72 Cb -0.20 0.05 0.06 0.00 0.10 0.00 0.00 34.13 34.14 1lme s GLU 72 CO 0.58 -0.07 0.34 0.42 0.02 0.00 0.00 175.26 176.55 1lme s ILE 73 N 0.45 5.09 0.13 -1.63 1.01 -1.26 -1.46 121.20 123.54 1lme s ILE 73 Ca -0.03 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.65 1lme s ILE 73 Cb -0.04 -3.98 -0.19 0.00 0.01 0.00 0.00 42.46 38.26 1lme s ILE 73 CO -0.02 -0.47 1.31 -0.07 0.00 0.00 0.00 174.94 175.68 1lme h LEU 74 N 8.66 0.34 -7.57 2.97 3.38 -0.79 -3.47 115.31 118.83 1lme h LEU 74 Ca -0.27 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.28 1lme h LEU 74 Cb 1.11 -0.11 -0.20 0.00 0.09 0.00 0.00 40.66 41.56 1lme h LEU 74 CO 0.81 1.13 -0.32 -1.61 0.09 0.00 0.00 178.44 178.54 1lme s GLU 75 N -3.08 0.66 -0.06 1.13 2.02 -1.05 -4.94 118.70 113.37 1lme s GLU 75 Ca -0.04 -0.30 -0.00 0.00 0.02 0.00 0.00 54.97 54.65 1lme s GLU 75 Cb 0.09 0.29 0.02 0.00 0.10 0.00 0.00 34.13 34.63 1lme s GLU 75 CO 0.85 -0.18 -0.03 0.42 0.02 0.00 0.00 175.26 176.34 1lme s ILE 76 N -1.58 0.49 0.43 -1.63 1.01 -1.26 -1.20 121.20 117.46 1lme s ILE 76 Ca -0.12 -0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.25 1lme s ILE 76 Cb -0.05 -0.57 -0.08 0.00 0.01 0.00 0.00 42.46 41.77 1lme s ILE 76 CO 0.02 0.24 1.26 -0.62 0.00 0.00 0.00 174.94 175.85 1lme s ASP 77 N 1.38 6.19 0.49 3.58 -1.08 0.28 -4.89 116.67 122.62 1lme s ASP 77 Ca -0.04 2.55 0.29 0.00 -0.52 0.00 0.00 52.55 54.84 1lme s ASP 77 Cb -0.13 -2.63 0.94 0.00 -1.46 0.00 0.00 42.92 39.64 1lme s ASP 77 CO -0.03 -0.93 1.83 1.55 0.52 0.00 0.00 175.17 178.11 1lme h PRO 78 N 2.40 0.00 -6.63 4.34 0.13 -2.00 -3.42 132.00 126.82 1lme h PRO 78 Ca -0.50 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.11 1lme h PRO 78 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1lme h PRO 78 CO 0.61 0.00 0.51 -2.00 -0.23 0.00 0.00 178.00 176.89 1lme s GLU 79 N -3.47 4.54 0.40 0.86 2.12 -1.26 -4.97 118.70 116.92 1lme s GLU 79 Ca 0.04 1.76 0.03 0.00 0.36 0.00 0.00 54.97 57.16 1lme s GLU 79 Cb 0.07 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1lme s GLU 79 CO 0.59 -0.02 0.10 0.95 -0.54 0.00 0.00 175.26 176.34 1lme s THR 80 N 0.02 0.80 -0.15 -1.70 -4.23 -1.26 -1.16 115.64 107.97 1lme s THR 80 Ca 0.52 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.81 1lme s THR 80 Cb -0.30 -2.44 0.05 0.00 1.34 0.00 0.00 72.50 71.15 1lme s THR 80 CO 0.34 0.00 0.56 -0.70 -0.54 0.00 0.00 174.62 174.28 1lme s GLU 81 N -3.77 0.76 -0.12 3.99 2.12 -0.48 -4.81 118.70 116.39 1lme s GLU 81 Ca 0.25 0.54 -0.04 0.00 0.36 0.00 0.00 54.97 56.08 1lme s GLU 81 Cb 0.04 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 1lme s GLU 81 CO 0.14 -0.15 0.03 0.08 -0.54 0.00 0.00 175.26 174.82 1lme s VAL 82 N -0.25 4.55 0.19 3.70 1.01 -1.26 -1.10 120.40 127.23 1lme s VAL 82 Ca -0.04 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1lme s VAL 82 Cb -0.03 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1lme