#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmt s LYS 2 N 0.00 2.75 -0.28 0.03 2.20 -0.54 -0.60 119.74 123.30 1pmt s LYS 2 Ca 0.00 -0.87 -0.15 0.00 -0.36 0.00 0.00 55.97 54.59 1pmt s LYS 2 Cb 0.00 -2.55 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 1pmt s LYS 2 CO 0.00 -0.27 0.37 -1.17 -0.36 0.00 0.00 175.35 173.92 1pmt s LEU 3 N 1.29 4.09 0.09 5.43 2.96 -0.40 -0.84 118.68 131.31 1pmt s LEU 3 Ca 0.03 0.20 -0.23 0.00 -0.22 0.00 0.00 54.13 53.91 1pmt s LEU 3 Cb -0.14 -2.41 -0.07 0.00 0.50 0.00 0.00 46.19 44.07 1pmt s LEU 3 CO -0.11 -0.21 0.70 -0.31 -1.32 0.00 0.00 176.35 175.10 1pmt s TYR 4 N 2.07 3.80 0.33 5.38 1.51 -0.47 -2.21 117.35 127.76 1pmt s TYR 4 Ca 0.14 1.45 -0.11 0.00 -1.01 0.00 0.00 57.07 57.54 1pmt s TYR 4 Cb -0.16 -2.70 0.02 0.00 -0.11 0.00 0.00 41.96 39.01 1pmt s TYR 4 CO 0.10 0.44 0.59 1.52 -1.11 0.00 0.00 175.55 177.09 1pmt s TYR 5 N -0.68 0.50 -0.03 2.71 1.13 -0.90 -3.39 117.35 116.70 1pmt s TYR 5 Ca 0.34 -0.92 -0.00 0.00 -1.41 0.00 0.00 57.07 55.08 1pmt s TYR 5 Cb -0.21 0.34 0.03 0.00 -1.10 0.00 0.00 41.96 41.02 1pmt s TYR 5 CO 0.22 -1.25 0.05 0.99 -2.51 0.00 0.00 175.55 173.06 1pmt s THR 6 N -3.13 -0.06 0.02 -3.49 2.01 -1.26 -0.02 115.64 109.70 1pmt s THR 6 Ca 0.22 0.22 -0.34 0.00 0.31 0.00 0.00 61.69 62.10 1pmt s THR 6 Cb -0.02 -0.11 -0.13 0.00 0.01 0.00 0.00 72.50 72.25 1pmt s THR 6 CO 0.14 0.09 1.73 -2.65 -0.69 0.00 0.00 174.62 173.24 1pmt n PRO 7 N 4.24 2.10 0.00 4.92 -0.02 -1.26 -2.08 135.00 142.91 1pmt n PRO 7 Ca -0.27 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1pmt n PRO 7 Cb 0.50 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1pmt n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pmt n GLY 8 N 3.91 2.40 0.00 -1.23 0.00 -1.26 -5.03 105.19 103.99 1pmt n GLY 8 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1pmt n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pmt n SER 9 N 0.00 -0.08 0.15 1.61 2.88 -0.88 -4.90 113.62 112.40 1pmt n SER 9 Ca 0.00 -0.14 0.13 0.00 -1.33 0.00 0.00 58.87 57.53 1pmt n SER 9 Cb 0.00 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 63.90 1pmt n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pmt n SER 11 N -2.49 0.37 0.03 0.00 3.41 -1.26 -1.75 113.62 111.93 1pmt n SER 11 Ca 0.04 0.63 0.04 0.00 -0.26 0.00 0.00 58.87 59.32 1pmt n SER 11 Cb 0.36 -0.69 0.44 0.00 -0.26 0.00 0.00 64.21 64.06 1pmt n SER 11 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1pmt h LEU 12 N 0.00 0.42 0.97 1.04 5.85 -1.82 -2.32 115.31 119.45 1pmt h LEU 12 Ca 0.00 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1pmt h LEU 12 Cb 0.15 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.08 1pmt h LEU 12 CO 0.00 0.31 -0.48 -1.28 -0.34 0.00 0.00 178.44 176.66 1pmt h SER 13 N 0.49 -1.15 0.42 1.25 0.87 -1.60 -0.43 113.55 113.40 1pmt h SER 13 Ca 0.13 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1pmt h SER 13 Cb -0.03 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1pmt h SER 13 CO -0.03 -0.80 -0.02 -0.65 -0.53 0.00 0.00 176.83 174.80 1pmt h PRO 14 N -1.32 0.00 0.27 2.24 0.11 -1.72 -1.75 132.00 129.83 1pmt h PRO 14 Ca -0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1pmt h PRO 14 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1pmt h PRO 14 CO 0.21 0.02 -0.13 1.25 -0.21 0.00 0.00 178.00 179.14 1pmt h HIS 15 N 0.00 -0.33 -0.90 0.65 2.76 -1.10 0.59 115.15 116.82 1pmt h HIS 15 Ca -0.00 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.30 1pmt h HIS 15 Cb 0.23 0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.23 1pmt h HIS 15 CO 0.00 0.02 0.58 0.82 -1.30 0.00 0.00 177.93 178.05 1pmt h ILE 16 N -0.80 0.85 -0.15 6.26 2.04 -0.61 -1.42 117.51 123.67 1pmt h ILE 16 Ca -0.04 -0.25 -0.18 0.00 1.00 0.00 0.00 64.86 65.39 1pmt h ILE 16 Cb 0.51 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1pmt h ILE 16 CO 0.06 0.14 -0.63 0.58 0.00 0.00 0.00 178.15 178.30 1pmt h VAL 17 N 0.74 1.33 -1.01 1.67 2.07 -1.17 -2.80 116.25 117.09 1pmt h VAL 17 Ca 0.45 -1.92 0.02 0.00 0.82 0.00 0.00 66.70 66.07 1pmt h VAL 17 Cb 0.67 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 1pmt h VAL 17 CO -0.21 0.59 0.66 -0.07 0.02 0.00 0.00 177.57 178.57 1pmt h LEU 18 N 0.40 1.14 -0.08 2.57 3.38 0.24 -2.13 115.31 120.84 1pmt h LEU 18 Ca -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1pmt h LEU 18 Cb 1.19 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1pmt h LEU 18 CO 0.12 0.81 -0.07 0.03 0.09 0.00 0.00 178.44 179.42 1pmt h ARG 19 N 1.33 0.18 -0.28 1.13 3.08 -1.47 -2.88 114.38 115.49 1pmt h ARG 19 Ca 0.38 -0.09 0.08 0.00 0.07 0.00 0.00 59.98 60.42 1pmt h ARG 19 Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1pmt h ARG 19 CO -0.09 0.60 0.24 0.93 -1.07 0.00 0.00 179.97 180.57 1pmt h GLU 20 N -0.23 0.00 0.00 0.04 4.39 -1.30 0.98 114.58 118.46 1pmt h GLU 20 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1pmt h GLU 20 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1pmt h GLU 20 CO 0.02 0.00 -0.19 2.41 -1.16 0.00 0.00 179.01 180.09 1pmt n THR 21 N -4.11 0.30 -3.63 1.13 -1.04 -0.82 -4.94 114.28 101.17 1pmt n THR 21 Ca 0.04 -0.16 -0.21 0.00 -2.04 0.00 0.00 64.05 61.67 1pmt n THR 21 Cb 0.39 -0.37 0.04 0.00 -1.82 0.00 0.00 70.33 68.58 1pmt n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pmt n GLY 22 N 1.39 -0.38 3.93 3.41 0.00 0.34 -4.99 105.19 108.89 1pmt n GLY 22 Ca 0.06 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1pmt n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pmt s LEU 23 N -6.55 3.04 -0.40 0.99 1.43 -1.17 -5.07 118.68 110.95 1pmt s LEU 23 Ca 0.05 -0.97 -0.16 0.00 -1.03 0.00 0.00 54.13 52.02 1pmt s LEU 23 Cb -0.01 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1pmt s LEU 23 CO 0.80 -1.02 0.37 -1.81 0.23 0.00 0.00 176.35 174.92 1pmt s ASP 24 N -4.34 6.16 0.08 2.29 1.11 -1.26 -4.94 116.67 115.76 1pmt s ASP 24 Ca 0.46 -0.66 -0.08 0.00 0.18 0.00 0.00 52.55 52.45 1pmt s ASP 24 Cb -0.04 -2.20 -0.00 0.00 1.07 0.00 0.00 42.92 41.75 1pmt s ASP 24 CO 0.28 -0.49 0.18 0.72 1.18 0.00 0.00 175.17 177.04 1pmt s PHE 25 N 1.96 0.15 -0.02 4.23 -0.71 -1.26 -3.26 117.98 119.07 1pmt s PHE 25 Ca 0.10 -0.55 0.06 0.00 -1.04 0.00 0.00 56.93 55.50 1pmt s PHE 25 Cb -0.18 -0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.55 1pmt s PHE 25 CO 0.12 -0.51 -0.21 -1.54 -1.34 0.00 0.00 175.22 171.74 1pmt s SER 26 N -2.70 2.50 0.18 1.98 1.04 0.24 -4.95 113.70 111.98 1pmt s SER 26 Ca 0.03 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.14 1pmt s SER 26 Cb 0.04 -0.39 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 1pmt s SER 26 CO -0.09 0.24 0.01 0.27 0.98 0.00 0.00 173.24 174.65 1pmt s ILE 27 N -0.38 3.78 -0.14 -1.02 -4.36 -1.26 -1.27 121.20 116.55 1pmt s ILE 27 Ca 0.05 -1.42 -0.06 0.00 -0.26 0.00 0.00 60.65 58.97 1pmt s ILE 27 Cb -0.09 -2.91 0.06 0.00 1.25 0.00 0.00 42.46 40.77 1pmt s ILE 27 CO 0.00 -0.12 0.30 -0.70 0.24 0.00 0.00 174.94 174.66 1pmt s GLU 28 N -2.99 0.22 