#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua n ASN 3 N 0.00 -1.15 -3.91 1.61 6.94 -1.26 -5.13 115.26 112.36 2uua n ASN 3 Ca 0.00 -1.95 -0.25 0.00 -0.02 0.00 0.00 54.58 52.36 2uua n ASN 3 Cb 0.00 0.53 -0.17 0.00 -2.36 0.00 0.00 39.78 37.78 2uua n ASN 3 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2uua s LYS 4 N 0.10 1.35 0.57 -3.83 1.02 -1.26 -5.13 119.74 112.55 2uua s LYS 4 Ca 0.07 -0.22 -0.20 0.00 0.02 0.00 0.00 55.97 55.63 2uua s LYS 4 Cb 0.34 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 2uua s LYS 4 CO -0.10 -0.18 1.26 0.96 -0.92 0.00 0.00 175.35 176.37 2uua s ILE 5 N 1.40 2.43 0.04 2.17 -5.25 -1.26 -4.90 121.20 115.83 2uua s ILE 5 Ca -0.02 0.29 -0.32 0.00 -0.99 0.00 0.00 60.65 59.62 2uua s ILE 5 Cb -0.13 -3.13 -0.11 0.00 2.95 0.00 0.00 42.46 42.03 2uua s ILE 5 CO -0.04 -0.03 1.87 1.57 -1.79 0.00 0.00 174.94 176.52 2uua n HIS 6 N -1.30 2.48 0.17 1.37 -0.00 -1.26 -4.79 115.22 111.89 2uua n HIS 6 Ca 0.12 -0.15 0.10 0.00 -0.00 0.00 0.00 57.72 57.79 2uua n HIS 6 Cb 0.48 -2.72 0.52 0.00 -0.00 0.00 0.00 29.99 28.27 2uua n HIS 6 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2uua n PRO 7 N 6.29 0.13 -0.03 1.57 -0.04 -1.26 -1.67 135.00 139.98 2uua n PRO 7 Ca 0.20 0.61 -0.02 0.00 -0.04 0.00 0.00 63.50 64.24 2uua n PRO 7 Cb 0.36 -1.90 -0.01 0.00 -0.04 0.00 0.00 33.50 31.91 2uua n PRO 7 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2uua h ILE 8 N 0.00 0.00 -1.50 0.52 2.04 -1.88 -3.22 117.51 113.47 2uua h ILE 8 Ca 0.00 -0.42 0.47 0.00 1.00 0.00 0.00 64.86 65.91 2uua h ILE 8 Cb 0.03 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.00 2uua h ILE 8 CO 0.00 0.00 1.01 1.23 0.00 0.00 0.00 178.15 180.39 2uua h GLY 9 N -0.42 0.92 2.00 5.37 0.00 -1.93 2.18 103.07 111.19 2uua h GLY 9 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 2uua h GLY 9 CO 0.00 -0.29 -0.40 -2.75 0.00 0.00 0.00 176.54 173.10 2uua h PHE 10 N 0.04 0.00 -0.01 5.60 3.57 -1.47 -3.24 116.94 121.43 2uua h PHE 10 Ca 0.85 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.35 2uua h PHE 10 Cb 2.92 0.00 0.00 0.00 2.79 0.00 0.00 35.95 41.66 2uua h PHE 10 CO -0.00 0.40 -0.00 0.54 -2.23 0.00 0.00 178.31 177.01 2uua n ARG 11 N -3.52 0.54 -0.31 1.11 1.74 0.70 -4.66 116.66 112.26 2uua n ARG 11 Ca -0.00 -1.16 0.24 0.00 -0.77 0.00 0.00 57.85 56.16 2uua n ARG 11 Cb 0.53 -1.21 0.46 0.00 -1.02 0.00 0.00 32.46 31.21 2uua n ARG 11 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2uua n LEU 12 N 0.62 0.17 0.31 0.55 4.77 0.85 0.01 117.00 124.29 2uua n LEU 12 Ca 0.06 1.57 -0.12 0.00 -0.03 0.00 0.00 56.01 57.49 2uua n LEU 12 Cb 0.28 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 2uua n LEU 12 CO 0.07 -1.70 0.50 1.23 -1.33 0.00 0.00 177.39 176.17 2uua h GLY 13 N 0.00 -0.84 0.00 -0.72 0.00 -1.83 -3.39 103.07 96.29 2uua h GLY 13 Ca 0.72 0.31 0.00 0.00 0.00 0.00 0.00 47.33 48.36 2uua h GLY 13 CO -0.78 -0.30 0.00 1.39 0.00 0.00 0.00 176.54 176.85 2uua n ILE 14 N -4.23 0.00 0.00 2.60 2.08 0.10 -4.77 119.36 115.15 2uua n ILE 14 Ca -0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.21 2uua n ILE 14 Cb 0.32 -0.68 0.00 0.00 -0.75 0.00 0.00 39.64 38.52 2uua n ILE 14 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2uua n THR 15 N 0.00 0.00 -3.72 1.39 -2.24 -1.25 -4.37 114.28 104.08 2uua n THR 15 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 2uua n THR 15 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 2uua n THR 15 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2uua s ARG 16 N 0.00 3.26 0.20 -0.78 6.06 -1.15 -4.98 118.95 121.56 2uua s ARG 16 Ca 0.00 -0.90 0.03 0.00 -2.50 0.00 0.00 55.73 52.36 2uua s ARG 16 Cb 0.00 -2.84 -0.05 0.00 0.06 0.00 0.00 34.95 32.12 2uua s ARG 16 CO 0.00 0.24 -0.02 0.34 -2.50 0.00 0.00 175.30 173.36 2uua s ASP 17 N -4.07 1.63 0.74 -2.12 -1.08 -1.26 -4.41 116.67 106.09 2uua s ASP 17 Ca 0.39 -1.17 -0.12 0.00 -0.52 0.00 0.00 52.55 51.14 2uua s ASP 17 Cb -0.09 0.04 0.04 0.00 -1.46 0.00 0.00 42.92 41.45 2uua s ASP 17 CO 0.30 -0.50 1.09 0.26 0.52 0.00 0.00 175.17 176.84 2uua s TRP 18 N -3.48 2.64 -1.34 -5.34 0.51 -1.26 -4.97 118.94 105.71 2uua s TRP 18 Ca 0.25 1.54 0.19 0.00 -2.12 0.00 0.00 56.10 55.96 2uua s TRP 18 Cb 0.05 -3.06 0.64 0.00 -0.81 0.00 0.00 33.47 30.29 2uua s TRP 18 CO 0.06 -1.71 1.55 0.39 -0.51 0.00 0.00 176.95 176.73 2uua n GLU 19 N -3.21 3.27 -2.92 4.98 1.02 -1.26 -4.67 120.64 117.86 2uua n GLU 19 Ca 0.09 -2.72 -0.02 0.00 -0.02 0.00 0.00 57.16 54.50 2uua n GLU 19 Cb 0.53 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2uua n GLU 19 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2uua s SER 20 N -1.00 -1.30 -0.51 1.62 0.01 -1.26 -2.93 113.70 108.34 2uua s SER 20 Ca 0.47 -1.15 -0.22 0.00 1.31 0.00 0.00 55.95 56.36 2uua s SER 20 Cb 0.28 1.68 0.04 0.00 0.21 0.00 0.00 66.02 68.23 2uua s SER 20 CO 0.26 -0.09 0.76 0.00 0.41 0.00 0.00 173.24 174.58 2uua s ARG 21 N 1.31 3.25 -0.30 12.44 1.70 -0.97 -4.96 118.95 131.42 2uua s ARG 21 Ca 0.23 -0.50 -0.18 0.00 -0.47 0.00 0.00 55.73 54.81 2uua s ARG 21 Cb -0.00 -4.04 0.19 0.00 -0.57 0.00 0.00 34.95 30.53 2uua s ARG 21 CO -0.07 -1.27 1.24 1.67 -1.08 0.00 0.00 175.30 175.79 2uua s TRP 22 N 3.20 -0.16 0.78 5.89 1.48 -1.26 -3.83 118.94 125.04 2uua s TRP 22 Ca 0.23 0.29 -0.11 0.00 -1.06 0.00 0.00 56.10 55.45 2uua s TRP 22 Cb -0.15 0.10 0.06 0.00 -1.16 0.00 0.00 33.47 32.32 2uua s TRP 22 CO 0.17 -0.08 1.09 -0.47 -4.06 0.00 0.00 176.95 173.60 2uua s TYR 23 N 1.83 2.61 0.07 1.66 5.04 -1.26 -5.03 117.35 122.27 2uua s TYR 23 Ca -0.02 1.47 -0.27 0.00 -2.44 0.00 0.00 57.07 55.81 2uua s TYR 23 Cb -0.02 -3.05 0.09 0.00 0.35 0.00 0.00 41.96 39.33 2uua s TYR 23 CO -0.15 -1.83 0.93 0.00 -1.34 0.00 0.00 175.55 173.16 2uua s ALA 24 N -2.94 -1.76 0.26 3.97 0.00 -1.26 -5.01 121.76 115.03 2uua s ALA 24 Ca 0.61 0.61 0.07 0.00 0.00 0.00 0.00 51.96 53.25 2uua s ALA 24 Cb -0.17 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 2uua s ALA 24 CO 0.56 -0.85 0.21 0.20 0.00 0.00 0.00 175.76 175.88 2uua s GLY 25 N -2.70 1.44 0.10 0.00 0.00 -1.26 -4.85 107.32 100.05 2uua s GLY 25 Ca 0.08 -1.44 0.02 0.00 0.00 0.00 0.00 44.72 43.39 2uua s GLY 25 CO -0.04 -1.47 0.79 0.58 0.00 0.00 0.00 173.10 172.96 2uua n LYS 26 N -1.21 0.02 -0.04 2.90 2.85 -1.26 -1.26 118.16 120.16 2uua n LYS 26 Ca -0.07 0.28 -0.03 0.00 -1.05 0.00 0.00 58.31 57.44 2uua n LYS 26 Cb 0.58 -1.94 -0.14 0.00 -0.65 0.00 0.00 35.03 32.88 2uua n LYS 26 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2uua n LYS 27 N -1.40 0.66 -0.04 -1.58 5.02 -1.26 -4.71 118.16 114.85 2uua n LYS 27 Ca -0.00 0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.26 2uua n LYS 27 Cb 0.39 -1.60 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 2uua n LYS 27 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2uua n GLN 28 N -2.69 1.25 -0.15 1.97 3.00 -0.39 -4.79 117.38 115.58 2uua n GLN 28 Ca -0.20 0.03 0.02 0.00 -0.01 0.00 0.00 57.00 56.84 2uua n GLN 28 Cb 0.94 -1.18 0.05 0.00 0.00 0.00 0.00 30.24 30.06 2uua n GLN 28 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2uua n TYR 29 N -2.57 0.12 -0.33 1.08 -0.00 -0.97 0.10 117.16 114.60 2uua