#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmt s LYS 2 N 0.00 2.65 -0.21 2.12 2.20 -0.64 -1.31 119.74 124.54 2pmt s LYS 2 Ca 0.00 -0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 54.93 2pmt s LYS 2 Cb 0.00 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 2pmt s LYS 2 CO 0.00 0.61 -0.06 -1.17 -0.36 0.00 0.00 175.35 174.37 2pmt s LEU 3 N -0.67 2.82 -0.26 5.43 2.96 0.24 -0.76 118.68 128.43 2pmt s LEU 3 Ca 0.10 -0.41 -0.23 0.00 -0.22 0.00 0.00 54.13 53.37 2pmt s LEU 3 Cb -0.11 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2pmt s LEU 3 CO 0.01 -0.01 0.74 -0.31 -1.32 0.00 0.00 176.35 175.45 2pmt s TYR 4 N 1.43 3.28 0.27 5.38 2.02 -0.20 -1.29 117.35 128.24 2pmt s TYR 4 Ca 0.05 0.93 0.02 0.00 -0.37 0.00 0.00 57.07 57.71 2pmt s TYR 4 Cb -0.14 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.39 2pmt s TYR 4 CO -0.04 -0.40 0.17 1.52 -1.57 0.00 0.00 175.55 175.23 2pmt s TYR 5 N 2.72 1.47 -0.03 2.71 1.13 -0.83 -3.21 117.35 121.32 2pmt s TYR 5 Ca 0.31 -1.42 -0.00 0.00 -1.41 0.00 0.00 57.07 54.54 2pmt s TYR 5 Cb -0.15 -0.73 0.03 0.00 -1.10 0.00 0.00 41.96 40.01 2pmt s TYR 5 CO 0.09 -0.62 0.03 0.99 -2.51 0.00 0.00 175.55 173.53 2pmt s THR 6 N -3.78 -0.03 -0.09 -3.49 2.01 -1.26 0.31 115.64 109.30 2pmt s THR 6 Ca 0.38 0.24 -0.39 0.00 0.31 0.00 0.00 61.69 62.23 2pmt s THR 6 Cb 0.05 -0.13 -0.17 0.00 0.01 0.00 0.00 72.50 72.27 2pmt s THR 6 CO 0.17 0.12 1.51 -2.65 -0.69 0.00 0.00 174.62 173.08 2pmt n PRO 7 N 4.40 1.05 -0.85 4.92 -0.02 -1.26 -1.67 135.00 141.57 2pmt n PRO 7 Ca -0.23 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2pmt n PRO 7 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2pmt n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pmt n GLY 8 N 3.23 0.77 0.96 -1.23 0.00 -1.26 -5.01 105.19 102.65 2pmt n GLY 8 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 2pmt n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pmt n SER 9 N 0.00 -0.08 0.00 1.61 2.88 -0.67 -4.89 113.62 112.47 2pmt n SER 9 Ca 0.00 -1.08 0.07 0.00 -1.33 0.00 0.00 58.87 56.53 2pmt n SER 9 Cb 0.00 -0.25 0.35 0.00 -0.75 0.00 0.00 64.21 63.55 2pmt n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pmt n SER 11 N -1.33 0.00 0.19 0.00 3.41 -1.26 -2.88 113.62 111.75 2pmt n SER 11 Ca 0.06 -0.38 0.05 0.00 -0.26 0.00 0.00 58.87 58.34 2pmt n SER 11 Cb 0.13 -0.19 0.36 0.00 -0.26 0.00 0.00 64.21 64.24 2pmt n SER 11 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2pmt h LEU 12 N 0.00 0.00 0.63 1.04 5.85 -1.70 -2.80 115.31 118.33 2pmt h LEU 12 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2pmt h LEU 12 Cb 0.18 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.22 2pmt h LEU 12 CO 0.00 0.38 -0.30 -1.28 -0.34 0.00 0.00 178.44 176.90 2pmt h SER 13 N 0.00 -0.71 0.52 1.25 0.87 -1.77 -0.53 113.55 113.17 2pmt h SER 13 Ca -0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2pmt h SER 13 Cb 0.82 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2pmt h SER 13 CO 0.05 -0.44 -0.09 -0.65 -0.53 0.00 0.00 176.83 175.17 2pmt h PRO 14 N -0.95 0.00 -0.15 2.24 0.11 -1.77 -2.18 132.00 129.30 2pmt h PRO 14 Ca -0.09 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2pmt h PRO 14 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 2pmt h PRO 14 CO 0.14 0.09 -0.04 1.25 -0.21 0.00 0.00 178.00 179.24 2pmt h HIS 15 N 0.00 0.33 -0.39 0.65 2.76 -1.21 -0.23 115.15 117.06 2pmt h HIS 15 Ca -0.00 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2pmt h HIS 15 Cb 0.38 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2pmt h HIS 15 CO 0.00 0.57 0.23 0.82 -1.30 0.00 0.00 177.93 178.25 2pmt h ILE 16 N -0.01 1.13 -0.87 6.26 2.04 -0.71 -2.78 117.51 122.57 2pmt h ILE 16 Ca 0.04 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2pmt h ILE 16 Cb 0.46 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2pmt h ILE 16 CO 0.01 0.13 0.47 0.58 0.00 0.00 0.00 178.15 179.35 2pmt h VAL 17 N 0.51 1.25 -0.80 1.67 2.07 -1.32 -1.24 116.25 118.39 2pmt h VAL 17 Ca 0.14 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2pmt h VAL 17 Cb 0.00 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 2pmt h VAL 17 CO -0.03 0.28 0.48 -0.07 0.02 0.00 0.00 177.57 178.26 2pmt h LEU 18 N 1.22 0.96 -0.22 2.57 3.38 -0.77 -1.55 115.31 120.89 2pmt h LEU 18 Ca 0.31 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 58.01 2pmt h LEU 18 Cb 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2pmt h LEU 18 CO -0.05 0.73 -0.89 0.03 0.09 0.00 0.00 178.44 178.35 2pmt h ARG 19 N 1.10 0.44 0.00 1.13 3.08 -1.19 -2.89 114.38 116.05 2pmt h ARG 19 Ca 0.29 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 2pmt h ARG 19 Cb -0.05 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2pmt h ARG 19 CO -0.05 1.09 -0.12 0.93 -1.07 0.00 0.00 179.97 180.75 2pmt h GLU 20 N 0.26 0.00 0.00 0.04 4.39 -0.87 -2.60 114.58 115.80 2pmt h GLU 20 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2pmt h GLU 20 Cb 1.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 2pmt h GLU 20 CO 0.16 0.12 -0.96 0.25 -1.16 0.00 0.00 179.01 177.42 2pmt n THR 21 N -3.35 0.20 -1.91 1.13 -2.24 -0.62 -4.98 114.28 102.51 2pmt n THR 21 Ca -0.00 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 2pmt n THR 21 Cb 0.32 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 2pmt n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pmt n GLY 22 N 1.36 0.36 3.89 3.38 0.00 -0.98 -4.99 105.19 108.21 2pmt n GLY 22 Ca 0.02 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 2pmt n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pmt s LEU 23 N -3.02 3.21 -0.39 0.99 1.43 -1.19 -5.01 118.68 114.70 2pmt s LEU 23 Ca 0.00 1.14 -0.25 0.00 -1.03 0.00 0.00 54.13 54.00 2pmt s LEU 23 Cb 0.00 -4.07 0.02 0.00 0.03 0.00 0.00 46.19 42.17 2pmt s LEU 23 CO 0.00 -0.97 0.86 -0.62 0.23 0.00 0.00 176.35 175.85 2pmt s ASP 24 N -4.24 6.58 0.17 2.29 2.15 -1.26 -4.90 116.67 117.47 2pmt s ASP 24 Ca 0.54 0.37 -0.05 0.00 0.43 0.00 0.00 52.55 53.85 2pmt s ASP 24 Cb -0.11 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 2pmt s ASP 24 CO 0.50 -0.85 0.19 0.72 -0.17 0.00 0.00 175.17 175.57 2pmt s PHE 25 N 3.37 0.71 0.08 -5.34 -0.71 -1.26 -4.31 117.98 110.52 2pmt s PHE 25 Ca 0.35 -1.05 0.03 0.00 -1.04 0.00 0.00 56.93 55.22 2pmt s PHE 25 Cb -0.12 -0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 41.37 2pmt s PHE 25 CO 0.20 -0.66 -0.09 -1.54 -1.34 0.00 0.00 175.22 171.78 2pmt s SER 26 N -3.04 1.26 0.11 1.98 1.04 -0.43 -5.01 113.70 109.61 2pmt s SER 26 Ca 0.25 -0.74 0.09 0.00 0.48 0.00 0.00 55.95 56.03 2pmt s SER 26 Cb 0.05 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 2pmt s SER 26 CO 0.04 -0.25 -0.24 0.27 0.98 0.00 0.00 173.24 174.04 2pmt s ILE 27 N -2.15 1.95 -0.07 -1.02 -4.36 -1.26 -0.59 121.20 113.69 2pmt s ILE 27 Ca 0.01 -1.60 -0.02 0.00 -0.26 0.00 0.00 60.65 58.78 2pmt s ILE 27 Cb -0.05 -1.74 0.03 0.00 1.25 0.00 0.00 42.46 41.96 2pmt s ILE 27 CO -0.00 0.04 0.04 -0.70 0.24 0.00 0.00 