#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmt s PRO 2 N 0.00 4.68 -0.01 2.12 0.02 -1.22 -4.80 135.00 135.78 3dmt s PRO 2 Ca 0.00 1.47 -0.17 0.00 0.02 0.00 0.00 61.00 62.32 3dmt s PRO 2 Cb 0.00 -3.38 -0.06 0.00 0.02 0.00 0.00 34.50 31.09 3dmt s PRO 2 CO 0.00 0.18 0.48 0.96 -0.33 0.00 0.00 177.00 178.29 3dmt s ILE 3 N 0.09 4.98 -0.38 2.83 -4.36 -0.43 -4.76 121.20 119.17 3dmt s ILE 3 Ca 0.48 1.00 -0.19 0.00 -0.26 0.00 0.00 60.65 61.67 3dmt s ILE 3 Cb -0.24 -3.80 0.01 0.00 1.25 0.00 0.00 42.46 39.68 3dmt s ILE 3 CO 0.30 0.50 0.57 -0.54 0.24 0.00 0.00 174.94 176.01 3dmt s LYS 4 N -0.61 3.50 0.09 0.37 -0.14 -1.26 -0.71 119.74 120.98 3dmt s LYS 4 Ca 0.26 -0.21 0.06 0.00 -1.36 0.00 0.00 55.97 54.72 3dmt s LYS 4 Cb -0.17 -3.86 -0.04 0.00 -1.68 0.00 0.00 37.83 32.08 3dmt s LYS 4 CO 0.14 -0.78 -0.08 0.08 -0.76 0.00 0.00 175.35 173.95 3dmt s VAL 5 N 2.56 3.50 -0.02 3.17 1.01 0.12 -1.80 120.40 128.94 3dmt s VAL 5 Ca 0.21 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3dmt s VAL 5 Cb -0.15 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.61 3dmt s VAL 5 CO 0.15 0.15 -0.08 -0.83 0.00 0.00 0.00 175.10 174.50 3dmt s GLY 6 N -2.12 0.47 -0.34 4.51 0.00 0.32 -0.76 107.32 109.40 3dmt s GLY 6 Ca 0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 44.72 44.61 3dmt s GLY 6 CO 0.14 -0.03 0.10 -0.42 0.00 0.00 0.00 173.10 172.88 3dmt s ILE 7 N 0.24 3.63 -0.59 0.90 1.01 -0.77 0.42 121.20 126.03 3dmt s ILE 7 Ca -0.03 -1.24 -0.21 0.00 0.00 0.00 0.00 60.65 59.17 3dmt s ILE 7 Cb -0.08 -3.09 0.07 0.00 0.01 0.00 0.00 42.46 39.37 3dmt s ILE 7 CO 0.00 -0.20 0.81 0.21 0.00 0.00 0.00 174.94 175.76 3dmt s ASN 8 N 1.43 6.21 0.00 3.58 3.04 0.48 -0.79 114.94 128.89 3dmt s ASN 8 Ca -0.02 -0.99 0.00 0.00 0.04 0.00 0.00 52.86 51.89 3dmt s ASN 8 Cb -0.20 -2.36 0.00 0.00 -1.54 0.00 0.00 41.25 37.15 3dmt s ASN 8 CO 0.02 -1.19 0.00 0.61 -3.04 0.00 0.00 177.10 173.49 3dmt n GLY 9 N 5.25 0.78 2.35 1.21 0.00 0.85 -0.02 105.19 115.61 3dmt n GLY 9 Ca -0.05 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 3dmt n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dmt n PHE 10 N 0.00 1.75 -1.77 1.61 7.35 -0.99 -3.38 117.46 122.03 3dmt n PHE 10 Ca 0.00 -2.36 0.00 0.00 -0.76 0.00 0.00 57.45 54.33 3dmt n PHE 10 Cb 0.00 -1.80 0.00 0.00 0.35 0.00 0.00 39.48 38.03 3dmt n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dmt n GLY 11 N 2.02 3.09 0.38 7.13 0.00 -1.26 -4.47 105.19 112.08 3dmt n GLY 11 Ca 0.58 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 3dmt n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmt n ARG 12 N 0.00 -0.40 -0.03 1.61 5.12 -1.26 -0.19 116.66 121.51 3dmt n ARG 12 Ca 0.00 1.37 -0.16 0.00 -1.93 0.00 0.00 57.85 57.13 3dmt n ARG 12 Cb 0.00 -2.01 -0.13 0.00 -1.16 0.00 0.00 32.46 29.16 3dmt n ARG 12 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3dmt h ILE 13 N 0.00 1.66 -0.85 0.55 1.08 -1.89 0.15 117.51 118.21 3dmt h ILE 13 Ca 0.15 -2.25 0.25 0.00 -0.39 0.00 0.00 64.86 62.62 3dmt h ILE 13 Cb 0.37 3.15 -0.03 0.00 -3.07 0.00 0.00 36.82 37.24 3dmt h ILE 13 CO -0.85 0.60 0.70 1.23 -0.69 0.00 0.00 178.15 179.14 3dmt h GLY 14 N -0.71 0.00 0.00 5.37 0.00 -1.52 0.53 103.07 106.73 3dmt h GLY 14 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.92 3dmt h GLY 14 CO 0.05 0.00 -2.39 -2.13 0.00 0.00 0.00 176.54 172.06 3dmt n ARG 15 N -3.98 0.69 0.07 4.80 0.63 0.73 -3.42 116.66 116.18 3dmt n ARG 15 Ca 0.18 0.10 -0.02 0.00 -0.92 0.00 0.00 57.85 57.18 3dmt n ARG 15 Cb 1.00 -1.50 0.23 0.00 0.45 0.00 0.00 32.46 32.63 3dmt n ARG 15 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 3dmt h MET 16 N 0.00 0.33 -0.21 -0.14 2.86 -0.10 0.11 114.93 117.79 3dmt h MET 16 Ca -0.55 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 56.99 3dmt h MET 16 Cb 1.97 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.59 3dmt h MET 16 CO -0.05 0.63 0.02 0.28 1.06 0.00 0.00 176.91 178.85 3dmt h VAL 17 N 0.29 0.88 -0.17 -2.22 2.07 -0.12 0.66 116.25 117.63 3dmt h VAL 17 Ca 0.04 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3dmt h VAL 17 Cb 0.73 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3dmt h VAL 17 CO 0.06 0.02 -0.01 0.15 0.02 0.00 0.00 177.57 177.81 3dmt h PHE 18 N 0.10 -0.02 -0.44 1.57 3.04 -1.47 0.57 116.94 120.29 3dmt h PHE 18 Ca 0.10 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 3dmt h PHE 18 Cb 0.11 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 3dmt h PHE 18 CO -0.16 -0.03 0.24 0.37 -2.02 0.00 0.00 178.31 176.71 3dmt h GLN 19 N 0.04 0.61 -0.97 1.11 4.15 -0.48 -0.15 115.11 119.43 3dmt h GLN 19 Ca 0.08 -0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.51 3dmt h GLN 19 Cb 0.10 -0.12 -0.07 0.00 0.21 0.00 0.00 27.48 27.60 3dmt h GLN 19 CO -0.14 0.49 0.62 0.00 -1.93 0.00 0.00 178.83 177.86 3dmt h ALA 20 N 1.09 1.38 0.00 3.38 0.00 0.56 0.95 119.26 126.62 3dmt h ALA 20 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dmt h ALA 20 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3dmt h ALA 20 CO -0.02 0.34 0.00 1.25 0.00 0.00 0.00 179.25 180.81 3dmt h LEU 21 N 1.07 0.00 0.00 0.00 5.85 0.10 -2.98 115.31 119.35 3dmt h LEU 21 Ca 0.44 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 58.75 3dmt h LEU 21 Cb 0.27 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 3dmt h LEU 21 CO -0.20 0.00 -2.46 0.00 -0.34 0.00 0.00 178.44 175.44 3dmt h GLU 23 N -0.48 0.27 -0.02 0.00 4.81 0.87 0.48 114.58 120.51 3dmt h GLU 23 Ca -0.62 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 3dmt h GLU 23 Cb 1.73 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.05 3dmt h GLU 23 CO -0.25 0.18 0.00 -0.25 -0.73 0.00 0.00 179.01 177.96 3dmt n ASP 24 N -4.45 0.33 -0.77 1.04 8.00 -1.13 -4.89 116.55 114.69 3dmt n ASP 24 Ca 0.18 -1.28 -0.09 0.00 0.71 0.00 0.00 54.79 54.31 3dmt n ASP 24 Cb 0.75 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.81 3dmt n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dmt n GLY 25 N 0.95 0.68 0.05 0.44 0.00 0.17 -4.94 105.19 102.54 3dmt n GLY 25 Ca 0.19 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3dmt n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dmt n LEU 26 N -1.06 0.67 -4.66 0.99 4.77 -1.18 -4.79 117.00 111.73 3dmt n LEU 26 Ca -0.09 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 3dmt n LEU 26 Cb 0.38 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3dmt n LEU 26 CO 0.13 -0.02 1.20 -0.22 -1.33 0.00 0.00 177.39 177.14 3dmt s LEU 27 N -4.14 4.24 0.00 2.23 1.98 -1.11 -0.24 118.68 121.65 3dmt s LEU 27 Ca 0.05 1.93 0.00 0.00 -2.89 0.00 0.00 54.13 53.22 3dmt s LEU 27 Cb 0.14 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.45 3dmt s LEU 27 CO 0.75 -0.82 0.00 0.61 -1.89 0.00 0.00 176.35 175.00 3dmt n GLY 28 N 3.82 2.99 0.09 7.98 0.00 0.31 -4.84 105.19 115.54 3dmt n GLY 28 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3dmt n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dmt n THR 29 N -0.41 0.00 0.08 2.61 -2.24 -1.20 -4.76 114.28 108.36 3dmt n THR 29 Ca 0.00 0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 62.00 3dmt n THR 29 Cb 0.00 -1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 66.83 3dmt n THR 29 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3dmt h GLU 30 N 0.00 0.30 -3.98 -0.78 4.57 -1.82 -3.23 114.58 109.64 3dmt h GLU 30 Ca 0.00 -0.38 -0.46 0.00 -1.18 0.00 0.00 59.36 57.33 3dmt h GLU 30 Cb 0.00 0.12 -0.37 0.00 -0.16 0.00 0.00 28.75 28.35 3dmt h GLU 30 CO 0.00 1.11 -0.78 0.42 -1.18 0.00 0.00 179.01 178.57 3dmt s ILE 31 N -3.04 0.65 -0.42 2.32 1.01 0.66 -1.32 121.20 121.08 3dmt s ILE 31 Ca -0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 3dmt s ILE 31 Cb 0.09 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.85 3dmt s ILE 31 CO 0.86 0.29 0.38 -1.81 0.00 0.00 0.00 174.94 174.66 3dmt s ASP 32 N 1.59 6.16 -0.59 3.58 -0.00 0.11 0.11 116.67 127.63 3dmt s ASP 32 Ca 0.00 -0.78 -0.26 0.00 -0.00 0.00 0.00 52.55 51.51 3dmt s ASP 32 Cb -0.13 -2.20 0.04 0.00 -0.00 0.00 0.00 42.92 40.63 3dmt s ASP 32 CO -0.04 -0.53 1.10 -0.69 -0.00 0.00 0.00 175.17 175.01 3dmt s VAL 33 N 1.93 4.14 0.10 -1.27 1.01 -1.26 -0.70 120.40 124.34 3dmt s VAL 33 Ca 0.09 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 3dmt s VAL 33 Cb -0.18 -4.67 -0.25 0.00 0.00 0.00 0.00 36.38 31.27 3dmt s VAL 33 CO 0.12 -1.31 1.20 0.58 0.00 0.00 0.00 175.10 175.69 3dmt h VAL 34 N 6.09 1.56 -1.83 2.92 2.07 -1.23 -3.39 116.25 122.45 3dmt h VAL 34 Ca -0.26 -3.13 0.05 0.00 0.82 0.00 0.00 66.70 64.18 3dmt h VAL 34 Cb 1.06 2.88 -0.23 0.00 -1.52 0.00 0.00 31.29 33.48 3dmt h VAL 34 CO 1.16 0.91 0.16 0.00 0.02 0.00 0.00 177.57 179.81 3dmt s ALA 35 N -2.72 -2.02 0.06 1.67 0.00 -1.25 -1.97 121.76 115.54 3dmt s ALA 35 Ca -0.02 2.34 0.04 0.00 0.00 0.00 0.00 51.96 54.31 3dmt s ALA 35 Cb 0.08 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 3dmt s ALA 35 CO 0.86 -0.37 0.01 0.14 0.00 0.00 0.00 175.76 176.40 3dmt s VAL 36 N 1.50 4.11 -0.08 0.00 -7.23 -0.43 -1.84 120.40 116.43 3dmt s VAL 36 Ca -0.09 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 3dmt s VAL 36 Cb -0.04 -2.92 0.03 0.00 0.56 0.00 0.00 36.38 34.00 3dmt s VAL 36 CO -0.18 0.20 -0.03 0.54 -0.31 0.00 0.00 175.10 175.32 3dmt s VAL 37 N -1.25 0.63 0.00 1.32 0.11 0.03 -2.53 120.40 118.71 3dmt s VAL 37 Ca 0.24 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 3dmt s VAL 37 Cb -0.12 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 3dmt s VAL 37 CO 0.16 0.30 0.00 -0.67 -3.33 0.00 0.00 175.10 171.56 3dmt n ASP 38 N 4.94 0.45 0.38 3.54 -0.08 -1.26 -0.10 116.55 124.41 3dmt n ASP 38 Ca -0.11 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 52.99 3dmt n ASP 38 Cb 0.50 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.87 3dmt n ASP 38 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3dmt h MET 39 N 0.00 -0.89 0.00 -0.67 2.86 -1.97 -2.65 114.93 111.61 3dmt h MET 39 Ca 0.00 0.06 -0.40 0.00 -2.06 0.00 0.00 59.70 57.30 3dmt h MET 39 Cb 0.00 0.20 0.11 0.00 0.06 0.00 0.00 31.60 31.97 3dmt h MET 39 CO 0.00 -0.60 0.21 0.27 1.06 0.00 0.00 176.91 177.86 3dmt n ASN 40 N -5.49 0.76 -0.15 1.22 0.23 -1.26 -3.84 115.26 106.72 3dmt n ASN 40 Ca -0.14 -1.78 0.04 0.00 -0.53 0.00 0.00 54.58 52.18 3dmt n ASN 40 Cb 0.38 -0.71 0.08 0.00 -2.08 0.00 0.00 39.78 37.45 3dmt n ASN 40 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3dmt n THR 41 N -3.08 1.38 -2.64 5.53 5.66 -1.26 -4.60 114.28 115.26 3dmt n THR 41 Ca 0.15 -1.48 -0.42 0.00 -3.05 0.00 0.00 64.05 59.25 3dmt n THR 41 Cb 0.52 0.21 -0.03 0.00 -1.55 0.00 0.00 70.33 69.48 3dmt n THR 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3dmt s ASP 42 N -1.68 6.49 0.39 1.09 -1.08 -1.26 -4.27 116.67 116.35 3dmt s ASP 42 Ca 0.16 -1.49 0.12 0.00 -0.52 0.00 0.00 52.55 50.82 3dmt s ASP 42 Cb 0.13 -2.53 0.93 0.00 -1.46 0.00 0.00 42.92 39.98 3dmt s ASP 42 CO 0.03 -1.44 1.89 0.00 0.52 0.00 0.00 175.17 176.18 3dmt h ALA 43 N 9.61 1.96 -0.42 3.66 0.00 -1.60 0.25 119.26 132.72 3dmt h ALA 43 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dmt h ALA 43 Cb 1.