n TYR 29 Ca -0.14 0.50 -0.03 0.00 -0.00 0.00 0.00 57.90 58.23 2uua n TYR 29 Cb 0.69 -0.72 0.09 0.00 -0.00 0.00 0.00 39.34 39.40 2uua n TYR 29 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 2uua h ARG 30 N 0.00 1.20 0.35 2.98 0.11 -1.86 -1.69 114.38 115.46 2uua h ARG 30 Ca 0.19 -0.09 -0.02 0.00 0.10 0.00 0.00 59.98 60.16 2uua h ARG 30 Cb 0.29 -0.26 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2uua h ARG 30 CO -0.42 0.81 -0.17 0.45 0.10 0.00 0.00 179.97 180.74 2uua h HIS 31 N 1.22 -0.44 -0.26 4.08 3.86 0.39 0.11 115.15 124.11 2uua h HIS 31 Ca 0.33 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.60 2uua h HIS 31 Cb -0.10 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2uua h HIS 31 CO -0.00 -0.15 0.29 -0.07 0.86 0.00 0.00 177.93 178.86 2uua h LEU 32 N -0.70 0.00 0.06 2.43 3.38 -1.33 -0.51 115.31 118.63 2uua h LEU 32 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2uua h LEU 32 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2uua h LEU 32 CO 0.08 0.00 -0.03 0.25 0.09 0.00 0.00 178.44 178.83 2uua h LEU 33 N 0.00 -0.06 -1.81 1.67 5.85 -0.96 -2.86 115.31 117.14 2uua h LEU 33 Ca 0.12 -0.09 0.27 0.00 0.84 0.00 0.00 57.88 59.03 2uua h LEU 33 Cb 0.70 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 2uua h LEU 33 CO -0.00 0.47 0.81 0.25 -0.34 0.00 0.00 178.44 179.63 2uua h LEU 34 N -1.01 0.00 0.15 2.25 7.12 -0.03 -0.60 115.31 123.19 2uua h LEU 34 Ca -0.01 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 2uua h LEU 34 Cb 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.28 2uua h LEU 34 CO 0.01 0.00 -0.07 -0.08 -0.13 0.00 0.00 178.44 178.17 2uua h GLU 35 N 0.00 -0.19 -0.90 1.25 4.81 -1.17 -2.56 114.58 115.82 2uua h GLU 35 Ca 0.44 0.01 0.35 0.00 -0.13 0.00 0.00 59.36 60.04 2uua h GLU 35 Cb 2.07 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 31.33 2uua h GLU 35 CO -0.00 -0.13 0.38 -0.25 -0.73 0.00 0.00 179.01 178.28 2uua n ASP 36 N -2.95 0.22 0.09 1.04 10.43 -0.31 0.16 116.55 125.23 2uua n ASP 36 Ca -0.02 1.51 -0.13 0.00 2.57 0.00 0.00 54.79 58.71 2uua n ASP 36 Cb 0.08 -0.69 -0.08 0.00 1.84 0.00 0.00 41.12 42.27 2uua n ASP 36 CO 0.00 0.00 0.00 -0.61 -1.07 0.00 0.00 177.20 175.52 2uua h GLN 37 N 0.00 -0.20 -0.87 -1.24 5.75 -1.40 0.59 115.11 117.74 2uua h GLN 37 Ca 0.72 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 59.31 2uua h GLN 37 Cb 1.82 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 30.35 2uua h GLN 37 CO -0.73 0.03 0.53 0.00 -2.65 0.00 0.00 178.83 176.01 2uua h ARG 38 N -0.41 0.91 0.29 1.69 3.08 0.19 0.22 114.38 120.35 2uua h ARG 38 Ca -0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2uua h ARG 38 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2uua h ARG 38 CO 0.03 0.60 -0.25 0.82 -1.07 0.00 0.00 179.97 180.11 2uua h ILE 39 N 0.94 0.00 0.00 2.04 2.04 -0.07 0.03 117.51 122.49 2uua h ILE 39 Ca 0.39 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.25 2uua h ILE 39 Cb 0.25 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2uua h ILE 39 CO -0.20 0.00 0.24 0.03 0.00 0.00 0.00 178.15 178.22 2uua h ARG 40 N -0.53 0.00 0.72 2.37 3.08 -0.41 -1.51 114.38 118.10 2uua h ARG 40 Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2uua h ARG 40 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2uua h ARG 40 CO -0.01 0.00 -0.39 0.78 -1.07 0.00 0.00 179.97 179.27 2uua h GLY 41 N 0.00 -1.14 0.34 0.04 0.00 0.15 -1.88 103.07 100.58 2uua h GLY 41 Ca 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 2uua h GLY 41 CO 0.00 -0.40 -0.04 1.41 0.00 0.00 0.00 176.54 177.51 2uua h LEU 42 N -1.03 -0.10 -1.78 3.11 4.07 -1.28 -2.72 115.31 115.57 2uua h LEU 42 Ca -0.10 -0.49 0.54 0.00 0.08 0.00 0.00 57.88 57.92 2uua h LEU 42 Cb 0.81 0.03 -0.10 0.00 1.08 0.00 0.00 40.66 42.47 2uua h LEU 42 CO 0.13 0.50 1.25 0.18 -1.08 0.00 0.00 178.44 179.41 2uua n LEU 43 N -4.85 0.07 -0.07 1.67 7.99 -0.64 0.35 117.00 121.52 2uua n LEU 43 Ca -0.08 1.13 -0.10 0.00 -0.01 0.00 0.00 56.01 56.95 2uua n LEU 43 Cb 0.29 -0.56 -0.15 0.00 -0.11 0.00 0.00 43.42 42.89 2uua n LEU 43 CO 0.29 -1.17 -0.92 -0.62 -1.51 0.00 0.00 177.39 173.46 2uua n GLU 44 N -4.19 0.67 0.00 3.23 1.02 -0.71 -3.08 120.64 117.58 2uua n GLU 44 Ca 0.43 0.11 0.14 0.00 -0.02 0.00 0.00 57.16 57.82 2uua n GLU 44 Cb 1.87 -1.63 0.58 0.00 -0.02 0.00 0.00 31.44 32.24 2uua n GLU 44 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2uua n LYS 45 N -2.87 0.24 -0.05 3.49 5.02 0.15 -3.78 118.16 120.36 2uua n LYS 45 Ca -0.27 -0.06 -0.08 0.00 -2.02 0.00 0.00 58.31 55.88 2uua n LYS 45 Cb 1.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.60 2uua n LYS 45 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2uua n GLU 46 N -1.33 0.36 0.00 1.97 -0.58 0.11 -4.62 120.64 116.55 2uua n GLU 46 Ca 0.10 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2uua n GLU 46 Cb 0.31 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 2uua n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2uua n LEU 47 N -4.11 0.54 -0.13 -4.62 4.32 -1.18 -3.89 117.00 107.93 2uua n LEU 47 Ca -0.13 -0.27 -0.06 0.00 -0.02 0.00 0.00 56.01 55.53 2uua n LEU 47 Cb 0.41 -0.27 0.03 0.00 -1.62 0.00 0.00 43.42 41.97 2uua n LEU 47 CO 0.13 0.13 0.99 0.22 -1.22 0.00 0.00 177.39 177.64 2uua h TYR 48 N 0.32 0.38 -1.00 -1.77 3.20 -1.82 -0.58 116.97 115.70 2uua h TYR 48 Ca 0.00 0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.12 2uua h TYR 48 Cb 0.27 -0.11 -0.12 0.00 1.54 0.00 0.00 36.73 38.31 2uua h TYR 48 CO 0.00 0.19 0.59 0.77 -1.64 0.00 0.00 178.16 178.07 2uua h SER 49 N 0.42 0.69 0.17 -2.11 0.02 -1.93 0.78 113.55 111.58 2uua h SER 49 Ca 0.18 0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 61.09 2uua h SER 49 Cb 0.10 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2uua h SER 49 CO -0.13 0.14 -0.65 0.00 -1.14 0.00 0.00 176.83 175.04 2uua h ALA 50 N 1.71 0.65 -2.28 3.77 0.00 -1.62 -3.49 119.26 118.01 2uua h ALA 50 Ca 0.63 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2uua h ALA 50 Cb 1.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2uua h ALA 50 CO -0.46 0.73 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2uua n GLY 51 N 0.42 -0.06 3.61 0.00 0.00 0.27 -3.69 105.19 105.74 2uua n GLY 51 Ca -0.04 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 2uua n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2uua s LEU 52 N -1.44 3.72 0.00 0.99 2.34 -1.21 -4.09 118.68 118.98 2uua s LEU 52 Ca 0.00 1.19 0.00 0.00 0.06 0.00 0.00 54.13 55.38 2uua s LEU 52 Cb 0.00 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 42.09 2uua s LEU 52 CO 0.00 -1.35 0.36 0.00 -1.06 0.00 0.00 176.35 174.30 2uua n ALA 53 N 8.67 -0.11 -2.54 1.48 0.00 0.03 -4.93 120.51 123.11 2uua n ALA 53 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 2uua n ALA 53 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 2uua n ALA 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2uua s ARG 54 N -1.14 1.95 -0.35 0.00 3.52 -1.24 -4.96 118.95 116.72 2uua s ARG 54 Ca 0.00 -1.54 0.00 0.00 -0.13 0.00 0.00 55.73 54.07 2uua s ARG 54 Cb 0.00 -1.98 0.14 0.00 -1.56 0.00 0.00 34.95 31.55 2uua s ARG 54 CO 0.00 0.37 0.23 