174.94 174.55 2pmt s GLU 28 N -1.89 0.27 0.25 0.37 2.12 -0.41 -4.91 118.70 114.50 2pmt s GLU 28 Ca 0.10 0.18 -0.30 0.00 0.36 0.00 0.00 54.97 55.31 2pmt s GLU 28 Cb -0.10 -0.90 -0.10 0.00 0.26 0.00 0.00 34.13 33.29 2pmt s GLU 28 CO 0.05 -0.36 1.41 0.50 -0.54 0.00 0.00 175.26 176.31 2pmt s ARG 29 N 2.07 4.29 -0.01 4.30 3.52 -1.26 -1.96 118.95 129.90 2pmt s ARG 29 Ca 0.04 2.26 0.05 0.00 -0.13 0.00 0.00 55.73 57.95 2pmt s ARG 29 Cb -0.13 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 2pmt s ARG 29 CO -0.05 -0.38 -0.13 0.42 -0.81 0.00 0.00 175.30 174.35 2pmt s ILE 30 N -0.07 3.15 -0.43 4.11 -1.09 0.15 -1.02 121.20 126.00 2pmt s ILE 30 Ca 0.58 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.99 2pmt s ILE 30 Cb -0.41 -2.30 0.06 0.00 -1.58 0.00 0.00 42.46 38.23 2pmt s ILE 30 CO 0.43 0.46 0.32 -0.62 -1.23 0.00 0.00 174.94 174.30 2pmt s ASP 31 N -1.15 5.96 0.44 3.58 -1.08 -0.50 -4.61 116.67 119.32 2pmt s ASP 31 Ca 0.14 -1.24 0.31 0.00 -0.52 0.00 0.00 52.55 51.24 2pmt s ASP 31 Cb -0.11 -2.11 1.40 0.00 -1.46 0.00 0.00 42.92 40.64 2pmt s ASP 31 CO 0.04 -0.55 1.92 -0.07 0.52 0.00 0.00 175.17 177.03 2pmt h LEU 32 N 8.61 0.00 0.04 -1.34 4.07 -1.97 0.48 115.31 125.20 2pmt h LEU 32 Ca -0.26 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 2pmt h LEU 32 Cb 1.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2pmt h LEU 32 CO 0.79 0.00 -0.02 -0.09 -1.08 0.00 0.00 178.44 178.04 2pmt h ARG 33 N 0.00 -0.05 -0.01 1.13 2.43 -1.96 -3.35 114.38 112.57 2pmt h ARG 33 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pmt h ARG 33 Cb 0.30 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2pmt h ARG 33 CO 0.00 0.44 -0.29 0.25 -1.51 0.00 0.00 179.97 178.87 2pmt n THR 34 N -4.75 0.00 -3.76 0.20 -2.24 -1.19 -4.96 114.28 97.59 2pmt n THR 34 Ca -0.06 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 2pmt n THR 34 Cb 0.25 0.43 0.04 0.00 -2.10 0.00 0.00 70.33 68.95 2pmt n THR 34 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2pmt n LYS 35 N -0.67 -5.52 -4.47 -0.78 4.76 0.17 -4.92 118.16 106.73 2pmt n LYS 35 Ca 0.12 0.64 -0.23 0.00 -2.87 0.00 0.00 58.31 55.97 2pmt n LYS 35 Cb 0.35 -5.40 -0.13 0.00 -1.84 0.00 0.00 35.03 28.01 2pmt n LYS 35 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2pmt s LYS 36 N -6.21 1.15 0.82 1.97 -0.14 -1.12 -1.34 119.74 114.86 2pmt s LYS 36 Ca 0.30 -0.89 -0.12 0.00 -1.36 0.00 0.00 55.97 53.90 2pmt s LYS 36 Cb -0.15 -1.23 0.08 0.00 -1.68 0.00 0.00 37.83 34.85 2pmt s LYS 36 CO 0.81 0.31 1.11 0.95 -0.76 0.00 0.00 175.35 177.77 2pmt s THR 37 N -0.88 2.77 -0.85 2.17 -4.23 -0.14 -1.42 115.64 113.07 2pmt s THR 37 Ca 0.05 0.25 0.16 0.00 -1.18 0.00 0.00 61.69 60.96 2pmt s THR 37 Cb -0.09 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.86 2pmt s THR 37 CO 0.02 -0.33 1.50 -1.84 -0.54 0.00 0.00 174.62 173.43 2pmt n GLU 38 N -3.46 0.05 -0.35 3.99 0.28 -0.19 -1.15 120.64 119.82 2pmt n GLU 38 Ca 0.07 0.32 0.11 0.00 -0.16 0.00 0.00 57.16 57.50 2pmt n GLU 38 Cb 0.57 -1.61 0.29 0.00 1.43 0.00 0.00 31.44 32.13 2pmt n GLU 38 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2pmt n SER 39 N -1.70 3.57 0.00 -1.84 3.41 -1.26 -4.95 113.62 110.84 2pmt n SER 39 Ca 0.03 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2pmt n SER 39 Cb 0.17 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2pmt n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pmt n GLY 40 N 1.53 0.78 3.87 5.00 0.00 -0.30 -5.06 105.19 111.02 2pmt n GLY 40 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2pmt n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pmt s LYS 41 N -0.18 3.82 -0.11 1.61 1.02 -1.26 -4.76 119.74 119.88 2pmt s LYS 41 Ca 0.00 0.47 -0.29 0.00 0.02 0.00 0.00 55.97 56.17 2pmt s LYS 41 Cb 0.00 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 2pmt s LYS 41 CO 0.00 0.04 1.56 0.34 -0.92 0.00 0.00 175.35 176.37 2pmt s ASP 42 N -2.92 6.68 0.33 2.83 2.15 -1.26 -0.97 116.67 123.51 2pmt s ASP 42 Ca 0.51 2.00 0.17 0.00 0.43 0.00 0.00 52.55 55.66 2pmt s ASP 42 Cb -0.10 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.43 2pmt s ASP 42 CO 0.28 -0.95 1.62 0.15 -0.17 0.00 0.00 175.17 176.10 2pmt h PHE 43 N 9.46 0.00 0.00 -5.34 3.57 -1.55 -3.11 116.94 119.97 2pmt h PHE 43 Ca -0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2pmt h PHE 43 Cb 1.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2pmt h PHE 43 CO 0.87 0.45 0.00 -0.07 -2.23 0.00 0.00 178.31 177.33 2pmt h LEU 44 N 0.00 0.00 -0.03 0.59 3.38 -1.75 0.10 115.31 117.60 2pmt h LEU 44 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2pmt h LEU 44 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2pmt h LEU 44 CO 0.06 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 178.05 2pmt h ALA 45 N 2.02 0.66 0.00 1.53 0.00 -1.93 -2.97 119.26 118.57 2pmt h ALA 45 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2pmt h ALA 45 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2pmt h ALA 45 CO 0.00 0.67 -0.46 0.82 0.00 0.00 0.00 179.25 180.27 2pmt h ILE 46 N 0.00 0.83 -3.24 0.00 2.04 -1.28 -3.44 117.51 112.41 2pmt h ILE 46 Ca -0.01 -1.76 -0.59 0.00 1.00 0.00 0.00 64.86 63.51 2pmt h ILE 46 Cb 1.40 1.70 -0.40 0.00 -0.74 0.00 0.00 36.82 38.78 2pmt h ILE 46 CO 0.07 0.28 -0.75 0.21 0.00 0.00 0.00 178.15 177.95 2pmt s ASN 47 N -6.17 4.01 0.60 1.72 2.47 0.21 -5.00 114.94 112.79 2pmt s ASN 47 Ca -0.17 -1.60 0.29 0.00 0.42 0.00 0.00 52.86 51.80 2pmt s ASN 47 Cb 0.01 -0.93 1.57 0.00 -1.45 0.00 0.00 41.25 40.45 2pmt s ASN 47 CO 0.43 -0.39 1.97 -0.65 -3.72 0.00 0.00 177.10 174.73 2pmt h PRO 48 N 8.05 0.00 0.00 0.43 0.11 -1.76 0.26 132.00 139.09 2pmt h PRO 48 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2pmt h PRO 48 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2pmt h PRO 48 CO 0.46 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.88 2pmt n LYS 49 N -3.59 0.02 -2.76 1.05 5.02 -1.26 -4.94 118.16 111.70 2pmt n LYS 49 Ca 0.04 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 2pmt n LYS 49 Cb 0.51 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 2pmt n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pmt n GLY 50 N 0.93 -0.51 3.34 0.72 0.00 0.92 -5.01 105.19 105.57 2pmt n GLY 50 Ca 0.06 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 2pmt n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pmt s GLN 51 N -5.43 1.40 0.19 1.61 -0.21 -1.26 -5.05 119.66 110.91 2pmt s GLN 51 Ca 0.18 -1.74 0.10 0.00 0.02 0.00 0.00 55.36 53.91 2pmt s GLN 51 Cb -0.08 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.40 2pmt s GLN 51 CO 0.22 -0.19 -0.15 0.14 -2.12 0.00 0.00 175.29 173.19 2pmt s VAL 52 N -3.55 2.89 0.81 1.09 -7.23 -1.26 -4.58 120.40 108.56 2pmt s VAL 52 Ca 0.33 -1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 58.56 2pmt s VAL 52 Cb 0.07 -2.42 0.08 0.00 0.56 0.00 0.00 36.38 34.66 2pmt s VAL 52 CO 0.11 -0.13 1.13 -2.16 -0.31 0.00 0.00 175.10 173.74 2pmt s PRO 53 N -2.82 2.01 -0.14 4.82 0.04 -1.26 -4.66 135.00 132.98 2pmt s PRO 53 Ca 0.24 0.38 -0.08 0.00 0.04 0.00 0.00 61.00 61.58 2pmt s PRO 53 Cb -0.08 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2pmt s PRO 53 CO 0.13 -1.62 0.34 0.08 0.04 0.00 0.00 177.00 175.98 2pmt s VAL 54 N -3.34 -0.03 -0.13 -0.36 1.01 -1.20 -4.16 120.40 112.20 2pmt s VAL 54 Ca 0.61 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2pmt s VAL 54 Cb -0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 2pmt s VAL 54 CO 0.52 0.04 -0.16 -0.22 0.00 0.00 0.00 175.10 175.27 2pmt s LEU 55 N 1.10 2.48 -0.27 3.92 2.96 -0.17 -1.03 118.68 127.67 2pmt s LEU 55 Ca -0.07 -0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2pmt s LEU 55 Cb -0.08 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 2pmt s LEU 55 CO -0.09 0.14 0.17 -1.58 -1.32 0.00 0.00 176.35 173.67 2pmt s GLN 56 N 0.51 3.92 0.59 1.98 0.74 0.06 -0.48 119.66 126.99 2pmt s GLN 56 Ca -0.11 -0.34 -0.09 0.00 0.05 0.00 0.00 55.36 54.88 2pmt s GLN 56 Cb -0.16 -3.60 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 2pmt s GLN 56 CO 0.04 -0.15 0.95 -0.51 -0.55 0.00 0.00 175.29 175.08 2pmt s LEU 57 N 1.64 3.27 0.51 3.68 1.43 0.31 -1.63 118.68 127.90 2pmt s LEU 57 Ca 0.07 1.09 0.17 0.00 -1.03 0.00 0.00 54.13 54.43 2pmt s LEU 57 Cb -0.16 -4.02 1.26 0.00 0.03 0.00 0.00 46.19 43.31 2pmt s LEU 57 CO 0.09 -0.93 2.12 0.44 0.23 0.00 0.00 176.35 178.31 2pmt h ASP 58 N -0.21 0.03 -0.00 2.29 3.32 -1.96 -0.48 116.42 119.40 2pmt h ASP 58 Ca -0.45 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2pmt h ASP 58 Cb 1.22 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2pmt h ASP 58 CO 0.62 0.02 0.00 -0.46 -1.72 0.00 0.00 179.24 177.70 2pmt n ASN 59 N -4.51 0.03 0.00 6.45 0.23 -1.26 -4.88 115.26 111.31 2pmt n ASN 59 Ca -0.01 -1.16 0.00 0.00 -0.53 0.00 0.00 54.58 52.89 2pmt n ASN 59 Cb 0.16 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 2pmt n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pmt n GLY 60 N 0.93 3.25 3.68 4.83 0.00 -0.19 -5.06 105.19 112.63 2pmt n GLY 60 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2pmt n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pmt n ASP 61 N 0.00 1.54 -4.53 1.61 2.03 -1.26 -4.60 116.55 111.34 2pmt n ASP 61 Ca 0.00 0.83 -0.34 0.00 0.52 0.00 0.00 54.79 55.80 2pmt n ASP 61 Cb 0.00 -1.49 -0.12 0.00 -0.72 0.00 0.00 41.12 38.79 2pmt n ASP 61 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2pmt s ILE 62 N -1.44 3.60 -0.10 5.18 -1.09 -1.26 -0.53 121.20 125.56 2pmt s ILE 62 Ca 0.79 -0.50 0.02 0.00 -2.23 0.00 0.00 60.65 58.74 2pmt s ILE 62 Cb -0.40 -2.49 0.01 0.00 -1.58 0.00 0.00 42.46 38.00 2pmt s ILE 62 CO 0.44 0.56 -0.17 -0.22 -1.23 0.00 0.00 174.94 174.32 2pmt s LEU 63 N -0.39 1.82 0.46 2.97 0.20 0.37 -4.99 118.68 119.12 2pmt s LEU 63 Ca 0.05 -0.44 0.06 0.00 0.69 0.00 0.00 54.13 54.49 2pmt s LEU 63 Cb -0.12 -1.13 -0.03 0.00 -0.43 0.00 0.00 46.19 44.48 2pmt s LEU 63 CO 0.02 0.06 0.14 0.42 -0.29 0.00 0.00 176.35 176.71 2pmt s THR 64 N 0.74 1.88 0.02 3.68 -4.23 -1.26 -1.00 115.64 115.47 2pmt s THR 64 Ca -0.12 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 2pmt s THR 64 Cb -0.16 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2pmt s THR 64 CO 0.02 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.48 2pmt n GLU 65 N -1.28 -1.40 -0.33 3.99 -0.58 -1.26 -4.46 120.64 115.32 2pmt n GLU 65 Ca -0.06 1.38 0.11 0.00 -0.42 0.00 0.00 57.16 58.17 2pmt n GLU 65 Cb 0.66 -1.53 0.28 0.00 -0.57 0.00 0.00 31.44 30.28 2pmt n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2pmt h GLY 66 N 1.14 1.61 1.82 0.62 0.00 -1.93 -0.75 103.07 105.59 2pmt h GLY 66 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 2pmt h GLY 66 CO 0.00 -0.07 -0.09 -2.08 0.00 0.00 0.00 176.54 174.31 2pmt h VAL 67 N 0.69 1.15 0.05 4.60 2.07 -1.94 -1.25 116.25 121.62 2pmt h VAL 67 Ca 0.53 -0.64 -0.27 0.00 0.82 0.00 0.00 66.70 67.14 2pmt h VAL 67 Cb 0.81 1.14 0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2pmt h VAL 67 CO -0.38 0.20 -1.10 0.00 0.02 0.00 0.00 177.57 176.31 2pmt h ALA 68 N 1.70 0.06 -0.33 1.67 0.00 -1.41 -3.18 119.26 117.77 2pmt h ALA 68 Ca 0.05 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 2pmt h ALA 68 Cb 0.29 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pmt h ALA 68 CO 0.02 0.66 0.13 0.82 0.00 0.00 0.00 179.25 180.88 2pmt h ILE 69 N 0.31 1.19 0.00 0.00 2.04 -0.95 -2.08 117.51 118.02 2pmt h ILE 69 Ca -0.15 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2pmt h ILE 69 Cb 1.77 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2pmt h ILE 69 CO 0.21 0.20 -0.26 -0.37 0.00 0.00 0.00 178.15 177.94 2pmt h VAL 70 N 0.39 0.67 0.06 1.67 -1.51 -1.36 -1.79 116.25 114.37 2pmt h VAL 70 Ca 0.11 -1.17 -0.24 0.00 -1.23 0.00 0.00 66.70 64.17 2pmt h VAL 70 Cb 0.20 1.76 0.02 0.00 -2.13 0.00 0.00 31.29 31.14 2pmt h VAL 70 CO -0.01 0.25 -0.99 1.56 -1.23 0.00 0.00 177.57 177.16 2pmt h GLN 71 N 0.00 0.57 -0.68 5.19 4.20 -1.50 -2.23 115.11 120.66 2pmt h GLN 71 Ca -0.00 -0.69 0.00 0.00 0.06 0.00 0.00 58.65 58.02 2pmt h GLN 71 Cb 0.74 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 2pmt h GLN 71 CO 0.03 1.29 0.43 -0.92 -0.67 0.00 0.00 178.83 178.99 2pmt h TYR 72 N 0.16 0.87 0.64 2.96 3.20 -1.18 -1.49 116.97 122.12 2pmt h TYR 72 Ca -0.14 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 2pmt h TYR 72 Cb 1.68 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 39.66 2pmt h TYR 72 CO 0.13 0.57 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.84 2pmt h LEU 73 N 0.92 -0.73 -1.54 2.82 3.38 -1.36 -3.12 115.31 115.69 2pmt h LEU 73 Ca 0.25 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.28 2pmt h LEU 73 Cb -0.07 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2pmt h LEU 73 CO -0.05 -0.40 0.42 0.00 0.09 0.00 0.00 178.44 178.50 2pmt h ALA 74 N -0.82 1.88 0.00 1.53 0.00 -1.39 -0.80 119.26 119.66 2pmt h ALA 74 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pmt h ALA 74 Cb 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2pmt h ALA 74 CO 0.14 -0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.95 2pmt h ASP 75 N 0.54 0.00 1.67 0.00 3.32 -1.23 -2.54 116.42 118.18 2pmt h ASP 75 Ca 0.28 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.27 2pmt h ASP 75 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2pmt h ASP 75 CO -0.09 0.00 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.04 2pmt h LEU 76 N 0.00 0.00 -6.02 1.55 3.38 -1.08 -3.37 115.31 109.77 2pmt h LEU 76 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2pmt h LEU 76 Cb 0.32 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.66 2pmt h LEU 76 CO 0.00 0.32 -0.84 1.17 0.09 0.00 0.00 178.44 179.18 2pmt n LYS 77 N -3.18 1.78 -0.31 1.13 3.00 -0.96 -4.96 118.16 114.66 2pmt n LYS 77 Ca 0.03 -4.03 0.16 0.00 -0.00 0.00 0.00 58.31 54.47 2pmt n LYS 77 Cb 0.66 -1.81 0.35 0.00 0.00 0.00 0.00 35.03 34.23 2pmt n LYS 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2pmt h PRO 78 N 