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3dmt h ALA 43 CO 1.35 -0.18 0.25 0.93 0.00 0.00 0.00 179.25 181.59 3dmt h GLU 44 N 0.56 0.58 -0.01 0.00 5.08 -1.89 0.32 114.58 119.22 3dmt h GLU 44 Ca 0.41 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3dmt h GLU 44 Cb 0.77 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 3dmt h GLU 44 CO -0.16 0.44 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.37 3dmt h TYR 45 N 0.56 0.03 -0.44 4.33 3.20 -1.64 -1.19 116.97 121.82 3dmt h TYR 45 Ca 0.15 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.11 3dmt h TYR 45 Cb 0.02 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 3dmt h TYR 45 CO -0.03 0.37 -0.24 0.74 -1.64 0.00 0.00 178.16 177.36 3dmt h PHE 46 N -0.32 -0.63 -0.58 -3.82 -1.00 -0.43 -1.06 116.94 109.10 3dmt h PHE 46 Ca 0.00 0.05 0.04 0.00 2.81 0.00 0.00 57.97 60.87 3dmt h PHE 46 Cb 0.36 0.34 -0.04 0.00 3.61 0.00 0.00 35.95 40.22 3dmt h PHE 46 CO 0.05 -0.32 0.33 0.00 -1.61 0.00 0.00 178.31 176.76 3dmt h ALA 47 N 1.08 0.75 -0.15 2.45 0.00 -0.31 -0.49 119.26 122.59 3dmt h ALA 47 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3dmt h ALA 47 Cb 0.48 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3dmt h ALA 47 CO -0.53 0.02 -0.14 -0.92 0.00 0.00 0.00 179.25 177.68 3dmt h TYR 48 N 0.64 -0.35 -0.94 0.00 3.20 -0.57 0.28 116.97 119.23 3dmt h TYR 48 Ca 0.25 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.26 3dmt h TYR 48 Cb 0.09 0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.46 3dmt h TYR 48 CO -0.07 -0.20 0.60 1.96 -1.64 0.00 0.00 178.16 178.80 3dmt h GLN 49 N -0.16 0.84 -0.11 1.82 4.20 -0.69 -1.84 115.11 119.17 3dmt h GLN 49 Ca 0.10 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 3dmt h GLN 49 Cb 0.30 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3dmt h GLN 49 CO -0.25 0.55 -0.20 0.52 -0.67 0.00 0.00 178.83 178.79 3dmt h MET 50 N 0.86 0.33 -0.49 1.46 2.86 -0.10 -3.32 114.93 116.52 3dmt h MET 50 Ca 0.46 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.94 3dmt h MET 50 Cb 0.56 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 3dmt h MET 50 CO -0.23 0.79 0.24 -0.09 1.06 0.00 0.00 176.91 178.69 3dmt h ARG 51 N -0.10 0.47 -5.27 1.72 2.43 -0.08 -3.35 114.38 110.19 3dmt h ARG 51 Ca 0.01 -0.03 -0.67 0.00 -0.81 0.00 0.00 59.98 58.47 3dmt h ARG 51 Cb 0.78 -0.11 -0.33 0.00 -0.42 0.00 0.00 29.97 29.89 3dmt h ARG 51 CO 0.04 0.31 -0.87 0.71 -1.51 0.00 0.00 179.97 178.65 3dmt s TYR 52 N -6.13 2.56 -0.05 2.20 2.02 -0.73 -1.02 117.35 116.19 3dmt s TYR 52 Ca -0.13 -1.13 0.00 0.00 -0.37 0.00 0.00 57.07 55.45 3dmt s TYR 52 Cb 0.13 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 3dmt s TYR 52 CO 0.73 -0.48 -0.02 0.34 -1.57 0.00 0.00 175.55 174.55 3dmt s ASP 53 N 0.50 1.09 0.19 2.29 -1.08 -0.69 -4.66 116.67 114.32 3dmt s ASP 53 Ca -0.15 -0.10 -0.11 0.00 -0.52 0.00 0.00 52.55 51.67 3dmt s ASP 53 Cb -0.17 -0.42 0.17 0.00 -1.46 0.00 0.00 42.92 41.04 3dmt s ASP 53 CO 0.05 -0.11 1.81 0.74 0.52 0.00 0.00 175.17 178.19 3dmt h THR 54 N 6.22 1.02 0.08 1.71 2.02 -1.96 -0.21 112.91 121.79 3dmt h THR 54 Ca -0.32 -0.23 -0.37 0.00 0.77 0.00 0.00 66.41 66.25 3dmt h THR 54 Cb 1.14 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3dmt h THR 54 CO 0.40 0.12 -2.14 0.55 0.37 0.00 0.00 175.52 174.82 3dmt n VAL 55 N -4.78 1.68 1.10 3.16 3.14 -1.26 -4.40 118.33 116.98 3dmt n VAL 55 Ca 0.06 -0.64 0.12 0.00 -2.96 0.00 0.00 64.34 60.92 3dmt n VAL 55 Cb 0.12 -1.59 0.16 0.00 -1.06 0.00 0.00 33.84 31.46 3dmt n VAL 55 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3dmt n HIS 56 N -3.39 0.00 -4.06 1.45 8.25 -1.24 -4.95 115.22 111.29 3dmt n HIS 56 Ca -0.36 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 3dmt n HIS 56 Cb 1.03 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.13 3dmt n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dmt n GLY 57 N 1.35 -0.57 3.74 -1.41 0.00 -0.09 -4.83 105.19 103.38 3dmt n GLY 57 Ca 0.13 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 3dmt n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmt s LYS 58 N 0.00 4.43 0.02 1.61 3.01 -1.26 -1.70 119.74 125.85 3dmt s LYS 58 Ca 0.00 0.92 -0.30 0.00 -1.01 0.00 0.00 55.97 55.58 3dmt s LYS 58 Cb 0.00 -3.39 -0.08 0.00 -1.01 0.00 0.00 37.83 33.35 3dmt s LYS 58 CO 0.00 0.21 1.84 0.12 0.51 0.00 0.00 175.35 178.03 3dmt s PHE 59 N 0.26 1.64 0.52 3.18 5.36 -0.19 -4.88 117.98 123.87 3dmt s PHE 59 Ca 0.36 -0.18 0.28 0.00 -0.96 0.00 0.00 56.93 56.43 3dmt s PHE 59 Cb -0.19 -4.12 1.39 0.00 -0.34 0.00 0.00 43.02 39.76 3dmt s PHE 59 CO 0.20 -4.89 1.92 -0.22 -1.46 0.00 0.00 175.22 170.77 3dmt h LYS 60 N 9.95 0.06 -5.82 10.12 3.64 -1.93 -3.42 116.57 129.18 3dmt h LYS 60 Ca -0.46 -0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.30 3dmt h LYS 60 Cb 1.22 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 3dmt h LYS 60 CO 0.94 0.04 -0.28 0.71 -2.27 0.00 0.00 179.45 178.59 3dmt s TYR 61 N -5.06 3.64 0.22 1.91 1.51 -1.26 -5.05 117.35 113.26 3dmt s TYR 61 Ca -0.06 0.81 -0.31 0.00 -1.01 0.00 0.00 57.07 56.50 3dmt s TYR 61 Cb 0.21 -2.24 -0.11 0.00 -0.11 0.00 0.00 41.96 39.71 3dmt s TYR 61 CO 0.76 0.56 1.63 -2.00 -1.11 0.00 0.00 175.55 175.40 3dmt s GLU 62 N -0.69 4.16 -0.16 -0.62 -6.30 -1.26 -4.95 118.70 108.88 3dmt s GLU 62 Ca 0.21 2.52 0.01 0.00 -2.50 0.00 0.00 54.97 55.20 3dmt s GLU 62 Cb -0.15 -3.08 0.00 0.00 0.00 0.00 0.00 34.13 30.90 3dmt s GLU 62 CO 0.09 -0.66 -0.17 0.08 0.02 0.00 0.00 175.26 174.62 3dmt s VAL 63 N 0.77 2.47 0.46 3.70 1.01 -1.26 -3.48 120.40 124.08 3dmt s VAL 63 Ca 0.70 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.90 3dmt s VAL 63 Cb -0.47 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3dmt s VAL 63 CO 0.37 0.52 0.13 -0.89 0.00 0.00 0.00 175.10 175.23 3dmt s THR 64 N 0.90 1.79 0.07 3.92 2.01 0.50 -4.94 115.64 119.88 3dmt s THR 64 Ca -0.04 -1.81 0.04 0.00 0.31 0.00 0.00 61.69 60.19 3dmt s THR 64 Cb -0.15 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 3dmt s THR 64 CO -0.02 0.00 -0.12 0.42 -0.69 0.00 0.00 174.62 174.21 3dmt s THR 65 N -2.73 0.96 0.25 -0.82 -4.23 -1.26 -0.63 115.64 107.17 3dmt s THR 65 Ca 0.28 -1.28 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 3dmt s THR 65 Cb 0.03 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.90 3dmt s THR 65 CO 0.16 -0.29 0.37 1.07 -0.54 0.00 0.00 174.62 175.38 3dmt n THR 66 N 1.26 0.00 -4.34 3.99 5.66 -0.02 -4.94 114.28 115.89 3dmt n THR 66 Ca -0.21 -1.17 -0.31 0.00 -3.05 0.00 0.00 64.05 59.31 3dmt n THR 66 Cb 0.55 0.75 -0.10 0.00 -1.55 0.00 0.00 70.33 69.98 3dmt n THR 66 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3dmt s LYS 67 N -2.49 2.38 0.29 1.09 1.02 -1.26 -1.49 119.74 119.28 3dmt s LYS 67 Ca 0.19 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.33 3dmt s LYS 67 Cb -0.01 -2.42 0.45 0.00 -0.52 0.00 0.00 37.83 35.33 3dmt s LYS 67 CO 0.14 0.56 1.82 0.66 -0.92 0.00 0.00 175.35 177.61 3dmt h SER 68 N 4.05 0.66 -4.86 2.83 4.64 -1.90 -3.45 113.55 115.52 3dmt h SER 68 Ca -0.48 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 60.67 3dmt h SER 68 Cb 1.17 -0.17 -0.19 0.00 -0.31 0.00 0.00 62.40 62.89 3dmt h SER 68 CO 0.54 0.71 0.25 -0.94 -0.87 0.00 0.00 176.83 176.51 3dmt s SER 69 N -6.65 -0.61 0.66 4.97 1.04 -1.26 -5.05 113.70 106.80 3dmt s SER 69 Ca -0.09 0.65 0.30 0.00 0.48 0.00 0.00 55.95 57.29 3dmt s SER 69 Cb 0.15 0.50 1.64 0.00 0.10 0.00 0.00 66.02 68.42 3dmt s SER 69 CO 0.79 -0.58 1.93 -0.65 0.98 0.00 0.00 173.24 175.71 3dmt h PRO 70 N 2.90 0.00 -0.97 4.02 0.11 -2.03 -0.08 132.00 135.95 3dmt h PRO 70 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3dmt h PRO 70 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dmt h PRO 70 CO 0.38 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.04 3dmt n SER 71 N -2.93 1.00 -4.62 -2.05 3.41 -1.26 -4.76 113.62 102.41 3dmt n SER 71 Ca -0.02 -1.94 -0.30 0.00 -0.26 0.00 0.00 58.87 56.35 3dmt n SER 71 Cb 0.39 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 3dmt n SER 71 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dmt s VAL 72 N -0.98 3.65 -0.08 -3.33 1.01 -0.04 -5.08 120.40 115.54 3dmt s VAL 72 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 3dmt s VAL 72 Cb 0.00 -2.69 -0.19 0.00 0.00 0.00 0.00 36.38 33.50 3dmt s VAL 72 CO 0.00 0.18 0.84 0.00 0.00 0.00 0.00 175.10 176.12 3dmt h ALA 73 N 3.78 -0.07 -2.17 5.51 0.00 -1.89 -3.46 119.26 120.96 3dmt h ALA 73 Ca -0.48 -0.31 -0.52 0.00 0.00 0.00 0.00 54.91 53.59 3dmt h ALA 73 Cb 1.17 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 3dmt h ALA 73 CO 0.55 -0.16 -0.73 0.15 0.00 0.00 0.00 179.25 179.07 3dmt s LYS 74 N -2.99 1.52 -0.23 0.00 1.02 -1.26 -5.09 119.74 112.71 3dmt s LYS 74 Ca -0.15 -1.71 -0.40 0.00 0.02 0.00 0.00 55.97 53.74 3dmt s LYS 74 Cb -0.01 -1.38 -0.16 0.00 -0.52 0.00 0.00 37.83 35.76 3dmt s LYS 74 CO 0.55 0.20 1.70 -0.25 -0.92 0.00 0.00 175.35 176.63 3dmt n ASP 75 N -0.53 2.30 -0.05 2.83 9.92 -1.26 -4.82 116.55 124.94 3dmt n ASP 75 Ca -0.06 1.08 0.06 0.00 -0.53 0.00 0.00 54.79 55.34 3dmt n ASP 75 Cb 0.61 -1.15 0.08 0.00 -0.64 0.00 0.00 41.12 40.03 3dmt n ASP 75 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3dmt n ASP 76 N 5.03 2.17 -3.74 -2.24 5.75 -0.56 -1.59 116.55 121.37 3dmt n ASP 76 Ca 0.26 -2.64 -0.17 0.00 -0.01 0.00 0.00 54.79 52.23 3dmt n ASP 76 Cb 0.14 -0.26 -0.17 0.00 -1.03 0.00 0.00 41.12 39.80 3dmt n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3dmt s THR 77 N -2.10 -0.08 0.33 2.12 2.01 -0.82 0.62 115.64 117.72 3dmt s THR 77 Ca 0.19 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.37 3dmt s THR 77 Cb 0.17 -0.11 -0.07 0.00 0.01 0.00 0.00 72.50 72.50 3dmt s THR 77 CO 0.02 0.12 0.68 -0.76 -0.69 0.00 0.00 174.62 173.99 3dmt s LEU 78 N 1.43 4.00 -0.23 4.42 2.01 0.19 -0.84 118.68 129.66 3dmt s LEU 78 Ca -0.05 1.06 -0.01 0.00 0.01 0.00 0.00 54.13 55.15 3dmt s LEU 78 Cb -0.13 -3.89 0.07 0.00 0.01 0.00 0.00 46.19 42.25 3dmt s LEU 78 CO -0.03 -0.25 0.02 -0.69 1.01 0.00 0.00 176.35 176.41 3dmt s VAL 79 N -2.11 0.93 -0.18 -1.59 1.01 0.20 -0.29 120.40 118.36 3dmt s VAL 79 Ca 0.50 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3dmt s VAL 79 Cb -0.10 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3dmt s VAL 79 CO 0.25 -0.29 -0.12 -0.69 0.00 0.00 0.00 175.10 174.26 3dmt s VAL 80 N 1.65 2.86 -1.53 2.92 1.01 0.15 -0.37 120.40 127.08 3dmt s VAL 80 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 3dmt s VAL 80 Cb -0.18 -2.24 0.08 0.00 0.00 0.00 0.00 36.38 34.04 3dmt s VAL 80 CO -0.11 0.49 0.79 -3.20 0.00 0.00 0.00 175.10 173.07 3dmt n ASN 81 N 4.39 -3.12 0.00 3.32 5.15 -1.23 -0.04 115.26 123.73 3dmt n ASN 81 Ca -0.19 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.90 3dmt n ASN 81 Cb 0.51 -3.45 0.00 0.00 -0.53 0.00 0.00 39.78 36.32 3dmt n ASN 81 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dmt n GLY 82 N -1.65 2.76 3.77 8.20 0.00 -1.26 -4.99 105.19 112.01 3dmt n GLY 82 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3dmt n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dmt s HIS 83 N -0.71 3.50 -0.18 1.61 5.04 0.94 -5.00 115.29 120.48 3dmt s HIS 83 Ca 0.00 1.70 -0.04 0.00 -1.54 0.00 0.00 55.06 55.18 3dmt s HIS 83 Cb 0.00 -3.18 -0.02 0.00 0.04 0.00 0.00 32.58 29.42 3dmt s HIS 83 CO 0.00 -0.46 -0.03 1.03 -2.34 0.00 0.00 174.74 172.94 3dmt s ARG 84 N -1.86 3.58 -0.18 2.88 0.52 -1.26 0.30 118.95 122.93 3dmt s ARG 84 Ca 0.50 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 3dmt s ARG 84 Cb -0.27 -2.97 0.02 0.00 0.52 0.00 0.00 34.95 32.25 3dmt s ARG 84 CO 0.34 0.08 -0.19 0.42 0.02 0.00 0.00 175.30 175.97 3dmt s ILE 85 N 0.79 2.03 0.20 1.52 1.09 0.60 -4.71 121.20 122.73 3dmt s ILE 85 Ca -0.01 -0.96 -0.30 0.00 -1.10 0.00 0.00 60.65 58.29 3dmt s ILE 85 Cb -0.14 -1.86 -0.08 0.00 -1.06 0.00 0.00 42.46 39.32 3dmt s ILE 85 CO 0.02 0.51 1.01 -0.22 -0.10 0.00 0.00 174.94 176.15 3dmt s LEU 86 N 1.29 4.56 -0.51 2.97 2.96 -0.83 0.57 118.68 129.70 3dmt s LEU 86 Ca 0.04 1.99 -0.20 0.00 -0.22 0.00 0.00 54.13 55.75 3dmt s LEU 86 Cb -0.13 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.01 3dmt s LEU 86 CO -0.12 -0.03 0.66 0.00 -1.32 0.00 0.00 176.35 175.54 3dmt s VAL 88 N 2.76 4.95 0.11 0.00 -7.23 -1.05 -4.81 120.40 115.14 3dmt s VAL 88 Ca 0.16 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 3dmt s VAL 88 Cb -0.19 -3.81 -0.06 0.00 0.56 0.00 0.00 36.38 32.88 3dmt s VAL 88 CO 0.12 -0.61 1.04 -0.54 -0.31 0.00 0.00 175.10 174.80 3dmt s LYS 89 N -4.22 4.61 0.73 4.82 1.02 -1.26 -4.30 119.74 121.15 3dmt s LYS 89 Ca 0.46 1.58 -0.16 0.00 0.02 0.00 0.00 55.97 57.86 3dmt s LYS 89 Cb -0.10 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3dmt s LYS 89 CO 0.37 0.08 0.48 0.00 -0.92 0.00 0.00 175.35 175.36 3dmt n ALA 90 N 2.92 -1.68 -2.94 5.17 0.00 -1.00 -4.98 120.51 118.00 3dmt n ALA 90 Ca 0.04 -0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 3dmt n ALA 90 Cb 0.48 -1.83 -0.15 0.00 0.00 0.00 0.00 19.45 17.95 3dmt n ALA 90 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dmt s GLN 91 N -2.75 0.94 0.51 0.00 -1.52 -1.26 -4.99 119.66 110.59 3dmt s GLN 91 Ca 0.64 -0.32 0.17 0.00 -1.95 0.00 0.00 55.36 53.90 3dmt s GLN 91 Cb -0.34 -0.88 1.27 0.00 -0.22 0.00 0.00 33.01 32.84 3dmt s GLN 91 CO 0.59 0.14 2.13 -0.09 -0.25 0.00 0.00 175.29 177.81 3dmt h ARG 92 N 6.27 0.00 -4.71 2.91 2.43 -2.00 -3.39 114.38 115.89 3dmt h ARG 92 Ca -0.33 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.20 3dmt h ARG 92 Cb 1.17 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 30.35 3dmt h ARG 92 CO 0.49 0.04 -0.81 1.21 -1.51 0.00 0.00 179.97 179.39 3dmt s ASN 93 N -6.95 3.90 0.45 -3.80 3.84 -1.26 -5.01 114.94 106.11 3dmt s ASN 93 Ca -0.05 -1.14 0.26 0.00 0.21 0.00 0.00 52.86 52.15 3dmt s ASN 93 Cb 0.16 -1.38 1.30 0.00 -0.55 0.00 0.00 