0.61 0.37 2.12 -0.94 -4.94 118.70 113.16 1pmt s GLU 28 Ca 0.28 0.74 -0.18 0.00 0.36 0.00 0.00 54.97 56.16 1pmt s GLU 28 Cb -0.09 -0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 1pmt s GLU 28 CO 0.19 -0.23 1.22 0.50 -0.54 0.00 0.00 175.26 176.40 1pmt s ARG 29 N 1.99 2.84 -0.06 4.30 3.00 -1.26 -2.11 118.95 127.66 1pmt s ARG 29 Ca -0.04 1.84 0.03 0.00 -1.00 0.00 0.00 55.73 56.56 1pmt s ARG 29 Cb -0.11 -1.91 0.00 0.00 0.00 0.00 0.00 34.95 32.93 1pmt s ARG 29 CO -0.10 -1.31 -0.15 0.42 0.00 0.00 0.00 175.30 174.16 1pmt s ILE 30 N -1.63 1.31 -0.51 4.11 -1.09 0.97 -1.59 121.20 122.77 1pmt s ILE 30 Ca 0.78 -0.61 -0.19 0.00 -2.23 0.00 0.00 60.65 58.39 1pmt s ILE 30 Cb -0.31 -1.16 0.06 0.00 -1.58 0.00 0.00 42.46 39.48 1pmt s ILE 30 CO 0.35 0.39 0.63 -0.62 -1.23 0.00 0.00 174.94 174.46 1pmt s ASP 31 N 0.36 6.22 0.59 3.58 2.15 0.87 -4.63 116.67 125.81 1pmt s ASP 31 Ca -0.10 -0.94 0.37 0.00 0.43 0.00 0.00 52.55 52.30 1pmt s ASP 31 Cb -0.14 -2.29 1.76 0.00 -0.30 0.00 0.00 42.92 41.95 1pmt s ASP 31 CO 0.03 -0.90 2.14 -0.07 -0.17 0.00 0.00 175.17 176.20 1pmt h LEU 32 N 9.72 0.00 0.00 -1.34 4.07 -1.96 0.17 115.31 125.96 1pmt h LEU 32 Ca -0.28 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.46 1pmt h LEU 32 Cb 1.09 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.80 1pmt h LEU 32 CO 0.97 0.02 -1.15 -0.09 -1.08 0.00 0.00 178.44 177.11 1pmt h ARG 33 N 0.00 0.00 0.00 1.13 2.43 -1.96 -3.34 114.38 112.64 1pmt h ARG 33 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pmt h ARG 33 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1pmt h ARG 33 CO 0.00 0.88 -0.68 0.25 -1.51 0.00 0.00 179.97 178.91 1pmt n THR 34 N -3.28 0.00 -3.29 0.20 -2.24 -1.14 -4.98 114.28 99.54 1pmt n THR 34 Ca -0.04 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 1pmt n THR 34 Cb 0.96 0.98 0.06 0.00 -2.10 0.00 0.00 70.33 70.23 1pmt n THR 34 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pmt n LYS 35 N -1.34 -6.27 -4.63 -0.78 4.76 0.56 -4.96 118.16 105.49 1pmt n LYS 35 Ca 0.03 0.81 -0.26 0.00 -2.87 0.00 0.00 58.31 56.01 1pmt n LYS 35 Cb 0.22 -5.63 -0.14 0.00 -1.84 0.00 0.00 35.03 27.65 1pmt n LYS 35 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pmt s LYS 36 N -5.98 1.41 0.67 1.97 1.02 -0.99 -1.62 119.74 116.22 1pmt s LYS 36 Ca 0.44 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 1pmt s LYS 36 Cb -0.19 -1.57 -0.00 0.00 -0.52 0.00 0.00 37.83 35.55 1pmt s LYS 36 CO 0.54 0.40 1.06 0.95 -0.92 0.00 0.00 175.35 177.38 1pmt s THR 37 N -0.85 3.86 0.19 2.17 -4.23 -0.29 -0.09 115.64 116.39 1pmt s THR 37 Ca 0.08 0.70 0.31 0.00 -1.18 0.00 0.00 61.69 61.60 1pmt s THR 37 Cb -0.09 -3.33 0.31 0.00 1.34 0.00 0.00 72.50 70.73 1pmt s THR 37 CO 0.02 -0.70 1.95 1.05 -0.54 0.00 0.00 174.62 176.40 1pmt h GLU 38 N -0.36 0.00 -0.06 3.99 4.11 -1.65 0.72 114.58 121.33 1pmt h GLU 38 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1pmt h GLU 38 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1pmt h GLU 38 CO 0.56 0.00 0.00 0.45 0.07 0.00 0.00 179.01 180.09 1pmt n SER 39 N -2.60 1.61 0.00 3.06 2.88 -1.26 -4.94 113.62 112.37 1pmt n SER 39 Ca -0.02 -1.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 1pmt n SER 39 Cb 0.07 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1pmt n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pmt n GLY 40 N 1.17 0.55 3.89 0.46 0.00 0.25 -5.07 105.19 106.43 1pmt n GLY 40 Ca 0.18 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 1pmt n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pmt s LYS 41 N -2.43 3.24 -0.33 1.61 1.02 -1.25 -4.81 119.74 116.79 1pmt s LYS 41 Ca 0.00 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 55.03 1pmt s LYS 41 Cb 0.00 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1pmt s LYS 41 CO 0.00 0.52 1.91 0.34 -0.92 0.00 0.00 175.35 177.20 1pmt s ASP 42 N -3.10 5.71 0.44 2.83 2.15 -1.26 -1.14 116.67 122.30 1pmt s ASP 42 Ca 0.33 1.35 0.24 0.00 0.43 0.00 0.00 52.55 54.90 1pmt s ASP 42 Cb -0.11 -2.52 0.82 0.00 -0.30 0.00 0.00 42.92 40.81 1pmt s ASP 42 CO 0.27 -1.85 1.78 0.15 -0.17 0.00 0.00 175.17 175.35 1pmt h PHE 43 N 13.69 0.00 0.00 -5.34 3.57 -1.66 -3.05 116.94 124.16 1pmt h PHE 43 Ca -0.34 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.14 1pmt h PHE 43 Cb 1.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1pmt h PHE 43 CO 0.96 0.20 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.08 1pmt h LEU 44 N 0.00 0.00 0.00 0.59 3.38 -1.74 0.16 115.31 117.70 1pmt h LEU 44 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pmt h LEU 44 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1pmt h LEU 44 CO 0.03 0.09 -0.07 0.00 0.09 0.00 0.00 178.44 178.58 1pmt n ALA 45 N -2.16 2.36 -0.08 1.53 0.00 -1.15 -2.54 120.51 118.47 1pmt n ALA 45 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1pmt n ALA 45 Cb 0.34 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 1pmt n ALA 45 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1pmt n ILE 46 N -2.23 1.61 -3.65 0.00 5.41 -0.56 -4.81 119.36 115.13 1pmt n ILE 46 Ca 0.05 -0.32 -0.29 0.00 1.00 0.00 0.00 62.75 63.19 1pmt n ILE 46 Cb 0.43 -1.87 -0.16 0.00 -0.71 0.00 0.00 39.64 37.33 1pmt n ILE 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1pmt s ASN 47 N -6.99 3.45 0.55 4.38 2.47 -0.06 -5.00 114.94 113.75 1pmt s ASN 47 Ca -0.29 -1.24 0.25 0.00 0.42 0.00 0.00 52.86 52.00 1pmt s ASN 47 Cb 0.08 -0.56 1.46 0.00 -1.45 0.00 0.00 41.25 40.78 1pmt s ASN 47 CO 0.63 -0.39 2.04 -0.65 -3.72 0.00 0.00 177.10 175.01 1pmt h PRO 48 N 8.27 0.00 0.00 0.43 0.11 -1.74 0.95 132.00 140.02 1pmt h PRO 48 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1pmt h PRO 48 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1pmt h PRO 48 CO 0.41 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.83 1pmt n LYS 49 N -4.18 0.07 -2.99 1.05 5.02 -1.26 -4.93 118.16 110.93 1pmt n LYS 49 Ca 0.05 0.24 -0.22 0.00 -2.02 0.00 0.00 58.31 56.37 1pmt n LYS 49 Cb 0.45 -1.61 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 1pmt n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pmt n GLY 50 N 0.39 -0.51 3.38 0.72 0.00 0.33 -5.00 105.19 104.49 1pmt n GLY 50 Ca 0.04 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1pmt n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pmt s GLN 51 N -5.66 1.63 0.21 1.61 -0.21 -1.26 -5.07 119.66 110.91 1pmt s GLN 51 Ca 0.27 -1.93 0.12 0.00 0.02 0.00 0.00 55.36 53.84 1pmt s GLN 51 Cb -0.13 -0.36 -0.05 0.00 1.00 0.00 0.00 33.01 33.47 1pmt s GLN 51 CO 0.34 -0.38 -0.23 0.14 -2.12 0.00 0.00 175.29 173.04 1pmt s VAL 52 N -3.51 2.38 0.59 1.09 -7.23 -1.26 -4.56 120.40 107.89 1pmt s VAL 52 Ca 0.34 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 1pmt s VAL 52 Cb 0.06 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1pmt s VAL 52 CO 0.16 -0.18 0.99 -2.16 -0.31 0.00 0.00 175.10 173.59 1pmt s PRO 53 N -2.87 3.62 0.01 4.82 0.04 -1.26 -4.63 135.00 134.72 1pmt s PRO 53 Ca 