s VAL 82 CO 0.03 0.57 0.45 0.00 0.00 0.00 0.00 175.10 176.15 1lme s ALA 83 N -0.54 -0.64 0.02 5.51 0.00 -0.85 -4.93 121.76 120.32 1lme s ALA 83 Ca 0.10 -0.43 -0.26 0.00 0.00 0.00 0.00 51.96 51.37 1lme s ALA 83 Cb -0.12 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 1lme s ALA 83 CO 0.02 -0.76 0.80 -2.00 0.00 0.00 0.00 175.76 173.82 1lme s GLU 84 N -3.90 4.51 -0.01 0.00 2.12 -1.26 -0.48 118.70 119.67 1lme s GLU 84 Ca 0.12 1.10 0.03 0.00 0.36 0.00 0.00 54.97 56.58 1lme s GLU 84 Cb 0.00 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 1lme s GLU 84 CO -0.02 0.18 -0.11 -1.21 -0.54 0.00 0.00 175.26 173.56 1lme s GLU 85 N 0.29 0.98 0.00 4.30 2.02 0.60 -4.96 118.70 121.94 1lme s GLU 85 Ca 0.41 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.99 1lme s GLU 85 Cb -0.20 -0.94 0.00 0.00 0.10 0.00 0.00 34.13 33.09 1lme s GLU 85 CO 0.23 0.23 0.00 0.41 0.02 0.00 0.00 175.26 176.15 1lme n GLY 86 N 2.90 3.86 0.09 -1.39 0.00 -1.26 -1.98 105.19 107.40 1lme n GLY 86 Ca -0.15 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.17 1lme n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lme n LEU 88 N 0.00 0.67 -0.03 0.99 4.77 -1.26 -5.00 117.00 117.13 1lme n LEU 88 Ca 0.00 0.29 0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1lme n LEU 88 Cb 0.00 0.08 0.59 0.00 -2.33 0.00 0.00 43.42 41.76 1lme n LEU 88 CO 0.00 0.09 0.87 -1.20 -1.33 0.00 0.00 177.39 175.82 1lme n SER 89 N -2.75 0.22 -3.39 -1.43 7.64 -1.26 -4.10 113.62 108.53 1lme n SER 89 Ca -0.09 -0.07 -0.26 0.00 1.01 0.00 0.00 58.87 59.45 1lme n SER 89 Cb 0.78 -0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 1lme n SER 89 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1lme n PHE 90 N -1.29 2.82 -1.64 1.43 3.01 -1.26 -0.74 117.46 119.79 1lme n PHE 90 Ca 0.11 -4.04 -0.48 0.00 1.01 0.00 0.00 57.45 54.04 1lme n PHE 90 Cb 0.30 -0.51 -0.05 0.00 -0.01 0.00 0.00 39.48 39.21 1lme n PHE 90 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1lme n PRO 91 N 1.01 1.77 -1.97 -1.08 -0.04 -1.26 -1.98 135.00 131.46 1lme n PRO 91 Ca 0.28 0.64 -0.17 0.00 -0.04 0.00 0.00 63.50 64.21 1lme n PRO 91 Cb 0.43 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 1lme n PRO 91 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1lme n GLU 92 N 3.15 -1.27 -4.83 0.54 2.13 -1.26 -5.01 120.64 114.09 1lme n GLU 92 Ca 0.18 0.93 -0.31 0.00 0.66 0.00 0.00 57.16 58.62 1lme n GLU 92 Cb 0.25 -5.28 -0.17 0.00 0.27 0.00 0.00 31.44 26.52 1lme n GLU 92 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1lme s ILE 93 N -2.75 1.91 -0.01 6.31 1.01 -0.84 -5.11 121.20 121.72 1lme s ILE 93 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1lme s ILE 93 Cb 0.00 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 1lme s ILE 93 CO 0.00 0.52 -0.09 -0.36 0.00 0.00 0.00 174.94 175.01 1lme s PHE 94 N 0.66 0.86 0.10 3.97 0.40 -1.26 -4.55 117.98 118.16 1lme s PHE 94 Ca -0.12 -0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.03 1lme s PHE 94 Cb -0.16 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.75 1lme s PHE 94 CO 0.02 -0.04 0.01 0.14 0.70 0.00 0.00 175.22 176.06 1lme s VAL 95 N -0.08 0.19 -0.12 -0.44 -7.23 -0.84 -4.95 120.40 106.93 1lme s VAL 95 Ca 0.01 -1.87 -0.16 0.00 -1.81 0.00 0.00 61.98 58.15 1lme s VAL 95 Cb -0.05 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 1lme s VAL 95 CO -0.00 -0.70 0.40 -1.61 -0.31 0.00 0.00 175.10 172.88 1lme s GLU 96 N -3.98 4.25 -0.01 4.82 2.02 -1.26 -0.29 118.70 124.24 1lme s GLU 96 Ca 0.17 0.32 0.02 0.00 0.02 0.00 0.00 54.97 55.50 1lme s GLU 96 Cb 0.08 -3.40 -0.00 0.00 0.10 0.00 0.00 34.13 30.90 1lme s GLU 96 CO -0.03 0.26 -0.07 0.42 0.02 0.00 0.00 175.26 175.86 1lme s ILE 97 N 0.32 0.57 -0.08 -1.63 1.01 0.37 -0.25 121.20 121.52 1lme s ILE 97 Ca 0.22 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.36 1lme s ILE 97 Cb -0.15 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1lme s ILE 97 CO 0.08 0.17 0.62 -0.70 0.00 0.00 0.00 174.94 175.11 1lme s GLU 98 N -0.07 4.40 0.06 2.79 2.12 -1.26 -2.02 118.70 124.72 1lme s GLU 98 Ca 0.01 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.10 1lme s GLU 98 Cb -0.04 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1lme s GLU 98 CO -0.00 0.13 -0.09 1.03 -0.54 0.00 0.00 175.26 175.79 1lme s ARG 99 N 0.64 0.63 0.54 4.30 1.81 -0.26 -4.93 118.95 121.68 1lme s ARG 99 Ca 0.33 -0.88 -0.21 0.00 -1.72 0.00 0.00 55.73 53.25 1lme s ARG 99 Cb -0.17 -0.37 -0.05 0.00 -0.45 0.00 0.00 34.95 33.91 1lme s ARG 99 CO 0.16 0.06 1.29 0.45 -0.68 0.00 0.00 175.30 176.58 1lme s SER 100 N -1.83 5.39 0.26 0.23 0.15 -1.26 -1.38 113.70 115.26 1lme s SER 100 Ca -0.05 2.60 0.14 0.00 0.70 0.00 0.00 55.95 59.34 1lme s SER 100 Cb -0.08 -2.62 0.18 0.00 -1.71 0.00 0.00 66.02 61.79 1lme s SER 100 CO 0.00 -1.47 1.49 0.11 1.20 0.00 0.00 173.24 174.57 1lme h LYS 101 N 1.43 0.00 -3.27 5.44 1.57 -1.39 -3.43 116.57 116.92 1lme h LYS 101 Ca -0.51 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.11 1lme h LYS 101 Cb 1.29 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.36 1lme h LYS 101 CO 0.57 0.61 -0.46 1.03 -0.57 0.00 0.00 179.45 180.63 1lme s ARG 102 N -3.12 0.32 0.05 3.15 0.52 -1.26 -1.03 118.95 117.57 1lme s ARG 102 Ca 0.02 0.13 -0.06 0.00 -0.52 0.00 0.00 55.73 55.30 1lme s ARG 102 Cb 0.10 0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.70 1lme s ARG 102 CO 0.75 -0.06 0.10 0.96 0.02 0.00 0.00 175.30 177.08 1lme s ILE 103 N -0.26 0.15 -0.18 1.52 -4.36 -0.06 -0.55 121.20 117.46 1lme s ILE 103 Ca -0.04 -1.20 -0.03 0.00 -0.26 0.00 0.00 60.65 59.13 1lme s ILE 103 Cb -0.03 -1.07 -0.02 0.00 1.25 0.00 0.00 42.46 42.60 1lme s ILE 103 CO 0.01 -0.66 -0.06 -0.75 0.24 0.00 0.00 174.94 173.72 1lme s LYS 104 N -3.03 3.50 0.33 0.37 2.47 -0.34 -0.57 119.74 122.46 1lme s LYS 104 Ca -0.01 -0.60 0.08 0.00 -1.56 0.00 0.00 55.97 53.88 1lme s LYS 104 Cb 0.01 -2.89 -0.06 0.00 -1.46 0.00 0.00 37.83 33.43 1lme s LYS 104 CO -0.07 0.07 -0.08 0.14 0.16 0.00 0.00 175.35 175.57 1lme s VAL 105 N 0.79 2.02 -0.08 4.02 -7.23 0.80 -0.04 120.40 120.70 1lme s VAL 105 Ca -0.02 -2.17 -0.05 0.00 -1.81 0.00 0.00 61.98 57.93 1lme s VAL 105 Cb -0.15 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.23 1lme s VAL 105 CO 0.02 -0.22 0.19 -0.75 -0.31 0.00 0.00 175.10 174.02 1lme s LYS 106 N -3.65 0.17 0.34 4.82 2.20 -0.53 -1.27 119.74 121.81 1lme s LYS 106 Ca 0.32 0.36 -0.17 0.00 -0.36 0.00 0.00 55.97 56.12 1lme s LYS 106 Cb 0.03 -0.04 0.04 0.00 -1.51 0.00 0.00 37.83 36.34 1lme s LYS 106 CO 0.15 -0.11 0.73 1.52 -0.36 0.00 0.00 175.35 177.29 1lme s TYR 107 N 0.74 0.08 0.27 4.03 -0.85 0.33 -0.57 117.35 121.38 1lme s TYR 107 Ca -0.05 -0.64 0.10 0.00 -0.52 0.00 0.00 57.07 55.96 1lme s TYR 107 Cb -0.07 0.71 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 1lme s TYR 107 CO -0.04 -1.40 -0.03 -0.65 -1.52 0.00 0.00 175.55 171.91 1lme s GLN 108 N -3.00 2.20 0.42 -3.49 -0.21 0.13 0.42 119.66 116.13 1lme s GLN 108 Ca 0.15 -1.49 0.06 0.00 0.02 0.00 0.00 55.36 54.11 1lme s GLN 108 Cb -0.05 -2.09 0.07 0.00 1.00 0.00 0.00 33.01 31.94 1lme s GLN 108 CO 0.10 0.34 0.59 0.27 -2.12 0.00 0.00 175.29 174.47 1lme n ASN 109 N -0.86 1.47 0.00 5.90 0.23 0.34 -2.11 115.26 120.23 1lme n ASN 109 Ca -0.06 -2.08 0.04 0.00 -0.53 0.00 0.00 54.58 51.95 1lme n ASN 109 Cb 0.59 -0.32 0.17 0.00 -2.08 0.00 0.00 39.78 38.15 1lme n ASN 109 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1lme n THR 110 N -1.95 1.37 0.72 5.53 -2.24 -1.26 -1.29 114.28 115.16 1lme n THR 110 Ca 0.12 0.34 0.12 0.00 -2.27 0.00 0.00 64.05 62.36 1lme n THR 110 Cb 0.43 -1.21 0.15 0.00 -2.10 0.00 0.00 70.33 67.60 1lme n THR 110 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lme n ARG 111 N -1.47 2.41 -0.50 -0.78 1.74 -1.26 -4.56 116.66 112.24 1lme n ARG 111 Ca 0.02 -2.08 0.00 0.00 -0.77 0.00 0.00 57.85 55.02 1lme n ARG 111 Cb 0.09 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1lme n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lme n GLY 112 N 1.42 0.88 3.77 -0.13 0.00 -0.41 -4.99 105.19 105.72 1lme n GLY 112 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1lme n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lme s GLU 113 N -0.44 4.71 0.34 1.61 2.02 -1.26 -4.73 118.70 120.96 1lme s GLU 113 Ca 0.00 1.39 -0.17 0.00 0.02 0.00 0.00 54.97 56.21 1lme s GLU 113 Cb 0.00 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 31.07 1lme s GLU 113 CO 0.00 0.42 0.79 0.71 0.02 0.00 0.00 175.26 177.20 1lme s TYR 114 N -1.37 3.38 0.02 1.61 1.51 -1.26 -0.51 117.35 120.73 1lme s TYR 114 Ca 0.45 1.33 0.01 0.00 -1.01 0.00 0.00 57.07 57.85 1lme s TYR 114 Cb -0.22 -2.62 -0.01 0.00 -0.11 