41.25 40.78 3dmt s ASN 93 CO 0.66 -0.17 1.76 -0.65 -2.79 0.00 0.00 177.10 175.92 3dmt h PRO 94 N 7.88 0.21 -0.03 0.43 0.11 -1.84 0.60 132.00 139.35 3dmt h PRO 94 Ca -0.24 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.87 3dmt h PRO 94 Cb 1.07 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3dmt h PRO 94 CO 0.47 0.14 0.18 0.00 -0.21 0.00 0.00 178.00 178.58 3dmt h ALA 95 N 1.54 1.29 -0.25 -0.75 0.00 -1.84 -2.43 119.26 116.82 3dmt h ALA 95 Ca 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3dmt h ALA 95 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3dmt h ALA 95 CO -0.21 -0.20 0.00 -0.25 0.00 0.00 0.00 179.25 178.59 3dmt n ASP 96 N -3.13 2.51 -4.76 0.00 8.00 0.20 -3.92 116.55 115.45 3dmt n ASP 96 Ca -0.02 -1.85 -0.40 0.00 0.71 0.00 0.00 54.79 53.24 3dmt n ASP 96 Cb 0.25 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 3dmt n ASP 96 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dmt s LEU 97 N -1.57 4.59 -1.12 0.64 2.01 -0.91 -4.97 118.68 117.35 3dmt s LEU 97 Ca 0.35 1.71 -0.05 0.00 0.01 0.00 0.00 54.13 56.14 3dmt s LEU 97 Cb 0.20 -3.38 0.08 0.00 0.01 0.00 0.00 46.19 43.09 3dmt s LEU 97 CO 0.29 0.16 2.56 -0.81 1.01 0.00 0.00 176.35 179.56 3dmt n PRO 98 N 1.76 3.97 -0.08 1.29 -0.04 -1.26 -4.46 135.00 136.18 3dmt n PRO 98 Ca -0.04 -3.04 -0.10 0.00 -0.04 0.00 0.00 63.50 60.28 3dmt n PRO 98 Cb 0.48 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 3dmt n PRO 98 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3dmt h TRP 99 N 4.23 0.40 0.04 0.54 -0.00 -1.62 -1.68 115.95 117.87 3dmt h TRP 99 Ca 0.64 -0.03 0.01 0.00 -0.00 0.00 0.00 58.89 59.50 3dmt h TRP 99 Cb 0.43 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.46 3dmt h TRP 99 CO 1.61 0.40 -0.06 0.78 -0.00 0.00 0.00 178.44 181.16 3dmt h GLY 100 N 0.28 -0.11 0.71 1.49 0.00 -0.28 0.19 103.07 105.35 3dmt h GLY 100 Ca 0.09 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.55 3dmt h GLY 100 CO -0.01 -0.07 0.37 1.70 0.00 0.00 0.00 176.54 178.54 3dmt h LYS 101 N -0.14 0.68 0.00 4.80 3.64 -1.78 -0.69 116.57 123.08 3dmt h LYS 101 Ca 0.01 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3dmt h LYS 101 Cb 0.14 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3dmt h LYS 101 CO -0.04 0.45 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.32 3dmt h LEU 102 N 0.70 0.00 0.00 5.20 3.38 -0.91 -3.46 115.31 120.21 3dmt h LEU 102 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3dmt h LEU 102 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3dmt h LEU 102 CO -0.17 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3dmt n GLY 103 N -0.80 0.55 3.64 0.83 0.00 0.57 -5.03 105.19 104.94 3dmt n GLY 103 Ca -0.02 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 3dmt n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmt s VAL 104 N -2.00 4.46 -0.15 1.61 1.01 -0.68 -4.73 120.40 119.92 3dmt s VAL 104 Ca 0.00 1.67 0.20 0.00 0.00 0.00 0.00 61.98 63.85 3dmt s VAL 104 Cb 0.00 -4.41 -0.13 0.00 0.00 0.00 0.00 36.38 31.84 3dmt s VAL 104 CO 0.00 -0.51 0.79 -1.84 0.00 0.00 0.00 175.10 173.54 3dmt n GLU 105 N 6.96 0.63 -4.10 2.72 0.28 -0.82 -3.91 120.64 122.39 3dmt n GLU 105 Ca 0.12 0.11 -0.33 0.00 -0.16 0.00 0.00 57.16 56.90 3dmt n GLU 105 Cb 0.47 -1.75 -0.16 0.00 1.43 0.00 0.00 31.44 31.44 3dmt n GLU 105 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3dmt s TYR 106 N -3.14 2.91 -0.23 -1.84 1.51 -0.74 -0.76 117.35 115.05 3dmt s TYR 106 Ca -0.03 -1.81 -0.08 0.00 -1.01 0.00 0.00 57.07 54.13 3dmt s TYR 106 Cb 0.10 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 3dmt s TYR 106 CO 0.82 -0.82 0.10 0.08 -1.11 0.00 0.00 175.55 174.61 3dmt s VAL 107 N 1.24 4.71 -0.36 0.71 1.01 0.62 -0.52 120.40 127.81 3dmt s VAL 107 Ca 0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 3dmt s VAL 107 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3dmt s VAL 107 CO -0.11 0.36 0.63 -0.63 0.00 0.00 0.00 175.10 175.35 3dmt s ILE 108 N 1.22 4.89 -0.68 2.22 1.01 0.17 -0.35 121.20 129.68 3dmt s ILE 108 Ca 0.05 0.53 -0.17 0.00 0.00 0.00 0.00 60.65 61.07 3dmt s ILE 108 Cb -0.14 -4.08 0.15 0.00 0.01 0.00 0.00 42.46 38.40 3dmt s ILE 108 CO 0.04 -0.33 0.70 -0.70 0.00 0.00 0.00 174.94 174.66 3dmt s GLU 109 N 2.69 3.24 -0.12 2.79 2.56 -0.07 -0.39 118.70 129.41 3dmt s GLU 109 Ca 0.24 -1.81 0.17 0.00 0.00 0.00 0.00 54.97 53.57 3dmt s GLU 109 Cb -0.14 -4.39 0.26 0.00 2.00 0.00 0.00 34.13 31.86 3dmt s GLU 109 CO 0.15 -1.43 1.13 -1.13 -0.56 0.00 0.00 175.26 173.42 3dmt n SER 110 N 5.36 2.30 0.05 -1.70 3.41 0.98 -0.62 113.62 123.39 3dmt n SER 110 Ca -0.01 -2.98 -0.09 0.00 -0.26 0.00 0.00 58.87 55.54 3dmt n SER 110 Cb 0.44 -0.39 0.05 0.00 -0.26 0.00 0.00 64.21 64.05 3dmt n SER 110 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3dmt h THR 111 N 0.06 1.37 0.00 6.66 1.35 -1.61 -3.41 112.91 117.33 3dmt h THR 111 Ca 0.00 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 3dmt h THR 111 Cb 0.96 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3dmt h THR 111 CO 0.00 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 3dmt n GLY 112 N 0.44 0.73 0.01 5.82 0.00 -1.26 -4.91 105.19 106.02 3dmt n GLY 112 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3dmt n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dmt n LEU 113 N 0.00 0.08 -2.24 0.99 4.32 -1.26 -4.61 117.00 114.28 3dmt n LEU 113 Ca 0.00 -0.05 -0.18 0.00 -0.02 0.00 0.00 56.01 55.75 3dmt n LEU 113 Cb 0.00 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 3dmt n LEU 113 CO 0.00 0.02 0.13 0.49 -1.22 0.00 0.00 177.39 176.81 3dmt n PHE 114 N -2.01 2.42 0.18 -1.77 3.72 -1.26 -4.74 117.46 113.99 3dmt n PHE 114 Ca -0.02 -2.26 0.04 0.00 -0.05 0.00 0.00 57.45 55.16 3dmt n PHE 114 Cb 0.42 -0.30 0.30 0.00 -0.94 0.00 0.00 39.48 38.96 3dmt n PHE 114 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3dmt h THR 115 N 2.99 1.00 -2.33 4.37 1.35 -1.86 -3.28 112.91 115.15 3dmt h THR 115 Ca 0.24 -1.64 -0.54 0.00 -0.55 0.00 0.00 66.41 63.93 3dmt h THR 115 Cb 1.44 1.97 0.02 0.00 -1.73 0.00 0.00 68.15 69.85 3dmt h THR 115 CO 0.63 0.41 1.26 0.00 -0.25 0.00 0.00 175.52 177.58 3dmt s ALA 116 N -3.61 3.49 0.26 6.62 0.00 -1.26 -1.91 121.76 125.35 3dmt s ALA 116 Ca -0.00 1.28 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 3dmt s ALA 116 Cb 0.11 -3.87 0.51 0.00 0.00 0.00 0.00 23.12 19.87 3dmt s ALA 116 CO 0.70 -1.70 1.79 -0.22 0.00 0.00 0.00 175.76 176.33 3dmt h LYS 117 N 11.07 0.71 -0.54 0.00 3.64 -0.62 -1.00 116.57 129.83 3dmt h LYS 117 Ca -0.49 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 58.96 3dmt h LYS 117 Cb 1.24 -0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.80 3dmt h LYS 117 CO 0.94 0.47 -0.06 0.00 -2.27 0.00 0.00 179.45 178.53 3dmt h ALA 118 N 1.53 0.45 0.03 5.00 0.00 -1.89 0.77 119.26 125.16 3dmt h ALA 118 Ca 0.46 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 3dmt h ALA 118 Cb 0.56 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3dmt h ALA 118 CO -0.32 -0.41 -0.02 0.00 0.00 0.00 0.00 179.25 178.50 3dmt h ALA 119 N 1.51 -0.04 0.00 0.00 0.00 -1.54 -3.17 119.26 116.02 3dmt h ALA 119 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dmt h ALA 119 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dmt h ALA 119 CO -0.51 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.26 3dmt h ALA 120 N 0.85 1.00 0.00 0.00 0.00 -0.02 0.25 119.26 121.34 3dmt h ALA 120 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dmt h ALA 120 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dmt h ALA 120 CO 0.01 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.65 3dmt n GLU 121 N -2.62 0.04 -0.25 0.00 1.02 0.15 -3.42 120.64 115.55 3dmt n GLU 121 Ca -0.01 0.07 0.04 0.00 -0.02 0.00 0.00 57.16 57.24 3dmt n GLU 121 Cb 0.14 -1.55 0.14 0.00 -0.02 0.00 0.00 31.44 30.14 3dmt n GLU 121 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3dmt h GLY 122 N 4.53 0.75 0.46 0.62 0.00 -0.59 -1.04 103.07 107.80 3dmt h GLY 122 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.58 3dmt h GLY 122 CO 0.00 -0.28 0.49 0.45 0.00 0.00 0.00 176.54 177.20 3dmt h HIS 123 N 0.07 0.88 -0.09 5.60 3.86 -1.66 -0.51 115.15 123.31 3dmt h HIS 123 Ca 0.39 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.57 3dmt h HIS 123 Cb 0.67 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3dmt h HIS 123 CO -0.46 0.33 -0.22 -0.07 0.86 0.00 0.00 177.93 178.37 3dmt h LEU 124 N 0.79 0.14 -1.30 2.43 4.07 -1.44 -1.40 115.31 118.59 3dmt h LEU 124 Ca 0.43 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.29 3dmt h LEU 124 Cb 0.44 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 3dmt h LEU 124 CO -0.27 0.37 -0.19 0.03 -1.08 0.00 0.00 178.44 177.30 3dmt h ARG 125 N 0.13 0.24 -0.00 1.13 3.08 -0.21 -3.02 114.38 115.73 3dmt h ARG 125 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3dmt h ARG 125 Cb 0.47 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3dmt h ARG 125 CO 0.03 0.43 -0.02 0.41 -1.07 0.00 0.00 179.97 179.74 3dmt n GLY 126 N -0.73 -1.01 0.00 0.04 0.00 -0.50 -4.92 105.19 98.07 3dmt n GLY 126 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3dmt n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dmt n GLY 127 N 1.16 1.60 3.52 -0.02 0.00 -0.94 0.35 105.19 110.87 3dmt n GLY 127 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3dmt n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmt s ALA 128 N -2.02 -0.26 -0.10 4.61 0.00 -0.85 -4.24 121.76 118.91 3dmt s ALA 128 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.75 3dmt s ALA 128 Cb 0.00 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 3dmt s ALA 128 CO 0.00 -3.69 -0.08 0.54 0.00 0.00 0.00 175.76 172.53 3dmt n ARG 129 N -4.80 0.58 -4.52 0.00 1.74 0.06 -4.49 116.66 105.23 3dmt n ARG 129 Ca 0.03 0.05 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 3dmt n ARG 129 Cb 0.55 -1.21 -0.14 0.00 -1.02 0.00 0.00 32.46 30.64 3dmt n ARG 129 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3dmt s LYS 130 N -2.21 1.06 0.01 5.56 -0.14 -0.11 -4.80 119.74 119.11 3dmt s LYS 130 Ca -0.13 -0.63 0.08 0.00 -1.36 0.00 0.00 55.97 53.93 3dmt s LYS 130 Cb 0.04 -1.05 -0.03 0.00 -1.68 0.00 0.00 37.83 35.11 3dmt s LYS 130 CO 0.26 0.27 -0.24 0.08 -0.76 0.00 0.00 175.35 174.97 3dmt s VAL 131 N -0.57 2.31 -0.27 3.17 1.01 0.14 -0.28 120.40 125.92 3dmt s VAL 131 Ca 0.04 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.84 3dmt s VAL 131 Cb -0.07 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.49 3dmt s VAL 131 CO 0.00 0.46 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 3dmt s VAL 132 N -0.75 2.37 -0.19 2.92 1.01 0.52 -0.77 120.40 125.51 3dmt s VAL 132 Ca 0.12 -1.54 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 3dmt s VAL 132 Cb -0.10 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3dmt s VAL 132 CO 0.01 -0.02 1.00 -0.63 0.00 0.00 0.00 175.10 175.46 3dmt s ILE 133 N 1.15 4.74 0.00 2.22 1.01 0.22 -0.89 121.20 129.64 3dmt s ILE 133 Ca -0.08 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.54 3dmt s ILE 133 Cb -0.20 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 37.99 3dmt s ILE 133 CO -0.04 -0.10 1.94 -1.54 0.00 0.00 0.00 174.94 175.19 3dmt n SER 134 N 5.85 5.21 -3.61 3.58 3.41 0.21 -1.27 113.62 126.98 3dmt n SER 134 Ca 0.10 -2.38 -0.06 0.00 -0.26 0.00 0.00 58.87 56.27 3dmt n SER 134 Cb 0.47 -1.09 -0.02 0.00 -0.26 0.00 0.00 64.21 63.31 3dmt n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dmt s ALA 135 N 0.00 -1.77 0.32 7.33 0.00 -1.21 -4.94 121.76 121.49 3dmt s ALA 135 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 3dmt s ALA 135 Cb 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 23.12 23.51 3dmt s ALA 135 CO 0.00 -0.85 1.46 -2.30 0.00 0.00 0.00 175.76 174.07 3dmt n PRO 136 N -0.35 2.44 -2.91 0.00 -0.02 -1.17 -3.89 135.00 129.10 3dmt n PRO 136 Ca -0.08 0.86 -0.21 0.00 -2.02 0.00 0.00 63.50 62.06 3dmt n PRO 136 Cb 0.61 -2.56 0.07 0.00 -0.02 0.00 0.00 33.50 31.61 3dmt n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dmt s ALA 137 N -0.58 4.44 -0.03 3.55 0.00 -1.26 -4.78 121.76 123.09 3dmt s ALA 137 Ca 0.60 -2.