0.23 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1pmt s PRO 53 Cb -0.07 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1pmt s PRO 53 CO 0.11 -0.50 -0.01 0.08 0.04 0.00 0.00 177.00 176.72 1pmt s VAL 54 N -3.08 0.04 -0.06 -0.36 1.01 -1.22 -3.85 120.40 112.88 1pmt s VAL 54 Ca 0.54 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1pmt s VAL 54 Cb -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.19 1pmt s VAL 54 CO 0.51 -0.15 -0.13 -0.22 0.00 0.00 0.00 175.10 175.12 1pmt s LEU 55 N -0.44 1.69 -0.24 3.92 2.96 -0.47 -1.37 118.68 124.74 1pmt s LEU 55 Ca -0.05 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1pmt s LEU 55 Cb -0.03 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1pmt s LEU 55 CO -0.00 0.05 0.12 -1.10 -1.32 0.00 0.00 176.35 174.10 1pmt s GLN 56 N 0.54 3.91 0.55 1.98 -0.21 -0.02 -0.72 119.66 125.69 1pmt s GLN 56 Ca -0.12 -0.35 -0.03 0.00 0.02 0.00 0.00 55.36 54.87 1pmt s GLN 56 Cb -0.15 -3.42 0.01 0.00 1.00 0.00 0.00 33.01 30.45 1pmt s GLN 56 CO 0.03 -0.00 0.83 -0.51 -2.12 0.00 0.00 175.29 173.52 1pmt s LEU 57 N 1.18 3.34 0.09 2.90 1.43 -0.32 -1.46 118.68 125.83 1pmt s LEU 57 Ca 0.06 0.51 0.09 0.00 -1.03 0.00 0.00 54.13 53.75 1pmt s LEU 57 Cb -0.14 -3.34 0.43 0.00 0.03 0.00 0.00 46.19 43.16 1pmt s LEU 57 CO 0.05 -0.99 1.26 0.47 0.23 0.00 0.00 176.35 177.37 1pmt n ASP 58 N -2.43 0.18 -1.31 2.29 8.00 -1.26 -1.43 116.55 120.59 1pmt n ASP 58 Ca 0.04 0.57 0.08 0.00 0.71 0.00 0.00 54.79 56.19 1pmt n ASP 58 Cb 0.58 -0.60 0.31 0.00 -0.02 0.00 0.00 41.12 41.39 1pmt n ASP 58 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1pmt n ASN 59 N -1.73 4.48 0.00 -2.24 6.94 -1.26 -4.94 115.26 116.51 1pmt n ASN 59 Ca 0.00 -2.69 0.00 0.00 -0.02 0.00 0.00 54.58 51.87 1pmt n ASN 59 Cb 0.04 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 36.92 1pmt n ASN 59 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pmt n GLY 60 N 0.39 1.23 3.77 4.83 0.00 -0.51 -5.02 105.19 109.88 1pmt n GLY 60 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1pmt n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pmt s ASP 61 N -3.13 7.43 -0.15 1.61 2.15 -1.26 -4.81 116.67 118.51 1pmt s ASP 61 Ca 0.00 1.88 -0.07 0.00 0.43 0.00 0.00 52.55 54.79 1pmt s ASP 61 Cb 0.00 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.99 1pmt s ASP 61 CO 0.00 -0.00 0.10 -0.63 -0.17 0.00 0.00 175.17 174.47 1pmt s ILE 62 N -1.47 5.11 -0.24 4.11 -1.09 -1.26 -1.18 121.20 125.18 1pmt s ILE 62 Ca 0.47 0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.99 1pmt s ILE 62 Cb -0.21 -3.26 0.05 0.00 -1.58 0.00 0.00 42.46 37.45 1pmt s ILE 62 CO 0.27 0.53 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.62 1pmt s LEU 63 N -0.28 3.13 0.48 2.97 1.43 0.11 -4.98 118.68 121.54 1pmt s LEU 63 Ca 0.10 -1.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.05 1pmt s LEU 63 Cb -0.12 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.62 1pmt s LEU 63 CO 0.01 -0.15 0.60 0.42 0.23 0.00 0.00 176.35 177.46 1pmt s THR 64 N 1.15 2.56 0.01 5.49 -4.23 -1.26 -1.37 115.64 117.99 1pmt s THR 64 Ca -0.06 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1pmt s THR 64 Cb -0.18 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1pmt s THR 64 CO -0.07 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.39 1pmt n GLU 65 N -1.93 -0.56 -0.25 3.99 -0.58 -1.25 -4.42 120.64 115.64 1pmt n GLU 65 Ca 0.09 0.85 -0.12 0.00 -0.42 0.00 0.00 57.16 57.56 1pmt n GLU 65 Cb 0.61 -0.81 -0.09 0.00 -0.57 0.00 0.00 31.44 30.57 1pmt n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1pmt h GLY 66 N 0.45 -0.91 0.49 0.62 0.00 -1.93 -0.92 103.07 100.88 1pmt h GLY 66 Ca 0.00 0.74 0.17 0.00 0.00 0.00 0.00 47.33 48.24 1pmt h GLY 66 CO 0.00 -0.06 0.56 -2.08 0.00 0.00 0.00 176.54 174.96 1pmt h VAL 67 N -0.24 0.76 -0.15 4.60 2.07 -1.94 0.78 116.25 122.13 1pmt h VAL 67 Ca 0.11 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1pmt h VAL 67 Cb 0.53 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1pmt h VAL 67 CO -0.73 0.09 -0.27 0.00 0.02 0.00 0.00 177.57 176.68 1pmt h ALA 68 N 1.62 0.23 0.71 1.67 0.00 -1.51 -3.15 119.26 118.83 1pmt h ALA 68 Ca 0.43 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1pmt h ALA 68 Cb 0.94 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pmt h ALA 68 CO -0.16 0.23 -0.44 0.82 0.00 0.00 0.00 179.25 179.70 1pmt h ILE 69 N 0.06 0.12 -0.05 0.00 2.04 0.25 -1.45 117.51 118.47 1pmt h ILE 69 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1pmt h ILE 69 Cb 0.86 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1pmt h ILE 69 CO 0.06 0.00 0.13 -0.37 0.00 0.00 0.00 178.15 177.98 1pmt h VAL 70 N -1.08 0.18 0.19 1.67 -1.51 -1.06 -1.73 116.25 112.91 1pmt h VAL 70 Ca -0.09 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 65.06 1pmt h VAL 70 Cb 0.87 0.88 0.02 0.00 -2.13 0.00 0.00 31.29 30.93 1pmt h VAL 70 CO 0.09 0.00 -1.54 1.56 -1.23 0.00 0.00 177.57 176.45 1pmt h GLN 71 N 0.00 0.41 -0.79 5.19 4.20 -1.45 -2.65 115.11 120.02 1pmt h GLN 71 Ca 0.02 -0.70 0.02 0.00 0.06 0.00 0.00 58.65 58.05 1pmt h GLN 71 Cb 0.29 0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 1pmt h GLN 71 CO -0.00 1.33 0.51 -0.92 -0.67 0.00 0.00 178.83 179.09 1pmt h TYR 72 N 0.01 0.97 0.09 2.96 3.20 -0.40 -1.74 116.97 122.06 1pmt h TYR 72 Ca -0.30 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.59 1pmt h TYR 72 Cb 2.03 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.98 1pmt h TYR 72 CO 0.12 0.59 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.12 1pmt h LEU 73 N 1.03 -0.11 -1.85 2.82 3.38 -1.51 -3.14 115.31 115.93 1pmt h LEU 73 Ca 0.30 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.65 1pmt h LEU 73 Cb -0.07 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1pmt h LEU 73 CO -0.08 -0.06 1.02 0.00 0.09 0.00 0.00 178.44 179.41 1pmt h ALA 74 N -1.92 3.20 -0.02 1.53 0.00 -1.48 0.52 119.26 121.09 1pmt h ALA 74 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pmt h ALA 74 Cb 0.10 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pmt h ALA 74 CO 0.02 -1.69 0.00 -0.25 0.00 0.00 0.00 179.25 177.33 1pmt n ASP 75 N -3.91 0.20 -0.09 0.00 9.92 -0.66 -3.36 116.55 118.65 1pmt n ASP 75 Ca 0.28 -1.36 -0.09 0.00 -0.53 0.00 0.00 54.79 53.09 1pmt n ASP 75 Cb 1.43 -0.01 -0.14 0.00 -0.64 0.00 0.00 41.12 41.76 1pmt n ASP 75 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1pmt n LEU 76 N -0.70 0.11 -3.38 0.64 4.77 0.18 -4.67 117.00 113.95 1pmt n LEU 76 Ca 0.16 -0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.87 1pmt n LEU 76 Cb 0.11 0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1pmt n LEU 76 CO 0.12 0.46 0.08 1.17 -1.33 0.00 0.00 177.39 177.90 1pmt n LYS 77 N -2.69 2.57 -0.07 3.23 3.00 -1.21 -4.95 118.16 118.03 1pmt n LYS 77 Ca -0.30 -4.67 -0.08 0.00 -0.00 0.00 0.00 58.31 53.26 1pmt n LYS 77 Cb 1.09 -2.24 -0.01 0.00 0.00 0.00 0.00 35.03 33.86 1pmt n LYS 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1pmt