0.08 -0.81 0.00 0.00 175.30 175.16 2uua s VAL 55 N -2.23 0.09 0.92 7.11 1.01 -1.26 -1.25 120.40 124.78 2uua s VAL 55 Ca 0.29 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.49 2uua s VAL 55 Cb -0.06 -1.07 0.15 0.00 0.00 0.00 0.00 36.38 35.40 2uua s VAL 55 CO 0.16 -0.95 1.22 -1.81 0.00 0.00 0.00 175.10 173.72 2uua s ASP 56 N 1.11 3.53 -0.29 3.32 1.11 -1.17 -4.88 116.67 119.40 2uua s ASP 56 Ca 0.18 0.62 -0.11 0.00 0.18 0.00 0.00 52.55 53.42 2uua s ASP 56 Cb -0.22 -0.94 0.12 0.00 1.07 0.00 0.00 42.92 42.94 2uua s ASP 56 CO 0.01 -2.51 0.63 -0.63 1.18 0.00 0.00 175.17 173.85 2uua s ILE 57 N -3.59 -0.80 0.02 0.77 1.01 -1.15 -3.47 121.20 113.99 2uua s ILE 57 Ca 0.67 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.40 2uua s ILE 57 Cb -0.09 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 2uua s ILE 57 CO 0.52 0.01 -0.17 -1.61 0.00 0.00 0.00 174.94 173.69 2uua s GLU 58 N 2.65 2.21 0.13 2.79 2.02 -0.57 -2.30 118.70 125.62 2uua s GLU 58 Ca -0.06 -0.90 0.04 0.00 0.02 0.00 0.00 54.97 54.07 2uua s GLU 58 Cb -0.11 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 2uua s GLU 58 CO -0.19 0.56 -0.11 1.03 0.02 0.00 0.00 175.26 176.58 2uua s ARG 59 N -1.25 0.99 0.00 1.61 0.52 -1.25 0.38 118.95 119.95 2uua s ARG 59 Ca 0.14 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.02 2uua s ARG 59 Cb -0.11 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 34.72 2uua s ARG 59 CO 0.04 0.09 0.00 0.00 0.02 0.00 0.00 175.30 175.46 2uua n ALA 60 N 0.15 2.63 0.00 2.13 0.00 -1.06 -4.91 120.51 119.45 2uua n ALA 60 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2uua n ALA 60 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2uua n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uua n ALA 61 N -2.15 0.00 -1.05 0.00 0.00 -1.26 -4.89 120.51 111.16 2uua n ALA 61 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2uua n ALA 61 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 2uua n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2uua n ASP 62 N 0.00 -4.23 -4.05 0.00 8.00 -1.26 -4.96 116.55 110.06 2uua n ASP 62 Ca 0.00 0.04 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 2uua n ASP 62 Cb 0.00 -1.88 -0.17 0.00 -0.02 0.00 0.00 41.12 39.06 2uua n ASP 62 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2uua s ASN 63 N -2.18 2.33 -0.32 -2.24 0.01 -1.26 -3.41 114.94 107.87 2uua s ASN 63 Ca 0.00 -0.40 -0.02 0.00 -0.71 0.00 0.00 52.86 51.73 2uua s ASN 63 Cb 0.00 -1.04 0.12 0.00 0.41 0.00 0.00 41.25 40.74 2uua s ASN 63 CO 0.00 0.01 0.17 -0.69 -1.51 0.00 0.00 177.10 175.08 2uua s VAL 64 N 0.96 0.09 -0.00 1.60 1.01 -1.25 -2.58 120.40 120.23 2uua s VAL 64 Ca -0.08 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 2uua s VAL 64 Cb -0.15 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 35.07 2uua s VAL 64 CO -0.01 -0.85 1.74 0.00 0.00 0.00 0.00 175.10 175.98 2uua s ALA 65 N 1.56 3.62 -0.69 5.51 0.00 0.16 -4.00 121.76 127.92 2uua s ALA 65 Ca 0.13 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.25 2uua s ALA 65 Cb -0.20 -3.76 0.21 0.00 0.00 0.00 0.00 23.12 19.37 2uua s ALA 65 CO -0.18 -1.38 0.63 0.28 0.00 0.00 0.00 175.76 175.11 2uua n VAL 66 N 5.33 2.08 -2.40 0.00 0.31 -0.80 -1.52 118.33 121.33 2uua n VAL 66 Ca 0.18 -5.05 -0.37 0.00 -0.01 0.00 0.00 64.34 59.09 2uua n VAL 66 Cb 0.42 -2.16 -0.04 0.00 -0.91 0.00 0.00 33.84 31.15 2uua n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2uua s THR 67 N -1.93 3.77 -0.16 2.52 2.01 -1.23 -2.90 115.64 117.72 2uua s THR 67 Ca 0.32 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 2uua s THR 67 Cb 0.04 -4.73 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 2uua s THR 67 CO -0.10 -1.63 1.08 -0.69 -0.69 0.00 0.00 174.62 172.60 2uua s VAL 68 N 6.58 4.60 -0.42 3.82 1.01 -1.23 -3.03 120.40 131.73 2uua s VAL 68 Ca 0.53 1.91 -0.15 0.00 0.00 0.00 0.00 61.98 64.27 2uua s VAL 68 Cb -0.02 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2uua s VAL 68 CO -0.06 -0.10 0.31 -1.00 0.00 0.00 0.00 175.10 174.25 2uua s HIS 69 N 2.76 3.24 0.33 5.22 3.76 -0.38 -0.71 115.29 129.51 2uua s HIS 69 Ca 0.48 -0.70 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 2uua s HIS 69 Cb -0.18 -2.69 -0.07 0.00 1.11 0.00 0.00 32.58 30.76 2uua s HIS 69 CO 0.13 -0.64 0.01 0.08 -0.85 0.00 0.00 174.74 173.47 2uua s VAL 70 N 1.66 1.54 -0.35 -0.90 1.01 0.15 -0.79 120.40 122.72 2uua s VAL 70 Ca 0.04 -2.05 0.22 0.00 0.00 0.00 0.00 61.98 60.20 2uua s VAL 70 Cb -0.20 -2.73 -0.30 0.00 0.00 0.00 0.00 36.38 33.15 2uua s VAL 70 CO 0.09 -0.10 0.63 0.00 0.00 0.00 0.00 175.10 175.71 2uua n ALA 71 N -0.72 3.45 -3.11 5.51 0.00 -1.26 0.18 120.51 124.56 2uua n ALA 71 Ca -0.04 -0.54 -0.24 0.00 0.00 0.00 0.00 53.44 52.62 2uua n ALA 71 Cb 0.66 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 2uua n ALA 71 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2uua n LYS 72 N -2.01 2.29 -0.25 0.00 5.02 -1.24 -4.72 118.16 117.23 2uua n LYS 72 Ca -0.01 -4.28 0.32 0.00 -2.02 0.00 0.00 58.31 52.31 2uua n LYS 72 Cb 0.49 -2.01 0.74 0.00 -0.02 0.00 0.00 35.03 34.23 2uua n LYS 72 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2uua h PRO 73 N 3.27 0.00 0.00 1.97 0.13 -1.89 0.52 132.00 136.00 2uua h PRO 73 Ca 0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2uua h PRO 73 Cb 0.69 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2uua h PRO 73 CO 0.70 0.00 0.15 0.41 -0.23 0.00 0.00 178.00 179.03 2uua n GLY 74 N -1.74 -0.49 0.07 1.56 0.00 -1.26 0.94 105.19 104.26 2uua n GLY 74 Ca 0.22 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.32 2uua n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uua n VAL 75 N -1.64 0.82 0.13 1.61 0.31 0.17 -3.27 118.33 116.46 2uua n VAL 75 Ca -0.00 -0.65 -0.24 0.00 -0.01 0.00 0.00 64.34 63.43 2uua n VAL 75 Cb 0.16 -0.42 -0.16 0.00 -0.91 0.00 0.00 33.84 32.51 2uua n VAL 75 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2uua h VAL 76 N 0.00 1.27 0.07 2.52 2.07 0.43 -3.36 116.25 119.25 2uua h VAL 76 Ca -0.17 -2.66 -0.00 0.00 0.82 0.00 0.00 66.70 64.69 2uua h VAL 76 Cb 1.47 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 34.28 2uua h VAL 76 CO 0.02 0.80 -0.04 0.40 0.02 0.00 0.00 177.57 178.78 2uua h ILE 77 N 0.08 1.17 0.00 4.57 1.08 -1.26 0.20 117.51 123.35 2uua h ILE 77 Ca -0.25 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.30 2uua h ILE 77 Cb 2.11 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.61 2uua h ILE 77 CO 0.25 0.22 0.00 0.61 -0.69 0.00 0.00 178.15 178.55 2uua n GLY 78 N 0.01 -1.47 3.56 5.37 0.00 -1.20 -0.37 105.19 111.08 2uua n GLY 78 Ca -0.08 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 2uua n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uua s ARG 79 N 0.00 2.12 0.00 1.61 0.52 -1.26 -3.76 118.95 118.17 2uua s ARG 79 Ca 0.00 0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 2uua s ARG 79 Cb 0.00 -4.88 0.00 0.00 0.52 0.00 0.00 34.95 30.59 2uua s ARG 79 CO 0.00 -3.80 0.00 0.41 0.02 0.00 0.00 175.30 171.93 2uua n GLY 80 N 6.72 0.97 0.00 -3.53 0.00 -1.26 -2.24 105.19 105.85 2uua n GLY 80 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2uua n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 81 N 0.00 0.00 0.28 -0.02 0.00 -1.24 -5.02 105.19 99.19 2uua n GLY 81 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2uua n GLY 81 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2uua h GLU 82 N 0.00 0.00 0.00 1.61 4.57 -1.44 -3.05 114.58 116.27 2uua h GLU 82 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2uua h GLU 82 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2uua h GLU 82 CO 0.00 0.00 -0.13 -0.09 -1.18 0.00 0.00 179.01 177.61 2uua h ARG 83 N 0.00 0.00 0.00 1.92 9.65 -0.94 -3.24 114.38 121.77 2uua h ARG 83 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2uua h ARG 83 Cb 0.