3.91 0.24 0.00 1.64 0.11 -1.74 -0.52 132.00 135.65 2pmt h PRO 78 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2pmt h PRO 78 Cb 0.75 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2pmt h PRO 78 CO 0.67 0.16 0.04 -0.25 -0.21 0.00 0.00 178.00 178.41 2pmt n ASP 79 N -5.17 0.23 0.13 -2.05 8.00 -1.26 -1.56 116.55 114.86 2pmt n ASP 79 Ca 0.25 0.58 0.08 0.00 0.71 0.00 0.00 54.79 56.40 2pmt n ASP 79 Cb 0.78 -0.60 0.03 0.00 -0.02 0.00 0.00 41.12 41.31 2pmt n ASP 79 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2pmt h ARG 80 N 0.00 0.00 -3.19 -1.24 2.47 -1.44 -3.48 114.38 107.49 2pmt h ARG 80 Ca 0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 2pmt h ARG 80 Cb 0.09 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.45 2pmt h ARG 80 CO 0.00 0.15 -0.39 0.09 0.56 0.00 0.00 179.97 180.37 2pmt n ASN 81 N -2.93 -4.53 0.06 7.04 3.02 -0.60 -4.92 115.26 112.40 2pmt n ASN 81 Ca -0.00 -0.21 0.13 0.00 -0.03 0.00 0.00 54.58 54.46 2pmt n ASN 81 Cb 0.64 -3.35 0.30 0.00 -0.61 0.00 0.00 39.78 36.76 2pmt n ASN 81 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2pmt n LEU 82 N -2.77 0.61 -3.76 3.41 4.77 -1.26 -4.69 117.00 113.31 2pmt n LEU 82 Ca -0.06 0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 2pmt n LEU 82 Cb 0.57 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 2pmt n LEU 82 CO 0.32 -0.06 0.02 0.27 -1.33 0.00 0.00 177.39 176.61 2pmt s ILE 83 N -3.10 0.10 0.61 -0.08 -5.25 -1.26 -1.30 121.20 110.91 2pmt s ILE 83 Ca 0.09 -0.80 -0.09 0.00 -0.99 0.00 0.00 60.65 58.86 2pmt s ILE 83 Cb 0.14 -1.09 -0.01 0.00 2.95 0.00 0.00 42.46 44.45 2pmt s ILE 83 CO 0.66 -0.44 0.97 0.00 -1.79 0.00 0.00 174.94 174.34 2pmt s ALA 84 N -3.14 3.15 0.62 2.27 0.00 -1.26 -5.02 121.76 118.39 2pmt s ALA 84 Ca -0.01 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 2pmt s ALA 84 Cb 0.01 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 2pmt s ALA 84 CO -0.07 -0.77 1.30 -2.14 0.00 0.00 0.00 175.76 174.08 2pmt s PRO 85 N -5.10 2.71 0.58 0.00 0.02 -1.26 -4.75 135.00 127.20 2pmt s PRO 85 Ca 0.54 2.07 -0.20 0.00 0.02 0.00 0.00 61.00 63.44 2pmt s PRO 85 Cb -0.11 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 2pmt s PRO 85 CO 0.49 -1.48 1.17 -2.30 -0.33 0.00 0.00 177.00 174.56 2pmt n PRO 86 N -1.70 1.23 -0.66 5.54 -0.02 -1.26 -1.98 135.00 136.14 2pmt n PRO 86 Ca 0.15 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2pmt n PRO 86 Cb 0.48 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2pmt n PRO 86 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pmt n LYS 87 N -1.14 0.00 -2.98 -0.52 5.02 -1.26 -4.99 118.16 112.29 2pmt n LYS 87 Ca 0.13 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.08 2pmt n LYS 87 Cb 0.46 -3.27 -0.06 0.00 -0.02 0.00 0.00 35.03 32.14 2pmt n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pmt s ALA 88 N -2.59 3.22 0.22 7.82 0.00 -0.84 -4.97 121.76 124.62 2pmt s ALA 88 Ca 0.00 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.10 2pmt s ALA 88 Cb 0.00 -2.96 0.19 0.00 0.00 0.00 0.00 23.12 20.35 2pmt s ALA 88 CO 0.00 0.24 1.88 -0.07 0.00 0.00 0.00 175.76 177.81 2pmt h LEU 89 N 2.35 0.89 -1.87 0.00 3.38 -1.94 -1.80 115.31 116.33 2pmt h LEU 89 Ca -0.48 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.52 2pmt h LEU 89 Cb 1.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2pmt h LEU 89 CO 0.64 0.64 0.21 -0.08 0.09 0.00 0.00 178.44 179.93 2pmt h GLU 90 N 1.05 0.16 -0.61 1.13 4.81 -1.93 -1.90 114.58 117.29 2pmt h GLU 90 Ca 0.30 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 2pmt h GLU 90 Cb -0.09 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2pmt h GLU 90 CO -0.08 0.11 0.03 -0.09 -0.73 0.00 0.00 179.01 178.25 2pmt h ARG 91 N 0.17 1.05 0.00 1.92 9.65 -1.57 -2.34 114.38 123.27 2pmt h ARG 91 Ca 0.13 -0.31 -0.10 0.00 -1.10 0.00 0.00 59.98 58.60 2pmt h ARG 91 Cb 0.32 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2pmt h ARG 91 CO -0.02 1.01 -0.50 1.88 2.80 0.00 0.00 179.97 185.14 2pmt h TYR 92 N 0.97 0.00 0.00 2.20 0.05 -1.29 -1.24 116.97 117.66 2pmt h TYR 92 Ca 0.18 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.89 2pmt h TYR 92 Cb 0.51 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2pmt h TYR 92 CO 0.04 0.50 -0.31 0.45 -1.05 0.00 0.00 178.16 177.78 2pmt h HIS 93 N 0.00 0.00 0.07 4.88 3.86 -1.29 -0.39 115.15 122.28 2pmt h HIS 93 Ca -0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 2pmt h HIS 93 Cb 0.94 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.43 2pmt h HIS 93 CO 0.00 0.31 -0.85 1.96 0.86 0.00 0.00 177.93 180.21 2pmt h GLN 94 N 0.00 0.45 -0.77 2.45 4.20 -1.04 -2.36 115.11 118.03 2pmt h GLN 94 Ca -0.00 -0.58 -0.01 0.00 0.06 0.00 0.00 58.65 58.11 2pmt h GLN 94 Cb 1.03 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 2pmt h GLN 94 CO 0.04 1.23 0.44 0.82 -0.67 0.00 0.00 178.83 180.68 2pmt h ILE 95 N -0.05 1.22 -0.62 2.54 2.04 -1.14 0.84 117.51 122.34 2pmt h ILE 95 Ca -0.13 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2pmt h ILE 95 Cb 1.58 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2pmt h ILE 95 CO 0.16 0.25 0.36 -0.08 0.00 0.00 0.00 178.15 178.84 2pmt h GLU 96 N 1.07 0.85 -0.14 2.37 4.81 -1.04 -1.17 114.58 121.34 2pmt h GLU 96 Ca 0.27 -0.09 -0.21 0.00 -0.13 0.00 0.00 59.36 59.21 2pmt h GLU 96 Cb 0.00 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2pmt h GLU 96 CO -0.05 0.62 -0.75 -1.49 -0.73 0.00 0.00 179.01 176.62 2pmt h TRP 97 N 0.84 0.91 -0.63 0.92 4.06 -0.80 -1.73 115.95 119.52 2pmt h TRP 97 Ca 0.22 -0.40 -0.01 0.00 2.06 0.00 0.00 58.89 60.76 2pmt h TRP 97 Cb 0.01 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 2pmt h TRP 97 CO -0.01 1.21 0.36 -0.07 -3.56 0.00 0.00 178.44 176.36 2pmt h LEU 98 N 0.47 0.76 -0.26 -4.49 4.07 -0.67 -0.47 115.31 114.71 2pmt h LEU 98 Ca -0.04 -0.05 -0.21 0.00 0.08 0.00 0.00 57.88 57.66 2pmt h LEU 98 Cb 1.36 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.91 2pmt h LEU 98 CO 0.15 0.60 -0.80 -1.13 -1.08 0.00 0.00 178.44 176.17 2pmt h ASN 99 N 0.87 0.65 -0.34 -0.43 -0.73 -1.09 -1.76 115.58 112.74 2pmt h ASN 99 Ca 0.22 -0.45 -0.01 0.00 1.87 0.00 0.00 56.30 57.93 2pmt h ASN 99 Cb -0.00 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 2pmt h ASN 99 CO -0.04 1.22 0.17 0.15 -0.37 0.00 0.00 177.43 178.56 2pmt h PHE 100 N 0.35 0.49 -0.58 0.67 3.57 -0.71 -1.26 116.94 119.47 2pmt h PHE 100 Ca -0.05 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 2pmt h PHE 100 Cb 1.41 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 2pmt h PHE 100 CO 0.06 0.42 0.00 -0.07 -2.23 0.00 0.00 178.31 176.49 2pmt h LEU 101 N 0.42 0.97 -0.11 0.59 3.38 -1.10 -0.85 115.31 118.60 2pmt h LEU 101 Ca 0.12 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2pmt h LEU 101 Cb 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2pmt h LEU 101 CO -0.02 1.02 -0.08 0.00 0.09 0.00 0.00 178.44 179.46 2pmt h ALA 102 N 1.08 0.15 0.15 1.53 0.00 -1.14 0.29 119.26 121.33 2pmt h