h PRO 78 N 4.07 -0.24 -1.21 1.64 0.11 -1.83 -2.77 132.00 131.78 1pmt h PRO 78 Ca 0.19 0.02 0.41 0.00 0.11 0.00 0.00 66.00 66.73 1pmt h PRO 78 Cb 0.65 0.05 -0.11 0.00 0.11 0.00 0.00 31.00 31.70 1pmt h PRO 78 CO 0.83 -0.16 0.79 -0.40 -0.21 0.00 0.00 178.00 178.85 1pmt n ASP 79 N -5.39 0.15 0.22 -2.05 5.75 -1.26 0.20 116.55 114.18 1pmt n ASP 79 Ca -0.00 1.12 0.15 0.00 -0.01 0.00 0.00 54.79 56.04 1pmt n ASP 79 Cb 0.31 -0.55 0.50 0.00 -1.03 0.00 0.00 41.12 40.34 1pmt n ASP 79 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1pmt h ARG 80 N 0.00 0.00 -5.62 0.11 3.08 -1.88 -3.48 114.38 106.59 1pmt h ARG 80 Ca 0.74 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.56 1pmt h ARG 80 Cb 2.45 0.00 0.12 0.00 0.08 0.00 0.00 29.97 32.62 1pmt h ARG 80 CO -0.34 0.00 -0.65 0.09 -1.07 0.00 0.00 179.97 177.99 1pmt n ASN 81 N -2.89 -6.66 -0.29 7.04 3.02 0.54 -4.91 115.26 111.11 1pmt n ASN 81 Ca 0.02 -0.60 0.11 0.00 -0.03 0.00 0.00 54.58 54.08 1pmt n ASN 81 Cb 0.36 -4.77 -0.03 0.00 -0.61 0.00 0.00 39.78 34.74 1pmt n ASN 81 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pmt n LEU 82 N -2.98 1.57 0.00 3.41 4.77 -1.26 -4.76 117.00 117.74 1pmt n LEU 82 Ca -0.07 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1pmt n LEU 82 Cb 0.59 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1pmt n LEU 82 CO 0.59 0.32 0.00 2.30 -1.33 0.00 0.00 177.39 179.27 1pmt n ILE 83 N -0.64 0.00 -3.98 -0.08 -6.64 -1.26 -1.53 119.36 105.22 1pmt n ILE 83 Ca 0.07 0.00 -0.09 0.00 -1.77 0.00 0.00 62.75 60.96 1pmt n ILE 83 Cb 0.41 0.00 -0.10 0.00 -1.44 0.00 0.00 39.64 38.51 1pmt n ILE 83 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pmt s ALA 84 N -2.00 0.13 0.78 -1.28 0.00 -1.26 -5.00 121.76 113.13 1pmt s ALA 84 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1pmt s ALA 84 Cb 0.00 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.40 1pmt s ALA 84 CO 0.00 -0.27 1.17 -2.14 0.00 0.00 0.00 175.76 174.51 1pmt s PRO 85 N -2.51 1.90 1.30 0.00 0.02 -1.26 -4.79 135.00 129.66 1pmt s PRO 85 Ca -0.06 1.59 -0.19 0.00 0.02 0.00 0.00 61.00 62.36 1pmt s PRO 85 Cb -0.02 -1.82 0.32 0.00 0.02 0.00 0.00 34.50 33.00 1pmt s PRO 85 CO -0.05 -1.98 1.00 -2.14 -0.33 0.00 0.00 177.00 173.50 1pmt s PRO 86 N -4.27 -1.97 0.00 5.54 0.02 -1.26 -2.59 135.00 130.48 1pmt s PRO 86 Ca 0.70 0.28 0.00 0.00 0.02 0.00 0.00 61.00 62.00 1pmt s PRO 86 Cb -0.25 -1.48 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1pmt s PRO 86 CO 0.50 -4.28 0.00 1.63 -0.33 0.00 0.00 177.00 174.52 1pmt n LYS 87 N -5.22 0.00 -1.73 5.54 5.02 -1.26 -4.89 118.16 115.62 1pmt n LYS 87 Ca 0.10 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.07 1pmt n LYS 87 Cb 0.58 -2.94 0.03 0.00 -0.02 0.00 0.00 35.03 32.69 1pmt n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pmt s ALA 88 N -0.32 2.80 -0.02 7.82 0.00 -1.07 -5.00 121.76 125.97 1pmt s ALA 88 Ca 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.82 1pmt s ALA 88 Cb 0.00 -3.16 -0.15 0.00 0.00 0.00 0.00 23.12 19.82 1pmt s ALA 88 CO 0.00 -1.01 1.00 -0.07 0.00 0.00 0.00 175.76 175.69 1pmt h LEU 89 N -0.42 -0.37 -0.97 0.00 -0.00 -1.90 -3.13 115.31 108.53 1pmt h LEU 89 Ca -0.44 -0.18 0.31 0.00 -0.00 0.00 0.00 57.88 57.57 1pmt h LEU 89 Cb 1.21 0.09 -0.15 0.00 -0.00 0.00 0.00 40.66 41.81 1pmt h LEU 89 CO 0.58 0.07 0.43 -0.08 -0.00 0.00 0.00 178.44 179.44 1pmt h GLU 90 N -0.91 0.22 -0.42 1.13 4.81 -1.94 0.38 114.58 117.84 1pmt h GLU 90 Ca -0.04 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1pmt h GLU 90 Cb 0.52 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1pmt h GLU 90 CO 0.07 0.14 0.27 -0.09 -0.73 0.00 0.00 179.01 178.68 1pmt h ARG 91 N 0.22 0.53 -0.00 1.92 9.65 -1.80 -2.18 114.38 122.72 1pmt h ARG 91 Ca 0.69 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.54 1pmt h ARG 91 Cb 1.55 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 30.01 1pmt h ARG 91 CO -0.67 0.35 0.00 1.88 2.80 0.00 0.00 179.97 184.34 1pmt h TYR 92 N 0.55 0.00 0.00 2.20 0.05 -0.19 0.21 116.97 119.78 1pmt h TYR 92 Ca 0.16 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.85 1pmt h TYR 92 Cb -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1pmt h TYR 92 CO -0.05 0.00 -0.43 0.45 -1.05 0.00 0.00 178.16 177.08 1pmt h HIS 93 N 0.00 0.00 -0.03 4.88 3.86 -1.11 -2.62 115.15 120.13 1pmt h HIS 93 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1pmt h HIS 93 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1pmt h HIS 93 CO 0.00 0.43 -0.11 1.96 0.86 0.00 0.00 177.93 181.07 1pmt h GLN 94 N 0.00 0.12 -0.24 2.45 4.20 -0.06 -1.91 115.11 119.67 1pmt h GLN 94 Ca -0.00 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.63 1pmt h GLN 94 Cb 1.18 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1pmt h GLN 94 CO 0.06 0.73 0.16 0.82 -0.67 0.00 0.00 178.83 179.93 1pmt h ILE 95 N -0.45 1.02 -0.38 2.54 5.03 -1.12 0.65 117.51 124.79 1pmt h ILE 95 Ca -0.00 -0.09 -0.12 0.00 -0.12 0.00 0.00 64.86 64.53 1pmt h ILE 95 Cb 0.74 0.74 -0.01 0.00 -3.03 0.00 0.00 36.82 35.26 1pmt h ILE 95 CO 0.02 0.05 -0.21 -0.08 -0.68 0.00 0.00 178.15 177.24 1pmt h GLU 96 N 0.25 0.82 -0.36 2.37 4.81 -1.38 -1.10 114.58 120.00 1pmt h GLU 96 Ca 0.10 -0.37 -0.17 0.00 -0.13 0.00 0.00 59.36 58.79 1pmt h GLU 96 Cb 0.08 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1pmt h GLU 96 CO -0.02 1.00 -0.43 -1.49 -0.73 0.00 0.00 179.01 177.35 1pmt h TRP 97 N 0.62 1.11 -0.79 0.92 4.06 -0.35 -1.94 115.95 119.59 1pmt h TRP 97 Ca 0.08 -0.35 -0.00 0.00 2.06 0.00 0.00 58.89 60.68 1pmt h TRP 97 Cb 0.77 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.67 1pmt h TRP 97 CO 0.06 1.18 0.48 -0.07 -3.56 0.00 0.00 178.44 176.53 1pmt h LEU 98 N 0.73 0.94 -0.67 -4.49 4.07 -0.88 -0.23 115.31 114.78 1pmt h LEU 98 Ca 0.05 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 1pmt h LEU 98 Cb 1.03 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 1pmt h LEU 98 CO 0.10 0.73 0.03 -1.13 -1.08 0.00 0.00 178.44 177.09 1pmt h ASN 99 N 1.08 1.04 -0.20 -0.43 -0.73 -1.02 0.01 115.58 115.32 1pmt h ASN 99 Ca 0.28 -0.28 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1pmt h ASN 99 Cb -0.04 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.26 1pmt h ASN 99 CO -0.05 1.07 0.10 0.15 -0.37 0.00 0.00 177.43 178.33 1pmt h PHE 100 N 0.98 0.29 -0.40 0.67 3.57 -0.90 0.42 116.94 121.58 1pmt h PHE 100 Ca 0.18 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1pmt h PHE 100 Cb 0.52 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1pmt h PHE 100 CO 0.04 0.29 0.19 -0.07 -2.23 0.00 0.00 178.31 176.52 1pmt h LEU 101 N 0.21 0.52 -0.38 0.59 3.38 -0.90 0.16 115.31 118.89 1pmt h LEU 101 Ca 0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1pmt h LEU 101 Cb 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1pmt h LEU 101 CO -0.01 0.50 0.12 0.00 0.09 0.00 0.00 178.44 179.14 1pmt h ALA 102 N 1.04 0.50 0.08 1.53 0.00 -0.78 0.55 119.26 122.18 1pmt h ALA 102 Ca 0.14 -0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 1pmt h ALA 102 Cb 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1pmt h ALA 102 CO -0.02 0.13 -2.02 -1.13 0.00 0.00 0.00 179.25 176.22 1pmt n SER 103 N -4.63 1.74 -0.04 0.00 3.41 0.12 -2.74 113.62 111.48 1pmt n SER 103 Ca -0.01 0.20 -0.18 0.00 -0.26 0.00 0.00 58.87 58.61 1pmt n SER 103 Cb 0.17 -0.55 -0.13 0.00 -0.26 0.00 0.00 64.21 63.44 1pmt n SER 103 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pmt n GLU 104 N -3.33 0.71 -0.08 4.33 -0.58 0.53 -4.13 120.64 118.09 1pmt n GLU 104 Ca -0.31 0.22 -0.09 0.00 -0.42 0.00 0.00 57.16 56.56 1pmt n GLU 104 Cb 1.05 -1.65 -0.04 0.00 -0.57 0.00 0.00 31.44 30.23 1pmt n GLU 104 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1pmt n VAL 105 N -3.33 1.46 0.22 2.62 0.31 -1.08 -3.33 118.33 115.20 1pmt n VAL 105 Ca -0.35 0.14 -0.17 0.00 -0.01 0.00 0.00 64.34 63.95 1pmt n VAL 105 Cb 1.04 -2.31 -0.10 0.00 -0.91 0.00 0.00 33.84 31.56 1pmt n VAL 105 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1pmt h HIS 106 N -1.00 -1.43 0.00 3.52 -0.00 -0.03 -0.38 115.15 115.82 1pmt h HIS 106 Ca -0.08 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1pmt h HIS 106 Cb 0.78 0.58 0.00 0.00 -0.00 0.00 0.00 27.41 28.77 1pmt h HIS 106 CO -0.22 -0.64 0.00 0.87 -0.00 0.00 0.00 177.93 177.94 1pmt h LYS 107 N -0.90 0.00 0.00 5.26 1.79 -1.67 -1.32 116.57 119.73 1pmt h LYS 107 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1pmt h LYS 107 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1pmt h LYS 107 CO -0.15 0.00 0.00 0.78 -1.08 0.00 0.00 179.45 179.00 1pmt h GLY 108 N 1.15 0.00 1.14 3.86 0.00 -1.07 -3.11 103.07 105.05 1pmt h GLY 108 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1pmt h GLY 108 CO 0.00 0.00 -1.59 -0.97 0.00 0.00 0.00 176.54 173.98 1pmt h TYR 109 N 0.00 0.84 -0.26 5.60 0.05 -0.93 -3.41 116.97 118.87 1pmt h TYR 109 Ca 0.00 -0.61 0.04 0.00 0.05 0.00 0.00 58.73 58.20 1pmt h TYR 109 Cb 0.58 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 1pmt h TYR 109 CO 0.00 1.59 -0.12 0.43 -1.05 0.00 0.00 178.16 179.02 1pmt n SER 110 N -3.65 -0.20 0.10 3.88 7.64 -1.18 -0.38 113.62 119.84 1pmt n SER 110 Ca -0.20 0.46 0.05 0.00 1.01 0.00 0.00 58.87 60.19 1pmt n SER 110 Cb 1.09 -0.09 0.48 0.00 -1.01 0.00 0.00 64.21 64.68 1pmt n SER 110 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1pmt h PRO 111 N 0.00 0.32 0.00 1.43 0.11 -1.80 -1.73 132.00 130.33 1pmt h PRO 111 Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1pmt h PRO 111 Cb 0.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1pmt h PRO 111 CO -0.26 0.25 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 1pmt n LEU 112 N -4.46 0.00 -0.00 2.35 4.77 0.49 -2.22 117.00 117.93 1pmt n LEU 112 Ca 0.00 0.36 0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1pmt n LEU 112 Cb 0.11 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1pmt n LEU 112 CO 0.35 -0.18 -0.08 0.49 -1.33 0.00 0.00 177.39 176.64 1pmt n PHE 113 N -1.36 0.00 -3.14 -1.77 3.72 -0.66 -5.00 117.46 109.25 1pmt n PHE 113 Ca 0.06 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.10 1pmt n PHE 113 Cb 0.13 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 1pmt n PHE 113 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1pmt s SER 114 N -2.17 7.03 0.04 4.37 0.01 -0.94 -4.98 113.70 117.06 1pmt s SER 114 Ca 0.03 1.37 0.02 0.00 1.31 0.00 0.00 55.95 58.68 1pmt s SER 114 Cb 0.08 -2.40 -0.25 0.00 0.21 0.00 0.00 66.02 63.66 1pmt s SER 114 CO 0.46 0.05 0.99 -1.28 0.41 0.00 0.00 173.24 173.86 1pmt h SER 115 N 3.46 0.23 0.00 2.44 0.87 -1.95 -3.30 113.55 115.31 1pmt h SER 115 Ca -0.48 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 1pmt h SER 115 Cb 1.19 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1pmt h SER 115 CO 0.65 1.25 0.00 -0.90 -0.53 0.00 0.00 176.83 177.30 1pmt n ASP 116 N -3.38 0.00 -4.64 6.23 5.68 -1.26 -4.79 116.55 114.39 1pmt n ASP 116 Ca -0.11 -1.73 -0.42 0.00 -0.50 0.00 0.00 54.79 52.03 1pmt n ASP 116 Cb 1.01 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.95 1pmt n ASP 116 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1pmt s THR 117 N -2.00 4.80 -0.17 2.12 2.01 -1.24 -4.98 115.64 116.18 1pmt s THR 117 Ca 0.08 1.61 -0.36 0.00 0.31 0.00 0.00 61.69 63.33 1pmt s THR 117 Cb 0.04 -4.16 -0.13 0.00 0.01 0.00 0.00 72.50 68.26 1pmt s THR 117 CO 0.06 -0.12 1.86 -2.65 -0.69 0.00 0.00 174.62 173.08 1pmt n PRO 118 N 6.10 1.80 0.32 4.92 -0.02 -1.26 -4.78 135.00 142.07 1pmt n PRO 118 Ca 0.07 0.65 0.10 0.00 -2.02 0.00 0.00 63.50 62.30 1pmt n PRO 118 Cb 0.47 -2.47 0.52 0.00 -0.02 0.00 0.00 33.50 32.00 1pmt n PRO 118 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1pmt h GLU 119 N 8.76 0.00 0.00 -0.52 4.81 -1.93 0.25 114.58 125.95 1pmt h GLU 119 Ca -0.47 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.54 1pmt h GLU 119 Cb 1.29 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1pmt h GLU 119 CO 0.96 0.00 -1.08 1.03 -0.73 0.00 0.00 179.01 179.18 1pmt h SER 120 N 0.00 0.01 1.31 1.04 0.87 -2.03 -3.23 113.55 111.51 1pmt h SER 120 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1pmt h SER 120 Cb 1.08 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1pmt h SER 120 CO 0.00 1.01 0.00 0.00 -0.53 0.00 0.00 176.83 177.31 1pmt n TYR 121 N -3.32 0.88 -0.24 2.24 9.36 0.86 -4.04 117.16 122.91 1pmt n TYR 121 Ca -0.02 0.27 -0.04 0.00 3.32 0.00 0.00 57.90 61.43 1pmt n TYR 121 Cb 0.95 -0.94 0.06 0.00 -0.63 0.00 0.00 39.34 38.78 1pmt n TYR 121 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1pmt h LEU 122 N 0.00 0.71 -1.05 2.98 3.38 -1.55 -1.92 115.31 117.86 1pmt h LEU 122 Ca 0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1pmt h LEU 122 Cb 0.65 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1pmt h LEU 122 CO 0.00 0.50 -0.44 1.55 0.09 0.00 0.00 178.44 180.14 1pmt h PRO 123 N 0.84 0.07 -0.23 1.13 0.13 -1.79 -2.00 132.00 130.15 1pmt h PRO 123 Ca 0.26 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.33 1pmt h PRO 123 Cb -0.02 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 1pmt h PRO 123 CO -0.09 0.50 0.05 0.28 -0.23 0.00 0.00 178.00 178.51 1pmt h VAL 124 N 0.06 1.21 -0.42 1.56 2.07 -1.69 -2.35 116.25 116.69 1pmt h VAL 124 Ca 0.00 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1pmt h VAL 124 Cb 0.81 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1pmt h VAL 124 CO 0.06 0.22 0.17 0.58 0.02 0.00 0.00 177.57 178.62 1pmt h VAL 125 N 0.19 1.20 -0.40 2.57 2.07 -1.24 -2.63 116.25 118.02 1pmt h VAL 125 Ca 0.07 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.05 1pmt h VAL 125 Cb 0.29 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1pmt h VAL 125 CO 0.00 0.22 0.03 0.50 0.02 0.00 0.00 177.57 178.35 1pmt h LYS 126 N 0.53 0.14 -0.92 1.57 3.64 -1.28 -1.46 116.57 118.79 1pmt h LYS 126 Ca 0.14 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1pmt h LYS 126 Cb 0.19 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1pmt