#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3u h PRO 4 N 0.00 0.24 0.00 4.33 0.11 -2.05 0.16 132.00 134.79 1r3u h PRO 4 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1r3u h PRO 4 Cb 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1r3u h PRO 4 CO 0.00 0.16 -0.01 0.52 -0.21 0.00 0.00 178.00 178.47 1r3u h MET 5 N 0.25 0.00 0.00 1.05 2.86 -2.02 -2.97 114.93 114.10 1r3u h MET 5 Ca 0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1r3u h MET 5 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 1r3u h MET 5 CO -0.13 0.01 0.00 -0.85 1.06 0.00 0.00 176.91 176.99 1r3u n GLU 6 N -3.10 0.31 -0.08 1.72 -0.00 0.55 -2.80 120.64 117.24 1r3u n GLU 6 Ca 0.00 0.07 0.11 0.00 -0.00 0.00 0.00 57.16 57.34 1r3u n GLU 6 Cb 0.27 -1.50 0.37 0.00 -0.00 0.00 0.00 31.44 30.58 1r3u n GLU 6 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1r3u n ASP 7 N -1.30 1.87 -4.77 -1.84 10.43 -1.12 -4.91 116.55 114.90 1r3u n ASP 7 Ca 0.11 -1.72 -0.37 0.00 2.57 0.00 0.00 54.79 55.37 1r3u n ASP 7 Cb 0.20 -0.10 -0.06 0.00 1.84 0.00 0.00 41.12 42.99 1r3u n ASP 7 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1r3u s ILE 8 N -1.79 5.20 -0.08 0.53 -1.09 -1.12 -1.79 121.20 121.05 1r3u s ILE 8 Ca 0.33 0.75 0.13 0.00 -2.23 0.00 0.00 60.65 59.63 1r3u s ILE 8 Cb 0.18 -3.70 -0.07 0.00 -1.58 0.00 0.00 42.46 37.29 1r3u s ILE 8 CO 0.28 0.44 1.20 -0.08 -1.23 0.00 0.00 174.94 175.54 1r3u h GLU 9 N 6.02 0.00 -1.21 2.79 4.81 -0.65 -3.45 114.58 122.89 1r3u h GLU 9 Ca -0.45 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 58.97 1r3u h GLU 9 Cb 1.19 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.30 1r3u h GLU 9 CO 0.71 0.57 0.82 -1.83 -0.73 0.00 0.00 179.01 178.54 1r3u s GLU 10 N -2.87 0.22 0.00 1.92 -1.05 -1.24 -5.00 118.70 110.69 1r3u s GLU 10 Ca 0.01 0.07 -0.18 0.00 -0.15 0.00 0.00 54.97 54.73 1r3u s GLU 10 Cb 0.08 0.10 -0.06 0.00 -0.44 0.00 0.00 34.13 33.82 1r3u s GLU 10 CO 0.78 -0.06 0.50 0.42 0.95 0.00 0.00 175.26 177.85 1r3u s ILE 11 N -0.91 4.94 -0.21 1.83 1.01 -1.26 -0.99 121.20 125.61 1r3u s ILE 11 Ca 0.06 1.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.72 1r3u s ILE 11 Cb -0.01 -3.83 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 1r3u s ILE 11 CO -0.06 0.50 -0.22 0.18 0.00 0.00 0.00 174.94 175.35 1r3u n LEU 12 N 2.26 2.41 -3.89 2.97 4.77 0.20 -4.94 117.00 120.76 1r3u n LEU 12 Ca -0.10 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 1r3u n LEU 12 Cb 0.51 -0.68 -0.17 0.00 -2.33 0.00 0.00 43.42 40.76 1r3u n LEU 12 CO 0.41 0.69 -0.42 -0.63 -1.33 0.00 0.00 177.39 176.10 1r3u s ILE 13 N -2.40 0.67 0.85 -0.08 1.01 -1.02 -5.01 121.20 115.22 1r3u s ILE 13 Ca -0.28 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1r3u s ILE 13 Cb 0.09 -0.70 0.10 0.00 0.01 0.00 0.00 42.46 41.96 1r3u s ILE 13 CO 0.43 0.27 1.13 0.42 0.00 0.00 0.00 174.94 177.19 1r3u s THR 14 N 1.17 2.36 0.27 2.92 -4.23 -1.26 -1.59 115.64 115.28 1r3u s THR 14 Ca -0.07 0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 60.53 1r3u s THR 14 Cb -0.14 -2.93 0.20 0.00 1.34 0.00 0.00 72.50 70.98 1r3u s THR 14 CO -0.01 -0.15 1.88 -0.08 -0.54 0.00 0.00 174.62 175.71 1r3u h GLU 15 N -1.26 1.05 0.00 3.99 4.81 -1.96 -2.39 114.58 118.82 1r3u h GLU 15 Ca -0.48 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 58.50 1r3u h GLU 15 Cb 1.31 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1r3u h GLU 15 CO 0.62 0.80 -0.50 0.93 -0.73 0.00 0.00 