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.45 3dmt s ALA 137 Cb -0.54 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 20.99 3dmt s ALA 137 CO 0.56 -1.01 0.20 -1.54 0.00 0.00 0.00 175.76 173.98 3dmt s SER 138 N -4.68 -0.11 0.00 0.00 1.04 -0.80 -4.92 113.70 104.23 3dmt s SER 138 Ca 0.63 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3dmt s SER 138 Cb -0.06 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3dmt s SER 138 CO 0.40 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.96 3dmt n GLY 139 N 1.99 1.65 1.66 7.32 0.00 -1.26 0.06 105.19 116.61 3dmt n GLY 139 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3dmt n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dmt n GLY 140 N -1.13 0.78 3.65 -0.02 0.00 -1.26 -4.82 105.19 102.39 3dmt n GLY 140 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3dmt n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmt n ALA 141 N -0.22 0.85 -1.78 4.61 0.00 -1.26 -4.86 120.51 117.84 3dmt n ALA 141 Ca 0.00 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 3dmt n ALA 141 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.13 3dmt n ALA 141 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3dmt s LYS 142 N 0.84 4.16 -0.08 0.00 2.47 -1.25 -4.64 119.74 121.23 3dmt s LYS 142 Ca 0.80 2.50 -0.18 0.00 -1.56 0.00 0.00 55.97 57.53 3dmt s LYS 142 Cb -0.74 -3.88 -0.05 0.00 -1.46 0.00 0.00 37.83 31.70 3dmt s LYS 142 CO 0.40 -0.87 0.48 0.99 0.16 0.00 0.00 175.35 176.51 3dmt s THR 143 N 3.61 5.13 -0.07 3.43 2.01 -1.26 -0.51 115.64 127.98 3dmt s THR 143 Ca 0.82 0.96 0.01 0.00 0.31 0.00 0.00 61.69 63.80 3dmt s THR 143 Cb -0.42 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.30 3dmt s THR 143 CO 0.37 0.38 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.83 3dmt s LEU 144 N 0.23 1.47 -0.25 4.42 1.43 0.95 -4.87 118.68 122.05 3dmt s LEU 144 Ca 0.26 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3dmt s LEU 144 Cb -0.16 -0.72 0.04 0.00 0.03 0.00 0.00 46.19 45.38 3dmt s LEU 144 CO 0.12 -0.02 -0.09 -0.69 0.23 0.00 0.00 176.35 175.90 3dmt s VAL 145 N 0.92 2.52 0.12 -1.59 1.01 -1.26 -4.16 120.40 117.97 3dmt s VAL 145 Ca -0.10 -1.31 -0.35 0.00 0.00 0.00 0.00 61.98 60.22 3dmt s VAL 145 Cb -0.15 -2.36 -0.16 0.00 0.00 0.00 0.00 36.38 33.72 3dmt s VAL 145 CO 0.01 0.10 1.41 0.23 0.00 0.00 0.00 175.10 176.86 3dmt n MET 146 N 4.56 1.54 -0.25 2.72 2.81 -1.26 -0.63 117.12 126.61 3dmt n MET 146 Ca -0.16 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 3dmt n MET 146 Cb 0.45 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.73 3dmt n MET 146 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dmt n GLY 147 N 2.78 1.76 0.75 3.03 0.00 -1.26 -4.81 105.19 107.44 3dmt n GLY 147 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 3dmt n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dmt n VAL 148 N -2.00 0.75 -1.38 1.61 0.31 0.20 -4.92 118.33 112.90 3dmt n VAL 148 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3dmt n VAL 148 Cb 0.00 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 3dmt n VAL 148 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3dmt n ASN 149 N -3.51 0.00 0.30 4.52 6.94 -0.69 -4.91 115.26 117.91 3dmt n ASN 149 Ca -0.12 -1.00 0.18 0.00 -0.02 0.00 0.00 54.58 53.62 3dmt n ASN 149 Cb 0.46 0.00 1.01 0.00 -2.36 0.00 0.00 39.78 38.89 3dmt n ASN 149 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3dmt h HIS 150 N 0.00 0.00 0.00 -2.53 2.07 -1.88 0.15 115.15 112.96 3dmt h HIS 150 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3dmt h HIS 150 Cb 0.88 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.86 3dmt h HIS 150 CO 0.00 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.58 3dmt n HIS 151 N -3.56 0.00 1.98 6.12 8.25 -1.26 -1.76 115.22 124.99 3dmt n HIS 151 Ca -0.03 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.44 3dmt n HIS 151 Cb 0.11 -0.44 0.06 0.00 1.12 0.00 0.00 29.99 30.83 3dmt n HIS 151 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dmt n GLU 152 N -1.44 0.99 -2.27 -0.41 1.02 0.51 -4.78 120.64 114.26 3dmt n GLU 152 Ca 0.05 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 3dmt n GLU 152 Cb 0.17 -1.03 -0.02 0.00 -0.02 0.00 0.00 31.44 30.53 3dmt n GLU 152 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3dmt s TYR 153 N -2.00 2.45 -0.45 -0.32 5.04 -0.72 -4.96 117.35 116.39 3dmt s TYR 153 Ca 0.03 0.72 -0.09 0.00 -2.44 0.00 0.00 57.07 55.29 3dmt s TYR 153 Cb 0.01 -3.83 0.11 0.00 0.35 0.00 0.00 41.96 38.60 3dmt s TYR 153 CO 0.02 -2.36 0.31 1.21 -1.34 0.00 0.00 175.55 173.39 3dmt s ASN 154 N 3.11 5.65 0.25 4.32 3.04 -1.26 -4.98 114.94 125.07 3dmt s ASN 154 Ca 0.63 -1.78 -0.03 0.00 0.04 0.00 0.00 52.86 51.71 3dmt s ASN 154 Cb -0.23 -1.99 0.52 0.00 -1.54 0.00 0.00 41.25 38.01 3dmt s ASN 154 CO 0.24 -0.63 1.69 -0.65 -3.04 0.00 0.00 177.10 174.70 3dmt h PRO 155 N 8.41 0.31 0.00 0.43 0.11 -1.88 0.67 132.00 140.04 3dmt h PRO 155 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3dmt h PRO 155 Cb 1.07 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3dmt h PRO 155 CO 0.82 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 179.47 3dmt h SER 156 N 0.31 0.00 0.00 -2.05 4.64 -1.95 -3.33 113.55 111.17 3dmt h SER 156 Ca 0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3dmt h SER 156 Cb 0.78 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3dmt h SER 156 CO -0.51 0.00 -1.01 1.21 -0.87 0.00 0.00 176.83 175.65 3dmt n GLU 157 N -2.51 2.33 -3.98 4.77 4.07 -0.43 -4.99 120.64 119.89 3dmt n GLU 157 Ca 0.02 -0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.78 3dmt n GLU 157 Cb 0.28 -1.01 -0.14 0.00 -0.06 0.00 0.00 31.44 30.51 3dmt n GLU 157 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 3dmt s HIS 158 N -2.01 3.13 0.00 4.31 3.76 0.22 -4.90 115.29 119.80 3dmt s HIS 158 Ca -0.00 -1.80 0.00 0.00 -0.15 0.00 0.00 55.06 53.11 3dmt s HIS 158 Cb 0.00 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.66 3dmt s HIS 158 CO 0.01 -0.79 0.00 0.72 -0.85 0.00 0.00 174.74 173.83 3dmt n HIS 159 N 4.60 0.00 -3.86 1.40 8.25 -1.26 -4.65 115.22 119.71 3dmt n HIS 159 Ca -0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.95 3dmt n HIS 159 Cb 0.45 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.43 3dmt n HIS 159 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dmt s VAL 160 N -1.89 3.23 0.17 1.59 1.01 -1.26 0.27 120.40 123.52 3dmt s VAL 160 Ca 0.00 -1.32 0.10 0.00 0.00 0.00 0.00 61.98 60.76 3dmt s VAL 160 Cb 0.00 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3dmt s VAL 160 CO 0.00 -0.14 -0.19 0.68 0.00 0.00 0.00 175.10 175.45 3dmt s VAL 161 N 1.29 2.64 -0.12 2.92 -7.23 0.05 -3.82 120.40 116.14 3dmt s VAL 161 Ca -0.04 -1.84 -0.05 0.00 -1.81 0.00 0.00 61.98 58.25 3dmt s VAL 161 Cb -0.20 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 3dmt s VAL 161 CO 0.00 -0.07 0.06 -0.55 -0.31 0.00 0.00 175.10 174.23 3dmt s SER 162 N -2.60 5.67 -0.12 4.85 0.15 0.34 0.69 113.70 122.69 3dmt s SER 162 Ca 0.21 0.23 0.07 0.00 0.70 0.00 0.00 55.95 57.16 3dmt s SER 162 Cb -0.09 -1.76 0.43 0.00 -1.71 0.00 0.00 66.02 62.89 3dmt s SER 162 CO 0.11 0.35 1.16 -3.20 1.20 0.00 0.00 173.24 172.86 3dmt n ASN 163 N 2.39 3.50 -0.27 5.45 5.15 -0.40 -0.04 115.26 131.04 3dmt n ASN 163 Ca -0.19 -2.49 0.00 0.00 -0.60 0.00 0.00 54.58 51.30 3dmt n ASN 163 Cb 0.54 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 3dmt n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dmt n ALA 164 N 0.33 0.00 -2.22 5.20 0.00 -1.25 -4.80 120.51 117.77 3dmt n ALA 164 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.40 3dmt n ALA 164 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.20 3dmt n ALA 164 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dmt s SER 165 N -4.00 5.66 0.26 0.00 1.04 -1.26 -3.02 113.70 112.38 3dmt s SER 165 Ca 0.00 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.01 3dmt s SER 165 Cb 0.00 -0.86 0.39 0.00 0.10 0.00 0.00 66.02 65.65 3dmt s SER 165 CO 0.00 -0.61 1.87 0.00 0.98 0.00 0.00 173.24 175.48 3dmt h THR 167 N 1.10 1.30 -0.83 0.00 2.02 -1.94 -1.33 112.91 113.22 3dmt h THR 167 Ca 0.42 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3dmt h THR 167 Cb 0.19 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 3dmt h THR 167 CO -0.18 0.37 0.49 0.74 0.37 0.00 0.00 175.52 177.31 3dmt h THR 168 N 0.27 1.23 0.00 3.16 2.02 -1.76 0.32 112.91 118.15 3dmt h THR 168 Ca 0.06 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3dmt h THR 168 Cb 0.61 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3dmt h THR 168 CO 0.04 0.25 0.00 0.78 0.37 0.00 0.00 175.52 176.95 3dmt h ASN 169 N 1.14 0.00 0.07 4.18 2.35 -0.93 0.46 115.58 122.85 3dmt h ASN 169 Ca 0.30 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.76 3dmt h ASN 169 Cb -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3dmt h ASN 169 CO -0.05 0.00 -1.52 0.00 -1.65 0.00 0.00 177.43 174.20 3dmt h LEU 171 N -0.46 0.14 -0.73 0.00 6.46 -0.06 -3.34 115.31 117.33 3dmt h LEU 171 Ca -0.36 -0.61 0.05 0.00 -0.12 0.00 0.00 57.88 56.84 3dmt h LEU 171 Cb 1.66 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.50 3dmt h LEU 171 CO -0.04 0.73 0.44 0.00 -0.62 0.00 0.00 178.44 178.95 3dmt h ALA 172 N 0.41 0.98 -0.99 1.25 0.00 -0.30 0.17 119.26 120.78 3dmt h ALA 172 Ca -0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3dmt h ALA 172 Cb 0.71 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 3dmt h ALA 172 CO 0.02 0.16 0.65 -1.35 0.00 0.00 0.00 179.25 178.73 3dmt h PRO 173 N 0.82 1.16 -0.01 0.00 0.11 -1.77 0.38 132.00 132.69 3dmt h PRO 173 Ca 0.32 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 3dmt h PRO 173 Cb 0.13 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 3dmt h PRO 173 CO -0.16 0.77 0.01 0.82 -0.21 0.00 0.00 178.00 179.23 3dmt h ILE 174 N 1.20 1.08 -0.32 4.15 1.08 -1.13 -2.08 117.51 121.48 3dmt h ILE 174 Ca 0.42 -0.22 -0.11 0.00 -0.39 0.00 0.00 64.86 64.55 3dmt h ILE 174 Cb 0.11 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 3dmt h ILE 174 CO -0.15 0.06 -0.27 0.58 -0.69 0.00 0.00 178.15 177.68 3dmt h VAL 175 N -0.08 1.28 -0.40 1.67 2.07 -0.69 -1.63 116.25 118.47 3dmt h VAL 175 Ca 0.00 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.18 3dmt h VAL 175 Cb 0.09 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3dmt h VAL 175 CO -0.00 0.44 0.23 -0.74 0.02 0.00 0.00 177.57 177.53 3dmt h HIS 176 N 0.56 0.44 -0.70 1.57 -0.00 -0.17 -0.19 115.15 116.65 3dmt h HIS 176 Ca 0.07 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.41 3dmt h HIS 176 Cb 0.75 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.99 3dmt h HIS 176 CO 0.03 0.25 0.24 0.28 -0.00 0.00 0.00 177.93 178.73 3dmt h VAL 177 N 0.47 1.25 -0.21 5.26 2.07 -0.98 0.36 116.25 124.48 3dmt h VAL 177 Ca 0.16 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.85 3dmt h VAL 177 Cb 0.01 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3dmt h VAL 177 CO -0.08 0.34 0.06 -0.07 0.02 0.00 0.00 177.57 177.84 3dmt h LEU 178 N 1.02 0.05 0.59 2.57 3.38 -0.87 0.14 115.31 122.20 3dmt h LEU 178 Ca 0.23 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3dmt h LEU 178 Cb 0.28 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dmt h LEU 178 CO -0.01 0.06 -0.29 0.58 0.09 0.00 0.00 178.44 178.87 3dmt h VAL 179 N 0.15 0.37 -0.66 1.22 2.07 -0.94 -0.76 116.25 117.69 3dmt h VAL 179 Ca 0.09 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3dmt h VAL 179 Cb 0.07 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3dmt h VAL 179 CO -0.11 0.02 0.44 0.11 0.02 0.00 0.00 177.57 178.06 3dmt h LYS 180 N -0.92 0.87 0.00 1.57 6.56 -0.15 -1.21 116.57 123.30 3dmt h LYS 180 Ca -0.08 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 3dmt h LYS 180 Cb 0.65 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 3dmt h LYS 180 CO 0.13 0.58 0.00 0.39 -2.06 0.00 0.00 179.45 178.49 3dmt n GLU 181 N -4.43 0.19 -0.51 3.15 -0.58 0.48 -4.91 120.64 114.02 3dmt n GLU 181 Ca 0.07 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 3dmt n GLU 181 Cb 0.04 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 3dmt n GLU 181 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dmt n GLY 182 N 0.85 0.74 0.30 0.62 0.00 -0.46 -4.92 105.19 102.34 3dmt n GLY 182 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3dmt n GLY 182 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3dmt h PHE 183 N 0.00 1.11 -0.74 1.61 0.04 -1.37 -3.45 116.94 114.15 3dmt h PHE 183 Ca 0.00 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.72 3dmt h PHE 183 Cb 0.00 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.81 3dmt h PHE 183 CO 0.00 0.92 -0.20 0.41 -0.60 0.00 0.00 178.31 178.84 3dmt n GLY 184 N -0.64 -2.10 2.62 -1.45 0.00 -0.90 -1.02 105.19 101.71 3dmt n GLY 184 Ca 0.04 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 3dmt n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmt s VAL 185 N -2.27 0.10 0.01 1.61 1.01 -1.26 -3.59 120.40 116.02 3dmt s VAL 185 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 3dmt s VAL 185 Cb 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 3dmt s VAL 185 CO 0.00 -0.43 1.03 1.56 0.00 0.00 0.00 175.10 177.26 3dmt h GLN 186 N 8.36 -0.55 -3.91 2.72 4.20 -0.97 -3.46 115.11 121.50 3dmt h GLN 186 Ca -0.17 0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.48 3dmt h GLN 186 Cb 1.09 0.12 -0.14 0.00 0.30 0.00 0.00 27.48 28.86 3dmt h GLN 186 CO 0.36 -0.37 -0.42 0.95 -0.67 0.00 0.00 178.83 178.69 3dmt s THR 187 N -3.89 0.14 -0.06 -0.54 -4.23 -1.24 -4.81 115.64 101.01 3dmt s THR 187 Ca -0.08 -1.33 -0.18 0.00 -1.18 0.00 0.00 61.69 58.92 3dmt s THR 187 Cb 0.01 -1.48 0.04 0.00 1.34 0.00 0.00 72.50 72.41 3dmt s THR 187 CO 0.25 -0.63 0.41 -0.83 -0.54 0.00 0.00 174.62 173.28 3dmt s GLY 188 N -2.89 -0.27 -0.07 3.99 0.00 0.26 0.22 107.32 108.55 3dmt s GLY 188 Ca 0.08 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.57 3dmt s GLY 188 CO -0.09 0.52 -0.12 1.08 0.00 0.00 0.00 173.10 174.50 3dmt s LEU 189 N -0.87 1.61 0.06 0.66 1.43 0.17 -2.52 118.68 119.22 3dmt s LEU 189 Ca -0.09 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 3dmt s LEU 189 Cb -0.04 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 3dmt s LEU 189 CO 0.04 0.02 -0.18 0.00 0.23 0.00 0.00 176.35 176.46 3dmt s MET 190 N 0.75 2.01 -0.08 1.70 0.23 -0.26 -0.52 119.30 123.12 3dmt s MET 190 Ca -0.13 -1.03 0.05 0.00 -1.03 0.00 0.00 55.69 53.55 3dmt s MET 190 Cb -0.16 -2.17 -0.01 0.00 -1.53 0.00 0.00 34.83 30.97 3dmt s MET 190 CO 0.03 0.53 -0.23 0.99 -2.03 0.00 0.00 175.02 174.30 3dmt s THR 191 N -0.98 2.17 -0.21 3.16 2.01 -0.01 -0.89 115.64 120.89 3dmt s THR 191 Ca 0.15 -1.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 3dmt s THR 191 Cb -0.11 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 3dmt s THR 191 CO 0.06 0.56 0.12 0.28 -0.69 0.00 0.00 174.62 174.95 3dmt s THR 192 N 0.08 5.16 -0.41 -0.82 -1.32 -0.16 0.61 115.64 118.78 3dmt s THR 192 Ca -0.10 0.10 -0.23 0.00 -1.21 0.00 0.00 61.69 60.26 3dmt s THR 192 Cb -0.16 -3.37 0.02 0.00 -1.51 0.00 0.00 72.50 67.49 3dmt s THR 192 CO 0.06 0.42 0.75 -0.63 -2.21 0.00 0.00 174.62 173.01 3dmt s ILE 193 N 0.61 4.72 -0.12 5.08 1.09 -0.04 -0.67 121.20 131.87 3dmt s ILE 193 Ca 0.06 0.56 0.02 0.00 -1.10 0.00 0.00 60.65 60.19 3dmt s ILE 193 Cb -0.12 -4.25 -0.01 0.00 -1.06 0.00 0.00 42.46 37.02 3dmt s ILE 193 CO 0.01 -0.57 -0.18 -2.28 -0.10 0.00 0.00 174.94 171.81 3dmt s HIS 194 N 3.12 2.70 0.62 3.97 2.46 0.17 -0.97 115.29 127.36 3dmt s HIS 194 Ca 0.29 -0.88 -0.18 0.00 0.47 0.00 0.00 55.06 54.75 3dmt s HIS 194 Cb -0.13 -1.79 -0.04 0.00 -0.13 0.00 0.00 32.58 30.49 3dmt s HIS 194 CO 0.20 -0.34 1.03 0.43 -2.47 0.00 0.00 174.74 173.58 3dmt n SER 195 N 3.61 1.00 -4.73 9.88 7.64 -1.22 0.80 113.62 130.59 3dmt n SER 195 Ca -0.19 0.80 -0.30 0.00 1.01 0.00 0.00 58.87 60.19 3dmt n SER 195 Cb 0.53 -1.42 0.12 0.00 -1.01 0.00 0.00 64.21 62.43 3dmt n SER 195 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3dmt s TYR 196 N -1.50 2.41 0.35 1.43 -0.85 -0.21 -4.66 117.35 114.33 3dmt s TYR 196 Ca 0.78 1.31 0.06 0.00 -0.52 0.00 0.00 57.07 58.70 3dmt s TYR 196 Cb -0.40 -3.13 -0.03 0.00 0.38 0.00 0.00 41.96 38.77 3dmt s TYR 196 CO 0.45 -2.23 0.24 0.95 -1.52 0.00 0.00 175.55 173.45 3dmt s THR 197 N -2.95 0.14 0.53 -3.49 -4.23 -1.26 -4.62 115.64 99.77 3dmt s THR 197 Ca 0.63 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.36 3dmt s THR 197 Cb -0.17 -2.45 0.35 0.00 1.34 0.00 0.00 72.50 71.56 3dmt s THR 197 CO 0.57 0.00 2.07 0.00 -0.54 0.00 0.00 174.62 176.71 3dmt h ALA 198 N 2.04 2.24 0.00 3.99 0.00 -1.97 -1.32 119.26 124.23 3dmt h ALA 198 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dmt h ALA 198 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3dmt h ALA 198 CO 0.41 -0.37 -0.13 1.79 0.00 0.00 0.00 179.25 180.96 3dmt h THR 199 N 0.00 0.00 -3.91 0.00 1.35 -1.98 -3.45 112.91 104.92 3dmt h THR 199 Ca 0.14 -0.56 -0.44 0.00 -0.55 0.00 0.00 66.41 65.00 3dmt h THR 199 Cb 0.57 1.48 0.17 0.00 -1.73 0.00 0.00 68.15 68.64 3dmt h THR 199 CO -0.00 0.00 0.34 -1.10 -0.25 0.00 0.00 175.52 174.51 3dmt s GLN 200 N -3.13 0.19 -0.05 4.72 -0.21 -0.50 -4.95 119.66 115.72 3dmt s GLN 200 Ca 0.09 -0.27 0.05 0.00 0.02 0.00 0.00 55.36 55.25 3dmt s GLN 200 Cb 0.11 -1.78 -0.00 0.00 1.00 0.00 0.00 33.01 32.34 3dmt s GLN 200 CO 0.63 -2.74 -0.19 0.15 -2.12 0.00 0.00 175.29 171.02 3dmt s LYS 201 N -5.72 1.98 0.11 2.91 -0.14 -1.26 -4.96 119.74 112.66 3dmt s LYS 201 Ca 0.72 -0.67 -0.26 0.00 -1.36 0.00 0.00 55.97 54.40 3dmt s LYS 201 Cb -0.06 -1.70 -0.09 0.00 -1.68 0.00 0.00 37.83 34.30 3dmt s LYS 201 CO 0.54 0.26 1.66 1.79 -0.76 0.00 0.00 175.35 178.84 3dmt h THR 202 N 5.25 0.54 -3.00 2.17 1.35 -1.92 0.23 112.91 117.53 3dmt h THR 202 Ca -0.32 0.00 -0.51 0.00 -0.55 0.00 0.00 66.41 65.03 3dmt h THR 202 Cb 1.18 0.54 -0.16 0.00 -1.73 0.00 0.00 68.15 67.98 3dmt h THR 202 CO 0.48 0.00 -0.76 0.68 -0.25 0.00 0.00 175.52 175.66 3dmt s VAL 203 N -6.10 1.88 -0.49 6.82 -7.23 -1.26 -3.63 120.40 110.38 3dmt s VAL 203 Ca -0.15 -2.09 -0.44 0.00 -1.81 0.00 0.00 61.98 57.49 3dmt s VAL 203 Cb 0.08 -1.98 -0.19 0.00 0.56 0.00 0.00 36.38 34.85 3dmt s VAL 203 CO 0.65 -0.43 1.95 0.47 -0.31 0.00 0.00 175.10 177.44 3dmt n ASP 204 N -0.08 0.84 -2.40 4.85 8.00 -1.26 -4.35 116.55 122.16 3dmt n ASP 204 Ca -0.10 0.79 -0.11 0.00 0.71 0.00 0.00 54.79 56.08 3dmt n ASP 204 Cb 0.59 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3dmt n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dmt n GLY 205 N 6.45 3.67 3.72 0.44 0.00 0.14 -4.94 105.19 114.66 3dmt n GLY 205 Ca 0.48 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3dmt n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmt s VAL 206 N -2.33 4.88 -0.47 1.61 1.01 -1.26 -4.60 120.40 119.23 3dmt s VAL 206 Ca 0.12 1.88 0.06 0.00 0.00 0.00 0.00 61.98 64.03 3dmt s VAL 206 Cb 0.01 -4.24 0.20 0.00 0.00 0.00 0.00 36.38 32.35 3dmt s VAL 206 CO 0.08 0.21 0.65 -0.24 0.00 0.00 0.00 175.10 175.80 3dmt n SER 207 N 3.71 -2.26 0.15 3.32 2.88 -1.26 -4.88 113.62 115.27 3dmt n SER 207 Ca 0.03 -2.84 0.05 0.00 -1.33 0.00 0.00 58.87 54.78 3dmt n SER 207 Cb 0.51 0.97 0.51 0.00 -0.75 0.00 0.00 64.21 65.46 3dmt n SER 207 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3dmt h VAL 208 N 4.18 1.08 -0.22 2.46 2.07 -1.96 -1.27 116.25 122.58 3dmt h VAL 208 Ca 0.07 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3dmt h VAL 208 Cb 1.02 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3dmt h VAL 208 CO 0.21 0.09 0.00 2.29 0.02 0.00 0.00 177.57 180.18 3dmt n LYS 209 N -4.46 2.41 -3.17 1.57 2.85 -1.26 -4.66 118.16 111.44 3dmt n LYS 209 Ca -0.01 -2.12 0.03 0.00 -1.05 0.00 0.00 58.31 55.16 3dmt n LYS 209 Cb 0.12 -1.49 -0.00 0.00 -0.65 0.00 0.00 35.03 33.01 3dmt n LYS 209 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3dmt s ASP 210 N -1.71 -1.53 0.16 -5.58 2.15 -0.49 -5.06 116.67 104.61 3dmt s ASP 210 Ca 0.34 -0.26 -0.11 0.00 0.43 0.00 0.00 52.55 52.94 3dmt s ASP 210 Cb 0.21 1.95 0.02 0.00 -0.30 0.00 0.00 42.92 44.80 3dmt s ASP 210 CO 0.31 -0.23 1.58 -0.50 -0.17 0.00 0.00 175.17 176.16 3dmt h TRP 211 N 7.46 1.06 -0.61 -5.34 4.06 -1.80 -2.58 115.95 118.19 3dmt h TRP 211 Ca 0.01 -0.21 -0.08 0.00 2.06 0.00 0.00 58.89 60.67 3dmt h TRP 211 Cb 1.19 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 29.06 3dmt h TRP 211 CO 0.19 1.00 0.05 0.00 -3.56 0.00 0.00 178.44 176.12 3dmt h ARG 212 N 0.81 1.03 0.00 0.49 3.08 -1.89 -2.36 114.38 115.54 3dmt h ARG 212 Ca 0.13 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3dmt h ARG 212 Cb 0.63 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3dmt h ARG 212 CO 0.04 0.97 0.00 0.41 -1.07 0.00 0.00 179.97 180.33 3dmt n GLY 213 N -0.55 -0.87 0.04 0.04 0.00 -0.99 -1.24 105.19 101.62 3dmt n GLY 213 Ca 0.04 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3dmt n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dmt n GLY 214 N -0.01 -1.45 3.79 -0.02 0.00 -0.89 -4.00 105.19 102.61 3dmt n GLY 214 Ca 0.06 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3dmt n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dmt s ARG 215 N -3.07 4.39 -0.45 1.61 1.81 -0.37 0.25 118.95 123.12 3dmt s ARG 215 Ca 0.10 1.32 -0.44 0.00 -1.72 0.00 0.00 55.73 55.00 3dmt s ARG 215 Cb 0.16 -2.58 -0.18 0.00 -0.45 0.00 0.00 34.95 31.89 3dmt s ARG 215 CO 0.65 0.10 1.88 0.00 -0.68 0.00 0.00 175.30 177.24 3dmt n ALA 216 N 0.11 -0.35 0.05 2.13 0.00 -1.26 -4.42 120.51 116.76 3dmt n ALA 216 Ca 0.04 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 3dmt n ALA 216 Cb 0.51 -2.09 0.02 0.00 0.00 0.00 0.00 19.45 17.89 3dmt n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dmt h ALA 217 N 7.55 0.56 -0.39 0.00 0.00 -0.59 -3.16 119.26 123.23 3dmt h ALA 217 Ca -0.30 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3dmt h ALA 217 Cb 1.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3dmt h ALA 217 CO 1.02 0.77 0.00 0.00 0.00 0.00 0.00 179.25 181.04 3dmt n ALA 218 N -2.52 2.44 -0.49 0.00 0.00 -1.26 -3.90 120.51 114.78 3dmt n ALA 218 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.52 3dmt n ALA 218 Cb 0.72 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3dmt n ALA 218 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3dmt n VAL 219 N 1.10 0.32 -4.15 0.00 0.24 -1.23 -4.65 118.33 109.96 3dmt n VAL 219 Ca 0.18 -0.42 -0.17 0.00 -2.04 0.00 0.00 64.34 61.90 3dmt n VAL 219 Cb 0.50 1.02 -0.12 0.00 -1.47 0.00 0.00 33.84 33.77 3dmt n VAL 219 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3dmt s ASN 220 N -0.32 1.53 -0.28 -1.34 0.01 -1.19 -5.04 114.94 108.30 3dmt s ASN 220 Ca 0.00 -0.60 -0.22 0.00 -0.71 0.00 0.00 52.86 51.33 3dmt s ASN 220 Cb 0.00 -0.04 -0.01 0.00 0.41 0.00 0.00 41.25 41.62 3dmt s ASN 220 CO 0.00 -0.10 0.70 -0.63 -1.51 0.00 0.00 177.10 175.57 3dmt s ILE 221 N -1.28 4.89 -0.31 0.60 1.01 -1.26 -3.91 121.20 120.94 3dmt s ILE 221 Ca -0.03 1.12 0.03 0.00 0.00 0.00 0.00 60.65 61.77 3dmt s ILE 221 Cb -0.10 -4.04 0.09 0.00 0.01 0.00 0.00 42.46 38.41 3dmt s ILE 221 CO 0.02 -0.12 -0.00 -0.63 0.00 0.00 0.00 174.94 174.20 3dmt s ILE 222 N 2.72 2.13 0.63 2.92 1.01 0.94 -4.90 121.20 126.66 3dmt s ILE 222 Ca 0.29 -2.02 -0.18 0.00 0.00 0.00 0.00 60.65 58.74 3dmt s ILE 222 Cb -0.15 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3dmt s ILE 222 CO 0.11 -0.40 1.25 -2.84 0.00 0.00 0.00 174.94 173.06 3dmt s PRO 223 N 1.03 2.71 -0.19 2.79 0.02 -1.26 -0.12 135.00 139.97 3dmt s PRO 223 Ca 0.04 1.95 -0.22 0.00 0.02 0.00 0.00 61.00 62.79 3dmt s PRO 223 Cb -0.19 -1.88 0.06 0.00 0.02 0.00 0.00 34.50 32.51 3dmt s PRO 223 CO -0.08 -1.45 0.59 0.45 -0.33 0.00 0.00 177.00 176.18 3dmt s SER 224 N -1.51 -0.60 0.81 2.53 0.15 0.12 -4.71 113.70 110.48 3dmt s SER 224 Ca 0.80 1.09 -0.14 0.00 0.70 0.00 0.00 55.95 58.40 3dmt s SER 224 Cb -0.34 1.09 0.04 0.00 -1.71 0.00 0.00 66.02 65.10 3dmt s SER 224 CO 0.37 -0.27 0.91 0.35 1.20 0.00 0.00 173.24 175.80 3dmt n THR 225 N 2.47 1.71 -3.76 6.45 -2.24 -1.26 0.58 114.28 118.23 3dmt n THR 225 Ca -0.15 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3dmt n THR 225 Cb 0.56 -1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 67.70 3dmt n THR 225 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3dmt s THR 226 N -2.10 0.03 -2.20 4.28 -1.32 -1.25 -4.59 115.64 108.49 3dmt s THR 226 Ca 0.69 -0.23 0.20 0.00 -1.21 0.00 0.00 61.69 61.14 3dmt s THR 226 Cb -0.30 -0.55 0.49 0.00 -1.51 0.00 0.00 72.50 70.63 3dmt s THR 226 CO 0.55 -0.13 1.45 0.61 -2.21 0.00 0.00 174.62 174.89 3dmt n GLY 227 N 2.10 1.57 0.20 6.08 0.00 -1.26 -4.54 105.19 109.34 3dmt n GLY 227 Ca -0.17 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 3dmt n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmt h ALA 228 N 4.24 0.60 0.08 4.61 0.00 -1.96 0.54 119.26 127.37 3dmt h ALA 228 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 3dmt h ALA 228 Cb 0.82 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.44 3dmt h ALA 228 CO 0.00 0.09 -1.15 0.00 0.00 0.00 0.00 179.25 178.19 3dmt h ALA 229 N 1.13 0.10 -0.73 0.00 0.00 -1.87 -2.47 119.26 115.43 3dmt h ALA 229 Ca 0.17 