ALA 102 Ca 0.17 -0.28 -0.35 0.00 0.00 0.00 0.00 54.91 54.44 2pmt h ALA 102 Cb 0.53 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2pmt h ALA 102 CO 0.03 -0.03 -1.83 0.66 0.00 0.00 0.00 179.25 178.07 2pmt h SER 103 N -0.14 0.51 0.21 0.00 4.64 -1.28 -2.73 113.55 114.75 2pmt h SER 103 Ca 0.02 -0.89 -0.35 0.00 -0.47 0.00 0.00 61.79 60.11 2pmt h SER 103 Cb 0.57 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2pmt h SER 103 CO 0.02 1.77 -1.91 -0.33 -0.87 0.00 0.00 176.83 175.51 2pmt h GLU 104 N 0.09 0.23 0.00 4.77 4.39 -1.33 -3.37 114.58 119.36 2pmt h GLU 104 Ca -0.37 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 58.94 2pmt h GLU 104 Cb 2.07 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.87 2pmt h GLU 104 CO 0.14 1.10 -0.51 0.28 -1.16 0.00 0.00 179.01 178.86 2pmt n VAL 105 N -3.42 1.08 0.03 3.13 0.31 -1.14 -3.52 118.33 114.80 2pmt n VAL 105 Ca -0.28 0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 2pmt n VAL 105 Cb 1.05 -2.16 -0.05 0.00 -0.91 0.00 0.00 33.84 31.77 2pmt n VAL 105 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2pmt h HIS 106 N -0.75 -0.99 0.00 3.52 -0.00 -0.53 0.35 115.15 116.75 2pmt h HIS 106 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2pmt h HIS 106 Cb 0.51 0.44 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 2pmt h HIS 106 CO -0.22 -0.43 0.00 0.87 -0.00 0.00 0.00 177.93 178.15 2pmt h LYS 107 N -0.47 0.00 0.00 5.26 6.56 -1.63 -2.26 116.57 124.03 2pmt h LYS 107 Ca 0.07 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.62 2pmt h LYS 107 Cb 0.58 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 2pmt h LYS 107 CO -0.33 0.00 -0.22 0.78 -2.06 0.00 0.00 179.45 177.62 2pmt h GLY 108 N 1.63 0.00 1.45 3.86 0.00 -0.98 -3.05 103.07 105.98 2pmt h GLY 108 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 2pmt h GLY 108 CO 0.00 0.00 -1.01 -0.97 0.00 0.00 0.00 176.54 174.56 2pmt h TYR 109 N 0.00 0.73 -0.69 5.60 0.05 -0.97 -3.39 116.97 118.31 2pmt h TYR 109 Ca -0.00 -0.41 0.12 0.00 0.05 0.00 0.00 58.73 58.49 2pmt h TYR 109 Cb 0.73 -0.08 -0.12 0.00 1.01 0.00 0.00 36.73 38.27 2pmt h TYR 109 CO 0.00 1.24 -0.22 0.43 -1.05 0.00 0.00 178.16 178.57 2pmt n SER 110 N -3.76 -0.34 0.26 3.88 7.64 -1.15 0.55 113.62 120.70 2pmt n SER 110 Ca -0.08 1.19 0.12 0.00 1.01 0.00 0.00 58.87 61.10 2pmt n SER 110 Cb 0.87 -0.32 0.69 0.00 -1.01 0.00 0.00 64.21 64.45 2pmt n SER 110 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2pmt h PRO 111 N 0.00 0.00 0.00 1.43 0.11 -1.79 -1.88 132.00 129.87 2pmt h PRO 111 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2pmt h PRO 111 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2pmt h PRO 111 CO -0.69 0.13 0.00 1.28 -0.21 0.00 0.00 178.00 178.51 2pmt n LEU 112 N -3.65 0.45 -0.40 2.35 4.77 0.19 -2.62 117.00 118.09 2pmt n LEU 112 Ca -0.02 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.61 2pmt n LEU 112 Cb 0.26 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2pmt n LEU 112 CO 0.31 -0.30 0.33 0.49 -1.33 0.00 0.00 177.39 176.88 2pmt n PHE 113 N -1.96 0.00 -3.47 -1.77 3.72 -0.73 -4.98 117.46 108.27 2pmt n PHE 113 Ca 0.04 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.06 2pmt n PHE 113 Cb 0.29 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 2pmt n PHE 113 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2pmt s SER 114 N -1.46 6.85 0.23 4.37 0.15 -1.05 -4.98 113.70 117.80 2pmt s SER 114 Ca 0.13 1.01 0.12 0.00 0.70 0.00 0.00 55.95 57.91 2pmt s SER 114 Cb 0.11 -2.27 0.02 0.00 -1.71 0.00 0.00 66.02 62.18 2pmt s SER 114 CO 0.27 0.32 1.41 0.77 1.20 0.00 0.00 173.24 177.21 2pmt h SER 115 N 4.69 0.00 -0.09 5.45 4.64 -1.93 -3.28 113.55 123.02 2pmt h SER 115 Ca -0.51 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2pmt h SER 115 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2pmt h SER 115 CO 0.62 0.69 0.00 -0.90 -0.87 0.00 0.00 176.83 176.37 2pmt n ASP 116 N -3.32 1.75 -4.68 4.97 5.68 -1.26 -4.84 116.55 114.85 2pmt n ASP 116 Ca 0.01 -2.14 -0.37 0.00 -0.50 0.00 0.00 54.79 51.79 2pmt n ASP 116 Cb 0.79 -0.53 -0.09 0.00 -1.14 0.00 0.00 41.12 40.15 2pmt n ASP 116 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2pmt s THR 117 N -1.23 5.32 0.10 2.12 2.01 -1.24 -5.04 115.64 117.68 2pmt s THR 117 Ca 0.08 0.33 -0.33 0.00 0.31 0.00 0.00 61.69 62.08 2pmt s THR 117 Cb 0.06 -3.56 -0.12 0.00 0.01 0.00 0.00 72.50 68.89 2pmt s THR 117 CO 0.02 0.34 1.73 -2.65 -0.69 0.00 0.00 174.62 173.37 2pmt n PRO 118 N 4.19 2.39 0.31 4.92 -0.02 -1.26 -4.83 135.00 140.70 2pmt n PRO 118 Ca -0.13 0.87 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 2pmt n PRO 118 Cb 0.52 -2.69 0.91 0.00 -0.02 0.00 0.00 33.50 32.21 2pmt n PRO 118 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2pmt h GLU 119 N 7.42 0.00 0.00 -0.52 4.81 -1.96 0.36 114.58 124.69 2pmt h GLU 119 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2pmt h GLU 119 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2pmt h GLU 119 CO 0.92 0.00 -0.12 0.77 -0.73 0.00 0.00 179.01 179.86 2pmt h SER 120 N 0.00 0.00 0.62 1.04 0.02 -2.05 -3.27 113.55 109.92 2pmt h SER 120 Ca 0.02 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 2pmt h SER 120 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2pmt h SER 120 CO -0.00 0.00 -1.52 0.00 -1.14 0.00 0.00 176.83 174.18 2pmt n TYR 121 N -2.81 0.93 -0.24 3.45 9.36 0.13 -4.35 117.16 123.63 2pmt n TYR 121 Ca 0.04 0.32 0.04 0.00 3.32 0.00 0.00 57.90 61.62 2pmt n TYR 121 Cb 0.50 -1.09 0.15 0.00 -0.63 0.00 0.00 39.34 38.27 2pmt n TYR 121 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2pmt h LEU 122 N 0.00 -0.17 -0.64 2.98 3.38 -1.55 -0.77 115.31 118.54 2pmt h LEU 122 Ca -0.20 0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2pmt h LEU 122 Cb 1.68 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 42.63 2pmt h LEU 122 CO 0.05 -0.10 0.36 -0.65 0.09 0.00 0.00 178.44 178.19 2pmt h PRO 123 N 0.18 0.65 -0.30 1.13 0.11 -1.77 -0.41 132.00 131.59 2pmt h PRO 123 Ca 0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2pmt h PRO 123 Cb 0.66 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2pmt h PRO 123 CO -0.56 0.43 0.19 0.28 -0.21 0.00 0.00 178.00 178.13 2pmt h VAL 124 N 0.67 1.09 -0.40 3.15 2.07 -1.43 -2.13 116.25 119.27 2pmt h VAL 124 Ca 0.28 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2pmt h VAL 124 Cb 0.16 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2pmt h VAL 124 CO -0.17 0.08 0.17 0.58 0.02 0.00 0.00 177.57 178.25 2pmt h VAL 125 N 0.40 1.19 -0.78 2.57 2.07 -0.86 -2.28 116.25 118.56 2pmt h VAL 125 Ca 0.11 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.11 2pmt h VAL 125 Cb -0.03 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2pmt h VAL 125 CO -0.02 0.20 0.49 0.11 0.02 0.00 0.00 177.57 178.37 2pmt h LYS 126 N 0.50 0.92 -0.50 1.57 1.57 -0.92 -2.04 116.57 117.67 2pmt h LYS 126 Ca 0.13 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2pmt h LYS 126 Cb 0.16 