h LYS 126 CO -0.01 0.09 0.61 -0.91 -2.27 0.00 0.00 179.45 176.96 1pmt h ASN 127 N 0.15 1.03 -0.57 4.20 2.35 -1.27 0.12 115.58 121.59 1pmt h ASN 127 Ca 0.19 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1pmt h ASN 127 Cb 0.26 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1pmt h ASN 127 CO -0.29 0.72 0.29 0.11 -1.65 0.00 0.00 177.43 176.61 1pmt h LYS 128 N 1.20 0.81 -0.40 0.81 6.56 -0.97 -2.55 116.57 122.03 1pmt h LYS 128 Ca 0.35 -0.11 -0.07 0.00 -1.06 0.00 0.00 60.65 59.76 1pmt h LYS 128 Cb -0.06 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.44 1pmt h LYS 128 CO -0.09 0.64 -0.04 1.25 -2.06 0.00 0.00 179.45 179.15 1pmt h LEU 129 N 0.77 0.73 -0.32 2.94 6.46 -0.34 -3.15 115.31 122.40 1pmt h LEU 129 Ca 0.20 -0.33 0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1pmt h LEU 129 Cb 0.09 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.79 1pmt h LEU 129 CO -0.03 0.89 0.10 0.50 -0.62 0.00 0.00 178.44 179.28 1pmt h LYS 130 N 0.55 0.22 -0.95 1.25 3.64 -0.67 -2.03 116.57 118.59 1pmt h LYS 130 Ca 0.11 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.64 1pmt h LYS 130 Cb 0.54 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.23 1pmt h LYS 130 CO 0.03 0.15 0.60 0.77 -2.27 0.00 0.00 179.45 178.73 1pmt h SER 131 N 0.23 0.70 -0.56 4.20 0.02 -1.45 0.11 113.55 116.80 1pmt h SER 131 Ca 0.15 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1pmt h SER 131 Cb 0.13 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1pmt h SER 131 CO -0.16 0.32 0.23 0.11 -1.14 0.00 0.00 176.83 176.19 1pmt h LYS 132 N 0.72 0.84 -0.09 3.45 6.56 -1.33 -2.28 116.57 124.43 1pmt h LYS 132 Ca 0.50 -0.15 -0.14 0.00 -1.06 0.00 0.00 60.65 59.80 1pmt h LYS 132 Cb 0.81 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.32 1pmt h LYS 132 CO -0.26 0.72 -0.55 0.74 -2.06 0.00 0.00 179.45 178.04 1pmt h PHE 133 N 0.77 0.32 -0.46 -1.35 0.04 -0.57 -2.40 116.94 113.29 1pmt h PHE 133 Ca 0.19 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1pmt h PHE 133 Cb 0.19 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1pmt h PHE 133 CO 0.01 0.75 0.21 0.28 -0.60 0.00 0.00 178.31 178.96 1pmt h VAL 134 N 0.20 1.16 -0.07 -0.55 2.07 -0.62 0.14 116.25 118.58 1pmt h VAL 134 Ca 0.00 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1pmt h VAL 134 Cb 1.03 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1pmt h VAL 134 CO 0.09 0.19 -0.17 0.22 0.02 0.00 0.00 177.57 177.92 1pmt h TYR 135 N 0.65 0.30 -0.88 1.57 3.20 -1.19 -2.62 116.97 117.99 1pmt h TYR 135 Ca 0.16 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1pmt h TYR 135 Cb 0.09 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1pmt h TYR 135 CO 0.01 0.77 0.58 0.82 -1.64 0.00 0.00 178.16 178.70 1pmt h ILE 136 N -0.26 1.13 -0.01 1.81 2.04 -1.06 -1.37 117.51 119.79 1pmt h ILE 136 Ca -0.00 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1pmt h ILE 136 Cb 0.77 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1pmt h ILE 136 CO 0.04 0.20 -0.16 -1.13 0.00 0.00 0.00 178.15 177.09 1pmt h ASN 137 N 1.08 -0.47 -0.31 1.72 -0.73 -0.65 -1.62 115.58 114.60 1pmt h ASN 137 Ca 0.36 0.07 0.07 0.00 1.87 0.00 0.00 56.30 58.67 1pmt h ASN 137 Cb 0.07 0.20 -0.07 0.00 0.27 0.00 0.00 38.32 38.79 1pmt h ASN 137 CO -0.11 -0.22 -0.15 0.44 -0.37 0.00 0.00 177.43 177.01 1pmt h ASP 138 N -0.26 -0.52 -0.86 1.15 3.32 -0.90 -0.49 116.42 117.85 1pmt h ASP 138 Ca 0.06 0.12 0.15 0.00 0.02 0.00 0.00 57.03 57.38 1pmt h ASP 138 Cb 0.33 0.28 -0.07 0.00 0.22 0.00 0.00 39.33 40.10 1pmt h ASP 138 CO -0.16 -0.19 0.56 0.58 -1.72 0.00 0.00 179.24 178.31 1pmt h VAL 139 N -0.11 0.81 -0.00 -1.35 2.07 -0.94 -2.20 116.25 114.53 1pmt h VAL 139 Ca 0.16 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.30 1pmt h VAL 139 Cb 0.35 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1pmt h VAL 139 CO -0.38 0.11 -0.80 -0.07 0.02 0.00 0.00 177.57 176.45 1pmt h LEU 140 N 0.60 0.07 0.00 2.57 3.38 -0.14 -3.15 115.31 118.65 1pmt h LEU 140 Ca 0.43 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1pmt h LEU 140 Cb 0.79 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1pmt h LEU 140 CO -0.19 0.84 0.00 -1.54 0.09 0.00 0.00 178.44 177.64 1pmt n SER 141 N -3.63 0.00 0.00 -0.43 3.41 -0.75 -2.74 113.62 109.48 1pmt n SER 141 Ca -0.01 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 1pmt n SER 141 Cb 0.76 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 1pmt n SER 141 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pmt n LYS 142 N -0.63 1.67 -4.41 4.33 5.02 -1.20 -5.10 118.16 117.83 1pmt n LYS 142 Ca 0.02 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 1pmt n LYS 142 Cb 0.01 -0.78 -0.10 0.00 -0.02 0.00 0.00 35.03 34.14 1pmt n LYS 142 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1pmt s GLN 143 N -1.56 1.53 -0.00 1.97 -2.07 -1.11 -5.09 119.66 113.33 1pmt s GLN 143 Ca 0.00 -1.79 -0.05 0.00 -1.82 0.00 0.00 55.36 51.70 1pmt s GLN 143 Cb 0.00 -0.98 -0.03 0.00 -1.09 0.00 0.00 33.01 30.91 1pmt s GLN 143 CO 0.00 -0.04 0.65 0.87 -1.32 0.00 0.00 175.29 175.45 1pmt h LYS 144 N 2.28 -0.17 -6.28 9.60 1.79 -1.81 -3.42 116.57 118.56 1pmt h LYS 144 Ca -0.40 0.01 -0.46 0.00 -2.18 0.00 0.00 60.65 57.63 1pmt h LYS 144 Cb 1.23 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 1pmt h LYS 144 CO 0.67 -0.11 -0.38 0.00 -1.08 0.00 0.00 179.45 178.56 1pmt h VAL 146 N 1.01 1.12 -0.77 0.00 -1.51 -1.91 -2.82 116.25 111.38 1pmt h VAL 146 Ca -0.46 -0.36 -0.40 0.00 -1.23 0.00 0.00 66.70 64.26 1pmt h VAL 146 Cb 1.25 -0.02 -0.24 0.00 -2.13 0.00 0.00 31.29 30.16 1pmt h VAL 146 CO 0.55 0.19 0.39 0.00 -1.23 0.00 0.00 177.57 177.47 1pmt n GLY 148 N -1.12 0.48 0.13 0.00 0.00 -1.06 -4.89 105.19 98.73 1pmt n GLY 148 Ca 0.50 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 1pmt n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pmt n ASP 149 N 0.00 1.98 -4.88 1.61 9.92 -1.26 -1.20 116.55 122.72 1pmt n ASP 149 Ca 0.00 -0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 1pmt n ASP 149 Cb 0.00 -0.54 -0.04 0.00 -0.64 0.00 0.00 41.12 39.90 1pmt n ASP 149 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 1pmt s HIS 150 N -2.52 3.44 0.20 1.24 -3.43 -1.26 -4.09 115.29 108.87 1pmt s HIS 150 Ca -0.35 0.96 -0.31 0.00 -0.80 0.00 0.00 55.06 54.55 1pmt s HIS 150 Cb 0.10 -2.35 -0.11 0.00 -1.43 0.00 0.00 32.58 28.79 1pmt s HIS 150 CO 0.58 0.06 1.59 0.12 -2.00 0.00 0.00 174.74 175.09 1pmt s PHE 151 N -2.14 2.99 0.29 0.38 2.19 -1.26 -4.76 117.98 115.67 1pmt s PHE 151 Ca 0.49 0.63 0.02 0.00 0.33 0.00 0.00 56.93 58.41 1pmt s PHE 151 Cb -0.11 -3.97 -0.05 0.00 -1.31 0.00 0.00 43.02 37.58 1pmt s PHE 151 CO 0.27 -3.54 0.09 0.95 1.83 0.00 0.00 175.22 174.82 1pmt s THR 152 N 0.89 0.76 0.59 0.12 -4.23 -1.26 -4.55 115.64 107.95 1pmt s THR 152 Ca 0.69 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.49 1pmt s THR 152 Cb -0.45 -2.67 0.38 0.00 1.34 0.00 0.00 72.50 71.09 1pmt s THR 152 CO 0.35 0.00 1.94 -0.37 -0.54 0.00 0.00 174.62 176.00 1pmt h VAL 153 N 2.26 0.40 0.00 2.29 -1.51 -1.64 0.19 116.25 118.23 1pmt h VAL 153 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1pmt h VAL 153 Cb 1.25 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1pmt h VAL 153 CO 0.63 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.97 1pmt h ALA 154 N 1.53 1.00 0.02 5.19 0.00 -1.95 -2.98 119.26 122.07 1pmt h ALA 154 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 1pmt h ALA 154 Cb 1.