#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3f s ALA 2 N 0.00 2.08 0.26 0.00 0.00 -1.26 -4.81 121.76 118.04 3h3f s ALA 2 Ca 0.00 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 3h3f s ALA 2 Cb 0.00 -3.45 0.39 0.00 0.00 0.00 0.00 23.12 20.06 3h3f s ALA 2 CO 0.00 -1.92 1.55 -0.11 0.00 0.00 0.00 175.76 175.29 3h3f n LEU 3 N -2.87 -0.45 -0.31 0.00 7.94 -1.26 -1.87 117.00 118.17 3h3f n LEU 3 Ca 0.13 1.72 0.11 0.00 -1.11 0.00 0.00 56.01 56.86 3h3f n LEU 3 Cb 0.51 -0.48 0.33 0.00 0.53 0.00 0.00 43.42 44.30 3h3f n LEU 3 CO 0.48 -1.62 1.22 0.50 -1.11 0.00 0.00 177.39 176.86 3h3f h LYS 4 N 0.00 0.77 -0.00 1.96 3.64 -1.96 0.34 116.57 121.32 3h3f h LYS 4 Ca 0.44 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 3h3f h LYS 4 Cb 0.69 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3h3f h LYS 4 CO -1.02 0.51 -0.37 -0.25 -2.27 0.00 0.00 179.45 176.06 3h3f n ASP 5 N -4.61 0.41 0.10 4.20 10.43 -0.78 -0.42 116.55 125.88 3h3f n ASP 5 Ca 0.19 -0.12 -0.04 0.00 2.57 0.00 0.00 54.79 57.39 3h3f n ASP 5 Cb 0.45 0.07 0.04 0.00 1.84 0.00 0.00 41.12 43.52 3h3f n ASP 5 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 3h3f h GLN 6 N 0.06 0.02 0.09 -1.24 4.20 -0.36 -3.38 115.11 114.51 3h3f h GLN 6 Ca 0.00 -0.02 -0.37 0.00 0.06 0.00 0.00 58.65 58.32 3h3f h GLN 6 Cb 0.50 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3h3f h GLN 6 CO 0.00 0.80 -2.10 -0.11 -0.67 0.00 0.00 178.83 176.75 3h3f n LEU 7 N -3.62 2.69 -4.32 1.46 7.94 -0.53 -4.89 117.00 115.73 3h3f n LEU 7 Ca -0.01 0.13 -0.33 0.00 -1.11 0.00 0.00 56.01 54.69 3h3f n LEU 7 Cb 0.76 -1.06 -0.15 0.00 0.53 0.00 0.00 43.42 43.50 3h3f n LEU 7 CO 0.45 0.85 -0.44 -0.63 -1.11 0.00 0.00 177.39 176.50 3h3f s ILE 8 N -2.54 2.98 -0.21 1.96 1.01 0.44 -5.07 121.20 119.77 3h3f s ILE 8 Ca -0.26 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 3h3f s ILE 8 Cb 0.07 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3h3f s ILE 8 CO 0.72 0.50 0.38 -2.28 0.00 0.00 0.00 174.94 174.25 3h3f s HIS 9 N 0.79 3.36 0.08 3.97 5.65 -1.26 -4.42 115.29 123.45 3h3f s HIS 9 Ca -0.04 0.57 -0.10 0.00 0.25 0.00 0.00 55.06 55.73 3h3f s HIS 9 Cb -0.15 -2.51 -0.06 0.00 -1.18 0.00 0.00 32.58 28.68 3h3f s HIS 9 CO 0.01 -0.02 0.41 1.21 -0.65 0.00 0.00 174.74 175.71 3h3f s ASN 10 N 1.07 6.67 0.00 9.88 3.84 -1.26 -4.96 114.94 130.18 3h3f s ASN 10 Ca 0.18 0.82 0.00 0.00 0.21 0.00 0.00 52.86 54.07 3h3f s ASN 10 Cb -0.15 -2.19 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 3h3f s ASN 10 CO 0.08 0.18 0.00 0.18 -2.79 0.00 0.00 177.10 174.75 3h3f n LEU 11 N 0.97 0.00 -3.61 3.21 4.32 -1.26 -5.02 117.00 115.61 3h3f n LEU 11 Ca -0.08 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.68 3h3f n LEU 11 Cb 0.52 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 42.16 3h3f n LEU 11 CO 0.42 0.00 -0.31 -0.22 -1.22 0.00 0.00 177.39 176.06 3h3f s LEU 12 N -2.88 0.21 -0.33 2.23 2.96 -1.26 -5.09 118.68 114.52 3h3f s LEU 12 Ca 0.00 -0.35 -0.28 0.00 -0.22 0.00 0.00 54.13 53.28 3h3f s LEU 12 Cb 0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 3h3f s LEU 12 CO 0.00 -0.32 2.10 -0.54 -1.32 0.00 0.00 176.35 176.27 3h3f s LYS 13 N 2.18 2.97 -1.23 1.98 -0.14 -1.26 -4.92 119.74 119.32 3h3f s LYS 13 Ca 0.03 1.63 -0.11 0.00 -1.36 0.00 0.00 55.97 56.16 3h3f s LYS 13 Cb -0.15 -4.36 0.18 0.00 -1.68 0.00 0.00 37.83 31.82 3h3f s LYS 13 CO -0.08 -2.28 1.63 0.39 -0.76 0.00 0.00 175.35 174.24 3h3f n GLU 14 N 8.74 3.54 -1.56 1.68 4.71 -1.26 -4.96 120.64 131.53 3h3f n GLU 14 Ca 0.28 -3.76 -0.29 0.00 -0.01 0.00 0.00 57.16 53.38 3h3f n GLU 14 Cb 0.48 -2.95 -0.04 0.00 -1.01 0.00 0.00 31.44 27.92 3h3f n GLU 14 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 3h3f s GLU 15 N 0.73 1.93 -0.33 3.49 -1.05 -1.26 -4.83 118.70 117.37 3h3f s GLU 15 Ca 0.40 1.11 -0.26 0.00 -0.15 0.00 0.00 54.97 56.08 3h3f s GLU 15 Cb 0.03 -4.65 0.01 0.00 -0.44 0.00 0.00 34.13 29.08 3h3f s GLU 15 CO 0.01 -3.67 0.93 -1.58 0.95 0.00 0.00 175.26 171.90 3h3f s HIS 16 N 13.09 3.15 0.00 4.83 5.65 -1.26 -5.04 115.29 135.71 3h3f s HIS 16 Ca 0.96 0.94 0.07 0.00 0.25 0.00 0.00 55.06 57.29 3h3f s HIS 16 Cb -0.16 -3.51 -0.03 0.00 -1.18 0.00 0.00 32.58 27.71 3h3f s HIS 16 CO 0.20 -0.71 -0.23 0.08 -0.65 0.00 0.00 174.74 173.43 3h3f s VAL 17 N 3.35 2.36 0.04 0.89 1.01 -1.26 -5.14 120.40 121.64 3h3f s VAL 17 Ca 0.39 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3h3f s VAL 17 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3h3f s VAL 17 CO 0.15 0.49 0.20 -2.16 0.00 0.00 0.00 175.10 173.78 3h3f s PRO 18 N -0.92 3.42 -0.06 2.72 0.05 -1.26 -5.03 135.00 133.92 3h3f s PRO 18 Ca 0.11 -0.41 0.14 0.00 0.05 0.00 0.00 61.00 60.89 3h3f s PRO 18 Cb -0.10 -3.05 -0.21 0.00 0.05 0.00 0.00 34.50 31.19 3h3f s PRO 18 CO 0.01 0.63 0.23 1.04 0.05 0.00 0.00 177.00 178.96 3h3f n GLN 19 N 0.49 0.89 -2.96 4.56 1.13 -1.26 -4.74 117.38 115.49 3h3f n GLN 19 Ca -0.07 -0.09 -0.20 0.00 -1.94 0.00 0.00 57.00 54.70 3h3f n GLN 19 Cb 0.51 -1.35 -0.02 0.00 0.11 0.00 0.00 30.24 29.49 3h3f n GLN 19 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3h3f n ASN 20 N -2.18 2.40 -4.86 1.08 3.02 -1.26 -4.90 115.26 108.55 3h3f n ASN 20 Ca -0.09 -3.24 -0.37 0.00 -0.03 0.00 0.00 54.58 50.85 3h3f n ASN 20 Cb 0.57 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3h3f n ASN 20 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3h3f s LYS 21 N -2.96 3.68 0.05 3.52 2.20 -1.26 -0.46 119.74 124.50 3h3f s LYS 21 Ca 0.41 0.11 0.06 0.00 -0.36 0.00 0.00 55.97 56.19 3h3f s LYS 21 Cb 0.35 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.49 3h3f s LYS 21 CO -0.09 0.70 -0.16 0.42 -0.36 0.00 0.00 175.35 175.85 3h3f s ILE 22 N -1.15 1.30 0.01 5.43 1.01 -0.95 -0.95 121.20 125.91 3h3f s ILE 22 Ca 0.23 -1.12 0.07 0.00 0.00 0.00 0.00 60.65 59.83 3h3f s ILE 22 Cb -0.14 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3h3f s ILE 22 CO 0.12 0.03 -0.21 -0.89 0.00 0.00 0.00 174.94 173.99 3h3f s THR 23 N -0.89 1.66 -0.11 2.92 2.01 0.09 -1.73 115.64 119.57 3h3f s THR 23 Ca 0.03 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.03 3h3f s THR 23 Cb -0.08 -1.41 -0.00 0.00 0.01 0.00 0.00 72.50 71.02 3h3f s THR 23 CO 0.02 0.35 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.40 3h3f s VAL 24 N -0.63 2.34 -0.25 3.82 1.01 0.50 -1.70 120.40 125.49 3h3f s VAL 24 Ca 0.08 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 3h3f s VAL 24 Cb -0.08 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3h3f s VAL 24 CO 0.00 0.55 0.06 -0.69 0.00 0.00 0.00 175.10 175.03 3h3f s VAL 25 N 0.40 4.22 0.00 2.92 1.01 -0.24 -2.17 120.40 126.53 3h3f s VAL 25 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3h3f s VAL 25 Cb -0.17 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3h3f s VAL 25 CO 0.07 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3h3f n GLY 26 N 4.91 0.94 2.02 4.51 0.00 0.23 -0.32 105.19 117.48 3h3f n GLY 26 Ca -0.16 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 3h3f n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h3f n VAL 27 N 2.85 2.71 -0.61 1.61 0.24 -1.26 -4.09 118.33 119.78 3h3f n VAL 27 Ca 0.00 -3.94 0.00 0.00 -2.04 0.00 0.00 64.34 58.36 3h3f n VAL 27 Cb 0.00 -1.10 0.00 0.00 -1.47 0.00 0.00 33.84 31.27 3h3f n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h3f n GLY 28 N -0.77 -0.92 0.37 7.63 0.00 -1.26 -4.64 105.19 105.61 3h3f n GLY 28 Ca 0.46 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.92 3h3f n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3f h ALA 29 N -1.97 1.73 0.00 4.61 0.00 -1.94 -1.97 119.26 119.72 3h3f h ALA 29 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h3f h ALA 29 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3h3f h ALA 29 CO 0.00 0.06 -0.03 0.28 0.00 0.00 0.00 179.25 179.56 3h3f h VAL 30 N 0.79 1.53 0.00 0.00 2.07 -1.88 -2.79 116.25 115.97 3h3f h VAL 30 Ca 0.43 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 3h3f h VAL 30 Cb 0.56 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 33.23 3h3f h VAL 30 CO -0.19 0.52 -0.14 1.23 0.02 0.00 0.00 177.57 179.01 3h3f h GLY 31 N -1.00 0.00 2.00 2.17 0.00 -1.69 -2.87 103.07 101.69 3h3f h GLY 31 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3h3f h GLY 31 CO -0.00 0.00 -0.52 -0.33 0.00 0.00 0.00 176.54 175.68 3h3f h MET 32 N 0.00 0.00 -0.42 4.80 0.00 -1.42 -1.75 114.93 116.14 3h3f h MET 32 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 59.70 59.63 3h3f h MET 32 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.84 3h3f h MET 32 CO 0.02 0.52 -0.01 0.00 0.00 0.00 0.00 176.91 177.45 3h3f h ALA 33 N 1.48 0.56 -0.54 6.32 0.00 -1.40 -1.46 119.26 124.22 3h3f h ALA 33 Ca -0.01 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3h3f h ALA 33 Cb 1.34 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3h3f h ALA 33 CO 0.07 0.35 0.24 0.00 0.00 0.00 0.00 179.25 179.91 3h3f h ALA 35 N 1.33 -0.18 -0.20 0.00 0.00 -1.16 0.08 119.26 119.14 3h3f h ALA 35 Ca 0.26 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3h3f h ALA 35 Cb 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3h3f h ALA 35 CO -0.22 -0.52 -0.25 0.97 0.00 0.00 0.00 179.25 179.24 3h3f h ILE 36 N -0.34 1.25 -0.28 0.00 6.09 -1.25 0.23 117.51 123.22 3h3f h ILE 36 Ca -0.02 -1.19 -0.17 0.00 -1.37 0.00 0.00 64.86 62.11 3h3f h ILE 36 Cb 0.27 1.38 0.00 0.00 0.47 0.00 0.00 36.82 38.94 3h3f h ILE 36 CO 0.03 0.37 -0.48 0.28 -3.07 0.00 0.00 178.15 175.28 3h3f h SER 37 N 0.32 0.91 -0.11 2.19 0.02 -1.26 0.01 113.55 115.63 3h3f h SER 37 Ca 0.05 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3h3f h SER 37 Cb 0.62 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3h3f h SER 37 CO 0.04 1.26 0.06 0.40 -1.14 0.00 0.00 176.83 177.46 3h3f h ILE 38 N 0.58 1.09 -0.80 3.27 2.04 -0.76 -3.02 117.51 119.92 3h3f h ILE 38 Ca 0.02 -0.26 0.14 0.00 1.00 0.00 0.00 64.86 65.76 3h3f h ILE 38 Cb 1.09 1.06 -0.09 0.00 -0.74 0.00 0.00 36.82 38.14 3h3f h ILE 38 CO 0.11 0.08 0.36 -0.07 0.00 0.00 0.00 178.15 178.64 3h3f h LEU 39 N 0.08 0.40 -0.06 1.44 3.38 -0.85 -1.64 115.31 118.06 3h3f h LEU 39 Ca 0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3h3f h LEU 39 Cb 0.08 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3h3f h LEU 39 CO -0.01 0.16 0.00 0.23 0.09 0.00 0.00 178.44 178.91 3h3f n MET 40 N -4.94 1.04 0.00 1.13 2.81 -0.02 -3.08 117.12 114.06 3h3f n MET 40 Ca 0.15 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3h3f n MET 40 Cb 0.42 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 3h3f n MET 40 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3h3f n LYS 41 N -0.79 2.02 -3.87 0.03 5.02 -0.64 -4.99 118.16 114.94 3h3f n LYS 41 Ca 0.17 -1.23 -0.27 0.00 -2.02 0.00 0.00 58.31 54.95 3h3f n LYS 41 Cb 0.09 -0.97 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 3h3f n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3h3f n ASP 42 N -0.37 -3.20 0.04 4.39 9.92 -1.07 -4.95 116.55 121.32 3h3f n ASP 42 Ca 0.00 -0.83 -0.18 0.00 -0.53 0.00 0.00 54.79 53.25 3h3f n ASP 42 Cb 0.21 -3.80 -0.14 0.00 -0.64 0.00 0.00 41.12 36.75 3h3f n ASP 42 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3h3f h LEU 43 N -1.97 0.41 -9.82 0.64 3.38 -1.83 -3.46 115.31 102.65 3h3f h LEU 43 Ca -0.60 -0.66 -0.60 0.00 0.09 0.00 0.00 57.88 56.11 3h3f h LEU 43 Cb 1.37 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 3h3f h LEU 43 CO 0.64 1.57 -0.32 0.00 0.09 0.00 0.00 178.44 180.42 3h3f s ALA 44 N -2.59 3.79 -0.98 