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.33 3dmt h ALA 229 Cb -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3dmt h ALA 229 CO -0.03 0.74 0.48 -0.22 0.00 0.00 0.00 179.25 180.22 3dmt h LYS 230 N 0.27 0.97 0.00 0.00 3.64 -1.50 -2.79 116.57 117.16 3dmt h LYS 230 Ca -0.15 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 3dmt h LYS 230 Cb 1.82 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 33.42 3dmt h LYS 230 CO 0.21 0.65 -0.03 0.00 -2.27 0.00 0.00 179.45 178.02 3dmt h ALA 231 N 1.26 1.66 -0.60 5.00 0.00 0.24 -1.86 119.26 124.96 3dmt h ALA 231 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dmt h ALA 231 Cb -0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3dmt h ALA 231 CO -0.06 0.03 0.34 0.28 0.00 0.00 0.00 179.25 179.85 3dmt h VAL 232 N 0.00 1.19 0.00 0.00 2.07 -1.15 -2.29 116.25 116.07 3dmt h VAL 232 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3dmt h VAL 232 Cb 0.06 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3dmt h VAL 232 CO 0.00 0.20 0.32 1.23 0.02 0.00 0.00 177.57 179.34 3dmt h GLY 233 N 0.81 0.00 0.51 2.17 0.00 -1.39 1.21 103.07 106.38 3dmt h GLY 233 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 3dmt h GLY 233 CO -0.04 0.00 -1.73 1.03 0.00 0.00 0.00 176.54 175.80 3dmt n MET 234 N -2.40 0.64 -0.03 4.80 2.81 -0.88 -3.51 117.12 118.55 3dmt n MET 234 Ca -0.01 0.05 -0.16 0.00 -1.81 0.00 0.00 57.70 55.77 3dmt n MET 234 Cb 0.35 -1.67 -0.14 0.00 -0.71 0.00 0.00 33.22 31.05 3dmt n MET 234 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3dmt n VAL 235 N -2.67 1.66 -3.91 2.03 0.31 0.97 -4.49 118.33 112.23 3dmt n VAL 235 Ca -0.12 -0.71 -0.30 0.00 -0.01 0.00 0.00 64.34 63.19 3dmt n VAL 235 Cb 0.80 -1.35 -0.13 0.00 -0.91 0.00 0.00 33.84 32.25 3dmt n VAL 235 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3dmt s ILE 236 N -2.56 2.78 0.62 2.52 1.01 0.38 -4.70 121.20 121.25 3dmt s ILE 236 Ca -0.17 -3.50 0.31 0.00 0.00 0.00 0.00 60.65 57.29 3dmt s ILE 236 Cb 0.07 -2.89 0.36 0.00 0.01 0.00 0.00 42.46 40.01 3dmt s ILE 236 CO 0.77 -0.85 2.04 -0.65 0.00 0.00 0.00 174.94 176.25 3dmt h PRO 237 N 6.30 0.00 0.00 2.79 0.11 -1.77 -0.81 132.00 138.62 3dmt h PRO 237 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3dmt h PRO 237 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3dmt h PRO 237 CO 0.70 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.36 3dmt n SER 238 N -3.40 0.00 -0.95 -2.05 3.41 -1.26 -2.63 113.62 106.75 3dmt n SER 238 Ca 0.01 0.04 0.09 0.00 -0.26 0.00 0.00 58.87 58.74 3dmt n SER 238 Cb 0.37 -0.34 0.21 0.00 -0.26 0.00 0.00 64.21 64.20 3dmt n SER 238 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dmt n THR 239 N -1.34 0.88 -1.70 6.66 -2.24 -0.31 -4.96 114.28 111.27 3dmt n THR 239 Ca 0.11 -0.94 -0.43 0.00 -2.27 0.00 0.00 64.05 60.52 3dmt n THR 239 Cb 0.24 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 3dmt n THR 239 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3dmt n GLN 240 N 1.05 2.55 -0.87 -0.78 -0.06 -1.08 -1.37 117.38 116.82 3dmt n GLN 240 Ca 0.17 0.92 0.00 0.00 -2.00 0.00 0.00 57.00 56.09 3dmt n GLN 240 Cb 0.51 -2.73 0.00 0.00 -4.06 0.00 0.00 30.24 23.96 3dmt n GLN 240 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3dmt n GLY 241 N 3.63 0.46 0.00 1.69 0.00 -1.26 -4.83 105.19 104.87 3dmt n GLY 241 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3dmt n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dmt n LYS 242 N -1.71 0.76 -4.34 1.61 5.02 -0.47 -4.94 118.16 114.09 3dmt n LYS 242 Ca 0.00 -0.07 -0.21 0.00 -2.02 0.00 0.00 58.31 56.00 3dmt n LYS 242 Cb 0.08 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.53 3dmt n LYS 242 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dmt s LEU 243 N -3.50 1.54 0.00 -0.35 1.43 -1.24 -0.58 118.68 115.99 3dmt s LEU 243 Ca 0.01 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3dmt s LEU 243 Cb 0.13 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.78 3dmt s LEU 243 CO 0.77 0.00 0.00 1.07 0.23 0.00 0.00 176.35 178.43 3dmt n THR 244 N 3.77 0.00 -0.51 5.49 5.66 -1.05 -3.22 114.28 124.42 3dmt n THR 244 Ca -0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 3dmt n THR 244 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 3dmt n THR 244 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dmt n GLY 245 N 0.62 -1.29 1.71 1.09 0.00 -1.26 -1.10 105.19 104.96 3dmt n GLY 245 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 3dmt n GLY 245 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3dmt n MET 246 N -0.09 0.23 -4.37 1.61 0.00 -0.07 -3.84 117.12 110.59 3dmt n MET 246 Ca 0.00 -1.74 -0.19 0.00 0.00 0.00 0.00 57.70 55.77 3dmt n MET 246 Cb 0.00 1.45 -0.14 0.00 0.00 0.00 0.00 33.22 34.53 3dmt n MET 246 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3dmt s SER 247 N -2.22 1.30 -0.19 3.17 0.15 0.20 -0.98 113.70 115.12 3dmt s SER 247 Ca 0.21 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 3dmt s SER 247 Cb 0.01 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 3dmt s SER 247 CO 0.15 0.07 -0.14 -0.36 1.20 0.00 0.00 173.24 174.15 3dmt s PHE 248 N -0.53 2.84 -0.12 3.44 0.08 0.16 0.13 117.98 123.98 3dmt s PHE 248 Ca 0.02 -1.32 -0.21 0.00 0.12 0.00 0.00 56.93 55.54 3dmt s PHE 248 Cb -0.06 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3dmt s PHE 248 CO 0.00 -0.67 0.60 1.03 -0.10 0.00 0.00 175.22 176.08 3dmt s ARG 249 N 1.27 4.34 0.15 0.44 0.52 0.83 0.45 118.95 126.96 3dmt s ARG 249 Ca 0.04 0.65 0.07 0.00 -0.52 0.00 0.00 55.73 55.96 3dmt s ARG 249 Cb -0.14 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 3dmt s ARG 249 CO -0.08 0.03 -0.15 0.14 0.02 0.00 0.00 175.30 175.26 3dmt s VAL 250 N 1.00 1.50 -0.47 3.52 -7.23 0.24 -0.04 120.40 118.92 3dmt s VAL 250 Ca 0.31 -1.86 -0.18 0.00 -1.81 0.00 0.00 61.98 58.44 3dmt s VAL 250 Cb -0.16 -1.71 -0.17 0.00 0.56 0.00 0.00 36.38 34.90 3dmt s VAL 250 CO 0.13 -0.44 1.73 -2.65 -0.31 0.00 0.00 175.10 173.56 3dmt n PRO 251 N 0.29 0.97 -4.26 4.82 -0.02 -1.25 -2.83 135.00 132.73 3dmt n PRO 251 Ca -0.13 -1.34 -0.17 0.00 -2.02 0.00 0.00 63.50 59.84 3dmt n PRO 251 Cb 0.58 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.34 3dmt n PRO 251 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3dmt s THR 252 N 5.24 0.56 -0.11 3.45 -4.23 -1.26 -5.00 115.64 114.28 3dmt s THR 252 Ca 0.48 -0.31 0.25 0.00 -1.18 0.00 0.00 61.69 60.93 3dmt s THR 252 Cb 0.12 -0.47 0.28 0.00 1.34 0.00 0.00 72.50 73.77 3dmt s THR 252 CO 0.13 0.15 1.74 1.55 -0.54 0.00 0.00 174.62 177.65 3dmt h PRO 253 N 5.95 0.00 -2.64 3.99 0.13 -1.85 -0.52 132.00 137.06 3dmt h PRO 253 Ca -0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 3dmt h PRO 253 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 3dmt h PRO 253 CO 0.50 0.13 0.24 0.34 -0.23 0.00 0.00 178.00 178.98 3dmt s ASP 254 N -6.11 -0.57 0.00 1.44 2.15 -1.26 -4.63 116.67 107.70 3dmt s ASP 254 Ca 0.03 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.21 3dmt s ASP 254 Cb 0.08 0.56 0.00 0.00 -0.30 0.00 0.00 42.92 43.25 3dmt s ASP 254 CO 0.64 -0.83 0.00 0.52 -0.17 0.00 0.00 175.17 175.33 3dmt n VAL 255 N -0.00 -0.62 -4.29 1.11 0.31 -1.26 -4.86 118.33 108.72 3dmt n VAL 255 Ca -0.17 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.01 3dmt n VAL 255 Cb 0.62 -0.62 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 3dmt n VAL 255 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3dmt s SER 256 N -0.60 0.94 -0.00 4.52 0.01 0.19 -3.41 113.70 115.34 3dmt s SER 256 Ca 0.00 -1.41 0.01 0.00 1.31 0.00 0.00 55.95 55.85 3dmt s SER 256 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 3dmt s SER 256 CO 0.00 -0.79 -0.02 0.54 0.41 0.00 0.00 173.24 173.39 3dmt s VAL 257 N -3.85 0.15 -0.11 3.43 0.11 -0.15 0.11 120.40 120.09 3dmt s VAL 257 Ca 0.38 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 59.19 3dmt s VAL 257 Cb 0.07 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.74 3dmt s VAL 257 CO 0.14 0.05 0.44 -0.69 -3.33 0.00 0.00 175.10 171.71 3dmt s VAL 258 N 0.01 5.19 -0.46 2.04 1.01 0.28 -0.86 120.40 127.62 3dmt s VAL 258 Ca 0.00 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 3dmt s VAL 258 Cb -0.01 -3.78 0.12 0.00 0.00 0.00 0.00 36.38 32.71 3dmt s VAL 258 CO -0.00 0.36 0.24 -0.62 0.00 0.00 0.00 175.10 175.07 3dmt s ASP 259 N 0.46 5.05 -0.28 3.32 2.15 0.20 -1.69 116.67 125.88 3dmt s ASP 259 Ca 0.24 -2.37 -0.12 0.00 0.43 0.00 0.00 52.55 50.74 3dmt s ASP 259 Cb -0.15 -1.77 -0.05 0.00 -0.30 0.00 0.00 42.92 40.65 3dmt s ASP 259 CO 0.10 -0.43 0.22 -0.22 -0.17 0.00 0.00 175.17 174.66 3dmt s LEU 260 N 0.64 4.07 -0.24 -1.34 2.96 0.63 -0.83 118.68 124.56 3dmt s LEU 260 Ca 0.12 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 3dmt s LEU 260 Cb -0.22 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 3dmt s LEU 260 CO -0.04 -0.08 0.04 -0.89 -1.32 0.00 0.00 176.35 174.05 3dmt s THR 261 N 1.80 4.08 0.12 3.68 2.01 0.32 0.98 115.64 128.63 3dmt s THR 261 Ca 0.08 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.85 3dmt s THR 261 Cb -0.16 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 3dmt s THR 261 CO 0.11 0.36 -0.06 0.72 -0.69 0.00 0.00 174.62 175.06 3dmt s PHE 262 N 1.54 1.02 -0.17 4.92 -0.71 0.45 0.43 117.98 125.45 3dmt s PHE 262 Ca 0.06 -0.89 -0.06 0.00 -1.04 0.00 0.00 56.93 55.00 3dmt s PHE 262 Cb -0.15 -0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 41.06 3dmt s PHE 262 CO 0.02 -0.10 0.01 0.95 -1.34 0.00 0.00 175.22 174.76 3dmt s THR 263 N -3.56 4.30 0.48 -4.49 -4.23 0.13 -1.01 115.64 107.26 3dmt s THR 263 Ca 0.15 -0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.26 3dmt s THR 263 Cb 0.05 -2.92 -0.09 0.00 1.34 0.00 0.00 72.50 70.88 3dmt s THR 263 CO -0.02 0.47 0.99 0.00 -0.54 0.00 0.00 174.62 175.51 3dmt s ALA 264 N 0.47 2.98 0.22 3.99 0.00 0.15 -0.39 121.76 129.17 3dmt s ALA 264 Ca -0.00 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3dmt s ALA 264 Cb -0.13 -3.17 0.18 0.00 0.00 0.00 0.00 23.12 19.99 3dmt s ALA 264 CO 0.02 -0.15 1.52 0.00 0.00 0.00 0.00 175.76 177.15 3dmt h ALA 265 N 1.44 0.77 -2.26 0.00 0.00 -1.13 -3.42 119.26 114.66 3dmt h ALA 265 Ca -0.48 -0.56 -0.39 0.00 0.00 0.00 0.00 54.91 53.48 3dmt h ALA 265 Cb 1.19 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 3dmt h ALA 265 CO 0.60 0.74 -0.59 -0.98 0.00 0.00 0.00 179.25 179.02 3dmt s ARG 266 N -3.75 1.52 0.21 0.00 1.70 -1.20 -5.00 118.95 112.43 3dmt s ARG 266 Ca -0.05 -1.85 -0.32 0.00 -0.47 0.00 0.00 55.73 53.04 3dmt s ARG 266 Cb 0.11 -0.30 -0.14 0.00 -0.57 0.00 0.00 34.95 34.06 3dmt s ARG 266 CO 0.81 -0.34 1.48 -0.25 -1.08 0.00 0.00 175.30 175.93 3dmt n ASP 267 N -0.67 2.92 0.00 -2.89 9.92 -1.26 -4.75 116.55 119.83 3dmt n ASP 267 Ca -0.00 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.37 3dmt n ASP 267 Cb 0.66 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 3dmt n ASP 267 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 3dmt n THR 268 N 2.54 0.00 -3.71 -3.53 5.66 0.63 -5.03 114.28 110.84 3dmt n THR 268 Ca 0.14 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.02 3dmt n THR 268 Cb 0.30 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.02 3dmt n THR 268 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3dmt s SER 269 N 1.50 -0.19 0.56 1.09 1.04 -1.26 -4.14 113.70 112.29 3dmt s SER 269 Ca 0.00 -0.12 0.23 0.00 0.48 0.00 0.00 55.95 56.54 3dmt s SER 269 Cb 0.00 0.39 1.54 0.00 0.10 0.00 0.00 66.02 68.05 3dmt s SER 269 CO 0.00 -0.65 2.18 -0.29 0.98 0.00 0.00 173.24 175.46 3dmt h ILE 270 N 3.08 0.75 -0.42 -1.02 6.09 -1.92 -1.61 117.51 122.45 3dmt h ILE 270 Ca -0.32 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.13 3dmt h ILE 270 Cb 1.20 0.97 -0.02 0.00 0.47 0.00 0.00 36.82 39.45 3dmt h ILE 270 CO 0.45 0.00 0.09 1.56 -3.07 0.00 0.00 178.15 177.18 3dmt h GLN 271 N 0.00 0.69 -0.19 2.19 7.50 -1.95 0.25 115.11 123.60 3dmt h GLN 271 Ca 0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 58.65 58.98 3dmt h GLN 271 Cb 0.09 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 3dmt h GLN 271 CO -0.00 0.71 0.05 0.93 -1.50 0.00 0.00 178.83 179.01 3dmt h GLU 272 N 0.55 0.31 -0.59 1.46 5.08 -1.72 0.16 114.58 119.84 3dmt h GLU 272 Ca 0.13 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3dmt h GLU 272 Cb 0.33 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3dmt h GLU 272 CO 0.00 0.44 0.34 0.82 -1.00 0.00 0.00 179.01 179.61 3dmt h ILE 273 N 0.12 1.01 -0.22 3.13 2.04 -1.28 0.53 117.51 122.85 3dmt h ILE 273 Ca 0.06 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 3dmt h ILE 273 Cb 0.27 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3dmt h ILE 273 CO 0.00 0.12 -0.31 -0.78 0.00 0.00 0.00 178.15 177.18 3dmt h ASP 274 N 0.65 0.45 -0.23 1.72 3.58 -0.22 -1.24 116.42 121.13 3dmt h ASP 274 Ca 0.25 -0.16 -0.19 0.00 0.42 0.00 0.00 57.03 57.35 3dmt h ASP 274 Cb 0.10 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.03 3dmt h ASP 274 CO -0.14 0.74 -0.60 0.00 -2.88 0.00 0.00 179.24 176.36 3dmt h ALA 275 N 1.30 0.38 -0.04 -0.78 0.00 -0.12 -2.62 119.26 117.38 3dmt h ALA 275 Ca 0.05 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.44 3dmt h ALA 275 Cb 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3dmt h ALA 275 CO 0.06 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.88 3dmt h ALA 276 N 0.62 -0.02 -0.83 0.00 0.00 -0.78 -1.59 119.26 116.65 3dmt h ALA 276 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dmt h ALA 276 Cb 1.22 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 3dmt h ALA 276 CO 0.13 -0.54 0.52 -0.07 0.00 0.00 0.00 179.25 179.29 3dmt h LEU 277 N -0.08 0.99 -0.50 0.00 3.38 -1.24 0.52 115.31 118.38 3dmt h LEU 277 Ca 0.04 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3dmt h LEU 277 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3dmt h LEU 277 CO -0.09 0.75 -0.03 0.11 0.09 0.00 0.00 178.44 179.27 3dmt h LYS 278 N 1.14 0.89 -0.01 1.13 1.57 -1.36 -0.74 116.57 119.19 3dmt h LYS 278 Ca 0.30 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dmt h LYS 278 Cb -0.07 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3dmt h LYS 278 CO -0.06 0.94 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.66 3dmt h ARG 279 N 0.75 0.03 -0.54 3.15 2.43 -0.92 -2.35 114.38 116.93 3dmt h ARG 279 Ca 0.14 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.40 3dmt h ARG 279 Cb 0.55 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.00 3dmt h ARG 279 CO 0.03 0.43 -0.25 0.00 -1.51 0.00 0.00 179.97 178.67 3dmt h ALA 280 N 0.60 0.10 -0.93 2.80 0.00 0.06 -0.03 119.26 121.85 3dmt h ALA 280 Ca 0.00 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.20 3dmt h ALA 280 Cb 0.42 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3dmt h ALA 280 CO 0.00 -0.59 0.60 0.66 0.00 0.00 0.00 179.25 179.92 3dmt h SER 281 N -0.13 0.81 1.23 0.00 4.64 -1.12 0.20 113.55 119.19 3dmt h SER 281 Ca 0.24 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.55 3dmt h SER 281 Cb 0.51 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3dmt h SER 281 CO -0.61 0.45 -0.21 0.11 -0.87 0.00 0.00 176.83 175.69 3dmt h LYS 282 N 0.88 0.00 0.00 4.77 1.57 -0.63 -3.20 116.57 119.96 3dmt h LYS 282 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3dmt h LYS 282 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3dmt h LYS 282 CO -0.21 0.21 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 3dmt n THR 283 N -3.27 0.00 0.52 -0.16 -2.24 -0.16 -4.73 114.28 104.24 3dmt n THR 283 Ca 0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 3dmt n THR 283 Cb 0.49 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.99 3dmt n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dmt n TYR 284 N 0.00 0.00 -0.28 4.78 4.11 -1.09 0.83 117.16 125.51 3dmt n TYR 284 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.96 3dmt n TYR 284 Cb 0.00 -0.26 0.16 0.00 -0.00 0.00 0.00 39.34 39.24 3dmt n TYR 284 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 3dmt n MET 285 N -1.26 2.89 -1.76 -3.48 2.81 0.56 -4.98 117.12 111.89 3dmt n MET 285 Ca 0.05 -2.15 -0.41 0.00 -1.81 0.00 0.00 57.70 53.38 3dmt n MET 285 Cb 0.08 -1.34 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 3dmt n MET 285 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3dmt s LYS 286 N -1.25 4.11 0.00 0.03 2.20 0.24 -0.29 119.74 124.77 3dmt s LYS 286 Ca 0.25 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 3dmt s LYS 286 Cb 0.15 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 3dmt s LYS 286 CO 0.14 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 3dmt n GLY 287 N 2.17 2.95 0.36 5.54 0.00 -1.26 -4.70 105.19 110.25 3dmt n GLY 287 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3dmt n GLY 287 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dmt n ILE 288 N -2.00 1.18 -4.25 -0.61 2.08 -0.51 -4.32 119.36 110.94 3dmt n ILE 288 Ca 0.00 -0.21 -0.34 0.00 0.56 0.00 0.00 62.75 62.75 3dmt n ILE 288 Cb 0.00 -1.84 -0.13 0.00 -0.75 0.00 0.00 39.64 36.92 3dmt n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3dmt s LEU 289 N -7.20 3.04 0.53 1.39 2.96 0.60 -0.90 118.68 119.10 3dmt s LEU 289 Ca -0.28 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3dmt s LEU 289 Cb 0.10 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 45.05 3dmt s LEU 289 CO 0.36 0.09 0.05 -0.83 -1.32 0.00 0.00 176.35 174.69 3dmt s GLY 290 N 0.85 3.03 0.16 7.98 0.00 0.60 -4.34 107.32 115.59 3dmt s GLY 290 Ca -0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 44.72 44.41 3dmt s GLY 290 CO 0.01 -2.19 0.31 -2.52 0.00 0.00 0.00 173.10 168.72 3dmt s TYR 291 N -2.89 0.30 0.03 1.90 1.13 -1.26 -0.15 117.35 116.41 3dmt s TYR 291 Ca 0.05 -0.66 0.03 0.00 -1.41 0.00 0.00 57.07 55.08 3dmt s TYR 291 Cb -0.00 0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.85 3dmt s TYR 291 CO 0.03 -0.74 -0.10 -0.08 -2.51 0.00 0.00 175.55 172.15 3dmt s THR 292 N -3.94 0.79 -0.18 -3.49 -1.32 -0.20 -4.86 115.64 102.43 3dmt s THR 292 Ca 0.15 -0.87 0.15 0.00 -1.21 0.00 0.00 61.69 59.92 3dmt s THR 292 Cb 0.03 -0.75 0.41 0.00 -1.51 0.00 0.00 72.50 70.68 3dmt s THR 292 CO -0.01 -0.10 1.28 -0.90 -2.21 0.00 0.00 174.62 172.68 3dmt n ASP 293 N 1.97 2.65 -4.89 8.08 3.85 -1.26 -1.11 116.55 125.85 3dmt n ASP 293 Ca -0.18 -3.32 -0.21 0.00 -0.71 0.00 0.00 54.79 50.37 3dmt n ASP 293 Cb 0.55 -0.51 -0.03 0.00 -1.35 0.00 0.00 41.12 39.79 3dmt n ASP 293 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3dmt s GLU 294 N -2.99 2.88 -1.39 0.11 2.02 -1.26 -4.77 118.70 113.30 3dmt s GLU 294 Ca 0.38 -1.17 -0.10 0.00 0.02 0.00 0.00 54.97 54.09 3dmt s GLU 294 Cb 0.33 -2.59 0.09 0.00 0.10 0.00 0.00 34.13 32.06 3dmt s GLU 294 CO 0.02 0.14 2.24 0.39 0.02 0.00 0.00 175.26 178.07 3dmt n GLU 295 N -1.41 3.65 -3.36 1.61 -0.58 -1.26 -4.83 120.64 114.45 3dmt n GLU 295 Ca -0.02 -3.08 -0.31 0.00 -0.42 0.00 0.00 57.16 53.33 3dmt n GLU 295 Cb 0.59 -2.93 -0.04 0.00 -0.57 0.00 0.00 31.44 28.48 3dmt n GLU 295 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3dmt s LEU 296 N 0.07 4.11 0.54 -4.62 1.43 -1.26 -5.09 118.68 113.86 3dmt s LEU 296 Ca 0.49 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 3dmt s LEU 296 Cb 0.14 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.74 3dmt s LEU 296 CO -0.05 -0.13 0.18 0.68 0.23 0.00 0.00 176.35 177.25 3dmt s VAL 297 N -1.94 1.24 0.21 -1.59 -7.23 -1.26 -5.02 120.40 104.81 3dmt s VAL 297 Ca 0.46 -1.79 -0.09 0.00 -1.81 0.00 0.00 61.98 58.76 3dmt s VAL 297 Cb -0.11 -2.02 0.16 0.00 0.56 0.00 0.00 36.38 34.96 3dmt s VAL 297 CO 0.25 0.00 1.83 0.77 -0.31 0.00 0.00 175.10 177.64 3dmt h SER 298 N 1.03 0.65 -0.61 4.85 4.64 -1.97 -1.08 113.55 121.07 3dmt h SER 298 Ca -0.41 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.11 3dmt h SER 298 Cb 1.32 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3dmt h SER 298 CO 0.66 0.43 0.49 0.00 -0.87 0.00 0.00 176.83 177.54 3dmt h ALA 299 N 1.34 2.50 0.00 5.18 0.00 -1.97 -1.23 119.26 125.08 3dmt h ALA 299 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3dmt h ALA 299 Cb 0.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dmt h ALA 299 CO -0.16 -0.81 0.00 -0.25 0.00 0.00 0.00 179.25 178.03 3dmt n ASP 300 N -4.12 0.71 -0.84 0.00 8.00 -0.41 -2.51 116.55 117.38 3dmt n ASP 300 Ca 0.12 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.37 3dmt n ASP 300 Cb 0.73 -0.80 0.08 0.00 -0.02 0.00 0.00 41.12 41.11 3dmt n ASP 300 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3dmt n PHE 301 N -2.24 0.00 -1.67 1.24 3.01 -0.47 -4.84 117.46 112.49 3dmt n PHE 301 Ca 0.03 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.02 3dmt n PHE 301 Cb 0.29 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.72 3dmt n PHE 301 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3dmt n ILE 302 N 1.08 0.19 -0.99 4.37 5.41 -1.04 -1.38 119.36 126.99 3dmt n ILE 302 Ca 0.13 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3dmt n ILE 302 Cb 0.55 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 3dmt n ILE 302 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3dmt n ASN 303 N 4.39 -4.18 -4.71 4.38 3.02 -1.26 -4.99 115.26 111.91 3dmt n ASN 303 Ca 0.19 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 3dmt n ASN 303 Cb 0.28 -1.77 -0.03 0.00 -0.61 0.00 0.00 39.78 37.65 3dmt n ASN 303 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dmt s ASP 304 N -2.01 6.86 0.00 6.41 -1.08 -0.48 -4.92 116.67 121.45 3dmt s ASP 304 Ca 0.00 2.22 0.23 0.00 -0.52 0.00 0.00 52.55 54.48 3dmt s ASP 304 Cb 0.00 -2.58 0.50 0.00 -1.46 0.00 0.00 42.92 39.38 3dmt s ASP 304 CO 0.00 -0.65 1.44 -0.46 0.52 0.00 0.00 175.17 176.02 3dmt n ASN 305 N 4.42 3.33 -4.82 -0.34 2.04 -1.26 -3.46 115.26 115.17 3dmt n ASN 305 Ca 0.12 -1.97 -0.33 0.00 -0.44 0.00 0.00 54.58 51.96 3dmt n ASN 305 Cb 0.43 -0.28 -0.04 0.00 -2.53 0.00 0.00 39.78 37.36 3dmt n ASN 305 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 3dmt s ARG 306 N -1.43 3.89 0.42 -3.83 3.00 -1.26 -4.66 118.95 115.07 3dmt s ARG 306 Ca 0.40 1.09 0.24 0.00 0.00 0.00 0.00 55.73 57.46 3dmt s ARG 306 Cb 0.22 -2.12 0.41 0.00 0.00 0.00 0.00 34.95 33.46 3dmt s ARG 306 CO 0.31 -0.33 1.63 0.66 0.00 0.00 0.00 175.30 177.58 3dmt h SER 307 N 1.16 0.00 -3.18 0.23 4.64 -1.22 -3.40 113.55 111.78 3dmt h SER 307 Ca -0.48 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.68 3dmt h SER 307 Cb 1.19 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.00 3dmt h SER 307 CO 0.60 0.00 -0.42 -0.55 -0.87 0.00 0.00 176.83 175.59 3dmt s SER 308 N -6.03 -0.26 -0.46 4.97 0.15 -0.74 -3.31 113.70 108.02 3dmt s SER 308 Ca 0.07 0.69 0.04 0.00 0.70 0.00 0.00 55.95 57.45 3dmt s SER 308 Cb 0.06 0.64 0.12 0.00 -1.71 0.00 0.00 66.02 65.13 3dmt s SER 308 CO 0.66 -0.19 0.20 -0.63 1.20 0.00 0.00 173.24 174.47 3dmt s ILE 309 N 1.57 2.54 -0.00 6.45 -1.09 0.73 -0.29 121.20 131.10 3dmt s ILE 309 Ca -0.07 -2.97 -0.34 0.00 -2.23 0.00 0.00 60.65 55.04 3dmt s ILE 309 Cb -0.10 -2.79 -0.12 0.00 -1.58 0.00 0.00 42.46 37.87 3dmt s ILE 309 CO -0.10 -0.73 1.81 0.00 -1.23 0.00 0.00 174.94 174.68 3dmt n TYR 310 N 3.52 2.35 -3.05 3.97 9.36 0.79 -0.47 117.16 133.63 3dmt n TYR 310 Ca 0.05 0.03 -0.44 0.00 3.32 0.00 0.00 57.90 60.85 3dmt n TYR 310 Cb 0.36 -2.65 -0.05 0.00 -0.63 0.00 0.00 39.34 36.37 3dmt n TYR 310 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3dmt s ASP 311 N 3.22 6.21 0.07 2.98 -1.08 0.17 -1.04 116.67 127.21 3dmt s ASP 311 Ca 0.88 -1.07 -0.18 0.00 -0.52 0.00 0.00 52.55 51.66 3dmt s ASP 311 Cb -0.66 -2.33 -0.12 0.00 -1.46 0.00 0.00 42.92 38.35 3dmt s ASP 311 CO 0.47 -1.11 1.37 -1.28 0.52 0.00 0.00 175.17 175.14 3dmt h SER 312 N 9.20 0.55 -0.19 -0.34 0.87 -1.38 -2.25 113.55 120.01 3dmt h SER 312 Ca -0.28 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 59.78 3dmt h SER 312 Cb 1.09 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3dmt h SER 312 CO 1.07 0.92 0.06 0.11 -0.53 0.00 0.00 176.83 178.46 3dmt h LYS 313 N 0.19 0.30 -0.37 2.24 1.79 -1.86 0.29 116.57 119.15 3dmt h LYS 313 Ca 0.03 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3dmt h LYS 313 Cb 0.77 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 3dmt h LYS 313 CO 0.05 0.42 0.10 0.00 -1.08 0.00 0.00 179.45 178.94 3dmt h ALA 314 N 0.87 1.48 0.15 3.86 0.00 -1.92 0.07 119.26 123.76 3dmt h ALA 314 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3dmt h ALA 314 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dmt h ALA 314 CO -0.00 0.39 -0.07 1.15 0.00 0.00 0.00 179.25 180.72 3dmt h THR 315 N 0.54 0.77 -0.99 0.00 2.02 -1.03 -3.06 112.91 111.16 3dmt h THR 315 Ca 0.13 -1.19 0.11 0.00 0.77 0.00 0.00 66.41 66.22 3dmt h THR 315 Cb 0.20 1.33 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 3dmt h THR 315 CO -0.00 0.21 0.63 -0.07 0.37 0.00 0.00 175.52 176.66 3dmt h LEU 316 N -0.92 0.94 -0.19 2.58 3.38 -0.39 -2.77 115.31 117.93 3dmt h LEU 316 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dmt