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1pmt h ALA 154 CO -0.00 0.00 -1.15 -0.44 0.00 0.00 0.00 179.25 177.66 1pmt h ASP 155 N 0.00 0.06 -0.23 0.00 3.32 -1.01 -2.72 116.42 115.83 1pmt h ASP 155 Ca 0.00 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1pmt h ASP 155 Cb 0.71 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1pmt h ASP 155 CO 0.00 1.05 0.02 0.00 -1.72 0.00 0.00 179.24 178.59 1pmt h ALA 156 N 0.94 0.31 -0.43 3.45 0.00 -1.50 -0.96 119.26 121.08 1pmt h ALA 156 Ca -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1pmt h ALA 156 Cb 1.83 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1pmt h ALA 156 CO 0.13 0.01 0.15 -0.92 0.00 0.00 0.00 179.25 178.63 1pmt h TYR 157 N 0.18 0.67 -0.64 0.00 3.20 -1.61 -1.04 116.97 117.73 1pmt h TYR 157 Ca 0.07 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1pmt h TYR 157 Cb 0.37 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1pmt h TYR 157 CO 0.03 0.59 0.14 1.25 -1.64 0.00 0.00 178.16 178.53 1pmt h LEU 158 N 0.55 0.98 0.17 2.82 5.85 -1.42 -1.36 115.31 122.91 1pmt h LEU 158 Ca 0.14 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1pmt h LEU 158 Cb 0.22 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1pmt h LEU 158 CO -0.01 0.97 -0.10 0.15 -0.34 0.00 0.00 178.44 179.11 1pmt h PHE 159 N 0.95 -0.26 -0.58 1.25 3.57 -0.94 -1.93 116.94 119.01 1pmt h PHE 159 Ca 0.20 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.78 1pmt h PHE 159 Cb 0.39 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 1pmt h PHE 159 CO 0.03 -0.16 0.23 1.15 -2.23 0.00 0.00 178.31 177.32 1pmt h THR 160 N -0.26 0.81 0.00 4.41 2.02 -1.00 -2.14 112.91 116.74 1pmt h THR 160 Ca -0.02 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 1pmt h THR 160 Cb 0.22 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1pmt h THR 160 CO 0.02 0.08 -0.24 -0.07 0.37 0.00 0.00 175.52 175.68 1pmt h LEU 161 N 0.42 0.00 0.00 2.58 3.38 -1.07 -2.33 115.31 118.29 1pmt h LEU 161 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1pmt h LEU 161 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1pmt h LEU 161 CO -0.27 0.24 -0.23 -1.20 0.09 0.00 0.00 178.44 177.06 1pmt n SER 162 N -3.92 0.55 0.22 -0.43 7.64 -0.74 -3.50 113.62 113.44 1pmt n SER 162 Ca -0.02 0.33 0.10 0.00 1.01 0.00 0.00 58.87 60.28 1pmt n SER 162 Cb 0.32 -0.33 0.46 0.00 -1.01 0.00 0.00 64.21 63.65 1pmt n SER 162 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1pmt h GLN 163 N 0.00 0.00 0.00 1.43 1.08 -1.05 -2.78 115.11 113.78 1pmt h GLN 163 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1pmt h GLN 163 Cb 0.65 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1pmt h GLN 163 CO 0.00 0.23 -0.16 -1.49 -0.95 0.00 0.00 178.83 176.46 1pmt h TRP 164 N 0.00 0.00 -0.79 2.96 6.55 -1.65 -3.38 115.95 119.64 1pmt h TRP 164 Ca -0.00 0.00 0.12 0.00 0.95 0.00 0.00 58.89 59.96 1pmt h TRP 164 Cb 0.75 0.00 -0.13 0.00 -0.86 0.00 0.00 29.16 28.91 1pmt h TRP 164 CO 0.00 0.16 -0.40 0.00 -1.05 0.00 0.00 178.44 177.15 1pmt h ALA 165 N 1.84 -0.06 -0.35 1.49 0.00 -1.65 -1.77 119.26 118.76 1pmt h ALA 165 Ca -0.00 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1pmt h ALA 165 Cb 1.10 0.96 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 1pmt h ALA 165 CO 0.02 -0.71 0.10 -1.35 0.00 0.00 0.00 179.25 177.31 1pmt h PRO 166 N -0.10 0.23 0.00 0.00 0.11 -1.76 -0.64 132.00 129.84 1pmt h PRO 166 Ca 0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1pmt h PRO 166 Cb 0.56 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1pmt h PRO 166 CO -0.83 0.15 0.00 0.72 -0.21 0.00 0.00 178.00 177.83 1pmt n HIS 167 N -5.05 0.17 0.03 0.65 8.25 -0.68 -1.03 115.22 117.55 1pmt n HIS 167 Ca 0.01 0.09 0.01 0.00 -0.26 0.00 0.00 57.72 57.56 1pmt n HIS 167 Cb 0.14 -0.64 0.01 0.00 1.12 0.00 0.00 29.99 30.62 1pmt n HIS 167 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1pmt n VAL 168 N -1.67 0.34 -2.86 1.59 0.24 -0.88 -5.01 118.33 110.08 1pmt n VAL 168 Ca -0.00 -0.67 -0.10 0.00 -2.04 0.00 0.00 64.34 61.52 1pmt n VAL 168 Cb 0.01 0.85 0.05 0.00 -1.47 0.00 0.00 33.84 33.28 1pmt n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pmt n ALA 169 N -0.08 -1.18 -3.53 2.33 0.00 -0.20 -5.02 120.51 112.83 1pmt n ALA 169 Ca 0.01 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1pmt n ALA 169 Cb 0.12 -1.71 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 1pmt n ALA 169 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pmt s LEU 170 N -4.59 4.16 -0.47 0.00 2.96 -0.30 -5.02 118.68 115.42 1pmt s LEU 170 Ca 0.01 -1.31 -0.26 0.00 -0.22 0.00 0.00 54.13 52.35 1pmt s LEU 170 Cb -0.01 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.94 1pmt s LEU 170 CO 0.43 -0.31 0.98 -0.62 -1.32 0.00 0.00 176.35 175.52 1pmt s ASP 171 N 1.36 6.52 -0.09 3.68 -1.08 -1.26 -4.34 116.67 121.46 1pmt s ASP 171 Ca -0.03 0.17 0.13 0.00 -0.52 0.00 0.00 52.55 52.30 1pmt s ASP 171 Cb -0.20 -2.48 0.30 0.00 -1.46 0.00 0.00 42.92 39.09 1pmt s ASP 171 CO -0.00 -1.12 1.22 0.18 0.52 0.00 0.00 175.17 175.97 1pmt n LEU 172 N 7.38 2.86 -0.15 -1.34 4.77 -1.26 -4.72 117.00 124.54 1pmt n LEU 172 Ca 0.07 -2.61 0.05 0.00 -0.03 0.00 0.00 56.01 53.50 1pmt n LEU 172 Cb 0.49 -0.33 0.36 0.00 -2.33 0.00 0.00 43.42 41.60 1pmt n LEU 172 CO 0.66 0.66 1.21 0.71 -1.33 0.00 0.00 177.39 179.30 1pmt h THR 173 N 0.96 1.06 -0.14 -5.08 1.35 -2.04 -2.14 112.91 106.88 1pmt h THR 173 Ca 0.00 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.56 1pmt h THR 173 Cb 0.97 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1pmt h THR 173 CO 0.07 0.14 -0.12 -2.24 -0.25 0.00 0.00 175.52 173.11 1pmt h ASP 174 N 0.74 0.20 -0.32 5.36 2.03 -2.02 -3.37 116.42 119.05 1pmt h ASP 174 Ca 0.27 -0.04 -0.33 0.00 -0.73 0.00 0.00 57.03 56.20 1pmt h ASP 174 Cb 0.15 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1pmt h ASP 174 CO -0.08 0.35 1.09 0.18 -1.03 0.00 0.00 179.24 179.75 1pmt n LEU 175 N -4.29 2.85 -0.15 0.15 4.77 -0.81 -4.77 117.00 114.75 1pmt n LEU 175 Ca -0.01 -2.96 -0.03 0.00 -0.03 0.00 0.00 56.01 52.99 1pmt n LEU 175 Cb 0.26 -1.60 0.06 0.00 -2.33 0.00 0.00 43.42 39.81 1pmt n LEU 175 CO 0.38 -1.93 0.90 0.28 -1.33 0.00 0.00 177.39 175.69 1pmt h SER 176 N 9.78 -0.01 0.47 -1.43 0.02 -1.85 0.18 113.55 120.70 1pmt h SER 176 Ca 0.21 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1pmt h SER 176 Cb 0.90 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1pmt h SER 176 CO 1.33 