1.53 0.00 -1.26 -4.91 121.76 117.34 3h3f s ALA 44 Ca -0.13 -0.49 0.25 0.00 0.00 0.00 0.00 51.96 51.59 3h3f s ALA 44 Cb 0.07 -2.16 0.56 0.00 0.00 0.00 0.00 23.12 21.59 3h3f s ALA 44 CO 0.83 0.62 1.45 -0.40 0.00 0.00 0.00 175.76 178.27 3h3f n ASP 45 N 0.85 0.47 -3.83 0.00 5.75 0.39 -4.66 116.55 115.51 3h3f n ASP 45 Ca -0.08 -0.16 -0.12 0.00 -0.01 0.00 0.00 54.79 54.41 3h3f n ASP 45 Cb 0.52 0.18 -0.13 0.00 -1.03 0.00 0.00 41.12 40.66 3h3f n ASP 45 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3h3f s GLU 46 N -3.01 0.10 -0.11 0.11 2.12 -1.25 -3.48 118.70 113.18 3h3f s GLU 46 Ca 0.11 0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.62 3h3f s GLU 46 Cb 0.17 0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.59 3h3f s GLU 46 CO 0.69 -0.03 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.99 3h3f s LEU 47 N 0.14 2.17 -0.03 2.70 2.96 -0.25 -2.25 118.68 124.12 3h3f s LEU 47 Ca -0.01 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 3h3f s LEU 47 Cb -0.02 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3h3f s LEU 47 CO -0.00 0.15 -0.18 0.00 -1.32 0.00 0.00 176.35 175.00 3h3f s ALA 48 N 0.41 2.53 -0.02 5.97 0.00 -0.71 -0.73 121.76 129.21 3h3f s ALA 48 Ca -0.16 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.82 3h3f s ALA 48 Cb -0.17 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 3h3f s ALA 48 CO 0.07 0.55 -0.22 -0.51 0.00 0.00 0.00 175.76 175.65 3h3f s LEU 49 N -0.81 2.04 0.01 0.00 1.43 0.12 -0.37 118.68 121.09 3h3f s LEU 49 Ca 0.12 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 3h3f s LEU 49 Cb -0.10 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3h3f s LEU 49 CO 0.01 0.27 0.05 0.68 0.23 0.00 0.00 176.35 177.59 3h3f s VAL 50 N -0.48 0.09 0.03 -1.59 -7.23 -0.92 -1.19 120.40 109.10 3h3f s VAL 50 Ca 0.07 -0.78 -0.28 0.00 -1.81 0.00 0.00 61.98 59.19 3h3f s VAL 50 Cb -0.09 -0.33 0.10 0.00 0.56 0.00 0.00 36.38 36.61 3h3f s VAL 50 CO -0.00 -0.43 0.99 -0.62 -0.31 0.00 0.00 175.10 174.73 3h3f s ASP 51 N -1.37 -0.24 0.04 4.85 -1.08 -1.26 -0.60 116.67 117.02 3h3f s ASP 51 Ca -0.15 -0.15 0.11 0.00 -0.52 0.00 0.00 52.55 51.84 3h3f s ASP 51 Cb -0.09 0.37 -0.20 0.00 -1.46 0.00 0.00 42.92 41.54 3h3f s ASP 51 CO 0.00 -0.64 0.92 -0.37 0.52 0.00 0.00 175.17 175.61 3h3f h VAL 52 N 2.00 1.09 -2.21 1.11 -1.51 -1.96 -3.41 116.25 111.37 3h3f h VAL 52 Ca -0.22 -2.83 -0.52 0.00 -1.23 0.00 0.00 66.70 61.89 3h3f h VAL 52 Cb 1.22 2.52 -0.04 0.00 -2.13 0.00 0.00 31.29 32.86 3h3f h VAL 52 CO 0.28 0.62 1.31 -0.04 -1.23 0.00 0.00 177.57 178.51 3h3f s MET 53 N -2.69 2.84 0.12 5.19 -1.94 -1.26 -4.86 119.30 116.71 3h3f s MET 53 Ca -0.02 0.75 -0.09 0.00 -1.71 0.00 0.00 55.69 54.62 3h3f s MET 53 Cb 0.09 -4.32 -0.10 0.00 2.01 0.00 0.00 34.83 32.51 3h3f s MET 53 CO 0.82 -2.47 1.34 0.93 -0.01 0.00 0.00 175.02 175.62 3h3f h GLU 54 N 14.12 0.67 -0.18 2.03 5.08 -1.99 -2.11 114.58 132.19 3h3f h GLU 54 Ca -0.27 -0.56 -0.14 0.00 -1.00 0.00 0.00 59.36 57.38 3h3f h GLU 54 Cb 1.16 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3h3f h GLU 54 CO 1.18 1.18 -0.45 -0.44 -1.00 0.00 0.00 179.01 179.48 3h3f h ASP 55 N 0.45 0.71 0.16 1.42 3.45 -1.99 -2.21 116.42 118.40 3h3f h ASP 55 Ca -0.05 -0.57 -0.01 0.00 0.43 0.00 0.00 57.03 56.83 3h3f h ASP 55 Cb 1.40 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3h3f h ASP 55 CO 0.15 1.15 -0.09 0.50 -1.57 0.00 0.00 179.24 179.39 3h3f h LYS 56 N 0.30 -0.22 -0.64 3.56 3.64 -1.98 -1.59 116.57 119.64 3h3f h LYS 56 Ca -0.00 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 3h3f h LYS 56 Cb 1.06 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.81 3h3f h LYS 56 CO 0.10 -0.15 -0.27 1.25 -2.27 0.00 0.00 179.45 178.12 3h3f h LEU 57 N -0.23 -0.94 -0.57 5.20 5.85 -1.42 0.25 115.31 123.45 3h3f h LEU 57 Ca -0.02 0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3h3f h LEU 57 Cb 0.18 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3h3f h LEU 57 CO 0.03 -0.27 0.09 0.50 -0.34 0.00 0.00 178.44 178.44 3h3f h LYS 58 N -0.09 0.95 -0.42 1.25 3.64 -1.24 -0.65 116.57 120.01 3h3f h LYS 58 Ca 0.28 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3h3f h LYS 58 Cb 0.54 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3h3f h LYS 58 CO -0.70 0.91 0.01 0.78 -2.27 0.00 0.00 179.45 178.18 3h3f h GLY 59 N 0.85 0.79 0.98 5.01 0.00 -0.75 -0.90 103.07 109.05 3h3f h GLY 59 Ca 0.17 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3h3f h GLY 59 CO 0.01 0.53 0.06 0.83 0.00 0.00 0.00 176.54 177.97 3h3f h GLU 60 N 0.57 0.13 -0.35 4.80 4.39 -0.88 -1.18 114.58 122.06 3h3f h GLU 60 Ca 0.12 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.88 3h3f h GLU 60 Cb 0.47 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.00 3h3f h GLU 60 CO 0.02 0.12 -0.33 1.98 -1.16 0.00 0.00 179.01 179.64 3h3f h MET 61 N 0.11 -0.27 -0.13 2.33 4.05 -0.94 -1.94 114.93 118.13 3h3f h MET 61 Ca 0.04 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.51 3h3f h MET 61 Cb 0.02 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 3h3f h MET 61 CO -0.01 -0.18 0.09 0.52 0.23 0.00 0.00 176.91 177.57 3h3f h MET 62 N -0.28 0.00 -0.04 0.39 2.86 -0.87 -2.12 114.93 114.87 3h3f h MET 62 Ca 0.16 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 3h3f h MET 62 Cb 0.54 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.21 3h3f h MET 62 CO -0.51 0.00 -0.44 0.22 1.06 0.00 0.00 176.91 177.24 3h3f h ASP 63 N 0.00 0.45 -0.09 1.22 -0.00 -0.45 -2.30 116.42 115.24 3h3f h ASP 63 Ca 0.06 -0.71 0.01 0.00 -0.00 0.00 0.00 57.03 56.39 3h3f h ASP 63 Cb 0.25 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.43 3h3f h ASP 63 CO -0.00 1.09 0.00 -0.07 -0.00 0.00 0.00 179.24 180.27 3h3f h LEU 64 N -0.16 -0.03 -0.31 2.28 3.38 -1.39 -3.15 115.31 115.93 3h3f h LEU 64 Ca -0.04 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3h3f h LEU 64 Cb 1.13 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 3h3f h LEU 64 CO 0.09 -0.00 -0.18 1.56 0.09 0.00 0.00 178.44 179.99 3h3f h GLN 65 N 0.03 -0.14 -0.09 1.13 4.20 -1.35 0.82 115.11 119.72 3h3f h GLN 65 Ca 0.04 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.79 3h3f h GLN 65 Cb 0.05 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3h3f h GLN 65 CO -0.07 -0.10 0.48 0.45 -0.67 0.00 0.00 178.83 178.93 3h3f h HIS 66 N -0.15 0.00 -0.35 2.96 3.86 -1.38 0.50 115.15 120.59 3h3f h HIS 66 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3h3f h HIS 66 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3h3f h HIS 66 CO -0.38 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.82 3h3f n GLY 67 N -1.32 1.53 0.26 2.45 0.00 0.28 -4.61 105.19 103.78 3h3f n GLY 67 Ca 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.66 3h3f n GLY 67 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3h3f h SER 68 N 2.22 0.00 0.00 1.61 0.02 -0.06 -1.38 113.55 115.96 3h3f h SER 68 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h3f h SER 68 Cb 0.89 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 3h3f h SER 68 CO 0.12 0.08 -0.00 0.25 -1.14 0.00 0.00 176.83 176.15 3h3f h LEU 69 N 0.00 0.00 -2.25 5.07 5.85 -1.83 -2.98 115.31 119.18 3h3f h LEU 69 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h3f h LEU 69 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3h3f h LEU 69 CO 0.01 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 3h3f n PHE 70 N -3.21 0.19 -4.73 1.25 0.99 -0.52 -4.97 117.46 106.46 3h3f n PHE 70 Ca -0.03 -0.29 -0.32 0.00 -0.00 0.00 0.00 57.45 56.81 3h3f n PHE 70 Cb 0.07 -0.02 -0.08 0.00 -1.00 0.00 0.00 39.48 38.45 3h3f n PHE 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3h3f s LEU 71 N -0.86 2.31 -0.33 4.37 1.43 -1.13 -5.07 118.68 119.41 3h3f s LEU 71 Ca 0.14 -1.63 0.16 0.00 -1.03 0.00 0.00 54.13 51.76 3h3f s LEU 71 Cb 0.08 -0.69 0.46 0.00 0.03 0.00 0.00 46.19 46.07 3h3f s LEU 71 CO 0.11 -0.83 1.02 0.54 0.23 0.00 0.00 176.35 177.42 3h3f n ARG 72 N -1.21 1.77 -3.81 1.70 5.12 -1.26 -4.99 116.66 113.98 3h3f n ARG 72 Ca -0.17 -3.56 -0.29 0.00 -1.93 0.00 0.00 57.85 51.90 3h3f n ARG 72 Cb 0.67 -1.54 -0.16 0.00 -1.16 0.00 0.00 32.46 30.27 3h3f n ARG 72 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3h3f s THR 73 N -3.74 0.93 -2.18 0.55 2.01 -1.26 -4.91 115.64 107.04 3h3f s THR 73 Ca 0.32 -0.90 0.20 0.00 0.31 0.00 0.00 61.69 61.62 3h3f s THR 73 Cb 0.42 -1.38 0.49 0.00 0.01 0.00 0.00 72.50 72.04 3h3f s THR 73 CO -0.01 -0.23 1.62 -0.81 -0.69 0.00 0.00 174.62 174.50 3h3f n PRO 74 N 4.89 1.45 -3.66 4.92 -0.05 -1.23 -4.74 135.00 136.58 3h3f n PRO 74 Ca -0.09 -0.68 -0.06 0.00 -0.05 0.00 0.00 63.50 62.62 3h3f n PRO 74 Cb 0.45 -1.36 -0.07 0.00 -0.05 0.00 0.00 33.50 32.47 3h3f n PRO 74 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 175.50 175.66 3h3f s LYS 75 N -1.88 0.55 -0.08 0.54 2.20 -1.25 -5.08 119.74 114.75 3h3f s LYS 75 Ca 0.31 1.17 0.03 0.00 -0.36 0.00 0.00 55.97 57.12 3h3f s LYS 75 Cb 0.16 0.34 0.01 0.00 -1.51 0.00 0.00 37.83 36.83 3h3f s LYS 75 CO 0.25 -0.18 -0.15 0.42 -0.36 0.00 0.00 175.35 175.33 3h3f s ILE 76 N 2.09 1.37 0.07 5.43 1.01 -1.26 -1.09 121.20 128.82 3h3f s ILE 76 Ca -0.07 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.00 3h3f s ILE 76 Cb -0.09 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 3h3f s ILE 76 CO -0.17 0.41 -0.09 0.68 0.00 0.00 0.00 174.94 175.77 3h3f s VAL 77 N 0.65 0.77 0.07 2.92 -7.23 0.09 -4.98 120.40 112.69 3h3f s VAL 77 Ca -0.14 -1.44 -0.20 0.00 -1.81 0.00 0.00 61.98 58.39 3h3f s VAL 77 Cb -0.16 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.72 3h3f s VAL 77 CO 0.04 -0.51 0.46 -0.94 -0.31 0.00 0.00 175.10 173.85 3h3f s SER 78 N -2.14 -0.35 0.00 4.85 1.04 -1.26 0.11 113.70 115.95 3h3f s SER 78 Ca -0.00 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3h3f s SER 78 Cb -0.05 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3h3f s SER 78 CO -0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3h3f n GLY 79 N 0.25 0.62 0.13 7.32 0.00 -0.33 -4.94 105.19 108.23 3h3f n GLY 79 Ca -0.18 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.13 3h3f n GLY 79 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h3f h LYS 80 N 0.00 0.00 -5.49 1.61 2.10 -1.87 -3.35 116.57 109.57 3h3f h LYS 80 Ca 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 3h3f h LYS 80 Cb 0.00 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.22 3h3f h LYS 80 CO 0.00 0.00 0.05 0.34 -2.00 0.00 0.00 179.45 177.84 3h3f s ASP 81 N -5.14 6.55 0.00 7.07 3.68 -1.26 -4.89 116.67 122.67 3h3f s ASP 81 Ca 0.05 0.66 0.06 0.00 2.13 0.00 0.00 52.55 55.46 3h3f s ASP 81 Cb 0.10 -2.31 0.39 0.00 -1.45 0.00 0.00 42.92 39.64 3h3f s ASP 81 CO 0.71 -0.28 0.79 -1.22 0.13 0.00 0.00 175.17 175.29 3h3f n TYR 82 N 5.34 0.00 0.63 -5.34 4.02 -1.26 -2.94 117.16 117.61 3h3f n TYR 82 Ca -0.03 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.99 3h3f n TYR 82 Cb 0.50 0.00 0.42 0.00 -0.02 0.00 0.00 39.34 40.24 3h3f n TYR 82 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h3f n SER 83 N -0.79 0.76 0.10 7.72 3.41 -1.26 -1.57 113.62 121.99 3h3f n SER 83 Ca 0.05 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 3h3f n SER 83 Cb 0.02 -0.78 0.45 0.00 -0.26 0.00 0.00 64.21 63.64 3h3f n SER 83 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3h3f n VAL 84 N -2.22 0.82 0.79 -3.33 0.24 -1.15 -2.55 118.33 110.93 3h3f n VAL 84 Ca 0.05 0.18 0.13 0.00 -2.04 0.00 0.00 64.34 62.67 3h3f n VAL 84 Cb 0.41 -1.06 0.42 0.00 -1.47 0.00 0.00 33.84 32.14 