h LEU 316 Cb 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dmt h LEU 316 CO 0.03 0.53 0.00 1.56 0.09 0.00 0.00 178.44 180.65 3dmt h GLN 317 N 1.02 0.00 -0.11 1.13 4.20 -1.08 -3.36 115.11 116.92 3dmt h GLN 317 Ca 0.47 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.15 3dmt h GLN 317 Cb 0.41 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3dmt h GLN 317 CO -0.23 0.00 -0.13 0.09 -0.67 0.00 0.00 178.83 177.89 3dmt n ASN 318 N -3.06 2.53 -4.77 1.46 3.02 -1.05 -4.99 115.26 108.40 3dmt n ASN 318 Ca 0.04 -3.37 -0.23 0.00 -0.03 0.00 0.00 54.58 50.99 3dmt n ASN 318 Cb 0.50 -0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 3dmt n ASN 318 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3dmt s ASN 319 N -2.72 4.84 0.14 6.41 0.01 -1.22 -4.85 114.94 117.55 3dmt s ASN 319 Ca 0.37 -0.72 -0.30 0.00 -0.71 0.00 0.00 52.86 51.50 3dmt s ASN 319 Cb 0.33 -0.77 -0.07 0.00 0.41 0.00 0.00 41.25 41.15 3dmt s ASN 319 CO 0.01 -0.35 1.24 -0.76 -1.51 0.00 0.00 177.10 175.74 3dmt s LEU 320 N -3.90 4.41 0.35 0.60 1.43 -1.26 -4.98 118.68 115.32 3dmt s LEU 320 Ca 0.39 2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 55.40 3dmt s LEU 320 Cb -0.03 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.48 3dmt s LEU 320 CO 0.24 -0.46 1.54 -2.84 0.23 0.00 0.00 176.35 175.05 3dmt s PRO 321 N 0.39 4.10 0.00 1.29 0.02 -1.26 -2.96 135.00 136.58 3dmt s PRO 321 Ca 0.57 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.18 3dmt s PRO 321 Cb -0.33 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3dmt s PRO 321 CO 0.33 -0.59 0.00 1.63 -0.33 0.00 0.00 177.00 178.05 3dmt n LYS 322 N 1.11 -0.34 -1.94 5.54 5.02 -1.26 -4.94 118.16 121.36 3dmt n LYS 322 Ca 0.04 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 56.01 3dmt n LYS 322 Cb 0.38 -3.82 -0.01 0.00 -0.02 0.00 0.00 35.03 31.57 3dmt n LYS 322 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3dmt s GLU 323 N -0.76 4.12 -0.01 1.97 2.56 -1.16 -4.96 118.70 120.47 3dmt s GLU 323 Ca 0.00 2.38 0.08 0.00 0.00 0.00 0.00 54.97 57.43 3dmt s GLU 323 Cb 0.00 -2.94 -0.12 0.00 2.00 0.00 0.00 34.13 33.08 3dmt s GLU 323 CO 0.00 -0.45 0.22 0.54 -0.56 0.00 0.00 175.26 175.01 3dmt n ARG 324 N 0.44 1.23 0.00 4.30 1.74 -1.26 -4.35 116.66 118.77 3dmt n ARG 324 Ca 0.01 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3dmt n ARG 324 Cb 0.41 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 3dmt n ARG 324 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dmt n ARG 325 N -1.64 0.23 -3.68 5.56 5.12 -1.26 -0.27 116.66 120.73 3dmt n ARG 325 Ca -0.01 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.52 3dmt n ARG 325 Cb 0.19 -0.54 -0.11 0.00 -1.16 0.00 0.00 32.46 30.85 3dmt n ARG 325 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3dmt s PHE 326 N -1.08 3.35 0.09 -1.55 5.36 -1.26 0.30 117.98 123.20 3dmt s PHE 326 Ca 0.00 -1.65 0.06 0.00 -0.96 0.00 0.00 56.93 54.38 3dmt s PHE 326 Cb 0.00 -2.80 -0.03 0.00 -0.34 0.00 0.00 43.02 39.84 3dmt s PHE 326 CO 0.00 -0.84 -0.15 -0.06 -1.46 0.00 0.00 175.22 172.71 3dmt s PHE 327 N 1.37 1.34 -0.15 10.12 0.08 -0.18 -4.70 117.98 125.86 3dmt s PHE 327 Ca 0.02 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 3dmt s PHE 327 Cb -0.22 -0.73 -0.01 0.00 -0.57 0.00 0.00 43.02 41.49 3dmt s PHE 327 CO 0.01 0.10 -0.12 0.21 -0.10 0.00 0.00 175.22 175.33 3dmt s LYS 328 N -2.13 3.37 -0.13 0.44 2.20 -1.25 -0.42 119.74 121.82 3dmt s LYS 328 Ca 0.03 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 3dmt s LYS 328 Cb -0.08 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 3dmt s LYS 328 CO 0.03 0.11 -0.21 0.42 -0.36 0.00 0.00 175.35 175.34 3dmt s ILE 329 N 0.62 2.22 -0.23 5.43 1.01 0.28 -4.84 121.20 125.68 3dmt s ILE 329 Ca -0.07 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 3dmt s ILE 329 Cb -0.15 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3dmt s ILE 329 CO 0.03 0.54 0.12 -0.69 0.00 0.00 0.00 174.94 174.94 3dmt s VAL 330 N 0.69 4.98 -0.04 2.92 1.01 -1.26 -0.27 120.40 128.44 3dmt s VAL 330 Ca -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 3dmt s VAL 330 Cb -0.16 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3dmt s VAL 330 CO 0.01 0.36 0.09 -0.55 0.00 0.00 0.00 175.10 175.01 3dmt s SER 331 N 1.11 -0.06 0.35 3.32 0.15 -0.68 0.46 113.70 118.35 3dmt s SER 331 Ca 0.06 0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.92 3dmt s SER 331 Cb -0.14 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 3dmt s SER 331 CO 0.04 -0.09 0.51 0.26 1.20 0.00 0.00 173.24 175.17 3dmt s TRP 332 N 0.60 3.29 -0.25 3.44 0.52 0.38 0.10 118.94 127.02 3dmt s TRP 332 Ca -0.05 0.05 -0.21 0.00 0.02 0.00 0.00 56.10 55.92 3dmt s TRP 332 Cb -0.06 -1.96 0.07 0.00 -1.15 0.00 0.00 33.47 30.36 3dmt s TRP 332 CO -0.02 0.02 0.65 1.52 0.02 0.00 0.00 176.95 179.14 3dmt s TYR 333 N -2.26 -0.79 -0.72 -1.98 1.13 0.12 -0.19 117.35 112.65 3dmt s TYR 333 Ca 0.42 1.82 -0.26 0.00 -1.41 0.00 0.00 57.07 57.64 3dmt s TYR 333 Cb -0.10 0.33 0.01 0.00 -1.10 0.00 0.00 41.96 41.10 3dmt s TYR 333 CO 0.33 -0.39 1.57 0.34 -2.51 0.00 0.00 175.55 174.90 3dmt s ASP 334 N 0.68 5.76 0.41 -0.18 -1.08 -1.26 0.57 116.67 121.57 3dmt s ASP 334 Ca -0.03 -0.23 0.14 0.00 -0.52 0.00 0.00 52.55 51.91 3dmt s ASP 334 Cb -0.05 -2.55 0.99 0.00 -1.46 0.00 0.00 42.92 39.85 3dmt s ASP 334 CO -0.04 -2.09 1.90 -0.55 0.52 0.00 0.00 175.17 174.91 3dmt h ASN 335 N 12.06 0.47 0.01 -0.34 -1.07 -1.89 0.34 115.58 125.16 3dmt h ASN 335 Ca -0.21 0.03 -0.00 0.00 0.07 0.00 0.00 56.30 56.19 3dmt h ASN 335 Cb 1.09 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.27 3dmt h ASN 335 CO 1.26 0.24 -0.00 -0.33 0.07 0.00 0.00 177.43 178.67 3dmt h GLU 336 N 0.50 -0.01 0.15 4.14 5.08 -1.97 -3.36 114.58 119.11 3dmt h GLU 336 Ca 0.40 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.52 3dmt h GLU 336 Cb 0.83 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.10 3dmt h GLU 336 CO -0.15 0.76 -1.10 2.35 -1.00 0.00 0.00 179.01 179.87 3dmt h TRP 337 N -0.81 0.59 0.44 4.33 2.91 -1.71 -2.54 115.95 119.16 3dmt h TRP 337 Ca -0.00 -0.43 -0.02 0.00 1.13 0.00 0.00 58.89 59.56 3dmt h TRP 337 Cb 0.77 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.40 3dmt h TRP 337 CO 0.20 1.42 -0.21 0.78 -1.03 0.00 0.00 178.44 179.60 3dmt h GLY 338 N -0.15 -0.61 0.26 2.65 0.00 -0.98 -1.86 103.07 102.39 3dmt h GLY 338 Ca -0.21 0.23 0.12 0.00 0.00 0.00 0.00 47.33 47.47 3dmt h GLY 338 CO 0.15 -0.22 0.32 -1.82 0.00 0.00 0.00 176.54 174.96 3dmt h TYR 339 N -0.76 0.55 -0.40 5.60 5.03 -1.69 -1.08 116.97 124.21 3dmt h TYR 339 Ca -0.06 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.20 3dmt h TYR 339 Cb 0.53 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 3dmt h TYR 339 CO -0.01 0.12 -0.10 0.77 -1.32 0.00 0.00 178.16 177.62 3dmt h SER 340 N 0.49 0.68 -0.57 -2.11 0.02 -1.32 -0.65 113.55 110.09 3dmt h SER 340 Ca 0.39 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3dmt h SER 340 Cb 0.53 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3dmt h SER 340 CO -0.35 0.81 0.23 0.45 -1.14 0.00 0.00 176.83 176.83 3dmt h HIS 341 N 0.64 0.87 -0.62 3.45 3.86 -0.65 -2.92 115.15 119.78 3dmt h HIS 341 Ca 0.11 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3dmt h HIS 341 Cb 0.54 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3dmt h HIS 341 CO 0.02 0.70 0.41 0.00 0.86 0.00 0.00 177.93 179.92 3dmt h ARG 342 N 0.78 0.82 0.00 2.45 2.47 -0.43 -0.25 114.38 120.22 3dmt h ARG 342 Ca 0.19 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3dmt h ARG 342 Cb 0.19 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3dmt h ARG 342 CO -0.02 0.55 -0.00 0.28 0.56 0.00 0.00 179.97 181.34 3dmt h VAL 343 N 0.84 1.02 -0.44 2.04 2.07 -0.97 0.30 116.25 121.12 3dmt h VAL 343 Ca 0.23 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.72 3dmt h VAL 343 Cb -0.09 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3dmt h VAL 343 CO -0.05 0.02 0.23 0.58 0.02 0.00 0.00 177.57 178.37 3dmt h VAL 344 N -0.03 0.99 -0.67 2.57 2.07 -1.31 0.65 116.25 120.52 3dmt h VAL 344 Ca -0.00 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.41 3dmt h VAL 344 Cb 0.03 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 3dmt h VAL 344 CO 0.00 0.08 0.40 0.44 0.02 0.00 0.00 177.57 178.51 3dmt h ASP 345 N 0.46 0.62 0.62 0.57 3.32 -0.49 0.12 116.42 121.64 3dmt h ASP 345 Ca 0.18 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3dmt h ASP 345 Cb 0.07 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.52 3dmt h ASP 345 CO -0.12 0.41 -0.30 0.25 -1.72 0.00 0.00 179.24 177.77 3dmt h LEU 346 N 0.75 -0.71 -0.68 1.55 5.85 0.12 0.15 115.31 122.34 3dmt h LEU 346 Ca 0.29 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.14 3dmt h LEU 346 Cb 0.11 0.18 -0.12 0.00 0.37 0.00 0.00 40.66 41.20 3dmt h LEU 346 CO -0.15 -0.42 -0.08 0.58 -0.34 0.00 0.00 178.44 178.03 3dmt h VAL 347 N -0.96 0.37 -0.57 1.05 2.07 -0.72 0.15 116.25 117.64 3dmt h VAL 347 Ca -0.09 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3dmt h VAL 347 Cb 0.68 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3dmt h VAL 347 CO 0.14 0.01 0.15 0.03 0.02 0.00 0.00 177.57 177.92 3dmt h ARG 348 N 0.05 0.87 -0.30 1.57 3.08 -0.54 -1.00 114.38 118.11 3dmt h ARG 348 Ca 0.34 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 60.05 3dmt h ARG 348 Cb 0.56 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3dmt h ARG 348 CO -0.64 0.78 -0.45 1.25 -1.07 0.00 0.00 179.97 179.83 3dmt h HIS 349 N 0.84 1.04 -0.60 3.04 2.76 0.54 -2.20 115.15 120.57 3dmt h HIS 349 Ca 0.19 -0.35 -0.03 0.00 -2.20 0.00 0.00 60.37 57.98 3dmt h HIS 349 Cb 0.29 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 3dmt h HIS 349 CO 0.02 1.16 0.24 0.52 -1.30 0.00 0.00 177.93 178.57 3dmt h MET 350 N 0.62 0.87 -0.17 5.26 2.86 -0.59 -2.04 114.93 121.74 3dmt h MET 350 Ca 0.03 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.43 3dmt h MET 350 Cb 1.05 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3dmt h MET 350 CO 0.10 0.71 -0.30 0.00 1.06 0.00 0.00 176.91 178.48 3dmt h ALA 351 N 1.41 0.26 -0.80 6.32 0.00 -0.93 0.26 119.26 125.77 3dmt h ALA 351 Ca 0.20 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3dmt h ALA 351 Cb 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3dmt h ALA 351 CO -0.02 0.28 0.49 0.66 0.00 0.00 0.00 179.25 180.66 3dmt h SER 352 N 0.14 0.76 0.22 0.00 4.64 -1.38 0.43 113.55 118.35 3dmt h SER 352 Ca 0.01 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 3dmt h SER 352 Cb 0.89 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3dmt h SER 352 CO 0.07 0.49 -0.56 0.11 -0.87 0.00 0.00 176.83 176.06 3dmt h LYS 353 N 0.89 0.36 -0.22 4.77 1.79 -1.22 -1.02 116.57 121.93 3dmt h LYS 353 Ca 0.35 -0.23 -0.11 0.00 -2.18 0.00 0.00 60.65 58.48 3dmt h LYS 353 Cb 0.17 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3dmt h LYS 353 CO -0.17 0.83 -0.34 -0.44 -1.08 0.00 0.00 179.45 178.24 3dmt h ASP 354 N 0.28 0.47 0.16 0.86 3.32 -0.15 -2.03 116.42 119.33 3dmt h ASP 354 Ca 0.00 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3dmt h ASP 354 Cb 1.07 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3dmt h ASP 354 CO 0.09 0.79 -0.08 0.03 -1.72 0.00 0.00 179.24 178.35 3dmt h ARG 355 N 0.39 -0.21 -0.28 3.56 -0.00 -0.67 -2.90 114.38 114.27 3dmt h ARG 355 Ca 0.04 0.01 0.05 0.00 -0.50 0.00 0.00 59.98 59.59 3dmt h ARG 355 Cb 0.79 0.05 -0.04 0.00 0.00 0.00 0.00 29.97 30.77 3dmt h ARG 355 CO 0.06 -0.06 0.01 0.77 0.00 0.00 0.00 179.97 180.76 3dmt h SER 356 N -0.33 -0.09 0.48 7.04 0.02 -1.15 -0.98 113.55 118.54 3dmt h SER 356 Ca -0.02 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3dmt h SER 356 Cb 0.26 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3dmt h SER 356 CO 0.04 -0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 3dmt n ALA 357 N -2.40 1.80 -0.09 3.77 0.00 -0.77 -3.76 120.51 119.05 3dmt n ALA 357 Ca -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 3dmt n ALA 357 Cb 0.14 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 3dmt n ALA 357 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3dmt n ARG 358 N -1.43 0.49 0.00 0.00 1.85 -0.89 -5.07 116.66 111.61 3dmt n ARG 358 Ca 0.05 0.20 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 3dmt n ARG 358 Cb 0.17 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3dmt n ARG 358 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09