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2pmt h LYS 126 CO -0.01 0.61 0.05 -0.91 -0.57 0.00 0.00 179.45 178.61 2pmt h ASN 127 N 0.95 0.82 -0.86 0.86 2.35 -1.24 -0.48 115.58 117.99 2pmt h ASN 127 Ca 0.32 -0.28 0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2pmt h ASN 127 Cb 0.04 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.13 2pmt h ASN 127 CO -0.12 0.89 0.53 0.11 -1.65 0.00 0.00 177.43 177.19 2pmt h LYS 128 N 0.72 0.95 -0.28 0.81 6.56 -1.03 -1.98 116.57 122.31 2pmt h LYS 128 Ca 0.15 -0.06 -0.05 0.00 -1.06 0.00 0.00 60.65 59.63 2pmt h LYS 128 Cb 0.44 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 2pmt h LYS 128 CO 0.02 0.63 -0.02 1.25 -2.06 0.00 0.00 179.45 179.27 2pmt h LEU 129 N 0.98 0.51 -1.30 2.94 6.46 -1.04 -3.04 115.31 120.82 2pmt h LEU 129 Ca 0.37 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 2pmt h LEU 129 Cb 0.15 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 2pmt h LEU 129 CO -0.17 0.71 0.13 0.50 -0.62 0.00 0.00 178.44 179.00 2pmt h LYS 130 N 0.29 0.61 0.00 1.25 3.64 -0.75 -0.69 116.57 120.92 2pmt h LYS 130 Ca 0.08 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2pmt h LYS 130 Cb 0.46 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2pmt h LYS 130 CO 0.02 0.54 -0.07 0.66 -2.27 0.00 0.00 179.45 178.32 2pmt h SER 131 N 0.60 0.00 -0.08 4.20 4.64 -1.26 0.10 113.55 121.76 2pmt h SER 131 Ca 0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 2pmt h SER 131 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2pmt h SER 131 CO -0.01 0.07 -0.13 0.11 -0.87 0.00 0.00 176.83 176.00 2pmt h LYS 132 N 0.00 0.22 -0.02 4.77 6.56 -1.08 -2.68 116.57 124.35 2pmt h LYS 132 Ca -0.00 -0.14 -0.08 0.00 -1.06 0.00 0.00 60.65 59.38 2pmt h LYS 132 Cb 0.13 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 2pmt h LYS 132 CO 0.01 0.71 -0.36 0.74 -2.06 0.00 0.00 179.45 178.49 2pmt h PHE 133 N -0.24 0.04 -0.77 -1.35 0.04 -0.92 -2.02 116.94 111.72 2pmt h PHE 133 Ca 0.01 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2pmt h PHE 133 Cb 0.69 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 2pmt h PHE 133 CO 0.11 0.39 0.37 0.28 -0.60 0.00 0.00 178.31 178.86 2pmt h VAL 134 N 0.03 1.24 -0.33 -0.55 2.07 -0.78 0.33 116.25 118.27 2pmt h VAL 134 Ca 0.00 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 2pmt h VAL 134 Cb 0.65 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2pmt h VAL 134 CO 0.05 0.29 0.10 0.22 0.02 0.00 0.00 177.57 178.25 2pmt h TYR 135 N 1.08 0.53 -0.91 1.57 3.20 -1.10 -1.45 116.97 119.90 2pmt h TYR 135 Ca 0.26 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2pmt h TYR 135 Cb 0.12 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 2pmt h TYR 135 CO 0.01 0.53 0.54 0.82 -1.64 0.00 0.00 178.16 178.42 2pmt h ILE 136 N 0.37 1.25 -0.71 1.81 2.04 -0.77 -2.19 117.51 119.32 2pmt h ILE 136 Ca 0.11 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 2pmt h ILE 136 Cb 0.25 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 2pmt h ILE 136 CO -0.00 0.27 0.35 -1.13 0.00 0.00 0.00 178.15 177.64 2pmt h ASN 137 N 1.26 0.93 -0.42 1.72 -1.24 -0.02 -1.33 115.58 116.48 2pmt h ASN 137 Ca 0.33 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 2pmt h ASN 137 Cb -0.03 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.76 2pmt h ASN 137 CO -0.06 0.79 0.24 0.44 -1.29 0.00 0.00 177.43 177.56 2pmt h ASP 138 N 0.99 0.51 -0.92 1.15 3.32 -0.87 -2.61 116.42 118.00 2pmt h ASP 138 Ca 0.24 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.24 2pmt h ASP 138 Cb 0.11 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 2pmt h ASP 138 CO -0.03 0.43 0.60 0.58 -1.72 0.00 0.00 179.24 179.10 2pmt h VAL 139 N 0.55 1.21 0.00 -1.35 2.07 -1.02 -2.02 116.25 115.68 2pmt h VAL 139 Ca 0.15 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2pmt h VAL 139 Cb 0.02 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.68 2pmt h VAL 139 CO -0.03 0.22 0.00 0.18 0.02 0.00 0.00 177.57 177.97 2pmt n LEU 140 N -4.46 0.00 0.12 2.57 4.77 -0.54 -2.88 117.00 116.58 2pmt n LEU 140 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2pmt n LEU 140 Cb 0.04 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.30 2pmt n LEU 140 CO 0.36 0.00 0.49 0.77 -1.33 0.00 0.00 177.39 177.68 2pmt h SER 141 N 0.00 0.00 0.00 -1.43 4.64 -1.17 -3.34 113.55 112.25 2pmt h SER 141 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2pmt h SER 141 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pmt h SER 141 CO 0.00 0.03 0.00 2.29 -0.87 0.00 0.00 176.83 178.28 2pmt n LYS 142 N -2.56 2.91 -3.57 4.77 -0.00 -1.14 -5.05 118.16 113.51 2pmt n LYS 142 Ca 0.03 -1.48 -0.11 0.00 -0.00 0.00 0.00 58.31 56.76 2pmt n LYS 142 Cb 0.49 -1.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.48 2pmt n LYS 142 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2pmt s GLN 143 N -0.98 1.13 0.14 -1.58 -2.07 -1.24 -5.07 119.66 109.98 2pmt s GLN 143 Ca 0.00 -0.64 0.06 0.00 -1.82 0.00 0.00 55.36 52.96 2pmt s GLN 143 Cb 0.00 0.50 -0.14 0.00 -1.09 0.00 0.00 33.01 32.29 2pmt s GLN 143 CO 0.00 -0.46 1.31 0.87 -1.32 0.00 0.00 175.29 175.70 2pmt h LYS 144 N 2.27 0.03 -5.06 9.60 1.57 -1.85 -3.42 116.57 119.71 2pmt h LYS 144 Ca -0.34 -0.05 -0.39 0.00 -1.87 0.00 0.00 60.65 57.99 2pmt h LYS 144 Cb 1.27 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.46 2pmt h LYS 144 CO 0.44 0.97 -0.63 0.00 -0.57 0.00 0.00 179.45 179.66 2pmt h VAL 146 N 2.35 1.15 -0.11 0.00 -1.51 -1.91 -3.07 116.25 113.15 2pmt h VAL 146 Ca -0.39 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2pmt h VAL 146 Cb 1.24 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2pmt h VAL 146 CO 0.65 0.14 0.00 0.00 -1.23 0.00 0.00 177.57 177.13 2pmt n GLY 148 N 0.82 -0.52 0.07 0.00 0.00 -1.16 -4.97 105.19 99.43 2pmt n GLY 148 Ca 0.10 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.67 2pmt n GLY 148 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pmt n ASP 149 N 0.00 0.71 -4.66 1.61 5.75 -1.26 -1.14 116.55 117.56 2pmt n ASP 149 Ca 0.00 0.11 -0.25 0.00 -0.01 0.00 0.00 54.79 54.64 2pmt n ASP 149 Cb 0.00 0.49 -0.09 0.00 -1.03 0.00 0.00 41.12 40.49 2pmt n ASP 149 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2pmt s HIS 150 N -3.26 2.55 -0.10 2.11 -3.43 -1.26 -4.67 115.29 107.23 2pmt s HIS 150 Ca 0.03 -0.54 -0.30 0.00 -0.80 0.00 0.00 55.06 53.45 2pmt s HIS 150 Cb 0.12 -1.69 -0.02 0.00 -1.43 0.00 0.00 32.58 29.56 2pmt s HIS 150 CO 0.77 0.39 1.13 0.12 -2.00 0.00 0.00 174.74 175.15 2pmt s PHE 151 N -2.59 3.28 0.46 0.38 5.36 -1.26 -4.74 117.98 118.87 2pmt s PHE 151 Ca 0.37 1.35 0.03 0.00 -0.96 0.00 0.00 56.93 57.71 2pmt s PHE 151 Cb 0.04 -3.34 -0.02 0.00 -0.34 0.00 0.00 43.02 39.36 2pmt s PHE 151 CO 0.20 -0.90 0.08 0.95 -1.46 0.00 0.00 175.22 174.08 2pmt s THR 152 N 2.33 0.81 0.49 0.12 -4.23 -1.26 -4.52 115.64 109.38 2pmt s THR 152 Ca 0.52 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.28 2pmt s THR 152 Cb -0.21 -2.23 0.29 0.00 1.34 