179.01 180.13 1r3u h GLU 16 N 1.05 0.00 -0.03 1.92 4.39 -1.93 -1.28 114.58 118.69 1r3u h GLU 16 Ca 0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1r3u h GLU 16 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1r3u h GLU 16 CO -0.04 0.50 -0.01 1.96 -1.16 0.00 0.00 179.01 180.26 1r3u h GLN 17 N 0.00 0.07 0.23 2.33 4.20 -1.81 -1.86 115.11 118.26 1r3u h GLN 17 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1r3u h GLN 17 Cb 0.89 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1r3u h GLN 17 CO 0.07 0.44 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.36 1r3u h LEU 18 N -0.31 -0.63 -0.80 1.46 3.38 -1.35 0.36 115.31 117.43 1r3u h LEU 18 Ca 0.01 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1r3u h LEU 18 Cb 0.41 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 1r3u h LEU 18 CO 0.00 -0.34 0.30 0.50 0.09 0.00 0.00 178.44 178.99 1r3u h LYS 19 N -0.50 0.38 -0.19 1.13 3.64 -1.25 0.15 116.57 119.93 1r3u h LYS 19 Ca -0.00 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 1r3u h LYS 19 Cb 0.47 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1r3u h LYS 19 CO -0.06 0.25 -0.66 0.00 -2.27 0.00 0.00 179.45 176.72 1r3u h ALA 20 N 1.61 0.34 -0.68 5.00 0.00 -1.00 -2.49 119.26 122.05 1r3u h ALA 20 Ca 0.46 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1r3u h ALA 20 Cb 0.77 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1r3u h ALA 20 CO -0.47 0.63 0.19 -0.22 0.00 0.00 0.00 179.25 179.39 1r3u h LYS 21 N 0.53 1.06 -0.82 0.00 1.63 -0.17 -1.71 116.57 117.08 1r3u h LYS 21 Ca -0.03 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.50 1r3u h LYS 21 Cb 1.28 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 1r3u h LYS 21 CO 0.14 0.94 0.39 0.28 -3.45 0.00 0.00 179.45 177.75 1r3u h VAL 22 N 1.00 1.26 -0.38 2.00 2.07 -0.73 -1.07 116.25 120.39 1r3u h VAL 22 Ca 0.22 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1r3u h VAL 22 Cb 0.33 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1r3u h VAL 22 CO -0.00 0.31 0.17 0.50 0.02 0.00 0.00 177.57 178.57 1r3u h LYS 23 N 1.17 0.55 -0.19 1.57 3.11 -1.15 -0.91 116.57 120.72 1r3u h LYS 23 Ca 0.28 -0.09 0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1r3u h LYS 23 Cb 0.13 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 1r3u h LYS 23 CO -0.03 0.50 0.09 1.49 -2.81 0.00 0.00 179.45 178.69 1r3u h GLU 24 N 0.47 0.19 -0.73 1.90 4.81 -1.01 -1.08 114.58 119.14 1r3u h GLU 24 Ca 0.13 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1r3u h GLU 24 Cb 0.14 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1r3u h GLU 24 CO -0.01 0.13 0.26 -0.07 -0.73 0.00 0.00 179.01 178.58 1r3u h LEU 25 N 0.20 1.02 -0.90 1.64 3.38 -1.08 -2.30 115.31 117.27 1r3u h LEU 25 Ca 0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1r3u h LEU 25 Cb 0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1r3u h LEU 25 CO -0.06 0.92 0.55 1.23 0.09 0.00 0.00 178.44 181.18 1r3u h GLY 26 N 1.11 1.29 0.93 0.83 0.00 -0.70 -1.56 103.07 104.97 1r3u h GLY 26 Ca 0.24 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1r3u h GLY 26 CO -0.02 0.51 0.09 0.83 0.00 0.00 0.00 176.54 177.96 1r3u h GLU 27 N 1.23 0.62 -0.32 4.80 5.08 -0.82 -1.17 114.58 124.00 1r3u h GLU 27 Ca 0.32 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1r3u h GLU 27 Cb -0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1r3u h GLU 27 CO -0.06 0.65 0.20 0.52 -1.00 0.00 0.00 179.01 179.32 1r3u h