3h3f n VAL 84 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3h3f n THR 85 N -2.06 0.28 -1.69 3.34 -1.04 -0.61 -4.81 114.28 107.70 3h3f n THR 85 Ca 0.03 -0.15 -0.45 0.00 -2.04 0.00 0.00 64.05 61.44 3h3f n THR 85 Cb 0.24 -0.37 -0.04 0.00 -1.82 0.00 0.00 70.33 68.34 3h3f n THR 85 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h3f n ALA 86 N -1.66 1.83 -2.13 2.41 0.00 -1.06 -2.84 120.51 117.06 3h3f n ALA 86 Ca 0.06 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 3h3f n ALA 86 Cb 0.39 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.40 3h3f n ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h3f n ASN 87 N 4.06 -3.05 -4.72 0.00 3.02 -1.03 -4.98 115.26 108.56 3h3f n ASN 87 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 3h3f n ASN 87 Cb 0.31 -2.31 -0.03 0.00 -0.61 0.00 0.00 39.78 37.15 3h3f n ASN 87 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3h3f s SER 88 N -2.63 6.82 0.24 6.41 0.01 -1.13 -4.68 113.70 118.75 3h3f s SER 88 Ca 0.00 2.38 -0.00 0.00 1.31 0.00 0.00 55.95 59.63 3h3f s SER 88 Cb 0.00 -2.59 0.28 0.00 0.21 0.00 0.00 66.02 63.92 3h3f s SER 88 CO 0.00 -0.64 1.64 0.11 0.41 0.00 0.00 173.24 174.77 3h3f h LYS 89 N 6.38 0.56 -3.86 12.44 1.57 -1.39 -3.37 116.57 128.89 3h3f h LYS 89 Ca -0.43 -0.25 -0.38 0.00 -1.87 0.00 0.00 60.65 57.72 3h3f h LYS 89 Cb 1.21 -0.01 -0.34 0.00 0.08 0.00 0.00 32.23 33.16 3h3f h LYS 89 CO 0.84 0.81 -0.76 -1.17 -0.57 0.00 0.00 179.45 178.60 3h3f s LEU 90 N -8.62 1.19 -0.14 2.94 2.96 -1.13 -1.98 118.68 113.91 3h3f s LEU 90 Ca -0.07 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3h3f s LEU 90 Cb 0.13 -0.35 0.01 0.00 0.50 0.00 0.00 46.19 46.48 3h3f s LEU 90 CO 0.81 -0.09 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.88 3h3f s VAL 91 N 1.06 1.83 -0.22 1.68 1.01 -0.87 -0.73 120.40 124.16 3h3f s VAL 91 Ca -0.09 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3h3f s VAL 91 Cb -0.14 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3h3f s VAL 91 CO -0.01 0.51 0.00 -0.63 0.00 0.00 0.00 175.10 174.97 3h3f s ILE 92 N 1.02 3.81 -0.33 2.22 1.01 -0.69 -0.94 121.20 127.31 3h3f s ILE 92 Ca -0.04 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 3h3f s ILE 92 Cb -0.15 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 3h3f s ILE 92 CO -0.05 0.40 0.23 -0.63 0.00 0.00 0.00 174.94 174.89 3h3f s ILE 93 N 1.39 5.23 -0.03 2.92 -1.09 -0.07 -1.08 121.20 128.47 3h3f s ILE 93 Ca 0.05 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 3h3f s ILE 93 Cb -0.15 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 3h3f s ILE 93 CO 0.00 0.03 0.93 0.35 -1.23 0.00 0.00 174.94 175.03 3h3f n THR 94 N 5.09 0.84 -2.76 2.92 -2.24 0.56 -0.91 114.28 117.79 3h3f n THR 94 Ca -0.13 -0.92 -0.37 0.00 -2.27 0.00 0.00 64.05 60.36 3h3f n THR 94 Cb 0.50 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 3h3f n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3f s ALA 95 N -0.85 3.20 -0.23 6.98 0.00 -1.09 -4.72 121.76 125.05 3h3f s ALA 95 Ca 0.01 0.54 -0.27 0.00 0.00 0.00 0.00 51.96 52.23 3h3f s ALA 95 Cb 0.00 -3.19 0.12 0.00 0.00 0.00 0.00 23.12 20.05 3h3f s ALA 95 CO 0.00 0.14 1.00 0.20 0.00 0.00 0.00 175.76 177.11 3h3f s GLY 96 N -1.62 -0.21 0.44 0.00 0.00 -1.26 -4.72 107.32 99.95 3h3f s GLY 96 Ca 0.51 2.40 -0.25 0.00 0.00 0.00 0.00 44.72 47.38 3h3f s GLY 96 CO 0.24 1.53 1.27 0.00 0.00 0.00 0.00 173.10 176.13 3h3f n ALA 97 N 1.66 1.29 -2.70 3.20 0.00 -1.26 -5.01 120.51 117.69 3h3f n ALA 97 Ca -0.12 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 3h3f n ALA 97 Cb 0.57 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 3h3f n ALA 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3h3f s ARG 98 N -2.31 4.14 -0.04 0.00 3.52 -1.26 -4.99 118.95 118.01 3h3f s ARG 98 Ca 0.63 0.17 -0.38 0.00 -0.13 0.00 0.00 55.73 56.02 3h3f s ARG 98 Cb -0.49 -3.37 -0.16 0.00 -1.56 0.00 0.00 34.95 29.37 3h3f s ARG 98 CO 0.57 0.35 1.51 0.94 -0.81 0.00 0.00 175.30 177.86 3h3f n GLN 99 N 3.17 1.23 0.00 5.12 -0.06 -1.26 -4.99 117.38 120.59 3h3f n GLN 99 Ca -0.12 0.45 0.00 0.00 -2.00 0.00 0.00 57.00 55.32 3h3f n GLN 99 Cb 0.52 -2.12 0.00 0.00 -4.06 0.00 0.00 30.24 24.59 3h3f n GLN 99 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 3h3f n GLN 100 N 3.70 0.84 -4.42 3.69 1.13 -1.26 -5.08 117.38 115.98 3h3f n GLN 100 Ca 0.21 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 55.03 3h3f n GLN 100 Cb 0.18 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.44 3h3f n GLN 100 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3h3f s GLU 101 N -0.25 1.92 0.00 -1.09 0.41 -1.26 -4.43 118.70 114.00 3h3f s GLU 101 Ca 0.00 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 52.83 3h3f s GLU 101 Cb 0.00 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 3h3f s GLU 101 CO 0.00 0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.43 3h3f n GLY 102 N -0.79 0.59 3.57 -1.39 0.00 -1.26 -4.93 105.19 100.99 3h3f n GLY 102 Ca -0.05 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.44 3h3f n GLY 102 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h3f n GLU 103 N -1.94 0.96 -3.16 1.61 0.00 -1.26 -5.05 120.64 111.80 3h3f n GLU 103 Ca 0.00 0.34 -0.39 0.00 0.00 0.00 0.00 57.16 57.12 3h3f n GLU 103 Cb 0.04 -1.94 -0.06 0.00 0.00 0.00 0.00 31.44 29.48 3h3f n GLU 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3h3f s SER 104 N 0.34 7.19 0.08 -1.84 0.15 -1.26 -5.02 113.70 113.34 3h3f s SER 104 Ca 0.84 1.41 -0.24 0.00 0.70 0.00 0.00 55.95 58.66 3h3f s SER 104 Cb -0.99 -2.41 -0.16 0.00 -1.71 0.00 0.00 66.02 60.75 3h3f s SER 104 CO 0.49 0.24 1.70 -0.09 1.20 0.00 0.00 173.24 176.79 3h3f h ARG 105 N 4.42 -0.07 0.00 5.44 1.12 -2.00 -1.55 114.38 121.74 3h3f h ARG 105 Ca -0.49 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 3h3f h ARG 105 Cb 1.21 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.19 3h3f h ARG 105 CO 0.64 -0.02 0.00 -0.11 -3.11 0.00 0.00 179.97 177.37 3h3f n LEU 106 N -5.11 0.68 0.50 3.80 7.94 -1.26 -2.30 117.00 121.26 3h3f n LEU 106 Ca -0.08 0.66 -0.20 0.00 -1.11 0.00 0.00 56.01 55.28 3h3f n LEU 106 Cb 0.07 -0.56 -0.10 0.00 0.53 0.00 0.00 43.42 43.36 3h3f n LEU 106 CO 0.33 -0.55 0.54 -1.13 -1.11 0.00 0.00 177.39 175.48 3h3f h ASN 107 N 0.00 -1.19 -0.06 1.96 -0.73 -1.69 -1.72 115.58 112.15 3h3f h ASN 107 Ca 0.00 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.22 3h3f h ASN 107 Cb 0.38 0.32 0.00 0.00 0.27 0.00 0.00 38.32 39.29 3h3f h ASN 107 CO 0.00 -0.80 0.00 0.00 -0.37 0.00 0.00 177.43 176.26 3h3f n LEU 108 N -5.63 0.47 -0.05 0.34 -0.00 -0.97 0.67 117.00 111.82 3h3f n LEU 108 Ca -0.16 -0.21 -0.01 0.00 -0.00 0.00 0.00 56.01 55.63 3h3f n LEU 108 Cb 0.53 -0.04 -0.00 0.00 -0.00 0.00 0.00 43.42 43.90 3h3f n LEU 108 CO 0.39 0.10 -0.10 0.58 -0.00 0.00 0.00 177.39 178.36 3h3f h VAL 109 N 0.59 0.00 -0.76 1.47 2.07 -1.49 -3.26 116.25 114.87 3h3f h VAL 109 Ca 0.00 -0.91 0.17 0.00 0.82 0.00 0.00 66.70 66.78 3h3f h VAL 109 Cb 0.13 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.77 3h3f h VAL 109 CO 0.00 0.00 0.04 -0.61 0.02 0.00 0.00 177.57 177.02 3h3f h GLN 110 N -0.91 0.12 -0.57 1.57 5.75 -0.16 0.24 115.11 121.16 3h3f h GLN 110 Ca 0.00 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3h3f h GLN 110 Cb 0.15 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 3h3f h GLN 110 CO 0.00 0.08 0.33 0.00 -2.65 0.00 0.00 178.83 176.59 3h3f h ARG 111 N 0.13 0.62 -0.22 1.69 3.08 0.06 0.14 114.38 119.88 3h3f h ARG 111 Ca 0.42 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.36 3h3f h ARG 111 Cb 0.75 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3h3f h ARG 111 CO -0.65 0.41 -0.18 -0.91 -1.07 0.00 0.00 179.97 177.58 3h3f h ASN 112 N 0.64 0.37 -0.26 7.04 2.35 -0.74 -2.42 115.58 122.57 3h3f h ASN 112 Ca 0.24 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3h3f h ASN 112 Cb 0.07 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3h3f h ASN 112 CO -0.12 0.57 -0.08 0.58 -1.65 0.00 0.00 177.43 176.72 3h3f h VAL 113 N 0.35 1.24 -0.17 2.81 2.07 0.54 -1.88 116.25 121.22 3h3f h VAL 113 Ca 0.06 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.42 3h3f h VAL 113 Cb 0.52 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3h3f h VAL 113 CO 0.03 0.35 -0.39 0.78 0.02 0.00 0.00 177.57 178.37 3h3f h ASN 114 N 0.60 0.39 -0.39 0.57 2.35 -0.38 -1.96 115.58 116.76 3h3f h ASN 114 Ca 0.11 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3h3f h ASN 114 Cb 0.50 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3h3f h ASN 114 CO 0.03 0.74 0.12 0.40 -1.65 0.00 0.00 177.43 177.07 3h3f h ILE 115 N 0.32 1.20 -0.03 2.81 2.04 -0.90 -2.50 117.51 120.45 3h3f h ILE 115 Ca 0.03 -0.71 -0.16 0.00 1.00 0.00 0.00 64.86 65.03 3h3f h ILE 115 Cb 0.82 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3h3f h ILE 115 CO 0.07 0.26 -0.69 -0.26 0.00 0.00 0.00 178.15 177.53 3h3f h PHE 116 N 0.67 0.21 -0.69 1.37 -1.00 -0.99 0.96 116.94 117.47 3h3f h PHE 116 Ca 0.15 -0.09 0.11 0.00 2.81 0.00 0.00 57.97 60.95 3h3f h PHE 116 Cb 0.24 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 3h3f h PHE 116 CO 0.01 0.79 0.46 0.87 -1.61 0.00 0.00 178.31 178.83 3h3f h LYS 117 N 0.11 0.50 0.06 1.51 1.57 -0.90 0.38 116.57 119.80 3h3f h LYS 117 Ca -0.01 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.50 3h3f h LYS 117 Cb 1.22 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 3h3f h LYS 117 CO 0.10 0.33 -1.25 0.35 -0.57 0.00 0.00 179.45 178.42 3h3f h PHE 118 N 0.52 0.24 0.50 -1.35 3.57 -1.43 -3.39 116.94 115.60 3h3f h PHE 118 Ca 0.32 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3h3f h PHE 118 Cb 0.56 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3h3f h PHE 118 CO -0.00 1.49 -0.24 0.82 -2.23 0.00 0.00 178.31 178.14 3h3f h ILE 119 N -0.60 0.50 -0.17 1.41 2.04 -0.50 -3.31 117.51 116.88 3h3f h ILE 119 Ca -0.30 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3h3f h ILE 119 Cb 1.53 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3h3f h ILE 119 CO -0.04 0.02 0.04 0.40 0.00 0.00 0.00 178.15 178.57 3h3f h ILE 120 N -0.74 0.94 0.00 -0.67 1.08 -0.48 -2.42 117.51 115.22 3h3f h ILE 120 Ca -0.07 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 3h3f h ILE 120 Cb 0.55 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3h3f h ILE 120 CO 0.11 0.02 -0.03 -0.65 -0.69 0.00 0.00 178.15 176.92 3h3f h PRO 121 N 0.11 0.00 0.00 2.37 0.11 -1.76 -0.99 132.00 131.84 3h3f h PRO 121 Ca 0.07 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 3h3f h PRO 121 Cb 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3h3f h PRO 121 CO -0.09 0.03 -0.57 -0.91 -0.21 0.00 0.00 178.00 176.24 3h3f h ASN 122 N 0.00 0.00 0.12 -2.05 2.35 -1.54 -3.21 115.58 111.25 3h3f h ASN 122 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3h3f h ASN 122 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3h3f h ASN 122 CO 0.00 0.27 -0.06 0.58 -1.65 0.00 0.00 177.43 176.57 3h3f h VAL 123 N 0.00 0.89 0.00 2.81 2.07 -0.79 -3.11 116.25 118.12 3h3f h VAL 123 Ca -0.03 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.20 3h3f h VAL 123 Cb 1.23 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3h3f h VAL 123 CO 0.03 0.25 0.00 0.55 0.02 0.00 0.00 177.57 178.42 3h3f n VAL 124 N -4.86 0.79 0.06 2.57 3.14 -0.74 -1.53 118.33 117.76 3h3f n VAL 124 Ca -0.07 0.20 -0.20 0.00 -2.96 0.00 0.00 64.34 61.31 3h3f n VAL 124 Cb 0.26 -1.04 -0.15 0.00 -1.06 0.00 0.00 33.84 31.86 3h3f n VAL 124 