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 2uua h ARG 83 CO 0.00 0.00 0.18 1.51 2.80 0.00 0.00 179.97 184.46 2uua n ILE 84 N -3.63 1.12 -0.07 1.20 3.06 0.69 -1.29 119.36 120.45 2uua n ILE 84 Ca -0.02 0.60 -0.08 0.00 -2.50 0.00 0.00 62.75 60.75 2uua n ILE 84 Cb 0.07 -1.60 -0.06 0.00 0.54 0.00 0.00 39.64 38.59 2uua n ILE 84 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 2uua h ARG 85 N 0.00 0.00 -0.17 9.51 9.65 -1.66 -3.07 114.38 128.64 2uua h ARG 85 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 2uua h ARG 85 Cb 0.36 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2uua h ARG 85 CO 0.00 0.45 0.14 0.28 2.80 0.00 0.00 179.97 183.64 2uua h VAL 86 N -1.00 0.74 -0.01 0.20 2.07 -1.21 -2.55 116.25 114.49 2uua h VAL 86 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2uua h VAL 86 Cb 0.56 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2uua h VAL 86 CO -0.03 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.46 2uua h LEU 87 N 0.00 0.05 -1.60 2.57 3.38 -1.56 -2.75 115.31 115.40 2uua h LEU 87 Ca 0.08 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2uua h LEU 87 Cb 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2uua h LEU 87 CO -0.00 0.66 0.29 0.03 0.09 0.00 0.00 178.44 179.50 2uua h ARG 88 N -0.56 0.00 0.25 1.13 3.08 -1.35 0.71 114.38 117.64 2uua h ARG 88 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2uua h ARG 88 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2uua h ARG 88 CO 0.01 0.00 -0.12 1.49 -1.07 0.00 0.00 179.97 180.27 2uua h GLU 89 N 0.00 -0.33 -0.97 0.04 4.57 -1.36 -3.05 114.58 113.48 2uua h GLU 89 Ca 0.00 0.02 0.30 0.00 -1.18 0.00 0.00 59.36 58.51 2uua h GLU 89 Cb 0.58 0.07 -0.15 0.00 -0.16 0.00 0.00 28.75 29.09 2uua h GLU 89 CO 0.00 -0.22 0.46 0.93 -1.18 0.00 0.00 179.01 179.01 2uua h GLU 90 N -0.80 0.26 0.00 1.92 4.39 -0.68 0.35 114.58 120.03 2uua h GLU 90 Ca -0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2uua h GLU 90 Cb 0.26 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2uua h GLU 90 CO 0.06 0.17 0.00 -0.11 -1.16 0.00 0.00 179.01 177.97 2uua n LEU 91 N -5.12 0.00 0.27 1.33 0.00 -0.66 -0.64 117.00 112.19 2uua n LEU 91 Ca 0.29 0.85 0.15 0.00 0.00 0.00 0.00 56.01 57.30 2uua n LEU 91 Cb 0.92 -0.35 0.74 0.00 0.00 0.00 0.00 43.42 44.73 2uua n LEU 91 CO 0.08 -0.35 0.98 0.00 0.00 0.00 0.00 177.39 178.10 2uua h ALA 92 N -1.73 1.11 -0.44 1.96 0.00 -1.32 -1.70 119.26 117.13 2uua h ALA 92 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2uua h ALA 92 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2uua h ALA 92 CO 0.00 0.11 -0.22 0.87 0.00 0.00 0.00 179.25 180.01 2uua h LYS 93 N 0.00 0.93 0.17 0.00 1.79 -0.19 -3.07 116.57 116.21 2uua h LYS 93 Ca -0.00 -0.41 -0.01 0.00 -2.18 0.00 0.00 60.65 58.05 2uua h LYS 93 Cb 0.41 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2uua h LYS 93 CO 0.01 1.07 -0.08 1.25 -1.08 0.00 0.00 179.45 180.62 2uua h LEU 94 N 0.77 -0.19 0.00 2.94 5.85 -0.32 -3.43 115.31 120.92 2uua h LEU 94 Ca 0.10 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2uua h LEU 94 Cb 0.80 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2uua h LEU 94 CO 0.07 0.02 0.00 0.35 -0.34 0.00 0.00 178.44 178.53 2uua n THR 95 N -3.47 0.00 0.00 1.05 -2.24 -0.69 -5.00 114.28 103.93 2uua n THR 95 Ca -0.03 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2uua n THR 95 Cb 0.09 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 2uua n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uua n GLY 96 N 1.19 -0.16 3.86 3.38 0.00 -1.16 -5.05 105.19 107.25 2uua n GLY 96 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2uua n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uua s LYS 97 N 0.00 3.20 -0.25 1.61 -0.14 -1.26 -5.04 119.74 117.85 2uua s LYS 97 Ca 0.00 -0.57 -0.06 0.00 -1.36 0.00 0.00 55.97 53.98 2uua s LYS 97 Cb 0.00 -2.90 -0.01 0.00 -1.68 0.00 0.00 37.83 33.24 2uua s LYS 97 CO 0.00 0.58 0.05 -0.80 -0.76 0.00 0.00 175.35 174.42 2uua s ASN 98 N -2.55 4.93 0.05 2.83 0.01 -1.22 -3.81 114.94 115.18 2uua s ASN 98 Ca 0.33 -0.39 -0.02 0.00 -0.71 0.00 0.00 52.86 52.07 2uua s ASN 98 Cb -0.12 -1.87 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 2uua s ASN 98 CO 0.26 -0.07 0.00 0.68 -1.51 0.00 0.00 177.10 176.46 2uua s VAL 99 N 1.55 0.18 -0.41 1.60 -7.23 -1.26 -4.58 120.40 110.25 2uua s VAL 99 Ca 0.05 -1.51 -0.28 0.00 -1.81 0.00 0.00 61.98 58.44 2uua s VAL 99 Cb -0.15 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 2uua s VAL 99 CO 0.02 -0.83 1.93 0.00 -0.31 0.00 0.00 175.10 175.90 2uua s ALA 100 N -3.31 2.52 -1.27 1.32 0.00 -1.26 -4.91 121.76 114.87 2uua s ALA 100 Ca 0.01 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 2uua s ALA 100 Cb 0.03 -4.14 0.17 0.00 0.00 0.00 0.00 23.12 19.19 2uua s ALA 100 CO -0.08 -3.20 1.98 -0.11 0.00 0.00 0.00 175.76 174.36 2uua n LEU 101 N 11.74 7.06 -4.14 0.00 0.00 -1.26 -1.90 117.00 128.50 2uua n LEU 101 Ca 0.25 -4.79 -0.25 0.00 0.00 0.00 0.00 56.01 51.21 2uua n LEU 101 Cb 0.49 -1.41 0.23 0.00 0.00 0.00 0.00 43.42 42.72 2uua n LEU 101 CO 0.69 1.63 0.22 0.59 0.00 0.00 0.00 177.39 180.52 2uua n ASN 102 N 2.88 -3.54 -3.20 1.96 5.03 -1.14 -4.91 115.26 112.34 2uua n ASN 102 Ca 0.45 -0.62 -0.08 0.00 0.87 0.00 0.00 54.58 55.20 2uua n ASN 102 Cb 0.32 -0.91 -0.04 0.00 -1.02 0.00 0.00 39.78 38.13 2uua n ASN 102 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2uua s VAL 103 N -2.11 -0.68 0.25 2.41 1.01 -1.26 -3.57 120.40 116.45 2uua s VAL 103 Ca 0.53 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 2uua s VAL 103 Cb -0.10 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.88 2uua s VAL 103 CO 0.47 -0.28 0.78 -1.58 0.00 0.00 0.00 175.10 174.48 2uua s GLN 104 N 1.42 4.33 0.07 2.72 -0.44 0.11 -4.93 119.66 122.94 2uua s GLN 104 Ca 0.20 0.98 -0.04 0.00 -2.50 0.00 0.00 55.36 54.00 2uua s GLN 104 Cb -0.07 -2.85 -0.05 0.00 -1.64 0.00 0.00 33.01 28.40 2uua s GLN 104 CO -0.06 0.36 0.29 -2.00 0.50 0.00 0.00 175.29 174.38 2uua s GLU 105 N -2.01 3.55 -0.31 1.67 2.12 -1.25 -0.67 118.70 121.78 2uua s GLU 105 Ca 0.45 -0.20 -0.19 0.00 0.36 0.00 0.00 54.97 55.39 2uua s GLU 105 Cb -0.17 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 2uua s GLU 105 CO 0.22 0.57 0.59 0.08 -0.54 0.00 0.00 175.26 176.18 2uua s VAL 106 N -1.50 4.96 -1.07 3.70 1.01 0.47 -4.82 120.40 123.15 2uua s VAL 106 Ca 0.35 0.72 -0.22 0.00 0.00 0.00 0.00 61.98 62.82 2uua s VAL 106 Cb -0.13 