MET 28 N 0.48 0.40 -0.47 2.33 2.86 -1.08 -1.94 114.93 117.50 1r3u h MET 28 Ca 0.12 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1r3u h MET 28 Cb 0.31 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1r3u h MET 28 CO 0.00 0.26 -0.05 0.82 1.06 0.00 0.00 176.91 179.00 1r3u h ILE 29 N 0.41 1.25 -0.24 -1.22 2.04 -1.26 -0.03 117.51 118.47 1r3u h ILE 29 Ca 0.12 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 1r3u h ILE 29 Cb -0.03 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1r3u h ILE 29 CO -0.04 0.38 0.15 0.74 0.00 0.00 0.00 178.15 179.39 1r3u h THR 30 N 0.75 1.08 -0.07 -0.27 2.02 -0.93 0.12 112.91 115.62 1r3u h THR 30 Ca 0.14 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1r3u h THR 30 Cb 0.53 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1r3u h THR 30 CO 0.03 0.08 0.02 0.03 0.37 0.00 0.00 175.52 176.05 1r3u h ARG 31 N 0.30 0.11 0.00 6.66 3.08 -1.10 -2.16 114.38 121.27 1r3u h ARG 31 Ca 0.09 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1r3u h ARG 31 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1r3u h ARG 31 CO -0.02 0.29 -0.21 -0.44 -1.07 0.00 0.00 179.97 178.52 1r3u h ASP 32 N -0.09 0.00 -0.36 7.04 3.32 -0.84 -3.14 116.42 122.35 1r3u h ASP 32 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1r3u h ASP 32 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1r3u h ASP 32 CO -0.00 0.21 0.00 -1.22 -1.72 0.00 0.00 179.24 176.51 1r3u n TYR 33 N -3.64 0.57 -1.71 4.55 4.02 0.39 -4.95 117.16 116.39 1r3u n TYR 33 Ca -0.01 -0.55 -0.42 0.00 -0.01 0.00 0.00 57.90 56.90 1r3u n TYR 33 Cb 0.34 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 1r3u n TYR 33 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1r3u s GLU 34 N -1.27 4.13 0.00 -0.72 2.12 -0.82 -1.39 118.70 120.75 1r3u s GLU 34 Ca 0.27 2.61 0.00 0.00 0.36 0.00 0.00 54.97 58.21 1r3u s GLU 34 Cb 0.16 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1r3u s GLU 34 CO 0.16 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 1r3u n GLY 35 N 4.18 1.24 4.02 -1.50 0.00 -1.26 -5.05 105.19 106.81 1r3u n GLY 35 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1r3u n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3u s LYS 36 N -0.51 2.58 -0.94 1.61 1.02 -0.49 -5.05 119.74 117.97 1r3u s LYS 36 Ca 0.00 -1.43 -0.07 0.00 0.02 0.00 0.00 55.97 54.49 1r3u s LYS 36 Cb 0.00 -2.71 0.24 0.00 -0.52 0.00 0.00 37.83 34.84 1r3u s LYS 36 CO 0.00 -0.55 0.87 0.34 -0.92 0.00 0.00 175.35 175.09 1r3u s ASP 37 N -4.50 6.60 -0.09 2.83 3.68 -1.26 -4.98 116.67 118.94 1r3u s ASP 37 Ca 0.58 -3.36 -0.28 0.00 2.13 0.00 0.00 52.55 51.62 1r3u s ASP 37 Cb -0.08 -2.09 -0.02 0.00 -1.45 0.00 0.00 42.92 39.29 1r3u s ASP 37 CO 0.36 -0.33 0.95 -0.22 0.13 0.00 0.00 175.17 176.06 1r3u s LEU 38 N -0.85 4.27 -0.15 -1.34 2.96 -1.26 -0.85 118.68 121.46 1r3u s LEU 38 Ca 0.25 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 1r3u s LEU 38 Cb -0.10 -3.47 0.02 0.00 0.50 0.00 0.00 46.19 43.14 1r3u s LEU 38 CO -0.09 -0.38 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.73 1r3u s VAL 39 N 1.74 1.57 -0.19 1.68 1.01 -0.48 -1.82 120.40 123.91 1r3u s VAL 39 Ca 0.47 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1r3u s VAL 39 Cb -0.18 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1r3u s VAL 39 CO 0.19 0.46 0.26 -0.76 0.00 0.00 0.00 175.10 175.25 1r3u s LEU 40 N 1.45 4.20 -0.18 3.92 1.43 0.04 -1.34 118.68 128.20 1r3u s LEU 40 Ca 0.04 