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 3h3f h LYS 125 N 0.00 0.31 0.00 1.45 3.64 -1.55 -3.33 116.57 117.09 3h3f h LYS 125 Ca 0.00 -0.54 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 3h3f h LYS 125 Cb 0.09 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3h3f h LYS 125 CO 0.00 1.20 -1.70 0.66 -2.27 0.00 0.00 179.45 177.34 3h3f n TYR 126 N -3.51 0.38 -3.34 1.91 4.02 -0.89 -4.51 117.16 111.22 3h3f n TYR 126 Ca -0.22 0.12 -0.26 0.00 -0.01 0.00 0.00 57.90 57.53 3h3f n TYR 126 Cb 1.06 -0.75 -0.08 0.00 -0.02 0.00 0.00 39.34 39.55 3h3f n TYR 126 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3h3f n SER 127 N -2.50 2.17 0.25 7.72 7.64 -0.58 -2.46 113.62 125.85 3h3f n SER 127 Ca -0.07 -3.10 0.17 0.00 1.01 0.00 0.00 58.87 56.88 3h3f n SER 127 Cb 0.66 -0.66 0.86 0.00 -1.01 0.00 0.00 64.21 64.06 3h3f n SER 127 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3h3f h PRO 128 N 4.18 0.00 -0.33 1.43 0.14 -1.79 -2.95 132.00 132.68 3h3f h PRO 128 Ca 0.15 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.29 3h3f h PRO 128 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.90 3h3f h PRO 128 CO 0.67 0.00 0.00 0.72 0.14 0.00 0.00 178.00 179.53 3h3f n HIS 129 N -2.70 0.89 -2.10 1.56 8.25 -1.26 -5.05 115.22 114.82 3h3f n HIS 129 Ca -0.01 -0.74 -0.27 0.00 -0.26 0.00 0.00 57.72 56.43 3h3f n HIS 129 Cb 0.10 -0.23 0.11 0.00 1.12 0.00 0.00 29.99 31.09 3h3f n HIS 129 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h3f s LYS 131 N -5.50 3.27 -0.11 0.00 3.01 -0.84 -4.96 119.74 114.61 3h3f s LYS 131 Ca 0.65 -0.56 0.00 0.00 -1.01 0.00 0.00 55.97 55.06 3h3f s LYS 131 Cb -0.08 -2.93 -0.02 0.00 -1.01 0.00 0.00 37.83 33.79 3h3f s LYS 131 CO 0.48 0.58 -0.12 -0.51 0.51 0.00 0.00 175.35 176.29 3h3f s LEU 132 N -2.65 2.80 -0.29 3.17 1.43 0.97 -2.05 118.68 122.06 3h3f s LEU 132 Ca 0.33 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3h3f s LEU 132 Cb -0.12 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.53 3h3f s LEU 132 CO 0.26 0.22 -0.03 -0.22 0.23 0.00 0.00 176.35 176.82 3h3f s LEU 133 N 0.03 3.83 0.11 1.79 0.20 -0.12 0.15 118.68 124.68 3h3f s LEU 133 Ca -0.04 -1.37 -0.11 0.00 0.69 0.00 0.00 54.13 53.29 3h3f s LEU 133 Cb -0.14 -1.66 -0.06 0.00 -0.43 0.00 0.00 46.19 43.89 3h3f s LEU 133 CO 0.04 -0.25 0.46 -0.69 -0.29 0.00 0.00 176.35 175.62 3h3f s VAL 134 N 1.19 5.00 0.00 1.68 1.01 0.11 -0.90 120.40 128.49 3h3f s VAL 134 Ca -0.05 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3h3f s VAL 134 Cb -0.20 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3h3f s VAL 134 CO -0.03 0.25 0.00 0.52 0.00 0.00 0.00 175.10 175.84 3h3f n VAL 135 N 0.79 0.00 -1.71 2.92 0.31 -0.09 -2.17 118.33 118.38 3h3f n VAL 135 Ca -0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 3h3f n VAL 135 Cb 0.52 -0.11 -0.01 0.00 -0.91 0.00 0.00 33.84 33.33 3h3f n VAL 135 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3h3f n SER 136 N -0.91 3.18 -4.84 4.52 7.64 -1.12 -4.69 113.62 117.39 3h3f n SER 136 Ca 0.00 1.17 -0.34 0.00 1.01 0.00 0.00 58.87 60.71 3h3f n SER 136 Cb 0.11 -1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 61.74 3h3f n SER 136 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3h3f s ASN 137 N 0.13 6.85 -0.60 6.43 0.01 -1.26 -1.90 114.94 124.60 3h3f s ASN 137 Ca 0.62 1.26 -0.27 0.00 -0.71 0.00 0.00 52.86 53.76 3h3f s ASN 137 Cb -0.56 -2.36 -0.00 0.00 0.41 0.00 0.00 41.25 38.73 3h3f s ASN 137 CO 0.54 -0.09 1.64 -2.84 -1.51 0.00 0.00 177.10 174.85 3h3f s PRO 138 N -2.55 2.96 0.49 -0.60 0.02 -1.26 -4.99 135.00 129.07 3h3f s PRO 138 Ca 0.48 0.49 0.22 0.00 0.02 0.00 0.00 61.00 62.22 3h3f s PRO 138 Cb -0.13 -4.27 1.27 0.00 0.02 0.00 0.00 34.50 31.39 3h3f s PRO 138 CO 0.19 -2.35 1.96 -0.24 -0.33 0.00 0.00 177.00 176.22 3h3f h VAL 139 N 6.60 0.74 0.81 3.83 3.04 -1.65 0.30 116.25 129.92 3h3f h VAL 139 Ca -0.27 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.32 3h3f h VAL 139 Cb 1.13 0.57 0.01 0.00 -2.01 0.00 0.00 31.29 30.98 3h3f h VAL 139 CO 1.20 0.03 -0.39 0.44 -1.01 0.00 0.00 177.57 177.84 3h3f h ASP 140 N 0.16 -0.92 -0.75 3.17 3.32 -1.87 -1.03 116.42 118.50 3h3f h ASP 140 Ca 0.31 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.44 3h3f h ASP 140 Cb 1.01 0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 3h3f h ASP 140 CO -0.05 -0.58 0.44 0.40 -1.72 0.00 0.00 179.24 177.73 3h3f h ILE 141 N -1.23 1.00 0.00 0.35 2.04 -1.64 -3.08 117.51 114.95 3h3f h ILE 141 Ca -0.11 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3h3f h ILE 141 Cb 0.85 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3h3f h ILE 141 CO 0.18 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.66 3h3f n LEU 142 N -4.72 0.68 0.06 1.44 4.77 0.02 -1.76 117.00 117.49 3h3f n LEU 142 Ca 0.10 0.60 -0.22 0.00 -0.03 0.00 0.00 56.01 56.46 3h3f n LEU 142 Cb 0.18 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 3h3f n LEU 142 CO 0.30 -0.31 -0.33 0.74 -1.33 0.00 0.00 177.39 176.46 3h3f h THR 143 N 0.00 1.15 -0.39 -5.08 2.02 -1.09 -1.85 112.91 107.66 3h3f h THR 143 Ca 0.00 -2.51 0.06 0.00 0.77 0.00 0.00 66.41 64.73 3h3f h THR 143 Cb 0.56 2.89 -0.09 0.00 -1.74 0.00 0.00 68.15 69.77 3h3f h THR 143 CO 0.00 0.77 -0.45 0.22 0.37 0.00 0.00 175.52 176.42 3h3f h TYR 144 N -0.13 -1.33 -0.25 3.16 3.20 -1.50 -0.77 116.97 119.34 3h3f h TYR 144 Ca -0.27 0.07 0.05 0.00 3.14 0.00 0.00 58.73 61.71 3h3f h TYR 144 Cb 1.90 0.64 -0.04 0.00 1.54 0.00 0.00 36.73 40.77 3h3f h TYR 144 CO 0.13 -0.45 -0.02 0.28 -1.64 0.00 0.00 178.16 176.46 3h3f h VAL 145 N -0.35 0.80 -0.71 1.81 2.07 -1.39 0.25 116.25 118.72 3h3f h VAL 145 Ca 0.12 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.78 3h3f h VAL 145 Cb 0.59 0.74 -0.13 0.00 -1.52 0.00 0.00 31.29 30.97 3h3f h VAL 145 CO -0.57 0.01 -0.04 0.00 0.02 0.00 0.00 177.57 176.99 3h3f h ALA 146 N 1.23 0.66 0.08 1.67 0.00 -1.05 0.80 119.26 122.65 3h3f h ALA 146 Ca 0.12 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3h3f h ALA 146 Cb 0.17 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h3f h ALA 146 CO -0.22 -0.42 -0.04 2.35 0.00 0.00 0.00 179.25 180.92 3h3f h TRP 147 N 0.08 -0.10 -0.03 0.00 7.01 0.21 -1.24 115.95 121.88 3h3f h TRP 147 Ca 0.37 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.40 3h3f h TRP 147 Cb 0.63 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 3h3f h TRP 147 CO -0.44 -0.03 -0.18 0.87 -2.79 0.00 0.00 178.44 175.87 3h3f h LYS 148 N -0.15 -0.27 -0.28 2.65 1.79 -0.13 -1.74 116.57 118.45 3h3f h LYS 148 Ca -0.01 0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 3h3f h LYS 148 Cb 0.12 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3h3f h LYS 148 CO 0.02 -0.18 -0.23 0.82 -1.08 0.00 0.00 179.45 178.80 3h3f h ILE 149 N -0.28 1.26 0.00 1.86 2.04 -0.80 -3.17 117.51 118.43 3h3f h ILE 149 Ca 0.06 -1.25 -0.15 0.00 1.00 0.00 0.00 64.86 64.52 3h3f h ILE 149 Cb 0.36 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3h3f h ILE 149 CO -0.19 0.40 -1.03 0.77 0.00 0.00 0.00 178.15 178.11 3h3f h SER 150 N 0.47 0.00 -1.53 1.72 4.64 -1.12 -3.45 113.55 114.27 3h3f h SER 150 Ca 0.07 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.14 3h3f h SER 150 Cb 0.66 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 3h3f h SER 150 CO 0.05 0.61 -0.30 0.61 -0.87 0.00 0.00 176.83 176.92 3h3f n GLY 151 N 1.33 0.19 3.89 -0.77 0.00 -0.66 -5.03 105.19 104.15 3h3f n GLY 151 Ca -0.04 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3h3f n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3f s PHE 152 N -2.60 3.52 0.46 1.61 2.99 -1.25 -5.03 117.98 117.68 3h3f s PHE 152 Ca 0.00 0.91 -0.23 0.00 0.00 0.00 0.00 56.93 57.62 3h3f s PHE 152 Cb 0.00 -2.36 -0.08 0.00 0.00 0.00 0.00 43.02 40.58 3h3f s PHE 152 CO 0.00 -0.20 1.13 -1.25 -0.00 0.00 0.00 175.22 174.90 3h3f s PRO 153 N -4.34 3.81 0.43 0.24 0.04 -1.26 -4.95 135.00 128.96 3h3f s PRO 153 Ca 0.49 1.67 0.21 0.00 0.04 0.00 0.00 61.00 63.41 3h3f s PRO 153 Cb -0.10 -2.37 1.16 0.00 0.04 0.00 0.00 34.50 33.23 3h3f s PRO 153 CO 0.39 -0.48 1.82 1.57 0.04 0.00 0.00 177.00 180.33 3h3f h LYS 154 N 2.03 0.32 0.00 4.56 2.10 -1.96 -1.60 116.57 122.02 3h3f h LYS 154 Ca -0.49 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3h3f h LYS 154 Cb 1.24 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3h3f h LYS 154 CO 0.60 0.21 0.20 -2.95 -2.00 0.00 0.00 179.45 175.51 3h3f h ASN 155 N 0.33 0.00 -0.18 7.07 -1.07 -1.89 -3.15 115.58 116.69 3h3f h ASN 155 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.90 3h3f h ASN 155 Cb 1.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.71 3h3f h ASN 155 CO -0.20 0.00 0.00 0.54 0.07 0.00 0.00 177.43 177.84 3h3f n ARG 156 N -2.60 2.14 -3.89 4.14 1.74 -0.60 0.18 116.66 117.76 3h3f n ARG 156 Ca -0.02 -1.64 -0.30 0.00 -0.77 0.00 0.00 57.85 55.12 3h3f n ARG 156 Cb 0.24 -1.18 -0.15 0.00 -1.02 0.00 0.00 32.46 30.35 3h3f n ARG 156 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h3f s VAL 157 N -0.91 1.52 -0.07 1.55 1.01 -1.19 -0.02 120.40 122.30 3h3f s VAL 157 Ca 0.15 -1.61 0.03 0.00 0.00 0.00 0.00 61.98 60.54 3h3f s VAL 157 Cb 0.08 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3h3f s VAL 157 CO 0.11 -0.45 -0.14 -0.63 0.00 0.00 0.00 175.10 173.99 3h3f s ILE 158 N 1.33 3.10 -0.09 2.22 1.01 0.40 -4.85 121.20 124.32 3h3f s ILE 158 Ca 0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 3h3f s ILE 158 Cb -0.18 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 3h3f s ILE 158 CO -0.13 0.58 -0.03 -0.83 0.00 0.00 0.00 174.94 174.52 3h3f s GLY 159 N -0.50 1.77 0.20 6.18 0.00 -0.99 0.07 107.32 114.05 3h3f s GLY 159 Ca 0.07 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 3h3f s GLY 159 CO 0.02 -0.55 1.65 0.23 0.00 0.00 0.00 173.10 174.44 3h3f h SER 160 N 5.37 -0.44 0.00 1.64 0.87 -1.76 0.28 113.55 119.51 3h3f h SER 160 Ca -0.48 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3h3f h SER 160 Cb 1.18 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 3h3f h SER 160 CO 0.54 -0.16 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 3h3f n GLY 161 N -1.39 2.98 1.79 5.77 0.00 -1.26 -1.78 105.19 111.31 3h3f n GLY 161 Ca 0.07 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 3h3f n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3f h ASN 163 N 1.76 0.51 0.64 0.00 -1.24 -0.60 -2.44 115.58 114.21 3h3f h ASN 163 Ca 0.28 0.06 -0.27 0.00 0.71 0.00 0.00 56.30 57.08 3h3f h ASN 163 Cb 2.11 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 41.13 3h3f h ASN 163 CO 0.66 0.30 -1.21 0.25 -1.29 0.00 0.00 177.43 176.14 3h3f h LEU 164 N 0.65 0.40 -0.29 0.34 5.85 -1.82 -2.59 115.31 117.85 3h3f h LEU 164 Ca 0.36 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3h3f h LEU 164 Cb 0.35 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3h3f h LEU 164 CO -0.26 1.32 0.12 0.44 -0.34 0.00 0.00 178.44 179.73 3h3f h ASP 165 N 0.08 0.17 -0.06 1.25 5.19 -1.79 0.15 116.42 121.40 3h3f h ASP 165 Ca -0.12 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3h3f h ASP 165 Cb 1.93 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 41.43 3h3f h ASP 165 CO 0.20 0.13 0.03 0.28 -3.12 0.00 0.00 179.24 176.76 3h3f h SER 166 N 0.27 0.08 -0.78 6.45 0.02 -1.51 0.36 113.55 118.44 3h3f h SER 166 Ca 0.12 -0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.07 3h3f h SER 166 Cb 0.07 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 3h3f h SER 166 CO -0.11 0.16 0.51 0.00 -1.14 0.00 0.00 176.83 176.26 3h3f h ALA 167 N 