0.00 0.00 41.96 38.99 1lme s TYR 114 CO 0.28 0.06 -0.05 0.08 -1.11 0.00 0.00 175.55 174.82 1lme s VAL 115 N -1.99 0.34 -0.01 0.71 1.01 0.17 -4.92 120.40 115.70 1lme s VAL 115 Ca 0.55 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1lme s VAL 115 Cb -0.10 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1lme s VAL 115 CO 0.17 -0.16 -0.02 -0.70 0.00 0.00 0.00 175.10 174.39 1lme s GLU 116 N -0.78 0.28 0.08 2.72 2.12 -1.26 -0.51 118.70 121.34 1lme s GLU 116 Ca -0.05 -0.06 -0.26 0.00 0.36 0.00 0.00 54.97 54.96 1lme s GLU 116 Cb -0.05 -0.33 0.08 0.00 0.26 0.00 0.00 34.13 34.09 1lme s GLU 116 CO -0.00 0.00 0.77 -1.83 -0.54 0.00 0.00 175.26 173.67 1lme s GLU 117 N 0.27 1.05 -0.15 4.30 -1.05 -0.40 -5.00 118.70 117.72 1lme s GLU 117 Ca -0.02 -0.41 -0.10 0.00 -0.15 0.00 0.00 54.97 54.29 1lme s GLU 117 Cb -0.05 0.47 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 1lme s GLU 117 CO -0.01 -0.46 0.17 -2.00 0.95 0.00 0.00 175.26 173.91 1lme s GLU 118 N -3.40 3.87 0.09 -4.83 2.56 -1.26 -0.14 118.70 115.59 1lme s GLU 118 Ca 0.04 -0.10 0.06 0.00 0.00 0.00 0.00 54.97 54.96 1lme s GLU 118 Cb -0.01 -3.31 -0.03 0.00 2.00 0.00 0.00 34.13 32.77 1lme s GLU 118 CO -0.09 0.51 -0.15 -0.51 -0.56 0.00 0.00 175.26 174.46 1lme s LEU 119 N -0.29 2.32 0.27 2.70 1.43 0.26 -4.99 118.68 120.39 1lme s LEU 119 Ca 0.13 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1lme s LEU 119 Cb -0.12 -0.59 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 1lme s LEU 119 CO 0.02 -0.08 0.33 -1.83 0.23 0.00 0.00 176.35 175.02 1lme s GLU 120 N -2.08 1.57 3.93 1.70 -1.05 -1.26 -0.88 118.70 120.64 1lme s GLU 120 Ca 0.03 -1.65 0.00 0.00 -0.15 0.00 0.00 54.97 53.20 1lme s GLU 120 Cb -0.08 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1lme s GLU 120 CO 0.03 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 176.04 1lme n GLY 121 N -0.44 2.50 0.17 -3.83 0.00 -0.20 -2.22 105.19 101.18 1lme n GLY 121 Ca 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1lme n GLY 121 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1lme h TYR 122 N 0.00 -0.04 -0.54 1.61 3.20 -1.97 -1.12 116.97 118.10 1lme h TYR 122 Ca 0.00 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.00 1lme h TYR 122 Cb 0.00 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.27 1lme h TYR 122 CO 0.00 -0.09 0.07 0.00 -1.64 0.00 0.00 178.16 176.50 1lme h ALA 123 N 1.36 0.59 -0.51 1.82 0.00 -1.84 0.54 119.26 121.23 1lme h ALA 123 Ca 0.20 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1lme h ALA 123 Cb 0.29 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1lme h ALA 123 CO -0.34 -0.34 0.12 0.00 0.00 0.00 0.00 179.25 178.69 1lme h ALA 124 N 1.45 1.27 -0.05 0.00 0.00 -0.85 -1.44 119.26 119.64 1lme h ALA 124 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1lme h ALA 124 Cb 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1lme h