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2uua s VAL 106 CO 0.23 -0.15 1.65 -1.10 0.00 0.00 0.00 175.10 175.73 2uua s GLN 107 N 2.54 3.38 0.00 2.72 1.11 -1.26 -4.22 119.66 123.92 2uua s GLN 107 Ca 0.23 -1.15 0.00 0.00 0.01 0.00 0.00 55.36 54.45 2uua s GLN 107 Cb -0.15 -5.33 0.00 0.00 -1.01 0.00 0.00 33.01 26.52 2uua s GLN 107 CO 0.12 -2.61 0.00 -1.71 0.01 0.00 0.00 175.29 171.10 2uua n ASN 108 N 10.27 -0.96 0.00 5.90 2.85 -1.26 -4.92 115.26 127.14 2uua n ASN 108 Ca 0.39 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.92 2uua n ASN 108 Cb 0.49 -0.48 0.34 0.00 1.24 0.00 0.00 39.78 41.37 2uua n ASN 108 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2uua n PRO 109 N 0.28 0.64 -1.00 1.20 -0.04 -1.26 -2.90 135.00 131.92 2uua n PRO 109 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2uua n PRO 109 Cb 0.00 -1.28 0.29 0.00 -0.04 0.00 0.00 33.50 32.46 2uua n PRO 109 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2uua n ASN 110 N -0.78 4.53 0.00 3.54 4.13 -1.26 -3.38 115.26 122.03 2uua n ASN 110 Ca 0.09 -3.29 0.00 0.00 1.68 0.00 0.00 54.58 53.06 2uua n ASN 110 Cb 0.04 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.54 2uua n ASN 110 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2uua n LEU 111 N -0.34 0.13 -4.42 3.41 4.77 -1.14 -4.25 117.00 115.16 2uua n LEU 111 Ca 0.41 -0.17 -0.45 0.00 -0.03 0.00 0.00 56.01 55.78 2uua n LEU 111 Cb 1.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.44 2uua n LEU 111 CO 0.42 0.03 0.89 -0.55 -1.33 0.00 0.00 177.39 176.86 2uua s SER 112 N -0.07 6.75 0.33 -1.43 0.15 -1.22 -4.88 113.70 113.32 2uua s SER 112 Ca 0.00 -2.38 0.12 0.00 0.70 0.00 0.00 55.95 54.39 2uua s SER 112 Cb 0.00 -2.35 1.01 0.00 -1.71 0.00 0.00 66.02 62.98 2uua s SER 112 CO 0.00 -0.87 1.67 0.00 1.20 0.00 0.00 173.24 175.23 2uua h ALA 113 N 8.28 1.84 -0.69 5.45 0.00 -1.88 0.40 119.26 132.66 2uua h ALA 113 Ca 0.17 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.30 2uua h ALA 113 Cb 1.00 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2uua h ALA 113 CO 1.03 -0.53 0.45 -1.35 0.00 0.00 0.00 179.25 178.86 2uua h PRO 114 N 0.33 0.78 0.01 0.00 0.11 -1.86 -1.55 132.00 129.83 2uua h PRO 114 Ca 0.70 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.76 2uua h PRO 114 Cb 1.55 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2uua h PRO 114 CO -0.60 0.52 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.63 2uua h LEU 115 N 0.81 -0.01 -1.27 2.35 3.38 -0.58 -2.36 115.31 117.63 2uua h LEU 115 Ca 0.28 -0.80 0.34 0.00 0.09 0.00 0.00 57.88 57.78 2uua h LEU 115 Cb 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.73 2uua h LEU 115 CO -0.08 0.82 0.70 0.58 0.09 0.00 0.00 178.44 180.55 2uua h VAL 116 N -0.85 0.33 -0.03 1.22 2.07 -0.78 0.74 116.25 118.95 2uua h VAL 116 Ca -0.00 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 2uua h VAL 116 Cb 0.81 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2uua h VAL 116 CO 0.00 0.05 -0.36 0.00 0.02 0.00 0.00 177.57 177.29 2uua h ALA 117 N 1.68 0.09 -0.62 1.67 0.00 -1.31 -2.39 119.26 118.38 2uua h ALA 117 Ca 0.71 -0.47 0.10 0.00 0.00 0.00 0.00 54.91 55.24 2uua h ALA 117 Cb 1.89 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 2uua h ALA 117 CO -0.43 0.19 0.21 0.37 0.00 0.00 0.00 179.25 179.59 2uua h GLN 118 N -0.25 0.37 0.19 0.00 4.15 0.40 -0.39 115.11 119.58 2uua h GLN 118 Ca -0.04 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2uua h GLN 118 Cb 1.05 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 2uua h GLN 118 CO 0.07 0.24 -0.17 -0.09 -1.93 0.00 0.00 178.83 176.95 2uua h ARG 119 N 0.38 -0.35 -1.00 1.69 2.43 0.21 -1.70 114.38 116.05 2uua h ARG 119 Ca 0.31 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.69 2uua h ARG 119 Cb 0.41 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.94 2uua h ARG 119 CO -0.33 -0.23 0.61 0.28 -1.51 0.00 0.00 179.97 178.79 2uua h VAL 120 N -0.36 0.72 -0.18 0.20 2.07 -1.26 0.03 116.25 117.47 2uua h VAL 120 Ca -0.02 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2uua h VAL 120 Cb 0.31 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 2uua h VAL 120 CO -0.01 0.14 0.01 0.00 0.02 0.00 0.00 177.57 177.73 2uua h ALA 121 N 1.64 0.16 0.25 1.67 0.00 -0.91 -2.04 119.26 120.03 2uua h ALA 121 Ca 0.57 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2uua h ALA 121 Cb 0.86 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2uua h ALA 121 CO -0.37 -0.43 -0.52 0.93 0.00 0.00 0.00 179.25 178.86 2uua h GLU 122 N 0.07 -0.81 -0.97 0.00 5.08 -0.05 -0.46 114.58 117.44 2uua h GLU 122 Ca 0.08 0.06 0.26 0.00 -1.00 0.00 0.00 59.36 58.76 2uua h GLU 122 Cb 0.10 0.18 -0.18 0.00 0.50 0.00 0.00 28.75 29.35 2uua h GLU 122 CO -0.13 -0.54 0.03 1.96 -1.00 0.00 0.00 179.01 179.32 2uua h GLN 123 N -0.84 0.02 -0.29 2.33 4.20 -1.15 0.33 115.11 119.70 2uua h GLN 123 Ca -0.02 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2uua h GLN 123 Cb 0.80 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 2uua h GLN 123 CO -0.21 0.01 0.17 0.82 -0.67 0.00 0.00 178.83 178.95 2uua h ILE 124 N 0.02 1.11 0.00 2.54 2.04 -0.40 -1.79 117.51 121.04 2uua h ILE 124 Ca 0.58 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 66.17 2uua h ILE 124 Cb 1.18 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2uua h ILE 124 CO -0.90 0.11 0.00 -0.33 0.00 0.00 0.00 178.15 177.03 2uua h GLU 125 N 0.37 0.00 -1.48 2.37 5.08 0.83 -1.93 114.58 119.81 2uua h GLU 125 Ca 0.10 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.78 2uua h GLU 125 Cb 0.03 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 28.95 2uua h GLU 125 CO -0.02 0.00 0.41 0.54 -1.00 0.00 0.00 179.01 178.94 2uua n ARG 126 N -2.57 2.98 -3.48 2.33 1.74 -0.73 -4.91 116.66 112.02 2uua n ARG 126 Ca -0.02 -3.75 -0.26 0.00 -0.77 0.00 0.00 57.85 53.06 2uua n ARG 126 Cb 0.07 -2.27 -0.05 0.00 -1.02 0.00 0.00 32.46 29.19 2uua n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2uua n ARG 127 N -0.65 -1.23 -1.19 5.56 1.74 -0.73 -4.90 116.66 115.26 2uua n ARG 127 Ca 0.52 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 57.38 2uua n ARG 127 Cb 0.52 -3.74 0.24 0.00 -1.02 0.00 0.00 32.46 28.47 2uua n ARG 127 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2uua s PHE 128 N -2.50 0.33 -0.47 -1.55 5.36 -0.83 -4.98 117.98 113.34 2uua s PHE 128 Ca 0.50 0.37 -0.16 0.00 -0.96 0.00 0.00 56.93 56.68 2uua s PHE 128 Cb -0.29 -3.60 0.06 0.00 -0.34 0.00 0.00 43.02 38.85 2uua s PHE 128 CO 0.62 -3.89 0.43 0.00 -1.46 0.00 0.00 175.22 170.92 2uua s ALA 129 N -3.15 3.52 0.07 11.12 0.00 -1.26 -4.86 121.76 127.20 2uua s ALA 129 Ca 0.73 -1.