0.00 0.00 72.50 71.69 2pmt s THR 152 CO 0.19 0.00 2.13 -0.37 -0.54 0.00 0.00 174.62 176.02 2pmt h VAL 153 N 1.56 0.69 0.00 2.29 -1.51 -1.55 -1.88 116.25 115.85 2pmt h VAL 153 Ca -0.39 -0.33 -0.08 0.00 -1.23 0.00 0.00 66.70 64.67 2pmt h VAL 153 Cb 1.29 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 2pmt h VAL 153 CO 0.64 0.08 -0.39 0.00 -1.23 0.00 0.00 177.57 176.67 2pmt h ALA 154 N 1.92 1.28 -0.19 5.19 0.00 -1.93 -2.49 119.26 123.04 2pmt h ALA 154 Ca -0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 2pmt h ALA 154 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pmt h ALA 154 CO 0.01 0.49 -0.57 -0.44 0.00 0.00 0.00 179.25 178.74 2pmt h ASP 155 N 0.00 0.66 -0.65 0.00 3.32 -1.74 -1.22 116.42 116.80 2pmt h ASP 155 Ca -0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 2pmt h ASP 155 Cb 0.73 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2pmt h ASP 155 CO 0.05 1.09 0.26 0.00 -1.72 0.00 0.00 179.24 178.92 2pmt h ALA 156 N 0.92 1.19 -0.20 3.45 0.00 -1.42 -1.34 119.26 121.86 2pmt h ALA 156 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2pmt h ALA 156 Cb 1.12 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2pmt h ALA 156 CO 0.11 0.59 -0.18 -0.92 0.00 0.00 0.00 179.25 178.84 2pmt h TYR 157 N 0.98 0.56 -0.62 0.00 3.20 -1.26 -2.76 116.97 117.08 2pmt h TYR 157 Ca 0.23 -0.17 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2pmt h TYR 157 Cb 0.20 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2pmt h TYR 157 CO 0.02 0.82 0.02 1.25 -1.64 0.00 0.00 178.16 178.62 2pmt h LEU 158 N 0.14 1.05 -0.60 2.82 5.85 -1.03 -1.59 115.31 121.94 2pmt h LEU 158 Ca 0.03 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2pmt h LEU 158 Cb 0.72 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2pmt h LEU 158 CO 0.05 1.09 0.38 0.15 -0.34 0.00 0.00 178.44 179.77 2pmt h PHE 159 N 0.98 0.71 -0.19 1.25 3.57 -1.28 -0.54 116.94 121.44 2pmt h PHE 159 Ca 0.18 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2pmt h PHE 159 Cb 0.54 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2pmt h PHE 159 CO 0.04 0.42 0.06 1.15 -2.23 0.00 0.00 178.31 177.74 2pmt h THR 160 N 0.75 0.95 0.00 4.41 2.02 -1.20 -2.44 112.91 117.40 2pmt h THR 160 Ca 0.23 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 2pmt h THR 160 Cb -0.01 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2pmt h THR 160 CO -0.09 0.03 -0.24 -0.07 0.37 0.00 0.00 175.52 175.52 2pmt h LEU 161 N 0.15 0.00 -0.39 2.58 3.38 -0.93 -2.93 115.31 117.17 2pmt h LEU 161 Ca 0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 2pmt h LEU 161 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2pmt h LEU 161 CO -0.09 0.24 -0.73 0.28 0.09 0.00 0.00 178.44 178.23 2pmt h SER 162 N 0.00 0.51 -0.77 -0.43 0.02 -0.77 -3.24 113.55 108.86 2pmt h SER 162 Ca -0.00 -0.33 0.19 0.00 -0.84 0.00 0.00 61.79 60.80 2pmt h SER 162 Cb 0.64 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 2pmt h SER 162 CO 0.03 1.08 0.53 1.56 -1.14 0.00 0.00 176.83 178.89 2pmt h GLN 163 N 0.29 0.22 0.00 3.45 1.08 -1.25 -2.09 115.11 116.82 2pmt h GLN 163 Ca -0.03 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 2pmt h GLN 163 Cb 1.31 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 2pmt h GLN 163 CO 0.13 0.15 -0.31 -1.49 -0.95 0.00 0.00 178.83 176.36 2pmt h TRP 164 N 0.23 0.00 -0.88 2.96 6.55 -1.69 -3.37 115.95 119.75 2pmt h TRP 164 Ca 0.38 0.00 0.11 0.00 0.95 0.00 0.00 58.89 60.33 2pmt h TRP 164 Cb 1.16 0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 29.34 2pmt h TRP 164 CO -0.00 0.31 -0.43 0.00 -1.05 0.00 0.00 178.44 177.26 2pmt n ALA 165 N -2.23 -0.35 -0.25 1.49 0.00 -0.79 -0.85 120.51 117.53 2pmt n ALA 165 Ca 0.01 0.81 0.04 0.00 0.00 0.00 0.00 53.44 54.30 2pmt n ALA 165 Cb 0.52 -0.25 0.28 0.00 0.00 0.00 0.00 19.45 20.00 2pmt n ALA 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2pmt h PRO 166 N 0.00 0.91 0.00 0.00 0.11 -1.74 -1.68 132.00 129.60 2pmt h PRO 166 Ca 0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2pmt h PRO 166 Cb 0.44 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2pmt h PRO 166 CO -0.85 0.60 0.00 0.45 -0.21 0.00 0.00 178.00 177.99 2pmt h HIS 167 N 0.94 0.00 0.00 0.65 3.86 -1.25 -2.42 115.15 116.92 2pmt h HIS 167 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 2pmt h HIS 167 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2pmt h HIS 167 CO -0.00 0.00 -0.02 1.33 0.86 0.00 0.00 177.93 180.10 2pmt n VAL 168 N -2.60 1.53 -3.67 2.45 0.24 -0.91 -4.99 118.33 110.38 2pmt n VAL 168 Ca -0.01 -1.79 -0.24 0.00 -2.04 0.00 0.00 64.34 60.27 2pmt n VAL 168 Cb 0.14 0.02 0.06 0.00 -1.47 0.00 0.00 33.84 32.58 2pmt n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pmt n ALA 169 N -1.10 -1.57 -2.76 2.33 0.00 -0.91 -4.97 120.51 111.52 2pmt n ALA 169 Ca 0.11 0.15 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 2pmt n ALA 169 Cb 0.53 -3.97 -0.11 0.00 0.00 0.00 0.00 19.45 15.89 2pmt n ALA 169 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2pmt s LEU 170 N -7.00 4.04 -0.23 0.00 2.96 -0.68 -5.04 118.68 112.73 2pmt s LEU 170 Ca 0.39 -0.30 -0.23 0.00 -0.22 0.00 0.00 54.13 53.76 2pmt s LEU 170 Cb -0.18 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 2pmt s LEU 170 CO 0.77 -0.13 0.76 -0.62 -1.32 0.00 0.00 176.35 175.80 2pmt s ASP 171 N 1.68 6.76 -0.09 3.68 2.15 -1.26 -4.27 116.67 125.32 2pmt s ASP 171 Ca 0.06 0.94 0.12 0.00 0.43 0.00 0.00 52.55 54.10 2pmt s ASP 171 Cb -0.16 -2.40 0.19 0.00 -0.30 0.00 0.00 42.92 40.24 2pmt s ASP 171 CO 0.08 -0.44 1.08 0.18 -0.17 0.00 0.00 175.17 175.90 2pmt n LEU 172 N 5.76 1.76 0.06 -1.34 4.77 -1.26 -4.76 117.00 121.99 2pmt n LEU 172 Ca 0.03 -2.45 0.12 0.00 -0.03 0.00 0.00 56.01 53.69 2pmt n LEU 172 Cb 0.48 -0.28 0.47 0.00 -2.33 0.00 0.00 43.42 41.76 2pmt n LEU 172 CO 0.46 0.57 0.88 0.35 -1.33 0.00 0.00 177.39 178.32 2pmt n THR 173 N -1.00 0.53 1.38 -5.08 -2.24 -1.26 -2.60 114.28 104.02 2pmt n THR 173 Ca 0.11 -0.02 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 2pmt n THR 173 Cb 0.61 -0.74 0.48 0.00 -2.10 0.00 0.00 70.33 68.58 2pmt n THR 173 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2pmt n ASP 174 N -1.93 1.07 -4.23 3.42 5.75 -1.26 -4.45 116.55 114.92 2pmt n ASP 174 Ca 0.05 -1.06 -0.44 0.00 -0.01 0.00 0.00 54.79 53.34 2pmt n ASP 174 Cb 0.33 0.05 -0.00 0.00 -1.03 0.00 0.00 41.12 40.47 2pmt n ASP 174 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2pmt n LEU 175 N -0.42 5.65 -0.26 -2.12 4.77 -1.07 -4.89 117.00 118.66 2pmt n LEU 175 Ca 0.15 -5.10 0.06 0.00 -0.03 0.00 0.00 56.01 51.09 2pmt n LEU 175 Cb 0.33 -1.39 0.29 0.00 -2.33 0.00 0.00 43.42 40.32 2pmt n LEU 175 CO 0.22 1.46 1.23 0.77 -1.33 0.00 0.00 177.39 179.74 2pmt h SER 176 N 6.26 0.79 -0.72 -1.43 4.64 -1.84 0.24 113.55 121.50 2pmt h SER 176 Ca 0.18 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 2pmt h SER 176 Cb 0.80 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 2pmt h SER 176 CO 1.09 0.50 