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1r3u s LEU 40 Cb -0.13 -2.31 0.04 0.00 0.03 0.00 0.00 46.19 43.82 1r3u s LEU 40 CO -0.10 0.07 -0.11 -0.63 0.23 0.00 0.00 176.35 175.81 1r3u s ILE 41 N 0.74 1.57 0.23 -0.59 1.01 -0.35 -1.22 121.20 122.59 1r3u s ILE 41 Ca 0.14 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.00 1r3u s ILE 41 Cb -0.13 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1r3u s ILE 41 CO 0.04 0.24 0.08 -0.83 0.00 0.00 0.00 174.94 174.47 1r3u s GLY 42 N 1.44 1.60 -0.29 6.18 0.00 -1.14 0.29 107.32 115.40 1r3u s GLY 42 Ca 0.01 -1.47 -0.10 0.00 0.00 0.00 0.00 44.72 43.16 1r3u s GLY 42 CO -0.09 -1.51 0.16 0.14 0.00 0.00 0.00 173.10 171.81 1r3u s VAL 43 N -2.07 4.97 0.47 1.40 1.01 -1.21 -1.80 120.40 123.17 1r3u s VAL 43 Ca 0.31 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 1r3u s VAL 43 Cb -0.08 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 1r3u s VAL 43 CO 0.22 0.21 1.20 -0.76 0.00 0.00 0.00 175.10 175.96 1r3u s LEU 44 N 1.70 4.00 -0.00 3.92 1.43 -0.10 -2.84 118.68 126.78 1r3u s LEU 44 Ca 0.06 2.39 0.17 0.00 -1.03 0.00 0.00 54.13 55.72 1r3u s LEU 44 Cb -0.16 -4.23 -0.20 0.00 0.03 0.00 0.00 46.19 41.63 1r3u s LEU 44 CO 0.09 -1.01 0.68 0.29 0.23 0.00 0.00 176.35 176.62 1r3u n LYS 45 N -0.54 1.28 -0.20 1.70 5.02 -1.26 -4.68 118.16 119.48 1r3u n LYS 45 Ca 0.08 -0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.35 1r3u n LYS 45 Cb 0.47 -1.32 0.11 0.00 -0.02 0.00 0.00 35.03 34.27 1r3u n LYS 45 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1r3u h GLY 46 N 3.90 0.72 1.82 0.72 0.00 -1.77 -2.65 103.07 105.82 1r3u h GLY 46 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1r3u h GLY 46 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.39 1r3u n ALA 47 N -2.66 1.46 -0.09 3.60 0.00 -1.13 -4.15 120.51 117.53 1r3u n ALA 47 Ca 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 1r3u n ALA 47 Cb 0.33 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 1r3u n ALA 47 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r3u h ILE 48 N 0.00 0.23 0.12 0.00 1.08 -1.75 0.32 117.51 117.52 1r3u h ILE 48 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1r3u h ILE 48 Cb 0.12 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1r3u h ILE 48 CO 0.00 0.00 -0.06 0.24 -0.69 0.00 0.00 178.15 177.64 1r3u h MET 49 N -0.29 -0.15 -0.46 2.37 2.86 -1.84 -2.12 114.93 115.30 1r3u h MET 49 Ca 0.15 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1r3u h MET 49 Cb 0.54 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1r3u h MET 49 CO -0.50 -0.01 0.29 0.35 1.06 0.00 0.00 176.91 178.11 1r3u h PHE 50 N -0.27 0.58 -0.48 -0.22 3.57 -1.77 -1.95 116.94 116.41 1r3u h PHE 50 Ca -0.02 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1r3u h PHE 50 Cb 0.21 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1r3u h PHE 50 CO -0.04 0.38 0.20 1.98 -2.23 0.00 0.00 178.31 178.60 1r3u h MET 51 N 0.62 0.38 0.05 1.11 4.05 -0.31 0.11 114.93 120.93 1r3u h MET 51 Ca 0.17 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1r3u h MET 51 Cb -0.05 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 1r3u h MET 51 CO -0.03 0.25 -0.04 1.03 0.23 0.00 0.00 176.91 178.34 1r3u h SER 52 N 0.39 -0.11 -0.40 1.39 0.87 -1.09 -0.29 113.55 114.30 1r3u h SER 52 Ca 0.22 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.64 1r3u h SER 52 Cb 0.19 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1r3u h SER 52 