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.51 2uua s ALA 129 Cb -0.07 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 2uua s ALA 129 CO 0.55 -1.75 1.31 0.28 0.00 0.00 0.00 175.76 176.15 2uua h VAL 130 N 5.76 0.00 -1.13 0.00 2.07 -1.95 0.58 116.25 121.57 2uua h VAL 130 Ca -0.28 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.56 2uua h VAL 130 Cb 1.11 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.77 2uua h VAL 130 CO 0.88 0.00 0.73 -0.09 0.02 0.00 0.00 177.57 179.11 2uua h ARG 131 N -0.23 0.27 0.26 1.57 9.65 -2.00 -0.41 114.38 123.50 2uua h ARG 131 Ca 0.04 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2uua h ARG 131 Cb 0.34 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2uua h ARG 131 CO -0.34 0.18 -0.13 -0.09 2.80 0.00 0.00 179.97 182.39 2uua h ARG 132 N 0.28 -0.34 -0.95 0.20 2.43 -1.64 -2.58 114.38 111.78 2uua h ARG 132 Ca 0.67 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.97 2uua h ARG 132 Cb 1.87 0.08 -0.13 0.00 -0.42 0.00 0.00 29.97 31.36 2uua h ARG 132 CO -0.33 -0.07 -0.52 0.00 -1.51 0.00 0.00 179.97 177.53 2uua h ALA 133 N -0.78 -0.34 0.03 2.80 0.00 0.61 0.30 119.26 121.88 2uua h ALA 133 Ca -0.04 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2uua h ALA 133 Cb 0.42 1.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 2uua h ALA 133 CO 0.06 -0.86 -0.29 0.82 0.00 0.00 0.00 179.25 178.98 2uua h ILE 134 N -0.03 0.37 -0.91 0.00 2.04 -1.30 0.18 117.51 117.87 2uua h ILE 134 Ca 0.21 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.15 2uua h ILE 134 Cb 0.48 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 2uua h ILE 134 CO -0.93 0.00 0.56 0.50 0.00 0.00 0.00 178.15 178.28 2uua h LYS 135 N -0.45 0.94 0.67 2.37 3.64 -0.70 -0.15 116.57 122.89 2uua h LYS 135 Ca 0.05 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2uua h LYS 135 Cb 0.52 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2uua h LYS 135 CO -0.23 0.62 -0.32 1.96 -2.27 0.00 0.00 179.45 179.21 2uua h GLN 136 N 0.97 -0.87 -0.55 1.90 4.20 0.05 -2.75 115.11 118.07 2uua h GLN 136 Ca 0.42 0.06 0.11 0.00 0.06 0.00 0.00 58.65 59.29 2uua h GLN 136 Cb 0.28 0.20 -0.11 0.00 0.30 0.00 0.00 27.48 28.15 2uua h GLN 136 CO -0.21 -0.57 -0.27 0.00 -0.67 0.00 0.00 178.83 177.11 2uua h ALA 137 N -1.18 0.08 -1.00 3.87 0.00 -0.43 0.61 119.26 121.22 2uua h ALA 137 Ca -0.09 0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.18 2uua h ALA 137 Cb 0.70 0.65 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 2uua h ALA 137 CO 0.15 -0.60 0.61 0.28 0.00 0.00 0.00 179.25 179.70 2uua h VAL 138 N -0.13 0.72 0.70 0.00 2.07 -1.08 0.11 116.25 118.65 2uua h VAL 138 Ca 0.24 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2uua h VAL 138 Cb 0.52 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2uua h VAL 138 CO -0.63 0.14 -0.33 -0.61 0.02 0.00 0.00 177.57 176.15 2uua h GLN 139 N 0.76 -0.90 -0.69 1.57 5.75 0.38 -0.74 115.11 121.23 2uua h GLN 139 Ca 0.56 0.06 0.10 0.00 -0.15 0.00 0.00 58.65 59.23 2uua h GLN 139 Cb 0.89 0.20 -0.12 0.00 1.07 0.00 0.00 27.48 29.53 2uua h GLN 139 CO -0.35 -0.57 -0.43 0.00 -2.65 0.00 0.00 178.83 174.82 2uua h ARG 140 N -1.15 -0.15 -0.35 1.69 3.08 0.57 0.94 114.38 119.01 2uua h ARG 140 Ca -0.10 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2uua h ARG 140 Cb 0.74 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 2uua h ARG 140 CO 0.16 -0.10 0.23 0.28 -1.07 0.00 0.00 179.97 179.46 2uua h VAL 141 N -0.16 1.09 0.00 2.04 2.07 -0.84 0.14 116.25 120.59 2uua h VAL 141 Ca 0.21 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 2uua h VAL 141 Cb 0.55 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2uua h VAL 141 CO -0.76 0.09 -0.19 0.24 0.02 0.00 0.00 177.57 176.96 2uua h MET 142 N 0.48 0.00 -0.04 1.57 2.86 0.11 -3.23 114.93 116.68 2uua h MET 142 Ca 0.13 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 2uua h MET 142 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2uua h MET 142 CO -0.03 0.19 -0.15 1.49 1.06 0.00 0.00 176.91 179.48 2uua h GLU 143 N 0.00 0.17 -1.57 1.72 4.57 0.33 -3.25 114.58 116.56 2uua h GLU 143 Ca -0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2uua h GLU 143 Cb 1.01 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2uua h GLU 143 CO 0.02 0.76 0.00 0.43 -1.18 0.00 0.00 179.01 179.05 2uua n SER 144 N -4.61 1.71 0.00 1.04 7.64 -0.13 -4.77 113.62 114.50 2uua n SER 144 Ca -0.08 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.67 2uua n SER 144 Cb 0.40 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2uua n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2uua n GLY 145 N 0.90 0.71 3.62 0.23 0.00 -1.22 -4.92 105.19 104.49 2uua n GLY 145 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2uua n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua n ALA 146 N 1.00 -1.27 1.18 4.61 0.00 -1.22 -4.94 120.51 119.87 2uua n ALA 146 Ca 0.00 -0.65 0.12 0.00 0.00 0.00 0.00 53.44 52.92 2uua n ALA 146 Cb 0.02 -2.13 0.25 0.00 0.00 0.00 0.00 19.45 17.59 2uua n ALA 146 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2uua n LYS 147 N -4.09 1.35 0.00 0.00 5.02 0.12 -4.92 118.16 115.63 2uua n LYS 147 Ca 0.10 -0.97 0.00 0.00 -2.02 0.00 0.00 58.31 55.43 2uua n LYS 147 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2uua n LYS 147 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uua n GLY 148 N 1.33 1.54 3.50 0.72 0.00 -0.93 -1.90 105.19 109.46 2uua n GLY 148 Ca 0.13 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2uua n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua s ALA 149 N -2.00 -1.78 -0.16 4.61 0.00 0.15 -0.59 121.76 121.98 2uua s ALA 149 Ca 0.00 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.75 2uua s ALA 149 Cb 0.00 0.30 0.06 0.00 0.00 0.00 0.00 23.12 23.48 2uua s ALA 149 CO 0.00 -0.61 0.59 0.21 0.00 0.00 0.00 175.76 175.95 2uua s LYS 150 N -2.72 0.78 0.03 0.00 2.20 -0.26 0.43 119.74 120.21 2uua s LYS 150 Ca 0.01 0.60 0.05 0.00 -0.36 0.00 0.00 55.97 56.27 2uua s LYS 150 Cb -0.01 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 2uua s LYS 150 CO -0.06 -0.15 -0.13 0.08 -0.36 0.00 0.00 175.35 174.73 2uua s VAL 151 N -0.20 1.05 -0.18 4.02 1.01 0.10 -0.59 120.40 125.61 2uua s VAL 151 Ca -0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 2uua s VAL 151 Cb -0.03 -0.95 0.06 0.00 0.00 0.00 0.00 36.38 35.46 2uua s VAL 151 CO 0.03 0.02 0.10 -0.63 0.00 0.00 0.00 175.10 174.62 2uua s ILE 152 N -0.79 -0.10 0.06 2.22 1.01 -0.46 -1.83 121.20 121.31 2uua s ILE 152 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2uua s ILE 152 Cb -0.07 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2uua s ILE 152 CO 0.01 -0.29 0.14 -0.69 0.00 0.00 0.00 174.94 174.11 2uua s VAL 153 N 2.15 4.97 -0.28 2.92 1.01 -0.56 -1.25 120.40 129.36 2uua s VAL 153 Ca 0.03 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2uua s VAL 153 Cb -0.16 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 32.91 2uua s VAL 153 CO -0.10 0.15 0.73 -0.94 0.00 0.00 0.00 175.10 174.94 2uua s SER 154 N -2.40 -0.86 0.00 3.32 1.04 -0.49 -1.40 113.70 112.91 2uua s SER 154 Ca 0.32 1.42 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2uua s SER 154 Cb -0.13 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.37 2uua s SER 154 CO 0.24 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2uua n GLY 155 N 3.94 -0.08 2.47 7.32 0.00 -0.37 -0.83 105.19 117.65 2uua n GLY 155 Ca -0.19 -1.21 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 2uua n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uua n ARG 156 N 0.00 2.22 -1.43 1.61 1.74 -1.26 -1.69 116.66 117.84 2uua n ARG 156 Ca 