ALA 124 CO -0.40 0.51 -0.01 -0.09 0.00 0.00 0.00 179.25 179.26 1lme h ARG 125 N 0.74 0.10 -0.83 0.00 2.43 0.09 -2.03 114.38 114.88 1lme h ARG 125 Ca 0.17 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1lme h ARG 125 Cb 0.28 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1lme h ARG 125 CO -0.00 0.43 0.40 0.28 -1.51 0.00 0.00 179.97 179.57 1lme h VAL 126 N -0.24 1.26 -0.29 0.20 2.07 -0.79 -0.74 116.25 117.71 1lme h VAL 126 Ca 0.01 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1lme h VAL 126 Cb 0.40 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1lme h VAL 126 CO 0.00 0.31 0.17 0.15 0.02 0.00 0.00 177.57 178.23 1lme h PHE 127 N 1.19 0.32 -0.73 1.57 3.57 -1.20 -1.05 116.94 120.61 1lme h PHE 127 Ca 0.29 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 1lme h PHE 127 Cb 0.13 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1lme h PHE 127 CO 0.01 0.19 0.32 1.96 -2.23 0.00 0.00 178.31 178.57 1lme h GLN 128 N 0.35 1.07 -0.40 1.11 4.20 -0.90 0.33 115.11 120.86 1lme h GLN 128 Ca 0.11 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1lme h GLN 128 Cb -0.01 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1lme h GLN 128 CO -0.05 0.86 0.27 1.25 -0.67 0.00 0.00 178.83 180.48 1lme h HIS 129 N 1.03 0.51 -0.26 2.96 2.76 -0.76 0.21 115.15 121.61 1lme h HIS 129 Ca 0.25 0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.24 1lme h HIS 129 Cb 0.16 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 1lme h HIS 129 CO 0.01 0.33 -0.57 0.93 -1.30 0.00 0.00 177.93 177.33 1lme h GLU 130 N 0.55 0.80 -0.51 5.26 4.39 -0.96 -2.96 114.58 121.14 1lme h GLU 130 Ca 0.15 -0.52 0.02 0.00 0.34 0.00 0.00 59.36 59.35 1lme h GLU 130 Cb -0.06 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1lme h GLU 130 CO -0.03 1.15 0.31 0.35 -1.16 0.00 0.00 179.01 179.63 1lme h PHE 131 N 0.61 0.59 -0.91 4.33 3.57 -0.05 -2.16 116.94 122.92 1lme h PHE 131 Ca 0.01 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.70 1lme h PHE 131 Cb 1.16 -0.19 -0.10 0.00 2.79 0.00 0.00 35.95 39.61 1lme h PHE 131 CO 0.07 0.34 0.49 -0.44 -2.23 0.00 0.00 178.31 176.54 1lme h ASP 132 N 0.63 0.58 -0.93 0.41 3.32 -0.44 -0.16 116.42 119.83 1lme h ASP 132 Ca 0.20 0.10 0.15 0.00 0.02 0.00 0.00 57.03 57.51 1lme h ASP 132 Cb 0.00 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.49 1lme h ASP 132 CO -0.08 0.20 0.59 0.45 -1.72 0.00 0.00 179.24 178.68 1lme h HIS 133 N 0.63 0.91 0.00 4.55 3.86 -1.27 0.66 115.15 124.48 1lme h HIS 133 Ca 0.52 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1lme h HIS 133 Cb 0.80 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 1lme h HIS 133 CO -0.07 0.32 -0.02 -0.07 0.86 0.00 0.00 177.93 178.95 1lme h LEU 134 N 0.75 0.00 -3.07 2.43 3.38 -1.04 -1.19 115.31 116.58 1lme h LEU 134 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1lme h LEU 134 