0.92 1.82 -0.17 3.77 0.00 -1.33 0.13 119.26 124.40 3h3f h ALA 167 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3h3f h ALA 167 Cb 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h3f h ALA 167 CO -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.20 3h3f h ARG 168 N 0.67 0.34 0.08 0.00 3.08 -0.74 -2.60 114.38 115.21 3h3f h ARG 168 Ca 0.36 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.29 3h3f h ARG 168 Cb 0.50 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 3h3f h ARG 168 CO -0.14 0.63 -0.21 0.35 -1.07 0.00 0.00 179.97 179.54 3h3f h PHE 169 N 0.02 -0.55 -0.68 3.04 3.04 -0.37 -0.73 116.94 120.71 3h3f h PHE 169 Ca 0.04 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.09 3h3f h PHE 169 Cb 0.52 0.23 -0.07 0.00 2.56 0.00 0.00 35.95 39.19 3h3f h PHE 169 CO 0.06 -0.30 0.33 0.00 -2.02 0.00 0.00 178.31 176.38 3h3f h ARG 170 N -0.38 0.55 -0.56 1.11 3.08 -0.81 -0.18 114.38 117.19 3h3f h ARG 170 Ca 0.04 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3h3f h ARG 170 Cb 0.41 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3h3f h ARG 170 CO -0.14 0.36 0.32 -0.92 -1.07 0.00 0.00 179.97 178.53 3h3f h TYR 171 N 0.57 0.60 -0.32 3.04 3.20 -1.03 0.13 116.97 123.15 3h3f h TYR 171 Ca 0.34 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 62.08 3h3f h TYR 171 Cb 0.35 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3h3f h TYR 171 CO -0.12 0.33 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.30 3h3f h LEU 172 N 0.63 0.88 -0.46 2.82 3.38 -0.08 0.03 115.31 122.51 3h3f h LEU 172 Ca 0.23 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.75 3h3f h LEU 172 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3h3f h LEU 172 CO -0.12 1.18 0.26 -0.03 0.09 0.00 0.00 178.44 179.82 3h3f h MET 173 N 0.60 0.50 0.00 1.13 4.05 -1.00 -2.57 114.93 117.63 3h3f h MET 173 Ca 0.05 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3h3f h MET 173 Cb 0.95 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.63 3h3f h MET 173 CO 0.09 0.33 -0.09 0.78 0.23 0.00 0.00 176.91 178.25 3h3f h GLY 174 N 0.51 0.00 1.94 1.39 0.00 -0.43 -2.46 103.07 104.02 3h3f h GLY 174 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.32 3h3f h GLY 174 CO -0.10 0.00 -0.91 -2.09 0.00 0.00 0.00 176.54 173.44 3h3f h GLU 175 N 0.00 0.05 0.00 4.80 4.81 -0.61 -1.80 114.58 121.84 3h3f h GLU 175 Ca -0.00 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 3h3f h GLU 175 Cb 0.56 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3h3f h GLU 175 CO 0.01 0.92 -0.64 0.00 -0.73 0.00 0.00 179.01 178.57 3h3f h ARG 176 N 0.02 0.00 0.00 1.92 3.08 -1.14 -3.29 114.38 114.98 3h3f h ARG 176 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3h3f h ARG 176 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 3h3f h ARG 176 CO 0.12 0.64 -1.22 1.28 -1.07 0.00 0.00 179.97 179.72 3h3f n LEU 177 N -3.35 0.74 -1.20 3.04 4.32 -0.99 -4.98 117.00 114.58 3h3f n LEU 177 Ca 0.01 -0.38 -0.11 0.00 -0.02 0.00 0.00 56.01 55.51 3h3f n LEU 177 Cb 0.75 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.54 3h3f n LEU 177 CO 0.42 0.18 -0.14 0.61 -1.22 0.00 0.00 177.39 177.25 3h3f n GLY 178 N 1.44 0.03 3.12 -0.72 0.00 -0.72 -5.03 105.19 103.30 3h3f n GLY 178 Ca 0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 3h3f n GLY 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3f s VAL 179 N -2.53 0.75 0.44 1.61 1.01 -0.92 -5.07 120.40 115.69 3h3f s VAL 179 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 61.98 60.40 3h3f s VAL 179 Cb 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 3h3f s VAL 179 CO 0.00 -0.44 1.36 -2.28 0.00 0.00 0.00 175.10 173.74 3h3f s HIS 180 N -1.81 2.62 0.32 5.22 5.65 -1.26 -4.37 115.29 121.65 3h3f s HIS 180 Ca -0.03 1.34 0.09 0.00 0.25 0.00 0.00 55.06 56.71 3h3f s HIS 180 Cb -0.07 -3.79 0.91 0.00 -1.18 0.00 0.00 32.58 28.45 3h3f s HIS 180 CO 0.00 -2.53 1.68 0.00 -0.65 0.00 0.00 174.74 173.24 3h3f h ALA 181 N 2.42 1.70 -0.76 1.58 0.00 -1.89 -0.16 119.26 122.15 3h3f h ALA 181 Ca -0.50 0.18 0.22 0.00 0.00 0.00 0.00 54.91 54.81 3h3f h ALA 181 Cb 1.26 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 3h3f h ALA 181 CO 0.61 -0.45 0.76 -0.07 0.00 0.00 0.00 179.25 180.11 3h3f h LEU 182 N 0.37 0.00 -0.89 0.00 4.07 -1.92 -2.56 115.31 114.38 3h3f h LEU 182 Ca 0.65 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.61 3h3f h LEU 182 Cb 1.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.10 3h3f h LEU 182 CO -0.57 0.00 -0.22 -1.20 -1.08 0.00 0.00 178.44 175.37 3h3f n SER 183 N -3.67 1.44 -4.65 -0.43 7.64 -0.08 -4.92 113.62 108.95 3h3f n SER 183 Ca 0.16 -1.22 -0.35 0.00 1.01 0.00 0.00 58.87 58.47 3h3f n SER 183 Cb 1.02 0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 64.53 3h3f n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3f s HIS 185 N -0.31 1.69 -0.16 0.00 0.09 -0.88 -4.88 115.29 110.84 3h3f s HIS 185 Ca 0.07 -0.61 -0.30 0.00 -0.00 0.00 0.00 55.06 54.22 3h3f s HIS 185 Cb -0.12 -1.19 0.13 0.00 -0.00 0.00 0.00 32.58 31.39 3h3f s HIS 185 CO 0.02 -0.28 0.99 0.20 -0.00 0.00 0.00 174.74 175.67 3h3f s GLY 186 N 0.49 -0.27 0.02 -2.22 0.00 -1.26 -1.82 107.32 102.27 3h3f s GLY 186 Ca -0.13 2.03 0.06 0.00 0.00 0.00 0.00 44.72 46.68 3h3f s GLY 186 CO 0.04 1.05 -0.19 -0.98 0.00 0.00 0.00 173.10 173.03 3h3f s TRP 187 N -1.07 1.66 -0.21 1.90 0.52 -1.26 -4.85 118.94 115.63 3h3f s TRP 187 Ca -0.02 -0.35 -0.01 0.00 0.02 0.00 0.00 56.10 55.74 3h3f s TRP 187 Cb -0.01 -1.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.31 3h3f s TRP 187 CO 0.02 0.04 -0.12 0.42 0.02 0.00 0.00 176.95 177.33 3h3f s ILE 188 N -0.68 2.69 0.40 2.03 -1.09 -1.26 -2.04 121.20 121.25 3h3f s ILE 188 Ca 0.06 -0.80 0.08 0.00 -2.23 0.00 0.00 60.65 57.76 3h3f s ILE 188 Cb -0.08 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.53 3h3f s ILE 188 CO 0.01 0.43 0.18 -0.76 -1.23 0.00 0.00 174.94 173.56 3h3f s LEU 189 N 1.36 3.14 0.00 2.97 1.02 0.85 -4.77 118.68 123.26 3h3f s LEU 189 Ca 0.04 -1.01 0.00 0.00 0.02 0.00 0.00 54.13 53.18 3h3f s LEU 189 Cb -0.14 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.56 3h3f s LEU 189 CO -0.08 -0.49 0.00 0.61 0.02 0.00 0.00 176.35 176.41 3h3f n GLY 190 N -1.22 0.98 3.70 -3.19 0.00 -0.65 0.14 105.19 104.94 3h3f n GLY 190 Ca -0.01 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 3h3f n GLY 190 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h3f s GLU 191 N 0.00 3.98 0.14 1.61 2.12 -1.26 0.85 118.70 126.14 3h3f s GLU 191 Ca 0.00 -0.28 -0.31 0.00 0.36 0.00 0.00 54.97 54.74 3h3f s GLU 191 Cb 0.00 -3.28 -0.09 0.00 0.26 0.00 0.00 34.13 31.02 3h3f s GLU 191 CO 0.00 0.35 1.52 -1.58 -0.54 0.00 0.00 175.26 175.00 3h3f s HIS 192 N 0.19 3.08 0.00 5.30 5.65 -1.26 -2.50 115.29 125.75 3h3f s HIS 192 Ca 0.06 0.71 0.00 0.00 0.25 0.00 0.00 55.06 56.09 3h3f s HIS 192 Cb -0.12 -3.85 0.00 0.00 -1.18 0.00 0.00 32.58 27.43 3h3f s HIS 192 CO -0.00 -3.12 0.00 0.41 -0.65 0.00 0.00 174.74 171.38 3h3f n GLY 193 N 3.69 0.62 0.01 1.59 0.00 -1.26 -4.75 105.19 105.09 3h3f n GLY 193 Ca 0.13 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.82 3h3f n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h3f n ASP 194 N 0.00 0.12 -0.54 1.61 9.92 -1.26 -3.09 116.55 123.30 3h3f n ASP 194 Ca 0.00 0.49 0.08 0.00 -0.53 0.00 0.00 54.79 54.83 3h3f n ASP 194 Cb 0.00 -0.52 0.18 0.00 -0.64 0.00 0.00 41.12 40.15 3h3f n ASP 194 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3h3f n SER 195 N -1.60 3.13 -4.75 -2.24 7.64 -1.26 -5.05 113.62 109.49 3h3f n SER 195 Ca 0.07 -2.76 -0.37 0.00 1.01 0.00 0.00 58.87 56.82 3h3f n SER 195 Cb 0.35 -0.41 0.04 0.00 -1.01 0.00 0.00 64.21 63.18 3h3f n SER 195 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3h3f s SER 196 N -1.93 5.29 -0.32 6.43 1.04 -1.04 -4.30 113.70 118.87 3h3f s SER 196 Ca 0.32 2.57 -0.08 0.00 0.48 0.00 0.00 55.95 59.24 3h3f s SER 196 Cb 0.25 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.77 3h3f s SER 196 CO 0.08 -1.54 0.12 -0.69 0.98 0.00 0.00 173.24 172.18 3h3f s VAL 197 N -1.43 4.16 -0.66 5.02 1.01 0.38 -4.90 120.40 123.97 3h3f s VAL 197 Ca 0.74 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 3h3f s VAL 197 Cb -0.35 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 32.86 3h3f s VAL 197 CO 0.40 -0.00 1.27 -2.16 0.00 0.00 0.00 175.10 174.61 3h3f s PRO 198 N 1.52 3.31 -0.89 2.72 0.04 -1.26 -0.11 135.00 140.32 3h3f s PRO 198 Ca 0.02 0.02 -0.25 0.00 0.04 0.00 0.00 61.00 60.84 3h3f s PRO 198 Cb -0.18 -4.12 0.02 0.00 0.04 0.00 0.00 34.50 30.27 3h3f s PRO 198 CO 0.04 -1.97 1.51 0.08 0.04 0.00 0.00 177.00 176.69 3h3f s VAL 199 N 5.56 3.75 0.21 -0.36 1.01 -0.86 -4.81 120.40 124.89 3h3f s VAL 199 Ca 0.40 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 3h3f s VAL 199 Cb -0.08 -4.78 0.15 0.00 0.00 0.00 0.00 36.38 31.67 3h3f s VAL 199 CO 0.20 -1.69 1.85 -0.50 0.00 0.00 0.00 175.10 174.96 3h3f h TRP 200 N 10.51 0.83 -0.51 5.22 4.06 -1.92 -3.03 115.95 131.11 3h3f h TRP 200 Ca 0.01 0.02 0.15 0.00 2.06 0.00 0.00 58.89 61.13 3h3f h TRP 200 Cb 1.03 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.90 3h3f h TRP 200 CO 1.21 0.48 0.40 0.66 -3.56 0.00 0.00 178.44 177.63 3h3f h SER 201 N 0.87 0.00 -0.59 -3.49 4.64 -1.97 -2.77 113.55 110.23 3h3f h SER 201 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3h3f h SER 201 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3h3f h SER 201 CO -0.11 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.46 3h3f n GLY 202 N -1.60 2.37 3.71 -0.77 0.00 -1.15 -4.86 105.19 102.90 3h3f n GLY 202 Ca 0.09 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3h3f n GLY 202 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h3f s MET 203 N -1.08 4.40 -0.09 1.61 -1.94 -1.05 -4.55 119.30 116.61 3h3f s MET 203 Ca 0.42 1.81 -0.31 0.00 -1.71 0.00 0.00 55.69 55.89 3h3f s MET 203 Cb 0.22 -3.36 0.12 0.00 2.01 0.00 0.00 34.83 33.82 3h3f s MET 203 CO 0.29 -0.31 1.02 0.54 -0.01 0.00 0.00 175.02 176.56 3h3f s ASN 204 N 1.14 -0.27 -0.16 3.03 4.22 -0.75 -1.03 114.94 121.11 3h3f s ASN 204 Ca 0.59 0.01 0.01 0.00 -2.14 0.00 0.00 52.86 51.33 3h3f s ASN 204 Cb -0.30 0.28 0.02 0.00 1.28 0.00 0.00 41.25 42.54 3h3f s ASN 204 CO 0.29 -0.45 -0.15 -0.69 -2.04 0.00 0.00 177.10 174.05 3h3f s VAL 205 N -2.79 1.70 -1.33 3.54 1.01 -1.17 -2.07 120.40 119.29 3h3f s VAL 205 Ca 0.07 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 3h3f s VAL 205 Cb -0.01 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3h3f s VAL 205 CO -0.07 0.44 1.14 0.00 0.00 0.00 0.00 175.10 176.61 3h3f n ALA 206 N 4.72 -1.27 -0.88 5.51 0.00 -1.26 -2.91 120.51 124.42 3h3f n ALA 206 Ca -0.18 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3h3f n ALA 206 Cb 0.49 -5.37 0.00 0.00 0.00 0.00 0.00 19.45 14.57 3h3f n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3f n GLY 207 N -1.97 0.91 3.51 0.00 0.00 -1.26 -4.98 105.19 101.40 3h3f n GLY 207 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3h3f n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3f s VAL 208 N -3.48 4.79 0.22 1.61 0.11 -1.15 -5.00 120.40 117.51 3h3f s VAL 208 Ca 0.00 0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 58.78 3h3f s VAL 208 Cb 0.00 -4.26 -0.10 0.00 -1.53 0.00 0.00 36.38 30.49 3h3f s VAL 208 CO 0.00 -0.68 1.50 -0.55 -3.33 0.00 0.00 175.10 172.04 3h3f s SER 209 N 2.20 6.60 0.26 3.54 0.15 -1.26 -3.06 113.70 122.13 3h3f s SER 209 Ca 0.22 2.68 0.06 0.00 0.70 0.00 0.00 55.95 59.61 3h3f