0.00 -1.43 -0.53 0.00 -0.77 0.00 0.00 57.85 55.13 2uua n ARG 156 Cb 0.00 -2.39 -0.05 0.00 -1.02 0.00 0.00 32.46 29.00 2uua n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2uua n ILE 157 N 3.79 1.00 -2.48 0.55 5.41 -1.26 0.10 119.36 126.47 2uua n ILE 157 Ca 0.47 -0.25 -0.18 0.00 1.00 0.00 0.00 62.75 63.79 2uua n ILE 157 Cb 0.24 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.17 2uua n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2uua n GLY 158 N 1.73 -0.50 2.75 7.39 0.00 -1.26 -0.70 105.19 114.59 2uua n GLY 158 Ca 0.19 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 2uua n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 159 N -0.99 0.47 3.30 -0.02 0.00 0.12 -4.95 105.19 103.13 2uua n GLY 159 Ca -0.20 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2uua n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua n ALA 160 N 1.08 -3.68 -0.10 4.61 0.00 0.12 -4.97 120.51 117.57 2uua n ALA 160 Ca -0.04 -1.32 -0.14 0.00 0.00 0.00 0.00 53.44 51.94 2uua n ALA 160 Cb 0.45 -1.61 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 2uua n ALA 160 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2uua n GLU 161 N -3.27 0.68 -3.13 0.00 2.13 -1.26 -4.76 120.64 111.02 2uua n GLU 161 Ca 0.02 0.09 -0.44 0.00 0.66 0.00 0.00 57.16 57.50 2uua n GLU 161 Cb 0.58 -1.56 -0.06 0.00 0.27 0.00 0.00 31.44 30.67 2uua n GLU 161 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2uua s GLN 162 N -2.52 3.09 0.39 5.31 2.00 -1.26 -5.01 119.66 121.67 2uua s GLN 162 Ca -0.19 -1.04 -0.26 0.00 -2.00 0.00 0.00 55.36 51.86 2uua s GLN 162 Cb 0.07 -4.16 -0.11 0.00 0.80 0.00 0.00 33.01 29.61 2uua s GLN 162 CO 0.74 -1.35 1.11 0.00 -0.50 0.00 0.00 175.29 175.28 2uua n ALA 163 N 6.27 0.52 -2.63 1.58 0.00 -1.26 -4.80 120.51 120.20 2uua n ALA 163 Ca -0.08 0.28 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 2uua n ALA 163 Cb 0.44 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 2uua n ALA 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2uua s ARG 164 N -1.96 1.83 -0.12 0.00 0.52 -0.68 -4.94 118.95 113.59 2uua s ARG 164 Ca 0.61 -1.86 -0.03 0.00 -0.52 0.00 0.00 55.73 53.93 2uua s ARG 164 Cb -0.57 0.39 0.04 0.00 0.52 0.00 0.00 34.95 35.33 2uua s ARG 164 CO 0.58 -0.72 0.04 0.99 0.02 0.00 0.00 175.30 176.21 2uua s THR 165 N -3.24 0.20 0.06 0.02 2.01 -1.26 -1.24 115.64 112.19 2uua s THR 165 Ca 0.35 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.36 2uua s THR 165 Cb 0.01 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 2uua s THR 165 CO 0.23 0.01 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.52 2uua s GLU 166 N 2.03 2.48 0.15 4.92 0.41 -0.49 -5.00 118.70 123.20 2uua s GLU 166 Ca 0.03 -0.82 -0.20 0.00 -0.41 0.00 0.00 54.97 53.57 2uua s GLU 166 Cb -0.14 -2.49 0.05 0.00 -1.78 0.00 0.00 34.13 29.77 2uua s GLU 166 CO -0.06 0.56 0.53 1.67 -0.49 0.00 0.00 175.26 177.46 2uua s TRP 167 N -1.18 -0.39 0.01 1.61 1.48 -1.26 -1.49 118.94 117.72 2uua s TRP 167 Ca 0.22 0.13 -0.06 0.00 -1.06 0.00 0.00 56.10 55.33 2uua s TRP 167 Cb -0.11 0.44 -0.00 0.00 -1.16 0.00 0.00 33.47 32.64 2uua s TRP 167 CO 0.14 -0.81 0.10 0.00 -4.06 0.00 0.00 176.95 172.32 2uua s ALA 168 N -3.78 -0.22 -0.06 2.67 0.00 -0.76 -5.01 121.76 114.60 2uua s ALA 168 Ca 0.02 -0.25 -0.27 0.00 0.00 0.00 0.00 51.96 51.46 2uua s ALA 168 Cb -0.00 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.31 2uua s ALA 168 CO -0.12 -0.20 0.61 0.00 0.00 0.00 0.00 175.76 176.05 2uua s ALA 169 N -1.45 -1.58 0.07 0.00 0.00 -1.26 -0.72 121.76 116.82 2uua s ALA 169 Ca -0.15 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 2uua s ALA 169 Cb -0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2uua s ALA 169 CO 0.01 -0.34 -0.02 -0.65 0.00 0.00 0.00 175.76 174.75 2uua s GLN 170 N -1.08 0.69 6.39 0.00 -0.21 0.17 -4.98 119.66 120.65 2uua s GLN 170 Ca -0.10 -1.27 0.00 0.00 0.02 0.00 0.00 55.36 54.00 2uua s GLN 170 Cb -0.01 0.15 0.00 0.00 1.00 0.00 0.00 33.01 34.15 2uua s GLN 170 CO 0.08 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.54 2uua n GLY 171 N 0.05 3.02 3.52 3.09 0.00 -1.26 0.30 105.19 113.91 2uua n GLY 171 Ca -0.12 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2uua n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uua s ARG 172 N 0.00 1.92 -0.43 1.61 0.52 -0.80 -4.82 118.95 116.95 2uua s ARG 172 Ca 0.00 -1.11 0.08 0.00 -0.52 0.00 0.00 55.73 54.17 2uua s ARG 172 Cb 0.00 -2.18 0.29 0.00 0.52 0.00 0.00 34.95 33.58 2uua s ARG 172 CO 0.00 0.49 0.85 0.28 0.02 0.00 0.00 175.30 176.94 2uua n VAL 173 N 0.81 -0.18 -0.84 3.52 0.31 -1.26 -3.55 118.33 117.14 2uua n VAL 173 Ca -0.15 -2.71 -0.41 0.00 -0.01 0.00 0.00 64.34 61.06 2uua n VAL 173 Cb 0.52 0.39 -0.08 0.00 -0.91 0.00 0.00 33.84 33.77 2uua n VAL 173 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2uua n PRO 174 N 0.91 0.89 -0.17 5.55 -0.04 -1.26 -4.72 135.00 136.17 2uua n PRO 174 Ca 0.14 -1.45 0.29 0.00 -0.04 0.00 0.00 63.50 62.44 2uua n PRO 174 Cb 0.64 -2.70 0.62 0.00 -0.04 0.00 0.00 33.50 32.02 2uua n PRO 174 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2uua h LEU 175 N 15.02 0.00 0.00 1.53 7.12 -1.97 0.29 115.31 137.29 2uua h LEU 175 Ca 0.35 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 58.25 2uua h LEU 175 Cb 0.63 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.74 2uua h LEU 175 CO 1.94 0.00 -0.91 0.45 -0.13 0.00 0.00 178.44 179.79 2uua h HIS 176 N 0.00 0.00 -3.00 1.25 3.86 -2.00 -3.46 115.15 111.80 2uua h HIS 176 Ca 0.44 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 59.08 2uua h HIS 176 Cb 2.29 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 30.72 2uua h HIS 176 CO 0.00 0.44 0.92 0.99 0.86 0.00 0.00 177.93 181.14 2uua s THR 177 N -3.01 4.26 0.02 2.45 2.01 0.10 -4.94 115.64 116.53 2uua s THR 177 Ca 0.01 1.49 -0.25 0.00 0.31 0.00 0.00 61.69 63.25 2uua s THR 177 Cb 0.08 -4.07 -0.18 0.00 0.01 0.00 0.00 72.50 68.34 2uua s THR 177 CO 0.77 -0.25 1.44 -0.07 -0.69 0.00 0.00 174.62 175.82 2uua h LEU 178 N 10.10 -0.04 0.00 4.42 -0.00 -1.88 -3.00 115.31 124.91 2uua h LEU 178 Ca -0.26 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 2uua h LEU 178 Cb 1.10 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2uua h LEU 178 CO 0.99 0.26 0.00 -2.11 -0.00 0.00 0.00 178.44 177.58 2uua n ARG 179 N -4.97 0.12 -3.12 1.13 1.85 -1.26 -4.50 116.66 105.91 2uua n ARG 179 Ca -0.08 0.02 -0.43 0.00 -1.00 0.00 0.00 57.85 56.36 2uua n ARG 179 Cb 0.17 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.02 2uua n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2uua s ALA 180 N -2.05 3.36 -0.27 2.89 0.00 -1.13 -3.35 121.76 121.20 2uua s ALA 180 Ca 0.06 -1.57 -0.29 0.00 0.00 0.00 0.00 51.96 50.16 2uua s ALA 180 Cb 0.03 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2uua s ALA 180 CO 0.05 -1.99 1.67 1.21 0.00 0.00 0.00 175.76 176.70 2uua s ASN 181 N 2.53 6.20 -0.11 0.00 2.47 0.13 -4.95 114.94 121.21 2uua s ASN 181 Ca 0.18 1.47 0.00 0.00 0.42 0.00 0.00 52.86 54.93 2uua s ASN 181 Cb -0.17 -2.53 0.02 0.00 -1.45 0.00 0.00 41.25 37.12 2uua s ASN 181 CO 0.14 -1.43 -0.10 -0.63 -3.72 0.00 0.00 177.10 171.37 2uua s