0.02 -0.26 0.45 -1.14 0.00 0.00 176.83 177.23 1pmt h HIS 177 N 0.22 0.00 0.00 3.45 3.86 -1.87 -1.81 115.15 119.00 1pmt h HIS 177 Ca 0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1pmt h HIS 177 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1pmt h HIS 177 CO -0.23 0.26 -0.00 1.25 0.86 0.00 0.00 177.93 180.06 1pmt h LEU 178 N 0.00 -0.00 0.11 2.43 5.85 -1.66 -3.02 115.31 119.02 1pmt h LEU 178 Ca -0.00 -0.80 0.02 0.00 0.84 0.00 0.00 57.88 57.94 1pmt h LEU 178 Cb 0.56 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1pmt h LEU 178 CO 0.03 0.80 -0.40 1.56 -0.34 0.00 0.00 178.44 180.09 1pmt h GLN 179 N -0.81 -0.61 -0.66 1.25 1.08 -0.83 0.71 115.11 115.25 1pmt h GLN 179 Ca -0.00 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.38 1pmt h GLN 179 Cb 0.80 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.33 1pmt h GLN 179 CO 0.00 -0.41 0.45 -0.44 -0.95 0.00 0.00 178.83 177.48 1pmt h ASP 180 N -0.63 0.28 -0.10 1.46 3.32 -1.47 0.93 116.42 120.20 1pmt h ASP 180 Ca 0.02 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 1pmt h ASP 180 Cb 0.66 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.18 1pmt h ASP 180 CO -0.24 0.15 -0.51 0.22 -1.72 0.00 0.00 179.24 177.14 1pmt h TYR 181 N 0.30 0.71 -0.20 4.55 3.20 -1.11 -1.46 116.97 122.96 1pmt h TYR 181 Ca 0.32 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pmt h TYR 181 Cb 0.83 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1pmt h TYR 181 CO -0.00 1.09 0.07 -0.07 -1.64 0.00 0.00 178.16 177.61 1pmt h LEU 182 N 0.13 0.28 -1.08 2.82 3.38 0.32 -2.35 115.31 118.81 1pmt h LEU 182 Ca -0.03 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1pmt h LEU 182 Cb 1.15 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1pmt h LEU 182 CO 0.11 0.39 0.62 0.00 0.09 0.00 0.00 178.44 179.64 1pmt h ALA 183 N 0.90 1.49 0.00 1.53 0.00 0.71 -0.54 119.26 123.35 1pmt h ALA 183 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pmt h ALA 183 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pmt h ALA 183 CO -0.00 0.35 0.00 -0.09 0.00 0.00 0.00 179.25 179.51 1pmt h ARG 184 N 1.07 0.00 0.04 0.00 2.43 -0.83 -3.09 114.38 113.99 1pmt h ARG 184 Ca 0.42 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.26 1pmt h ARG 184 Cb 0.25 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1pmt h ARG 184 CO -0.17 0.00 -1.97 -0.89 -1.51 0.00 0.00 179.97 175.42 1pmt n ILE 185 N -2.96 1.62 0.27 1.20 2.08 -0.33 -3.97 119.36 117.28 1pmt n ILE 185 Ca 0.01 -0.74 0.14 0.00 0.56 0.00 0.00 62.75 62.72 1pmt n ILE 185 Cb 0.28 -1.22 0.68 0.00 -0.75 0.00 0.00 39.64 38.63 1pmt n ILE 185 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pmt h ALA 186 N 0.60 1.00 0.00 -1.39 0.00 -1.16 -1.82 119.26 116.49 1pmt h ALA 186 Ca -0.40 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 1pmt h ALA 186 Cb 2.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1pmt h ALA 186 CO 0.06 0.00 -1.42 1.96 0.00 0.00 0.00 179.25 179.85 1pmt h GLN 187 N 0.00 0.00 -6.38 0.00 1.08 -1.68 -3.38 115.11 104.75 1pmt h GLN 187 Ca 0.00 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.56 1pmt h GLN 187 Cb 0.15 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.64 1pmt h GLN 187 CO 0.00 0.56 0.50 0.54 -0.95 0.00 0.00 178.83 179.48 1pmt n ARG 188 N -3.09 1.49 -0.06 1.46 1.74 -0.69 -4.79 116.66 112.72 1pmt n ARG 188 Ca -0.11 0.53 -0.05 0.00 -0.77 0.00 0.00 57.85 57.46 1pmt n ARG 188 Cb 0.97 -2.17 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 1pmt n ARG 188 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1pmt h PRO 189 N 4.48 -0.13 0.00 5.56 0.13 -1.91 -0.98 132.00 139.15 1pmt h PRO 189 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pmt h PRO 189 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1pmt h PRO 189 CO 0.78 -0.09 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 1pmt n ASN 190 N -3.68 0.58 -0.07 1.44 3.02 -1.26 0.31 115.26 115.60 1pmt n ASN 190 Ca -0.01 0.73 -0.13 0.00 -0.03 0.00 0.00 54.58 55.14 1pmt n ASN 190 Cb 0.12 -0.82 -0.11 0.00 -0.61 0.00 0.00 39.78 38.36 1pmt n ASN 190 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1pmt h VAL 191 N 0.00 1.46 -0.92 2.41 2.07 -1.67 -2.07 116.25 117.53 1pmt h VAL 191 Ca 0.00 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1pmt h VAL 191 Cb 0.10 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 1pmt h VAL 191 CO 0.00 0.50 0.58 -0.74 0.02 0.00 0.00 177.57 177.92 1pmt h HIS 192 N -1.00 1.19 -0.01 1.57 -0.00 -0.37 0.05 115.15 116.59 1pmt h HIS 192 Ca -0.04 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1pmt h HIS 192 Cb 0.91 -0.40 -0.00 0.00 -0.00 0.00 0.00 27.41 27.92 1pmt h HIS 192 CO 0.22 0.78 0.00 1.03 -0.00 0.00 0.00 177.93 179.96 1pmt h SER 193 N 1.26 0.01 0.23 3.26 0.87 -0.24 -1.45 113.55 117.50 1pmt h SER 193 Ca 0.33 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1pmt h SER 193 Cb -0.09 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1pmt h SER 193 CO -0.07 0.14 -0.26 0.00 -0.53 0.00 0.00 176.83 176.11 1pmt h ALA 194 N 0.87 1.51 -0.40 6.23 0.00 -1.12 -2.32 119.26 124.03 1pmt h ALA 194 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1pmt h ALA 194 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pmt h ALA 194 CO -0.00 0.36 -0.35 -0.07 0.00 0.00 0.00 179.25 179.20 1pmt h LEU 195 N 0.05 1.00 0.14 0.00 3.38 -0.75 -2.97 115.31 116.16 1pmt h LEU 195 Ca 0.01 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1pmt h LEU 195 Cb 0.49 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1pmt h LEU 195 CO 0.04 1.24 -0.07 0.58 0.09 0.00 0.00 178.44 180.32 1pmt h VAL 196 N 0.77 0.99 -0.11 1.22 2.07 -0.98 -2.22 116.25 117.99 1pmt h VAL 196 Ca 0.07 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1pmt h VAL 196 Cb 0.94 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1pmt h VAL 196 CO 0.09 0.13 0.41 0.74 0.02 0.00 0.00 177.57 178.96 1pmt h THR 197 N -0.45 0.09 -0.02 2.57 2.02 -1.44 0.18 112.91 115.85 1pmt h THR 197 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1pmt h THR 197 Cb 0.35 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1pmt h THR 197 CO 0.03 0.00 -0.08 -0.62 0.37 0.00 0.00 175.52 175.22 1pmt n GLU 198 N -3.07 1.90 -0.42 6.66 1.02 -0.99 -4.96 120.64 120.79 1pmt n GLU 198 Ca 0.01 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 1pmt n GLU 198 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1pmt n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pmt n GLY 199 N 1.31 0.77 3.21 0.62 0.00 0.62 -4.70 105.19 107.02 1pmt n GLY 199 Ca 0.15 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1pmt n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pmt s LEU 200 N 0.00 2.21 0.00 0.99 1.43 -0.87 -5.05 118.68 117.40 1pmt s LEU 200 Ca 0.00 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1pmt s LEU 200 Cb 0.00 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.45 1pmt s LEU 200 CO 0.00 0.06 0.00 -0.38 0.23 0.00 0.00 176.35 176.26