s SER 209 Cb -0.15 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 61.89 3h3f s SER 209 CO 0.18 -0.77 1.62 -0.07 1.20 0.00 0.00 173.24 175.40 3h3f h LEU 210 N 5.66 0.23 -0.30 3.45 4.07 -1.42 -3.10 115.31 123.90 3h3f h LEU 210 Ca -0.45 -0.12 -0.14 0.00 0.08 0.00 0.00 57.88 57.25 3h3f h LEU 210 Cb 1.21 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.87 3h3f h LEU 210 CO 0.83 0.72 -0.67 0.50 -1.08 0.00 0.00 178.44 178.74 3h3f h LYS 211 N 0.16 0.00 0.41 1.13 3.64 -1.79 0.99 116.57 121.11 3h3f h LYS 211 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3h3f h LYS 211 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3h3f h LYS 211 CO 0.08 0.67 -0.20 1.15 -2.27 0.00 0.00 179.45 178.88 3h3f h THR 212 N 0.00 0.00 -0.65 1.00 2.02 -1.95 -0.34 112.91 112.99 3h3f h THR 212 Ca -0.01 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 66.97 3h3f h THR 212 Cb 1.38 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 3h3f h THR 212 CO 0.09 0.00 -0.39 -0.11 0.37 0.00 0.00 175.52 175.48 3h3f n LEU 213 N -4.23 -0.69 -3.79 2.58 7.94 -1.17 -4.05 117.00 113.60 3h3f n LEU 213 Ca -0.07 1.24 -0.29 0.00 -1.11 0.00 0.00 56.01 55.78 3h3f n LEU 213 Cb 0.22 -0.19 -0.13 0.00 0.53 0.00 0.00 43.42 43.86 3h3f n LEU 213 CO 0.17 -0.98 -0.17 -2.28 -1.11 0.00 0.00 177.39 173.01 3h3f s HIS 214 N -5.12 2.64 -0.88 1.96 2.46 0.34 -5.00 115.29 111.69 3h3f s HIS 214 Ca -0.08 -2.87 0.22 0.00 0.47 0.00 0.00 55.06 52.81 3h3f s HIS 214 Cb 0.07 -2.24 0.91 0.00 -0.13 0.00 0.00 32.58 31.20 3h3f s HIS 214 CO 0.41 -0.71 1.70 -0.35 -2.47 0.00 0.00 174.74 173.32 3h3f n PRO 215 N 2.87 0.07 0.04 2.88 -0.04 -0.15 -1.29 135.00 139.38 3h3f n PRO 215 Ca 0.14 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 3h3f n PRO 215 Cb 0.36 -1.60 0.44 0.00 -0.04 0.00 0.00 33.50 32.65 3h3f n PRO 215 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3h3f n GLU 216 N -1.73 0.07 -1.54 0.54 0.00 -1.26 -4.95 120.64 111.77 3h3f n GLU 216 Ca 0.05 0.22 -0.40 0.00 0.00 0.00 0.00 57.16 57.02 3h3f n GLU 216 Cb 0.27 -1.62 0.02 0.00 0.00 0.00 0.00 31.44 30.12 3h3f n GLU 216 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3h3f n LEU 217 N -1.75 1.64 -1.37 -1.84 7.94 -0.41 -2.18 117.00 119.03 3h3f n LEU 217 Ca 0.04 0.91 -0.16 0.00 -1.11 0.00 0.00 56.01 55.70 3h3f n LEU 217 Cb 0.26 -1.25 -0.06 0.00 0.53 0.00 0.00 43.42 42.90 3h3f n LEU 217 CO 0.20 -2.23 -0.17 0.61 -1.11 0.00 0.00 177.39 174.70 3h3f n GLY 218 N 1.48 1.24 0.00 -3.96 0.00 -1.26 -5.01 105.19 97.68 3h3f n GLY 218 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3h3f n GLY 218 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h3f n THR 219 N -2.83 0.00 -0.01 2.61 -1.04 -0.93 -4.79 114.28 107.29 3h3f n THR 219 Ca -0.17 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.76 3h3f n THR 219 Cb 0.56 -0.28 -0.14 0.00 -1.82 0.00 0.00 70.33 68.65 3h3f n THR 219 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3h3f h ASP 220 N 0.00 0.01 0.00 8.00 3.45 -1.95 -3.36 116.42 122.57 3h3f h ASP 220 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3h3f h ASP 220 Cb 0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3h3f h ASP 220 CO 0.00 1.02 0.00 0.00 -1.57 0.00 0.00 179.24 178.69 3h3f n ALA 221 N -2.53 2.16 -4.01 3.45 0.00 -1.26 -4.66 120.51 113.66 3h3f n ALA 221 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 3h3f n ALA 221 Cb 1.03 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.33 3h3f n ALA 221 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h3f s ASP 222 N 0.36 4.65 0.43 0.00 2.15 -1.26 -4.89 116.67 118.12 3h3f s ASP 222 Ca 0.00 -1.98 0.12 0.00 0.43 0.00 0.00 52.55 51.12 3h3f s ASP 222 Cb 0.00 -1.56 0.99 0.00 -0.30 0.00 0.00 42.92 42.05 3h3f s ASP 222 CO 0.00 -0.35 2.01 0.50 -0.17 0.00 0.00 175.17 177.16 3h3f h LYS 223 N 7.67 0.42 0.00 4.34 3.64 -1.93 0.44 116.57 131.16 3h3f h LYS 223 Ca -0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3h3f h LYS 223 Cb 1.02 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3h3f h LYS 223 CO 0.50 0.28 -0.04 0.93 -2.27 0.00 0.00 179.45 178.85 3h3f h GLU 224 N 0.43 0.00 -6.00 1.90 4.39 -1.98 -3.46 114.58 109.86 3h3f h GLU 224 Ca 0.23 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.52 3h3f h GLU 224 Cb 0.35 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.07 3h3f h GLU 224 CO -0.06 0.04 -0.79 1.04 -1.16 0.00 0.00 179.01 178.08 3h3f n GLN 225 N -3.53 -5.79 0.00 2.33 6.02 0.16 -4.87 117.38 111.70 3h3f n GLN 225 Ca -0.02 0.69 0.01 0.00 -0.01 0.00 0.00 57.00 57.67 3h3f n GLN 225 Cb 0.14 -5.48 0.06 0.00 1.02 0.00 0.00 30.24 25.98 3h3f n GLN 225 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 3h3f n TRP 226 N -4.41 0.00 0.10 1.08 7.02 -1.26 -2.29 117.44 117.68 3h3f n TRP 226 Ca -0.20 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.24 3h3f n TRP 226 Cb 0.63 -0.50 0.12 0.00 -2.42 0.00 0.00 31.31 29.15 3h3f n TRP 226 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 3h3f h LYS 227 N 0.00 0.15 -0.59 -0.99 3.64 -1.87 -2.60 116.57 114.30 3h3f h LYS 227 Ca 0.00 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3h3f h LYS 227 Cb 0.05 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3h3f h LYS 227 CO 0.00 0.73 0.28 1.96 -2.27 0.00 0.00 179.45 180.15 3h3f h GLN 228 N 0.10 0.84 -0.98 1.90 1.08 -1.83 -2.12 115.11 114.11 3h3f h GLN 228 Ca -0.01 -0.11 0.13 0.00 -1.45 0.00 0.00 58.65 57.21 3h3f h GLN 228 Cb 1.14 -0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 28.33 3h3f h GLN 228 CO 0.09 0.66 0.62 0.28 -0.95 0.00 0.00 178.83 179.53 3h3f h VAL 229 N 0.84 0.88 -0.31 -0.54 2.07 -1.65 1.58 116.25 119.12 3h3f h VAL 229 Ca 0.21 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 3h3f h VAL 229 Cb 0.10 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3h3f h VAL 229 CO -0.03 0.17 -0.38 -0.74 0.02 0.00 0.00 177.57 176.61 3h3f h HIS 230 N 0.90 0.97 0.00 1.57 -0.00 -1.54 0.29 115.15 117.35 3h3f h HIS 230 Ca 0.50 -0.31 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 3h3f h HIS 230 Cb 0.58 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 3h3f h HIS 230 CO -0.00 1.10 -0.03 -0.22 -0.00 0.00 0.00 177.93 178.78 3h3f h LYS 231 N 0.56 0.00 0.00 5.26 3.64 0.16 -0.28 116.57 125.92 3h3f h LYS 231 Ca 0.04 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3h3f h LYS 231 Cb 0.97 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3h3f h LYS 231 CO 0.09 0.03 -0.85 0.37 -2.27 0.00 0.00 179.45 176.82 3h3f h GLN 232 N 0.00 0.00 0.00 1.90 4.15 0.31 -2.25 115.11 119.23 3h3f h GLN 232 Ca -0.00 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.22 3h3f h GLN 232 Cb 0.23 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 3h3f h GLN 232 CO 0.00 0.39 -0.99 0.28 -1.93 0.00 0.00 178.83 176.58 3h3f h VAL 233 N 0.00 1.52 -0.04 2.39 2.07 -0.04 -1.47 116.25 120.68 3h3f h VAL 233 Ca -0.06 -3.19 -0.06 0.00 0.82 0.00 0.00 66.70 64.21 3h3f h VAL 233 Cb 1.43 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 3h3f h VAL 233 CO 0.05 0.87 -0.20 0.58 0.02 0.00 0.00 177.57 178.89 3h3f h VAL 234 N 0.00 1.48 -0.10 2.57 2.07 -1.08 -3.32 116.25 117.86 3h3f h VAL 234 Ca -0.03 -1.69 -0.12 0.00 0.82 0.00 0.00 66.70 65.67 3h3f h VAL 234 Cb 1.73 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.97 3h3f h VAL 234 CO 0.12 0.47 -0.48 0.44 0.02 0.00 0.00 177.57 178.13 3h3f h ASP 235 N -0.38 0.28 -0.41 0.57 3.32 -1.51 -3.36 116.42 114.93 3h3f h ASP 235 Ca -0.01 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 56.98 3h3f h ASP 235 Cb 0.87 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.26 3h3f h ASP 235 CO 0.04 0.72 -0.12 -1.20 -1.72 0.00 0.00 179.24 176.96 3h3f n SER 236 N -3.97 -0.18 0.14 6.45 7.64 -0.55 -0.15 113.62 123.00 3h3f n SER 236 Ca -0.02 0.70 -0.14 0.00 1.01 0.00 0.00 58.87 60.43 3h3f n SER 236 Cb 0.53 -0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 3h3f n SER 236 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3f h ALA 237 N 0.74 -0.31 -0.04 -0.43 0.00 -1.80 -2.50 119.26 114.92 3h3f h ALA 237 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3h3f h ALA 237 Cb 0.28 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h3f h ALA 237 CO -0.41 -0.60 -0.01 -0.92 0.00 0.00 0.00 179.25 177.31 3h3f h TYR 238 N -0.46 0.06 0.02 0.00 5.03 -0.79 -1.94 116.97 118.88 3h3f h TYR 238 Ca -0.03 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.14 3h3f h TYR 238 Cb 0.35 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.62 3h3f h TYR 238 CO -0.02 0.07 -0.54 1.49 -1.32 0.00 0.00 178.16 177.84 3h3f h GLU 239 N 0.06 0.33 -0.02 1.82 4.57 -0.81 -2.29 114.58 118.22 3h3f h GLU 239 Ca 0.02 -0.38 -0.16 0.00 -1.18 0.00 0.00 59.36 57.65 3h3f h GLU 239 Cb 0.05 0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3h3f h GLU 239 CO 0.00 1.08 -0.63 0.28 -1.18 0.00 0.00 179.01 178.56 3h3f h VAL 240 N -0.26 1.40 -0.75 0.32 2.07 -1.46 -2.74 116.25 114.84 3h3f h VAL 240 Ca -0.07 -2.04 0.17 0.00 0.82 0.00 0.00 66.70 65.57 3h3f h VAL 240 Cb 1.29 2.48 -0.12 0.00 -1.52 0.00 0.00 31.29 33.42 3h3f h VAL 240 CO 0.10 0.60 0.11 0.40 0.02 0.00 0.00 177.57 178.81 3h3f h ILE 241 N 0.00 0.43 0.00 4.57 2.04 -1.44 -0.24 117.51 122.88 3h3f h ILE 241 Ca -0.07 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3h3f h ILE 241 Cb 1.32 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3h3f h ILE 241 CO 0.13 0.04 0.00 1.17 0.00 0.00 0.00 178.15 179.48 3h3f n LYS 242 N -5.23 0.63 -0.09 2.37 4.81 -0.86 -0.24 118.16 119.55 3h3f n LYS 242 Ca 0.14 0.02 -0.14 0.00 -0.87 0.00 0.00 58.31 57.46 3h3f n LYS 242 Cb 0.48 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.96 3h3f n LYS 242 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3h3f n LEU 243 N -1.11 2.47 0.00 3.14 4.77 -0.30 -4.79 117.00 121.17 3h3f n LEU 243 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3h3f n LEU 243 Cb 0.13 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3h3f n LEU 243 CO 0.17 0.66 0.14 2.29 -1.33 0.00 0.00 177.39 179.31 3h3f n LYS 244 N -3.24 1.49 -0.23 3.23 2.85 -0.26 -5.01 118.16 117.00 3h3f n LYS 244 Ca -0.32 -0.27 0.00 0.00 -1.05 0.00 0.00 58.31 56.67 3h3f n LYS 244 Cb 0.80 -0.74 0.00 0.00 -0.65 0.00 0.00 35.03 34.44 3h3f n LYS 244 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3h3f n GLY 245 N 0.29 0.69 0.00 2.58 0.00 0.67 -4.97 105.19 104.45 3h3f n GLY 245 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h3f n GLY 245 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3h3f n TYR 246 N -2.07 0.00 -3.96 1.61 0.18 -1.21 -4.90 117.16 106.81 3h3f n TYR 246 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 3h3f n TYR 246 Cb 0.00 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.82 3h3f n TYR 246 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3h3f s THR 247 N -2.53 0.13 0.07 -3.48 -4.23 -1.26 -3.89 115.64 100.45 3h3f s THR 247 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 3h3f s THR 247 Cb 0.00 -0.13 0.00 0.00 1.34 0.00 0.00 72.50 73.71 3h3f s THR 247 CO 0.00 -0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.43 3h3f n THR 248 N 2.92 0.05 -0.02 3.99 -2.24 -1.26 -4.61 114.28 113.12 3h3f n THR 248 Ca -0.13 0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 3h3f n THR 248 Cb 0.59 -0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 68.06 3h3f n THR 248 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 3h3f h TRP 249 N 0.00 0.74 -0.18 4.78 4.06 -1.97 -1.21 115.95 122.17 3h3f h TRP 249 Ca 0.00 -0.35 -0.03 0.00 2.06 0.00 0.00 58.89 60.57 3h3f h TRP 249 Cb 0.12 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 3h3f h TRP 249 CO 0.00 1.15 -0.01 0.00 -3.56 0.00 0.00 178.44 176.01 3h3f h ALA 250 N 0.44 0.25 -0.21 1.49 0.00 -1.99 -2.25 119.26 116.99 3h3f h ALA 250 Ca -0.05 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3h3f h ALA 250 Cb 1.