ILE 182 N 5.80 1.15 0.30 -5.21 1.01 -1.26 -2.09 121.20 120.90 2uua s ILE 182 Ca 0.74 -0.39 -0.21 0.00 0.00 0.00 0.00 60.65 60.79 2uua s ILE 182 Cb -0.23 -1.13 -0.09 0.00 0.01 0.00 0.00 42.46 41.02 2uua s ILE 182 CO 0.31 0.38 0.83 -0.62 0.00 0.00 0.00 174.94 175.84 2uua s ASP 183 N 1.47 7.09 0.02 3.58 3.68 -0.38 -4.85 116.67 127.28 2uua s ASP 183 Ca 0.01 1.57 0.05 0.00 2.13 0.00 0.00 52.55 56.31 2uua s ASP 183 Cb -0.13 -2.48 -0.02 0.00 -1.45 0.00 0.00 42.92 38.84 2uua s ASP 183 CO -0.06 -0.09 -0.15 -0.47 0.13 0.00 0.00 175.17 174.53 2uua s TYR 184 N -1.71 1.33 -0.18 -5.34 5.04 -1.26 -1.64 117.35 113.59 2uua s TYR 184 Ca 0.49 -0.32 -0.12 0.00 -2.44 0.00 0.00 57.07 54.68 2uua s TYR 184 Cb -0.15 -0.81 0.06 0.00 0.35 0.00 0.00 41.96 41.40 2uua s TYR 184 CO 0.20 0.03 0.46 0.20 -1.34 0.00 0.00 175.55 175.10 2uua s GLY 185 N -0.89 -0.37 0.14 8.97 0.00 -0.54 -4.29 107.32 110.34 2uua s GLY 185 Ca 0.04 1.56 0.07 0.00 0.00 0.00 0.00 44.72 46.39 2uua s GLY 185 CO 0.01 1.58 -0.02 -0.12 0.00 0.00 0.00 173.10 174.55 2uua s PHE 186 N 1.05 2.85 -0.07 1.90 5.36 -1.26 -0.46 117.98 127.34 2uua s PHE 186 Ca -0.06 -0.12 -0.05 0.00 -0.96 0.00 0.00 56.93 55.73 2uua s PHE 186 Cb -0.06 -1.42 0.03 0.00 -0.34 0.00 0.00 43.02 41.22 2uua s PHE 186 CO -0.09 0.49 0.18 0.00 -1.46 0.00 0.00 175.22 174.34 2uua s ALA 187 N -1.54 -0.42 -0.25 11.12 0.00 0.12 -4.71 121.76 126.08 2uua s ALA 187 Ca 0.26 0.62 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 2uua s ALA 187 Cb -0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2uua s ALA 187 CO 0.18 -0.12 0.06 -1.17 0.00 0.00 0.00 175.76 174.71 2uua s LEU 188 N 0.51 3.43 -0.51 0.00 1.98 -1.26 -0.57 118.68 122.25 2uua s LEU 188 Ca -0.03 -0.24 -0.14 0.00 -2.89 0.00 0.00 54.13 50.82 2uua s LEU 188 Cb -0.05 -1.91 0.11 0.00 0.66 0.00 0.00 46.19 45.00 2uua s LEU 188 CO -0.03 -0.04 0.44 0.00 -1.89 0.00 0.00 176.35 174.83 2uua s ALA 189 N 1.60 3.57 0.17 5.97 0.00 -0.39 -4.96 121.76 127.71 2uua s ALA 189 Ca 0.06 -2.42 -0.30 0.00 0.00 0.00 0.00 51.96 49.31 2uua s ALA 189 Cb -0.15 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 2uua s ALA 189 CO 0.03 -1.91 0.99 1.03 0.00 0.00 0.00 175.76 175.90 2uua s ARG 190 N 1.56 4.72 0.23 0.00 0.52 -1.26 -1.76 118.95 122.96 2uua s ARG 190 Ca 0.04 1.53 -0.00 0.00 -0.52 0.00 0.00 55.73 56.77 2uua s ARG 190 Cb -0.28 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 2uua s ARG 190 CO 0.03 0.27 0.19 0.95 0.02 0.00 0.00 175.30 176.77 2uua s THR 191 N -0.43 0.00 0.58 0.02 -4.23 -1.15 -4.77 115.64 105.66 2uua s THR 191 Ca 0.46 -1.95 0.27 0.00 -1.18 0.00 0.00 61.69 59.29 2uua s THR 191 Cb -0.26 -2.48 0.36 0.00 1.34 0.00 0.00 72.50 71.46 2uua s THR 191 CO 0.32 0.00 2.08 0.74 -0.54 0.00 0.00 174.62 177.21 2uua h THR 192 N 2.50 0.54 0.00 3.99 2.02 -1.96 -1.87 112.91 118.12 2uua h THR 192 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2uua h THR 192 Cb 1.25 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2uua h THR 192 CO 0.48 0.00 -0.99 0.00 0.37 0.00 0.00 175.52 175.39 2uua n TYR 193 N -3.94 0.00 0.00 3.16 0.18 -1.26 -5.10 117.16 110.20 2uua n TYR 193 Ca 0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.81 2uua n TYR 193 Cb 0.37 -0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 2uua n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2uua n GLY 194 N 1.43 2.41 3.76 -7.48 0.00 -0.71 -5.06 105.19 99.54 2uua n GLY 194 Ca 0.01 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 2uua n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uua s VAL 195 N -1.70 2.51 -0.02 1.61 1.01 -1.26 -2.92 120.40 119.63 2uua s VAL 195 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.40 2uua s VAL 195 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2uua s VAL 195 CO 0.00 0.01 -0.07 -0.76 0.00 0.00 0.00 175.10 174.28 2uua s LEU 196 N -3.08 1.85 -0.12 3.92 2.01 -0.73 -4.40 118.68 118.14 2uua s LEU 196 Ca 0.65 -0.14 -0.06 0.00 0.01 0.00 0.00 54.13 54.59 2uua s LEU 196 Cb -0.36 -0.43 -0.04 0.00 0.01 0.00 0.00 46.19 45.37 2uua s LEU 196 CO 0.45 0.06 0.09 -0.83 1.01 0.00 0.00 176.35 177.13 2uua s GLY 197 N 0.09 2.04 -0.14 -3.19 0.00 -0.01 -1.26 107.32 104.84 2uua s GLY 197 Ca -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.02 2uua s GLY 197 CO -0.00 -0.38 -0.16 0.14 0.00 0.00 0.00 173.10 172.70 2uua s VAL 198 N -0.82 1.64 0.13 1.40 1.01 0.26 -1.39 120.40 122.63 2uua s VAL 198 Ca 0.13 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.50 2uua s VAL 198 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2uua s VAL 198 CO 0.03 0.47 -0.16 -0.54 0.00 0.00 0.00 175.10 174.90 2uua s LYS 199 N 1.22 1.84 -0.01 2.72 1.02 -0.38 0.12 119.74 126.27 2uua s LYS 199 Ca -0.00 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.79 2uua s LYS 199 Cb -0.14 -2.12 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 2uua s LYS 199 CO -0.07 0.47 0.01 0.00 -0.92 0.00 0.00 175.35 174.84 2uua s ALA 200 N -1.27 0.05 -0.01 5.17 0.00 0.39 -1.36 121.76 124.73 2uua s ALA 200 Ca 0.19 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.27 2uua s ALA 200 Cb -0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 2uua s ALA 200 CO 0.11 -0.03 -0.10 0.71 0.00 0.00 0.00 175.76 176.45 2uua s TYR 201 N 0.32 0.99 -0.16 0.00 1.51 0.24 -1.47 117.35 118.78 2uua s TYR 201 Ca -0.03 -0.21 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 2uua s TYR 201 Cb -0.04 -0.65 0.06 0.00 -0.11 0.00 0.00 41.96 41.21 2uua s TYR 201 CO -0.01 -0.04 0.08 0.42 -1.11 0.00 0.00 175.55 174.88 2uua s ILE 202 N -0.12 0.01 -0.28 2.71 1.01 -0.65 -1.10 121.20 122.78 2uua s ILE 202 Ca 0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 2uua s ILE 202 Cb -0.06 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 2uua s ILE 202 CO -0.00 -0.20 0.75 0.12 0.00 0.00 0.00 174.94 175.61 2uua s PHE 203 N 2.10 3.25 -0.36 3.97 5.36 0.24 -1.25 117.98 131.29 2uua s PHE 203 Ca 0.02 0.89 0.14 0.00 -0.96 0.00 0.00 56.93 57.02 2uua s PHE 203 Cb -0.16 -3.07 0.43 0.00 -0.34 0.00 0.00 43.02 39.88 2uua s PHE 203 CO -0.08 -0.46 0.93 1.47 -1.46 0.00 0.00 175.22 175.62 2uua n LEU 204 N 6.01 1.99 0.00 6.12 -0.00 -0.89 0.12 117.00 130.35 2uua n LEU 204 Ca 0.03 -4.29 0.00 0.00 -0.00 0.00 0.00 56.01 51.74 2uua n LEU 204 Cb 0.48 0.30 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 2uua n LEU 204 CO 0.47 1.85 0.00 0.61 -0.00 0.00 0.00 177.39 180.32 2uua n GLY 205 N -0.07 4.26 0.00 1.47 0.00 -1.26 -4.87 105.19 104.73 2uua n GLY 205 Ca 0.18 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2uua n GLY 205 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2uua n GLU 206 N -1.11 3.25 0.00 1.61 -0.58 -1.26 -0.69 120.64 121.86 2uua n GLU 206 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2uua n GLU 206 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2uua n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2uua n VAL 207 N 0.00 0.00 0.00 2.62 0.31 -1.21 -4.75 118.33 115.30 2uua n VAL 207 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2uua n VAL 207 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2uua n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51