CO -0.20 -0.07 -0.34 1.23 -0.53 0.00 0.00 176.83 176.92 1r3u h GLY 53 N -0.10 1.03 0.79 5.77 0.00 -1.14 -3.02 103.07 106.40 1r3u h GLY 53 Ca 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.28 1r3u h GLY 53 CO -0.01 0.92 -0.02 -2.00 0.00 0.00 0.00 176.54 175.43 1r3u h LEU 54 N 0.79 0.31 -1.84 3.11 5.85 -0.73 -2.62 115.31 120.17 1r3u h LEU 54 Ca 0.07 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1r3u h LEU 54 Cb 0.93 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1r3u h LEU 54 CO 0.09 0.57 -0.00 0.77 -0.34 0.00 0.00 178.44 179.53 1r3u h SER 55 N 0.05 0.08 1.80 1.25 4.64 -1.11 -1.01 113.55 119.25 1r3u h SER 55 Ca 0.05 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1r3u h SER 55 Cb 0.42 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1r3u h SER 55 CO 0.01 0.11 -0.00 -0.09 -0.87 0.00 0.00 176.83 175.99 1r3u h ARG 56 N 0.10 0.00 -0.14 4.77 9.65 -1.38 -3.13 114.38 124.24 1r3u h ARG 56 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1r3u h ARG 56 Cb 0.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1r3u h ARG 56 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.77 1r3u n ALA 57 N -2.10 2.51 -3.16 2.80 0.00 -0.40 -4.76 120.51 115.39 1r3u n ALA 57 Ca 0.03 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.48 1r3u n ALA 57 Cb 0.49 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 1r3u n ALA 57 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r3u s ILE 58 N -1.83 3.95 -1.36 0.00 1.01 -1.08 -3.94 121.20 117.94 1r3u s ILE 58 Ca 0.34 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 1r3u s ILE 58 Cb 0.20 -3.17 0.11 0.00 0.01 0.00 0.00 42.46 39.61 1r3u s ILE 58 CO 0.30 -0.10 2.12 -0.67 0.00 0.00 0.00 174.94 176.59 1r3u n ASP 59 N 4.85 5.38 -3.83 3.58 4.64 -1.26 -4.86 116.55 125.05 1r3u n ASP 59 Ca -0.13 -3.00 -0.10 0.00 -1.38 0.00 0.00 54.79 50.18 1r3u n ASP 59 Cb 0.46 -1.52 -0.08 0.00 -1.04 0.00 0.00 41.12 38.94 1r3u n ASP 59 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1r3u s LEU 60 N 0.29 1.28 -1.25 -2.67 1.02 -1.26 -5.01 118.68 111.08 1r3u s LEU 60 Ca 0.46 -0.37 -0.17 0.00 0.02 0.00 0.00 54.13 54.07 1r3u s LEU 60 Cb 0.13 1.04 -0.02 0.00 0.02 0.00 0.00 46.19 47.36 1r3u s LEU 60 CO -0.04 -0.59 2.12 -2.65 0.02 0.00 0.00 176.35 175.22 1r3u n PRO 61 N 0.58 2.46 -2.98 1.29 -0.02 -1.26 -4.97 135.00 130.11 1r3u n PRO 61 Ca -0.18 -2.40 -0.22 0.00 -2.02 0.00 0.00 63.50 58.67 1r3u n PRO 61 Cb 0.59 -3.20 0.01 0.00 -0.02 0.00 0.00 33.50 30.89 1r3u n PRO 61 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1r3u s LEU 62 N 2.08 3.61 0.18 2.45 0.05 -1.26 -4.71 118.68 121.08 1r3u s LEU 62 Ca 0.50 0.16 0.09 0.00 0.05 0.00 0.00 54.13 54.93 1r3u s LEU 62 Cb 0.14 -3.05 -0.04 0.00 -2.05 0.00 0.00 46.19 41.19 1r3u s LEU 62 CO -0.02 -0.76 -0.13 -0.44 -0.55 0.00 0.00 176.35 174.45 1r3u s SER 63 N -4.26 4.05 -0.00 1.48 0.01 -0.75 -5.03 113.70 109.20 1r3u s SER 63 Ca 0.50 -0.65 0.05 0.00 1.31 0.00 0.00 55.95 57.16 1r3u s SER 63 Cb -0.10 -0.60 -0.01 0.00 0.21 0.00 0.00 66.02 65.51 1r3u s SER 63 CO 0.37 0.11 -0.17 -0.63 0.41 0.00 0.00 173.24 173.33 1r3u s ILE 64 N -1.69 1.31 0.24 1.44 1.01 -1.26 -0.78 121.20 121.47 1r3u s ILE 64 Ca 0.24 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 1r3u s ILE 64 Cb -0.09 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1r3u s ILE 64 CO 0.14 0.32 0.40 -0.62 0.00 0.00 0.00 174.94 175.17 1r3u s ASP 65 N -0.52 0.03 0.05 3.58 -1.08 -0.36 -4.95 