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3h3f h ALA 250 CO 0.12 -0.02 -0.04 0.97 0.00 0.00 0.00 179.25 180.28 3h3f h ILE 251 N 0.08 0.80 -0.98 0.00 6.09 -1.91 -1.31 117.51 120.29 3h3f h ILE 251 Ca 0.05 -0.01 0.11 0.00 -1.37 0.00 0.00 64.86 63.64 3h3f h ILE 251 Cb 0.42 0.78 -0.08 0.00 0.47 0.00 0.00 36.82 38.42 3h3f h ILE 251 CO 0.01 0.00 0.62 1.23 -3.07 0.00 0.00 178.15 176.95 3h3f h GLY 252 N 0.02 1.54 1.69 8.18 0.00 -1.12 -0.03 103.07 113.36 3h3f h GLY 252 Ca 0.10 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 3h3f h GLY 252 CO -0.21 0.20 -0.66 1.41 0.00 0.00 0.00 176.54 177.28 3h3f h LEU 253 N 0.99 0.36 0.00 3.11 3.38 -0.88 -1.56 115.31 120.71 3h3f h LEU 253 Ca 0.47 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3h3f h LEU 253 Cb 0.43 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3h3f h LEU 253 CO -0.23 0.92 -0.59 0.77 0.09 0.00 0.00 178.44 179.40 3h3f h SER 254 N 0.22 0.00 -0.22 -0.43 4.64 -0.26 -2.33 113.55 115.17 3h3f h SER 254 Ca -0.02 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 3h3f h SER 254 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3h3f h SER 254 CO 0.11 0.10 -0.59 0.58 -0.87 0.00 0.00 176.83 176.16 3h3f h VAL 255 N 0.00 1.29 -0.37 0.95 2.07 -0.72 -2.91 116.25 116.56 3h3f h VAL 255 Ca -0.01 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 3h3f h VAL 255 Cb 1.09 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3h3f h VAL 255 CO 0.01 0.57 0.09 0.00 0.02 0.00 0.00 177.57 178.26 3h3f h ALA 256 N 0.61 1.47 -0.21 1.67 0.00 -1.14 -1.28 119.26 120.38 3h3f h ALA 256 Ca -0.01 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3h3f h ALA 256 Cb 1.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3h3f h ALA 256 CO 0.13 0.39 0.03 0.22 0.00 0.00 0.00 179.25 180.02 3h3f h ASP 257 N 0.53 -0.01 0.37 0.00 -0.00 -1.36 -0.50 116.42 115.46 3h3f h ASP 257 Ca 0.13 0.03 -0.01 0.00 -0.00 0.00 0.00 57.03 57.18 3h3f h ASP 257 Cb 0.20 0.05 -0.00 0.00 -0.00 0.00 0.00 39.33 39.58 3h3f h ASP 257 CO -0.00 0.03 -0.22 -0.07 -0.00 0.00 0.00 179.24 178.97 3h3f h LEU 258 N 0.11 -0.56 -0.98 2.28 3.38 -1.11 -2.59 115.31 115.84 3h3f h LEU 258 Ca 0.10 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.37 3h3f h LEU 258 Cb 0.10 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 3h3f h LEU 258 CO -0.13 -0.36 0.53 0.00 0.09 0.00 0.00 178.44 178.57 3h3f h ALA 259 N 0.04 1.77 -0.44 1.53 0.00 -1.19 -1.17 119.26 119.80 3h3f h ALA 259 Ca -0.04 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3h3f h ALA 259 Cb 0.47 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3h3f h ALA 259 CO 0.04 -0.42 0.06 1.49 0.00 0.00 0.00 179.25 180.43 3h3f h GLU 260 N 0.42 0.73 -0.10 0.00 4.81 -0.70 1.16 114.58 120.91 3h3f h GLU 260 Ca 0.66 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.71 3h3f h GLU 260 Cb 1.38 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3h3f h GLU 260 CO -0.55 0.77 0.01 0.77 -0.73 0.00 0.00 179.01 179.28 3h3f h SER 261 N 0.59 -0.01 0.37 1.04 0.02 -1.03 0.40 113.55 114.93 3h3f h SER 261 Ca 0.13 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3h3f h SER 261 Cb 0.39 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3h3f h SER 261 CO 0.01 0.01 -0.18 0.40 -1.14 0.00 0.00 176.83 175.93 3h3f h ILE 262 N 0.05 0.59 -0.41 3.27 2.04 -1.18 0.29 117.51 122.16 3h3f h ILE 262 Ca 0.05 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3h3f h ILE 262 Cb 0.04 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3h3f h ILE 262 CO -0.07 0.09 0.18 0.24 0.00 0.00 0.00 178.15 178.59 3h3f h MET 263 N -0.81 0.57 -0.01 2.37 2.86 0.15 -2.86 114.93 117.20 3h3f h MET 263 Ca -0.05 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3h3f h MET 263 Cb 0.53 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3h3f h MET 263 CO 0.08 0.46 -0.50 1.63 1.06 0.00 0.00 176.91 179.64 3h3f n LYS 264 N -4.39 0.84 -3.22 1.72 5.02 0.14 -4.97 118.16 113.29 3h3f n LYS 264 Ca 0.03 -0.64 -0.19 0.00 -2.02 0.00 0.00 58.31 55.49 3h3f n LYS 264 Cb 0.13 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.71 3h3f n LYS 264 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h3f n ASN 265 N -0.52 -5.43 0.15 4.39 5.15 0.91 -4.91 115.26 115.00 3h3f n ASN 265 Ca 0.09 -0.37 0.01 0.00 -0.60 0.00 0.00 54.58 53.71 3h3f n ASN 265 Cb 0.41 -4.11 0.30 0.00 -0.53 0.00 0.00 39.78 35.84 3h3f n ASN 265 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3h3f h LEU 266 N -1.84 0.09 -0.92 1.20 3.38 -1.46 -3.45 115.31 112.31 3h3f h LEU 266 Ca -0.45 -0.03 -0.43 0.00 0.09 0.00 0.00 57.88 57.06 3h3f h LEU 266 Cb 1.30 -0.02 0.06 0.00 0.09 0.00 0.00 40.66 42.08 3h3f h LEU 266 CO 0.45 0.48 -0.72 0.54 0.09 0.00 0.00 178.44 179.29 3h3f n ARG 267 N -4.05 -6.92 -1.68 1.13 1.74 0.20 -4.97 116.66 102.11 3h3f n ARG 267 Ca -0.02 0.73 -0.30 0.00 -0.77 0.00 0.00 57.85 57.49 3h3f n ARG 267 Cb 0.44 -5.72 0.07 0.00 -1.02 0.00 0.00 32.46 26.23 3h3f n ARG 267 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h3f s ARG 268 N -6.44 2.54 -0.30 5.56 0.52 -1.17 -4.50 118.95 115.15 3h3f s ARG 268 Ca 0.61 0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 56.34 3h3f s ARG 268 Cb -0.29 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 3h3f s ARG 268 CO 0.77 -1.30 0.24 0.08 0.02 0.00 0.00 175.30 175.11 3h3f s VAL 269 N -3.21 5.28 0.18 3.52 1.01 -1.26 -0.80 120.40 125.13 3h3f s VAL 269 Ca 0.59 0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.75 3h3f s VAL 269 Cb -0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3h3f s VAL 269 CO 0.54 0.13 -0.20 -1.00 0.00 0.00 0.00 175.10 174.56 3h3f s HIS 270 N 1.80 2.40 -0.69 5.22 0.09 -0.53 -4.86 115.29 118.72 3h3f s HIS 270 Ca 0.08 -0.32 -0.24 0.00 -0.00 0.00 0.00 55.06 54.58 3h3f s HIS 270 Cb -0.16 -1.19 0.06 0.00 -0.00 0.00 0.00 32.58 31.28 3h3f s HIS 270 CO 0.11 0.49 1.07 -1.25 -0.00 0.00 0.00 174.74 175.16 3h3f s PRO 271 N -2.64 3.14 0.10 8.40 0.04 -1.26 0.64 135.00 143.42 3h3f s PRO 271 Ca 0.21 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.63 3h3f s PRO 271 Cb -0.08 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.20 3h3f s PRO 271 CO 0.11 -1.93 -0.02 0.96 0.04 0.00 0.00 177.00 176.16 3h3f s ILE 272 N 4.63 0.44 -0.25 0.56 -4.36 -1.17 -1.87 121.20 119.18 3h3f s ILE 272 Ca 0.27 -1.90 -0.25 0.00 -0.26 0.00 0.00 60.65 58.50 3h3f s ILE 272 Cb -0.14 -1.79 -0.00 0.00 1.25 0.00 0.00 42.46 41.78 3h3f s ILE 272 CO 0.12 -0.76 0.86 -0.55 0.24 0.00 0.00 174.94 174.85 3h3f s SER 273 N -3.03 6.85 0.15 4.36 0.15 1.00 -2.89 113.70 120.29 3h3f s SER 273 Ca 0.15 1.05 0.05 0.00 0.70 0.00 0.00 55.95 57.90 3h3f s SER 273 Cb 0.07 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 3h3f s SER 273 CO -0.03 -0.55 -0.11 0.28 1.20 0.00 0.00 173.24 174.03 3h3f s THR 274 N 2.91 1.25 -0.30 6.45 -1.32 -0.60 -2.33 115.64 121.69 3h3f s THR 274 Ca 0.36 -2.07 -0.29 0.00 -1.21 0.00 0.00 61.69 58.48 3h3f s THR 274 Cb -0.15 -1.87 -0.01 0.00 -1.51 0.00 0.00 72.50 68.96 3h3f s THR 274 CO 0.08 -0.72 1.49 -0.32 -2.21 0.00 0.00 174.62 172.93 3h3f s MET 275 N -3.71 3.75 -0.27 7.08 1.75 -1.26 -2.30 119.30 124.34 3h3f s MET 275 Ca 0.17 1.36 0.11 0.00 -1.25 0.00 0.00 55.69 56.08 3h3f s MET 275 Cb 0.02 -4.00 0.47 0.00 2.84 0.00 0.00 34.83 34.16 3h3f s MET 275 CO 0.01 -1.35 1.17 1.47 -0.65 0.00 0.00 175.02 175.68 3h3f n LEU 276 N 8.42 3.95 -4.68 4.11 -0.00 -1.18 -4.99 117.00 122.63 3h3f n LEU 276 Ca 0.17 -4.25 -0.57 0.00 -0.00 0.00 0.00 56.01 51.36 3h3f n LEU 276 Cb 0.46 -0.16 -0.07 0.00 -0.00 0.00 0.00 43.42 43.65 3h3f n LEU 276 CO 0.66 1.79 1.21 1.17 -0.00 0.00 0.00 177.39 182.21 3h3f n LYS 277 N -0.69 1.06 -0.34 1.47 3.00 -1.25 -2.48 118.16 118.93 3h3f n LYS 277 Ca 0.33 0.39 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 3h3f n LYS 277 Cb 0.92 -2.05 0.00 0.00 0.00 0.00 0.00 35.03 33.90 3h3f n LYS 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h3f n GLY 278 N 3.77 0.74 3.27 3.14 0.00 0.11 -5.02 105.19 111.20 3h3f n GLY 278 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 3h3f n GLY 278 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3f s LEU 279 N 0.00 2.45 -1.03 0.99 2.01 -1.04 -4.86 118.68 117.21 3h3f s LEU 279 Ca 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 54.13 53.27 3h3f s LEU 279 Cb 0.00 -0.57 0.00 0.00 0.01 0.00 0.00 46.19 45.63 3h3f s LEU 279 CO 0.00 -0.16 0.00 -1.22 1.01 0.00 0.00 176.35 175.98 3h3f n TYR 280 N 0.28 0.00 0.00 0.29 4.02 -1.26 -2.25 117.16 118.24 3h3f n TYR 280 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 3h3f n TYR 280 Cb 0.58 -2.58 0.00 0.00 -0.02 0.00 0.00 39.34 37.32 3h3f n TYR 280 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h3f n GLY 281 N 0.10 0.36 3.58 2.72 0.00 -1.26 -4.87 105.19 105.82 3h3f n GLY 281 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3h3f n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3f s ILE 282 N -2.00 4.81 -0.66 -0.61 -1.09 -0.96 -4.88 121.20 115.81 3h3f s ILE 282 Ca 0.00 0.81 0.24 0.00 -2.23 0.00 0.00 60.65 59.47 3h3f s ILE 282 Cb 0.00 -4.14 0.03 0.00 -1.58 0.00 0.00 42.46 36.77 3h3f s ILE 282 CO 0.00 -0.35 1.30 0.29 -1.23 0.00 0.00 174.94 174.95 3h3f n LYS 283 N 6.22 0.27 -2.81 2.79 4.01 -1.26 0.09 118.16 127.48 3h3f n LYS 283 Ca 0.01 0.07 -0.28 0.00 -0.51 0.00 0.00 58.31 57.60 3h3f n LYS 283 Cb 0.48 -1.66 -0.01 0.00 -0.51 0.00 0.00 35.03 33.32 3h3f n LYS 283 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3h3f s GLU 284 N -3.16 3.63 -1.26 1.97 0.41 -1.26 -4.84 118.70 114.19 3h3f s GLU 284 Ca 0.06 0.25 -0.09 0.00 -0.41 0.00 0.00 54.97 54.78 3h3f s GLU 284 Cb 0.14 -2.42 0.18 0.00 -1.78 0.00 0.00 34.13 30.25 3h3f s GLU 284 CO 0.73 -0.09 1.79 -0.25 -0.49 0.00 0.00 175.26 176.95 3h3f n ASP 285 N -1.78 5.20 -4.01 -0.19 10.43 -1.26 -3.97 116.55 120.96 3h3f n ASP 285 Ca 0.01 -3.12 -0.12 0.00 2.57 0.00 0.00 54.79 54.13 3h3f n ASP 285 Cb 0.55 -1.47 -0.12 0.00 1.84 0.00 0.00 41.12 41.92 3h3f n ASP 285 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3h3f s VAL 286 N 0.28 0.35 -0.19 2.53 0.11 -1.26 -5.02 120.40 117.21 3h3f s VAL 286 Ca 0.39 -0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 58.43 3h3f s VAL 286 Cb 0.08 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3h3f s VAL 286 CO 0.01 -0.35 0.30 -0.36 -3.33 0.00 0.00 175.10 171.37 3h3f s PHE 287 N -1.20 3.41 0.14 1.54 0.08 -1.26 -3.09 117.98 117.59 3h3f s PHE 287 Ca -0.10 0.53 0.05 0.00 0.12 0.00 0.00 56.93 57.53 3h3f s PHE 287 Cb -0.09 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 3h3f s PHE 287 CO -0.00 0.14 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.63 3h3f s LEU 288 N 0.82 2.48 0.13 -0.37 1.43 -0.97 -4.77 118.68 117.44 3h3f s LEU 288 Ca 0.16 -0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 52.05 3h3f s LEU 288 Cb -0.13 -0.40 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 3h3f s LEU 288 CO 0.05 -0.27 0.83 -0.44 0.23 0.00 0.00 176.35 176.75 3h3f s SER 289 N -2.90 7.40 0.04 2.29 0.01 0.25 -1.56 113.70 119.23 3h3f s SER 289 Ca 0.13 1.66 -0.27 0.00 1.31 0.00 0.00 55.95 58.79 3h3f s SER 289 Cb -0.00 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.78 