0.20 0.45 -0.87 0.00 0.00 176.83 178.20 2pmt h HIS 177 N 0.90 1.18 -0.39 4.77 3.86 -1.90 -0.42 115.15 123.15 2pmt h HIS 177 Ca 0.37 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 2pmt h HIS 177 Cb 0.27 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2pmt h HIS 177 CO -0.00 0.95 -0.25 1.25 0.86 0.00 0.00 177.93 180.74 2pmt h LEU 178 N 1.07 0.90 -0.72 2.43 5.85 -1.67 -2.07 115.31 121.11 2pmt h LEU 178 Ca 0.23 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2pmt h LEU 178 Cb 0.34 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2pmt h LEU 178 CO -0.00 1.13 0.32 1.56 -0.34 0.00 0.00 178.44 181.11 2pmt h GLN 179 N 0.67 1.05 -0.36 1.25 1.08 -0.68 0.56 115.11 118.69 2pmt h GLN 179 Ca 0.08 -0.17 -0.14 0.00 -1.45 0.00 0.00 58.65 56.97 2pmt h GLN 179 Cb 0.82 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2pmt h GLN 179 CO 0.07 0.85 -0.33 -0.44 -0.95 0.00 0.00 178.83 178.03 2pmt h ASP 180 N 1.02 0.83 -0.50 1.46 3.32 -1.03 -2.11 116.42 119.41 2pmt h ASP 180 Ca 0.24 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 2pmt h ASP 180 Cb 0.16 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2pmt h ASP 180 CO -0.03 1.09 0.03 0.22 -1.72 0.00 0.00 179.24 178.84 2pmt h TYR 181 N 0.67 0.92 -0.33 4.55 3.20 -1.07 -1.87 116.97 123.04 2pmt h TYR 181 Ca 0.07 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2pmt h TYR 181 Cb 0.87 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2pmt h TYR 181 CO 0.05 0.86 0.15 -0.07 -1.64 0.00 0.00 178.16 177.51 2pmt h LEU 182 N 0.72 0.44 -1.00 2.82 3.38 -0.78 -1.03 115.31 119.86 2pmt h LEU 182 Ca 0.15 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2pmt h LEU 182 Cb 0.47 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2pmt h LEU 182 CO 0.02 0.45 0.64 0.00 0.09 0.00 0.00 178.44 179.65 2pmt h ALA 183 N 1.00 1.36 0.19 1.53 0.00 -1.26 -0.94 119.26 121.15 2pmt h ALA 183 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2pmt h ALA 183 Cb 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2pmt h ALA 183 CO -0.01 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.61 2pmt h ARG 184 N 1.19 -0.24 -0.86 0.00 3.08 -0.91 -3.12 114.38 113.52 2pmt h ARG 184 Ca 0.42 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.62 2pmt h ARG 184 Cb 0.12 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.16 2pmt h ARG 184 CO -0.16 0.07 0.56 0.82 -1.07 0.00 0.00 179.97 180.19 2pmt h ILE 185 N -0.56 0.85 0.00 2.04 1.08 -0.85 -1.80 117.51 118.26 2pmt h ILE 185 Ca -0.03 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 64.16 2pmt h ILE 185 Cb 0.42 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 2pmt h ILE 185 CO 0.04 0.12 -0.24 0.00 -0.69 0.00 0.00 178.15 177.38 2pmt h ALA 186 N 1.60 1.25 -0.18 1.87 0.00 -1.12 -2.86 119.26 119.82 2pmt h ALA 186 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2pmt h ALA 186 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2pmt h ALA 186 CO -0.19 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2pmt n GLN 187 N -3.74 1.48 -2.53 0.00 10.64 -0.67 -4.05 117.38 118.51 2pmt n GLN 187 Ca -0.01 -0.74 -0.42 0.00 -1.83 0.00 0.00 57.00 53.99 2pmt n GLN 187 Cb 0.35 -1.24 -0.03 0.00 -0.86 0.00 0.00 30.24 28.46 2pmt n GLN 187 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2pmt s ARG 188 N -1.77 4.49 0.21 2.61 0.52 -1.08 -4.92 118.95 119.00 2pmt s ARG 188 Ca 0.21 1.64 -0.12 0.00 -0.52 0.00 0.00 55.73 56.94 2pmt s ARG 188 Cb 0.11 -3.38 0.27 0.00 0.52 0.00 0.00 34.95 32.46 2pmt s ARG 188 CO 0.15 -0.16 1.65 -1.35 0.02 0.00 0.00 175.30 175.61 2pmt h PRO 189 N 6.71 0.06 0.00 3.54 0.10 -1.91 0.82 132.00 141.32 2pmt h PRO 189 Ca -0.42 -0.00 -0.05 0.00 0.10 0.00 0.00 66.00 65.63 2pmt h PRO 189 Cb 1.22 -0.01 -0.01 0.00 0.10 0.00 0.00 31.00 32.30 2pmt h PRO 189 CO 0.78 0.04 -0.22 -0.91 0.10 0.00 0.00 178.00 177.79 2pmt h ASN 190 N 0.06 0.00 0.09 -2.05 2.35 -1.93 0.13 115.58 114.23 2pmt h ASN 190 Ca 0.31 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.94 2pmt h ASN 190 Cb 0.49 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.88 2pmt h ASN 190 CO -0.57 0.22 -0.51 0.58 -1.65 0.00 0.00 177.43 175.50 2pmt h VAL 191 N 0.00 1.62 -0.65 2.81 2.07 -1.63 -2.98 116.25 117.48 2pmt h VAL 191 Ca -0.00 -2.47 0.02 0.00 0.82 0.00 0.00 66.70 65.07 2pmt h VAL 191 Cb 0.45 3.28 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 2pmt h VAL 191 CO 0.03 0.68 0.41 -0.74 0.02 0.00 0.00 177.57 177.97 2pmt h HIS 192 N -0.61 0.77 0.00 1.57 -0.00 -0.71 -1.62 115.15 114.56 2pmt h HIS 192 Ca -0.09 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.25 2pmt h HIS 192 Cb 1.40 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 28.55 2pmt h HIS 192 CO 0.23 0.45 -0.25 1.03 -0.00 0.00 0.00 177.93 179.40 2pmt h SER 193 N 0.82 0.00 -0.23 3.26 0.87 -1.08 -1.61 113.55 115.58 2pmt h SER 193 Ca 0.26 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 2pmt h SER 193 Cb -0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2pmt h SER 193 CO -0.09 0.25 -0.39 0.00 -0.53 0.00 0.00 176.83 176.06 2pmt h ALA 194 N 1.75 0.35 -0.26 6.23 0.00 -1.16 -2.01 119.26 124.17 2pmt h ALA 194 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2pmt h ALA 194 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2pmt h ALA 194 CO 0.03 0.45 0.09 -0.07 0.00 0.00 0.00 179.25 179.76 2pmt h LEU 195 N 0.38 0.37 0.22 0.00 3.38 -1.05 -2.42 115.31 116.19 2pmt h LEU 195 Ca 0.02 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2pmt h LEU 195 Cb 0.99 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2pmt h LEU 195 CO 0.09 0.46 -0.27 0.58 0.09 0.00 0.00 178.44 179.38 2pmt h VAL 196 N 0.26 0.42 0.00 1.22 2.07 -1.22 -1.82 116.25 117.18 2pmt h VAL 196 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2pmt h VAL 196 Cb 0.21 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2pmt h VAL 196 CO -0.00 0.00 0.13 0.74 0.02 0.00 0.00 177.57 178.45 2pmt h THR 197 N -0.55 0.00 -0.02 2.57 2.02 -1.28 -1.45 112.91 114.21 2pmt h THR 197 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2pmt h THR 197 Cb 0.53 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2pmt h THR 197 CO -0.09 0.00 -0.39 -0.62 0.37 0.00 0.00 175.52 174.79 2pmt n GLU 198 N -2.97 1.26 -0.21 6.66 1.02 -0.77 -4.96 120.64 120.68 2pmt n GLU 198 Ca -0.03 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.11 2pmt n GLU 198 Cb 0.19 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2pmt n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pmt n GLY 199 N 1.39 0.76 3.73 0.62 0.00 -0.54 -4.72 105.19 106.42 2pmt n GLY 199 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2pmt n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pmt s LEU 200 N 0.00 4.04 0.00 0.99 1.43 -0.76 -5.03 118.68 119.35 2pmt s LEU 200 Ca 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2pmt s LEU 200 Cb 0.00 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2pmt s LEU 200 CO 0.00 0.26 0.00 -0.38 0.23 0.00 0.00 176.35 176.46