116.67 113.42 1r3u s ASP 65 Ca 0.06 -1.07 -0.00 0.00 -0.52 0.00 0.00 52.55 51.02 1r3u s ASP 65 Cb -0.07 0.54 -0.03 0.00 -1.46 0.00 0.00 42.92 41.90 1r3u s ASP 65 CO -0.00 -1.08 -0.04 -0.36 0.52 0.00 0.00 175.17 174.21 1r3u s PHE 66 N -3.99 0.50 -0.01 -5.34 0.40 -1.26 -2.86 117.98 105.41 1r3u s PHE 66 Ca 0.27 -0.86 0.07 0.00 -0.60 0.00 0.00 56.93 55.81 1r3u s PHE 66 Cb 0.01 -0.35 -0.02 0.00 0.51 0.00 0.00 43.02 43.18 1r3u s PHE 66 CO 0.10 -0.28 -0.21 -0.51 0.70 0.00 0.00 175.22 175.02 1r3u s LEU 67 N -2.41 2.05 -0.14 -0.37 1.43 -0.74 -3.70 118.68 114.78 1r3u s LEU 67 Ca -0.00 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1r3u s LEU 67 Cb 0.01 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.16 1r3u s LEU 67 CO -0.06 0.26 -0.14 0.00 0.23 0.00 0.00 176.35 176.64 1r3u s ALA 68 N -0.51 1.82 0.35 4.21 0.00 -0.50 -0.93 121.76 126.20 1r3u s ALA 68 Ca 0.08 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.25 1r3u s ALA 68 Cb -0.08 -1.04 -0.07 0.00 0.00 0.00 0.00 23.12 21.93 1r3u s ALA 68 CO -0.01 -0.37 -0.05 0.14 0.00 0.00 0.00 175.76 175.47 1r3u s VAL 69 N 1.48 2.01 0.19 0.00 -7.23 -1.26 -0.03 120.40 115.56 1r3u s VAL 69 Ca 0.05 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.07 1r3u s VAL 69 Cb -0.13 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1r3u s VAL 69 CO -0.10 -0.16 0.13 -0.55 -0.31 0.00 0.00 175.10 174.11 1r3u s SER 70 N -3.60 0.17 0.10 4.85 0.15 0.21 -4.80 113.70 110.78 1r3u s SER 70 Ca 0.33 -1.33 -0.09 0.00 0.70 0.00 0.00 55.95 55.56 1r3u s SER 70 Cb 0.05 0.37 -0.06 0.00 -1.71 0.00 0.00 66.02 64.67 1r3u s SER 70 CO 0.16 -0.83 0.40 -0.55 1.20 0.00 0.00 173.24 173.62 1r3u s SER 71 N -3.13 6.60 0.03 5.45 0.15 -1.26 -0.54 113.70 120.99 1r3u s SER 71 Ca 0.35 0.74 0.18 0.00 0.70 0.00 0.00 55.95 57.93 1r3u s SER 71 Cb 0.07 -2.16 -0.17 0.00 -1.71 0.00 0.00 66.02 62.06 1r3u s SER 71 CO 0.10 0.13 0.69 -1.22 1.20 0.00 0.00 173.24 174.15 1r3u n TYR 72 N 0.67 0.71 0.00 3.44 4.02 -1.26 -4.78 117.16 119.96 1r3u n TYR 72 Ca -0.06 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1r3u n TYR 72 Cb 0.52 -0.98 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 1r3u n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1r3u n GLY 73 N 1.40 1.38 0.06 2.72 0.00 -1.26 -4.80 105.19 104.70 1r3u n GLY 73 Ca -0.11 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 1r3u n GLY 73 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r3u h SER 74 N 0.00 -0.00 -0.88 1.61 0.02 -1.97 -3.18 113.55 109.15 1r3u h SER 74 Ca 0.00 -0.74 0.18 0.00 -0.84 0.00 0.00 61.79 60.39 1r3u h SER 74 Cb 0.00 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.43 1r3u h SER 74 CO 0.00 0.74 0.44 0.28 -1.14 0.00 0.00 176.83 177.16 1r3u h SER 75 N -0.75 0.49 0.27 3.07 0.02 -1.88 0.27 113.55 115.03 1r3u h SER 75 Ca -0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1r3u h SER 75 Cb 0.74 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1r3u h SER 75 CO 0.00 0.15 -0.13 0.74 -1.14 0.00 0.00 176.83 176.45 1r3u h THR 76 N 0.56 0.76 -0.52 -2.27 2.02 -1.62 -0.95 112.91 110.89 1r3u h THR 76 Ca 0.51 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 67.44 1r3u h THR 76 Cb 0.83 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1r3u h THR 76 CO -0.42 0.04 0.01 0.50 0.37 0.00 0.00 175.52 176.02 1r3u h LYS 77 N -0.44 0.87 0.20 6.66 3.64 -1.37 0.25 116.57 126.37 1r3u h LYS 77 Ca -0.04 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1r3u