3h3f s SER 289 CO 0.01 0.10 0.69 0.54 0.41 0.00 0.00 173.24 174.99 3h3f s VAL 290 N -0.65 0.00 -0.23 3.43 0.11 -1.14 -1.64 120.40 120.28 3h3f s VAL 290 Ca 0.39 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.15 3h3f s VAL 290 Cb -0.23 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3h3f s VAL 290 CO 0.27 0.00 1.37 -2.84 -3.33 0.00 0.00 175.10 170.57 3h3f s PRO 291 N -2.50 4.01 -0.07 1.54 0.02 -1.26 -3.06 135.00 133.68 3h3f s PRO 291 Ca -0.03 1.52 0.02 0.00 0.02 0.00 0.00 61.00 62.53 3h3f s PRO 291 Cb -0.01 -3.88 -0.02 0.00 0.02 0.00 0.00 34.50 30.61 3h3f s PRO 291 CO -0.03 -1.01 -0.13 0.00 -0.33 0.00 0.00 177.00 175.51 3h3f s VAL 293 N -0.51 4.67 -0.06 0.00 1.01 -0.90 -1.45 120.40 123.16 3h3f s VAL 293 Ca 0.07 1.92 0.03 0.00 0.00 0.00 0.00 61.98 64.00 3h3f s VAL 293 Cb -0.12 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3h3f s VAL 293 CO 0.02 0.15 -0.16 -0.22 0.00 0.00 0.00 175.10 174.88 3h3f s LEU 294 N 1.05 1.84 0.00 3.92 2.96 0.02 -3.35 118.68 125.12 3h3f s LEU 294 Ca 0.54 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3h3f s LEU 294 Cb -0.23 -0.99 0.00 0.00 0.50 0.00 0.00 46.19 45.47 3h3f s LEU 294 CO 0.28 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 176.03 3h3f n GLY 295 N 3.46 3.21 0.00 7.98 0.00 -1.07 0.60 105.19 119.37 3h3f n GLY 295 Ca -0.20 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.23 3h3f n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3f n GLN 296 N 0.00 0.35 -0.65 1.61 10.64 -1.25 -2.65 117.38 125.43 3h3f n GLN 296 Ca 0.00 0.03 0.01 0.00 -1.83 0.00 0.00 57.00 55.21 3h3f n GLN 296 Cb 0.00 -1.50 0.22 0.00 -0.86 0.00 0.00 30.24 28.10 3h3f n GLN 296 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3h3f n ASN 297 N -1.30 3.05 0.00 2.61 5.03 -1.26 -5.01 115.26 118.37 3h3f n ASN 297 Ca 0.12 -3.45 0.00 0.00 0.87 0.00 0.00 54.58 52.12 3h3f n ASN 297 Cb 0.22 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 3h3f n ASN 297 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h3f n GLY 298 N -0.90 0.33 3.44 7.41 0.00 -1.09 -4.49 105.19 109.89 3h3f n GLY 298 Ca 0.29 -0.94 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 3h3f n GLY 298 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3f s ILE 299 N 0.00 4.67 0.06 -0.61 1.01 0.13 -2.59 121.20 123.86 3h3f s ILE 299 Ca 0.00 -1.28 0.17 0.00 0.00 0.00 0.00 60.65 59.54 3h3f s ILE 299 Cb 0.00 -4.73 0.09 0.00 0.01 0.00 0.00 42.46 37.83 3h3f s ILE 299 CO 0.00 -1.45 1.60 0.77 0.00 0.00 0.00 174.94 175.86 3h3f h SER 300 N 9.01 0.00 -5.11 3.58 4.64 -1.81 -3.40 113.55 120.45 3h3f h SER 300 Ca 0.02 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 3h3f h SER 300 Cb 1.04 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.97 3h3f h SER 300 CO 1.12 0.46 -0.39 -1.81 -0.87 0.00 0.00 176.83 175.34 3h3f s ASP 301 N -6.46 0.08 -0.05 4.97 1.11 -1.26 -5.03 116.67 110.03 3h3f s ASP 301 Ca 0.01 -0.51 0.06 0.00 0.18 0.00 0.00 52.55 52.30 3h3f s ASP 301 Cb 0.10 0.31 -0.01 0.00 1.07 0.00 0.00 42.92 44.39 3h3f s ASP 301 CO 0.72 -0.64 -0.24 -0.69 1.18 0.00 0.00 175.17 175.50 3h3f s VAL 302 N -3.18 1.94 0.32 -1.27 1.01 -1.26 -2.12 120.40 115.84 3h3f s VAL 302 Ca -0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 3h3f s VAL 302 Cb 0.02 -1.63 -0.10 0.00 0.00 0.00 0.00 36.38 34.67 3h3f s VAL 302 CO -0.07 0.54 0.91 -0.69 0.00 0.00 0.00 175.10 175.79 3h3f s VAL 303 N -0.22 4.30 -0.33 2.92 1.01 0.14 -4.98 120.40 123.23 3h3f s VAL 303 Ca -0.01 1.68 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 3h3f s VAL 303 Cb -0.13 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.38 3h3f s VAL 303 CO 0.02 0.08 0.07 -0.54 0.00 0.00 0.00 175.10 174.73 3h3f s LYS 304 N -2.23 2.53 -0.02 2.72 1.02 -1.26 -4.48 119.74 118.02 3h3f s LYS 304 Ca 0.51 -1.24 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 3h3f s LYS 304 Cb -0.17 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 3h3f s LYS 304 CO 0.22 -0.67 0.24 0.08 -0.92 0.00 0.00 175.35 174.30 3h3f s VAL 305 N 1.34 5.35 -0.51 3.17 1.01 -1.26 -5.00 120.40 124.49 3h3f s VAL 305 Ca -0.03 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 3h3f s VAL 305 Cb -0.20 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.67 3h3f s VAL 305 CO 0.01 0.42 1.02 -0.89 0.00 0.00 0.00 175.10 175.66 3h3f s THR 306 N -1.24 4.31 0.16 3.92 2.01 -1.26 -4.99 115.64 118.56 3h3f s THR 306 Ca 0.25 0.75 -0.12 0.00 0.31 0.00 0.00 61.69 62.87 3h3f s THR 306 Cb -0.13 -4.55 -0.07 0.00 0.01 0.00 0.00 72.50 67.76 3h3f s THR 306 CO 0.14 -1.04 0.53 -0.76 -0.69 0.00 0.00 174.62 172.81 3h3f s LEU 307 N 4.17 4.29 0.43 4.42 1.43 -1.26 -5.04 118.68 127.11 3h3f s LEU 307 Ca 0.39 0.99 -0.26 0.00 -1.03 0.00 0.00 54.13 54.22 3h3f s LEU 307 Cb -0.10 -3.36 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 3h3f s LEU 307 CO 0.25 0.06 1.44 -0.89 0.23 0.00 0.00 176.35 177.44 3h3f s THR 308 N -1.57 2.07 0.27 5.49 2.01 -1.26 -4.84 115.64 117.80 3h3f s THR 308 Ca 0.40 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.37 3h3f s THR 308 Cb -0.14 -3.04 0.42 0.00 0.01 0.00 0.00 72.50 69.76 3h3f s THR 308 CO 0.20 0.01 1.53 -0.24 -0.69 0.00 0.00 174.62 175.43 3h3f n SER 309 N -0.01 -0.39 0.09 3.53 2.88 -1.26 -0.48 113.62 117.98 3h3f n SER 309 Ca 0.04 1.69 -0.12 0.00 -1.33 0.00 0.00 58.87 59.15 3h3f n SER 309 Cb 0.41 -0.50 -0.05 0.00 -0.75 0.00 0.00 64.21 63.32 3h3f n SER 309 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3h3f h GLU 310 N 0.00 -0.40 -0.70 -1.46 9.09 -2.00 -0.36 114.58 118.75 3h3f h GLU 310 Ca 0.45 0.03 0.11 0.00 0.05 0.00 0.00 59.36 60.00 3h3f h GLU 310 Cb 0.70 0.09 -0.05 0.00 -1.65 0.00 0.00 28.75 27.85 3h3f h GLU 310 CO -1.01 -0.27 0.46 0.93 0.05 0.00 0.00 179.01 179.18 3h3f h GLU 311 N -0.42 0.48 -0.51 1.06 5.08 -1.46 -1.16 114.58 117.66 3h3f h GLU 311 Ca 0.04 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3h3f h GLU 311 Cb 0.47 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3h3f h GLU 311 CO -0.18 0.32 -0.15 0.93 -1.00 0.00 0.00 179.01 178.93 3h3f h GLU 312 N 0.50 0.99 -0.40 2.33 5.08 -0.04 -2.31 114.58 120.73 3h3f h GLU 312 Ca 0.33 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3h3f h GLU 312 Cb 0.61 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3h3f h GLU 312 CO -0.11 1.07 0.03 0.00 -1.00 0.00 0.00 179.01 179.01 3h3f h ALA 313 N 0.89 0.53 -0.69 3.43 0.00 0.05 -2.50 119.26 120.98 3h3f h ALA 313 Ca 0.12 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.94 3h3f h ALA 313 Cb 0.72 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.24 3h3f h ALA 313 CO 0.06 0.28 -0.06 0.45 0.00 0.00 0.00 179.25 179.97 3h3f h HIS 314 N 0.52 -0.16 -0.41 0.00 3.86 -1.27 -2.01 115.15 115.68 3h3f h HIS 314 Ca 0.12 0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 3h3f h HIS 314 Cb 0.42 0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 3h3f h HIS 314 CO 0.03 -0.24 -0.05 1.25 0.86 0.00 0.00 177.93 179.78 3h3f h LEU 315 N 0.06 0.66 0.00 2.43 5.85 -0.99 0.43 115.31 123.75 3h3f h LEU 315 Ca 0.35 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3h3f h LEU 315 Cb 0.59 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3h3f h LEU 315 CO -0.64 0.76 -0.47 0.50 -0.34 0.00 0.00 178.44 178.25 3h3f h LYS 316 N 0.63 0.00 0.00 1.25 3.11 -1.37 -2.67 116.57 117.53 3h3f h LYS 316 Ca 0.12 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.91 3h3f h LYS 316 Cb 0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 3h3f h LYS 316 CO 0.02 0.00 -0.25 -0.22 -2.81 0.00 0.00 179.45 176.19 3h3f h LYS 317 N 0.00 0.00 -0.23 1.90 3.64 -0.21 0.30 116.57 121.98 3h3f h LYS 317 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 3h3f h LYS 317 Cb 0.88 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3h3f h LYS 317 CO 0.00 0.25 -0.59 0.77 -2.27 0.00 0.00 179.45 177.62 3h3f h SER 318 N 0.00 0.82 1.58 4.20 0.02 -1.02 -2.87 113.55 116.29 3h3f h SER 318 Ca -0.00 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 3h3f h SER 318 Cb 1.10 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 3h3f h SER 318 CO 0.03 1.22 -0.10 0.00 -1.14 0.00 0.00 176.83 176.84 3h3f h ALA 319 N 0.79 0.95 0.13 3.77 0.00 -1.12 -1.36 119.26 122.41 3h3f h ALA 319 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3h3f h ALA 319 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h3f h ALA 319 CO 0.12 0.13 -0.06 0.22 0.00 0.00 0.00 179.25 179.66 3h3f h ASP 320 N 0.00 -0.14 -0.27 0.00 1.82 -0.32 -3.19 116.42 114.32 3h3f h ASP 320 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 3h3f h ASP 320 Cb 0.92 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 3h3f h ASP 320 CO 0.01 -0.09 0.11 0.71 -1.61 0.00 0.00 179.24 178.37 3h3f h THR 321 N -0.19 1.17 -0.99 2.25 1.35 -1.56 0.22 112.91 115.16 3h3f h THR 321 Ca -0.02 -0.52 0.34 0.00 -0.55 0.00 0.00 66.41 65.66 3h3f h THR 321 Cb 0.13 1.01 -0.18 0.00 -1.73 0.00 0.00 68.15 67.38 3h3f h THR 321 CO 0.03 0.18 0.32 -0.07 -0.25 0.00 0.00 175.52 175.72 3h3f h LEU 322 N 0.29 -0.00 0.11 3.87 4.07 -1.41 -0.87 115.31 121.37 3h3f h LEU 322 Ca 0.09 0.26 -0.32 0.00 0.08 0.00 0.00 57.88 57.98 3h3f h LEU 322 Cb 0.17 0.35 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 3h3f h LEU 322 CO -0.01 -0.36 -1.70 -0.25 -1.08 0.00 0.00 178.44 175.04 3h3f h TRP 323 N 0.04 0.44 -0.06 1.13 2.91 -1.16 -0.55 115.95 118.71 3h3f h TRP 323 Ca 0.72 -0.32 0.02 0.00 1.13 0.00 0.00 58.89 60.43 3h3f h TRP 323 Cb 1.72 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 30.35 3h3f h TRP 323 CO -0.22 1.47 0.21 0.78 -1.03 0.00 0.00 178.44 179.65 3h3f h GLY 324 N 1.64 0.00 0.37 2.65 0.00 0.05 0.26 103.07 108.04 3h3f h GLY 324 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.70 3h3f h GLY 324 CO 0.14 0.00 -1.76 1.39 0.00 0.00 0.00 176.54 176.31 3h3f n ILE 325 N -3.16 1.68 0.06 2.60 5.41 -0.40 -4.38 119.36 121.18 3h3f n ILE 325 Ca -0.01 -0.42 0.03 0.00 1.00 0.00 0.00 62.75 63.35 3h3f n ILE 325 Cb 0.29 -1.84 0.41 0.00 -0.71 0.00 0.00 39.64 37.78 3h3f n ILE 325 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3h3f h GLN 326 N -0.34 0.40 0.00 0.38 4.20 0.32 -2.48 115.11 117.58 3h3f h GLN 326 Ca -0.41 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 3h3f h GLN 326 Cb 1.76 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.46 3h3f h GLN 326 CO -0.04 0.38 -0.16 1.57 -0.67 0.00 0.00 178.83 179.91 3h3f h LYS 327 N 0.40 0.00 0.00 1.46 2.10 -0.75 -3.10 116.57 116.68 3h3f h LYS 327 Ca 0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.74 3h3f h LYS 327 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3h3f h LYS 327 CO -0.00 0.16 -0.04 0.93 -2.00 0.00 0.00 179.45 178.50 3h3f h GLU 328 N 0.00 0.02 -3.16 0.07 5.08 -1.66 -3.45 114.58 111.48 3h3f h GLU 328 Ca -0.00 -0.03 -0.46 0.00 -1.00 0.00 0.00 59.36 57.87 3h3f h GLU 328 Cb 0.37 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.64 3h3f h GLU 328 CO 0.02 0.90 0.33 1.28 -1.00 0.00 0.00 179.01 180.54 3h3f n LEU 329 N -4.64 0.57 -4.68 1.33 7.99 -1.15 -4.84 117.00 111.58 3h3f n LEU 329 Ca -0.10 0.63 -0.41 0.00 -0.01 0.00 0.00 56.01 56.11 3h3f n LEU 329 Cb 0.45 -0.47 -0.04 0.00 -0.11 0.00 0.00 43.42 43.25 3h3f n LEU 329 CO 0.35 -0.50 0.62 -1.10 -1.51 0.00 0.00 177.39 175.24 3h3f s GLN 330 N 1.41 4.36 0.00 3.23 -1.52 -1.26 -5.02 119.66 120.86 3h3f s GLN 330 Ca 0.55 1.10 0.00 0.00 -1.95 0.00 0.00 55.36 55.05 3h3f s GLN 330 Cb -0.78 -3.54 0.00 0.00 -0.22 0.00 0.00 33.01 28.47 3h3f s GLN 330 CO 0.42 -0.24 0.00 1.97 -0.25 0.00 0.00 175.29 177.19