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1lme h LEU 134 CO -0.24 0.02 0.00 0.59 0.09 0.00 0.00 178.44 178.90 1lme n ASN 135 N -3.15 3.94 -0.65 -0.43 3.02 0.08 -0.51 115.26 117.55 1lme n ASN 135 Ca -0.01 -2.41 -0.08 0.00 -0.03 0.00 0.00 54.58 52.05 1lme n ASN 135 Cb 0.21 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 1lme n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lme n GLY 136 N 0.58 0.95 3.77 7.41 0.00 -0.45 -4.63 105.19 112.82 1lme n GLY 136 Ca 0.20 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1lme n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lme s VAL 137 N -2.31 5.31 0.32 1.61 1.01 -0.37 -4.60 120.40 121.37 1lme s VAL 137 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.20 1lme s VAL 137 Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1lme s VAL 137 CO 0.00 0.52 -0.05 -0.76 0.00 0.00 0.00 175.10 174.81 1lme s LEU 138 N -0.22 2.60 0.35 3.92 1.43 -1.26 -2.95 118.68 122.54 1lme s LEU 138 Ca 0.10 -1.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.05 1lme s LEU 138 Cb -0.12 -0.78 0.80 0.00 0.03 0.00 0.00 46.19 46.12 1lme s LEU 138 CO 0.01 -0.33 1.87 0.16 0.23 0.00 0.00 176.35 178.29 1lme h ILE 139 N 2.10 0.85 0.00 -0.59 3.07 -1.94 -0.63 117.51 120.37 1lme h ILE 139 Ca -0.41 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1lme h ILE 139 Cb 1.24 0.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 1lme h ILE 139 CO 0.70 0.13 0.00 0.16 -1.05 0.00 0.00 178.15 178.09 1lme h ILE 140 N 0.71 0.00 -0.00 0.16 3.07 -1.99 0.13 117.51 119.59 1lme h ILE 140 Ca 0.45 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.71 1lme h ILE 140 Cb 0.69 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 1lme h ILE 140 CO -0.21 0.00 -0.09 0.47 -1.05 0.00 0.00 178.15 177.28 1lme n ASP 141 N -2.58 0.19 -0.27 2.16 8.00 -0.24 -4.00 116.55 119.80 1lme n ASP 141 Ca -0.01 -0.08 0.08 0.00 0.71 0.00 0.00 54.79 55.49 1lme n ASP 141 Cb 0.13 -0.23 0.13 0.00 -0.02 0.00 0.00 41.12 41.13 1lme n ASP 141 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1lme n ARG 142 N -1.28 1.10 -1.68 -1.24 5.12 0.43 -5.03 116.66 114.07 1lme n ARG 142 Ca 0.11 -2.45 -0.45 0.00 -1.93 0.00 0.00 57.85 53.14 1lme n ARG 142 Cb 0.29 -1.32 -0.03 0.00 -1.16 0.00 0.00 32.46 30.24 1lme n ARG 142 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1lme n ILE 143 N -1.11 0.54 -2.85 0.55 5.41 -1.20 -4.47 119.36 116.23 1lme n ILE 143 Ca 0.14 -0.14 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 1lme n ILE 143 Cb 0.67 -1.59 -0.04 0.00 -0.71 0.00 0.00 39.64 37.97 1lme n ILE 143 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1lme s SER 144 N 0.60 7.30 0.00 4.38 0.15 0.66 -4.99 113.70 121.79 1lme s SER 144 Ca 0.72 1.56 0.29 0.00 0.70 0.00 0.00 55.95 59.21 1lme s SER 144 Cb -0.63 -2.52 1.70 0.00 -1.71 0.00 0.00 66.02 62.86 1lme s SER 144 CO 0.44 -0.11 2.04 -0.81 1.20 0.00 0.00 173.24 176.01