h LYS 77 Cb 0.34 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1r3u h LYS 77 CO 0.06 0.86 -0.10 0.66 -2.27 0.00 0.00 179.45 178.67 1r3u h SER 78 N 0.81 -0.23 -0.15 4.20 4.64 -0.93 -3.40 113.55 118.49 1r3u h SER 78 Ca 0.16 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1r3u h SER 78 Cb 0.47 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1r3u h SER 78 CO 0.02 0.26 0.00 -1.54 -0.87 0.00 0.00 176.83 174.70 1r3u n SER 79 N -4.95 3.01 -1.70 4.97 3.41 -0.39 -4.99 113.62 112.98 1r3u n SER 79 Ca -0.04 -2.77 -0.18 0.00 -0.26 0.00 0.00 58.87 55.62 1r3u n SER 79 Cb 0.13 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 1r3u n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r3u n GLY 80 N -0.67 0.67 3.71 5.00 0.00 0.86 -4.74 105.19 110.02 1r3u n GLY 80 Ca 0.16 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1r3u n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r3u s ILE 81 N -2.77 4.68 0.16 -0.61 1.01 -1.07 -3.87 121.20 118.73 1r3u s ILE 81 Ca 0.00 1.98 0.07 0.00 0.00 0.00 0.00 60.65 62.70 1r3u s ILE 81 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1r3u s ILE 81 CO 0.00 0.19 -0.14 0.68 0.00 0.00 0.00 174.94 175.67 1r3u s VAL 82 N 0.79 1.54 -0.08 2.92 -7.23 -1.26 -2.81 120.40 114.26 1r3u s VAL 82 Ca 0.52 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.55 1r3u s VAL 82 Cb -0.23 -1.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 1r3u s VAL 82 CO 0.29 -0.53 0.36 -0.75 -0.31 0.00 0.00 175.10 174.16 1r3u s LYS 83 N -3.24 4.04 -0.13 4.82 2.20 0.29 -4.89 119.74 122.83 1r3u s LYS 83 Ca 0.16 0.27 -0.18 0.00 -0.36 0.00 0.00 55.97 55.87 1r3u s LYS 83 Cb -0.02 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1r3u s LYS 83 CO 0.05 0.48 0.46 0.96 -0.36 0.00 0.00 175.35 176.94 1r3u s ILE 84 N -0.34 5.19 -0.15 5.43 -4.36 -1.26 0.66 121.20 126.37 1r3u s ILE 84 Ca 0.21 0.91 0.17 0.00 -0.26 0.00 0.00 60.65 61.68 1r3u s ILE 84 Cb -0.15 -3.80 -0.24 0.00 1.25 0.00 0.00 42.46 39.52 1r3u s ILE 84 CO 0.09 0.32 0.27 -0.38 0.24 0.00 0.00 174.94 175.48 1r3u n ILE 85 N 3.74 1.35 -3.52 8.37 2.08 0.96 -4.87 119.36 127.48 1r3u n ILE 85 Ca -0.07 -0.82 -0.18 0.00 0.56 0.00 0.00 62.75 62.24 1r3u n ILE 85 Cb 0.52 -0.58 -0.13 0.00 -0.75 0.00 0.00 39.64 38.69 1r3u n ILE 85 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1r3u s LYS 86 N -2.60 0.17 0.65 0.38 2.47 -0.56 -4.94 119.74 115.32 1r3u s LYS 86 Ca -0.08 0.23 -0.09 0.00 -1.56 0.00 0.00 55.97 54.47 1r3u s LYS 86 Cb 0.07 -1.14 0.01 0.00 -1.46 0.00 0.00 37.83 35.31 1r3u s LYS 86 CO 0.83 -0.62 1.01 0.34 0.16 0.00 0.00 175.35 177.07 1r3u s ASP 87 N 2.32 5.53 0.40 1.43 -1.08 -1.26 -1.41 116.67 122.60 1r3u s ASP 87 Ca 0.06 0.96 -0.23 0.00 -0.52 0.00 0.00 52.55 52.82 1r3u s ASP 87 Cb -0.15 -1.85 -0.10 0.00 -1.46 0.00 0.00 42.92 39.36 1r3u s ASP 87 CO -0.11 -1.21 0.98 -1.38 0.52 0.00 0.00 175.17 173.97 1r3u s HIS 88 N -3.20 3.38 -0.06 -5.34 -3.43 -1.24 -4.82 115.29 100.58 1r3u s HIS 88 Ca 0.56 1.67 0.07 0.00 -0.80 0.00 0.00 55.06 56.56 1r3u s HIS 88 Cb -0.11 -2.96 -0.24 0.00 -1.43 0.00 0.00 32.58 27.84 1r3u s HIS 88 CO 0.49 -0.21 0.58 -0.25 -2.00 0.00 0.00 174.74 173.35 1r3u n ASP 89 N -0.19 1.25 -4.76 7.38 8.00 -1.26 -4.91 116.55 122.06 1r3u n ASP 89 Ca 0.05 0.36 -0.41 0.00 0.71 0.00 0.00 54.79 55.51 1r3u n ASP 89 Cb 0.52 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1r3u n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r3u s ILE 90 N -2.59 3.05 -0.49 0.53 1.01 -1.26 -4.96 121.20 116.49 1r3u s ILE 90 Ca -0.10 1.04 -0.29 0.00 0.00 0.00 0.00 60.65 61.30 1r3u s ILE 90 Cb 0.08 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.91 1r3u s ILE 90 CO 0.81 0.24 1.18 -0.62 0.00 0.00 0.00 174.94 176.54 1r3u s ASP 91 N -0.55 6.57 -0.05 3.58 -1.08 -1.26 -4.91 116.67 118.97 1r3u s ASP 91 Ca 0.48 0.43 0.08 0.00 -0.52 0.00 0.00 52.55 53.02 1r3u s ASP 91 Cb -0.37 -2.55 0.33 0.00 -1.46 0.00 0.00 42.92 38.87 1r3u s ASP 91 CO 0.47 -1.32 1.15 2.30 0.52 0.00 0.00 175.17 178.29 1r3u n ILE 92 N 6.85 0.82 -2.31 4.11 -5.35 -1.26 -4.87 119.36 117.34 1r3u n ILE 92 Ca 0.12 -0.53 -0.42 0.00 -0.27 0.00 0.00 62.75 61.65 1r3u n ILE 92 Cb 0.49 -0.08 -0.03 0.00 -1.74 0.00 0.00 39.64 38.28 1r3u n ILE 92 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1r3u s GLU 93 N -1.67 4.31 -0.45 6.28 2.12 -1.25 -2.52 118.70 125.50 1r3u s GLU 93 Ca 0.23 1.85 0.00 0.00 0.36 0.00 0.00 54.97 57.41 1r3u s GLU 93 Cb 0.15 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1r3u s GLU 93 CO 0.11 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 1r3u n GLY 94 N 3.54 0.70 3.60 -1.50 0.00 0.18 -4.87 105.19 106.83 1r3u n GLY 94 Ca 0.12 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1r3u n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3u s LYS 95 N -1.86 2.18 -0.61 1.61 1.02 -1.05 -4.37 119.74 116.65 1r3u s LYS 95 Ca 0.00 -1.26 -0.20 0.00 0.02 0.00 0.00 55.97 54.53 1r3u s LYS 95 Cb 0.00 -2.20 0.09 0.00 -0.52 0.00 0.00 37.83 35.19 1r3u s LYS 95 CO 0.00 0.43 0.80 -0.51 -0.92 0.00 0.00 175.35 175.15 1r3u s ASP 96 N -3.00 6.18 0.03 2.83 1.01 -0.03 -0.49 116.67 123.20 1r3u s ASP 96 Ca 0.27 -1.22 -0.12 0.00 0.71 0.00 0.00 52.55 52.19 1r3u s ASP 96 Cb -0.08 -2.35 -0.06 0.00 1.01 0.00 0.00 42.92 41.44 1r3u s ASP 96 CO 0.17 -1.23 0.39 -0.69 0.21 0.00 0.00 175.17 174.01 1r3u s VAL 97 N 3.24 5.09 -0.20 -1.27 1.01 -0.43 -1.38 120.40 126.45 1r3u s VAL 97 Ca 0.16 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.75 1r3u s VAL 97 Cb -0.21 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.57 1r3u s VAL 97 CO 0.08 0.45 0.01 -0.22 0.00 0.00 0.00 175.10 175.42 1r3u s LEU 98 N -1.46 1.50 -0.11 3.92 2.96 -0.45 -1.95 118.68 123.09 1r3u s LEU 98 Ca 0.27 -0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 53.02 1r3u s LEU 98 Cb -0.15 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 1r3u s LEU 98 CO 0.15 -0.28 1.15 -0.63 -1.32 0.00 0.00 176.35 175.42 1r3u s ILE 99 N 1.74 4.43 -0.25 6.68 1.01 0.01 -1.21 121.20 133.61 1r3u s ILE 99 Ca -0.02 1.73 -0.08 0.00 0.00 0.00 0.00 60.65 62.28 1r3u s ILE 99 Cb -0.17 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1r3u s ILE 99 CO -0.07 -0.05 0.09 -0.69 0.00 0.00 0.00 174.94 174.21 1r3u s VAL 100 N 2.59 4.55 0.22 2.92 1.01 0.14 -0.26 120.40 131.57 1r3u s VAL 100 Ca 0.52 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.52 1r3u s VAL 100 Cb -0.21 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1r3u s VAL 100 CO 0.17 0.33 -0.21 -1.61 0.00 0.00 0.00 175.10 173.79 1r3u s GLU 101 N 1.55 1.51 -0.07 2.72 0.41 0.12 -3.30 118.70 121.64 1r3u s GLU 101 Ca 0.06 -1.60 -0.16 0.00 -0.41 0.00 0.00 54.97 52.86 1r3u s GLU 101 Cb -0.15 -1.65 -0.29 0.00 -1.78 0.00 0.00 34.13 30.25 1r3u s GLU 101 CO 0.05 0.33 0.69 0.38 -0.49 0.00 0.00 175.26 176.22 1r3u h ASP 102 N 2.81 0.48 -3.65 -0.19 2.03 -1.86 -3.09 116.42 112.96 1r3u h ASP 102 Ca -0.42 -0.90 -0.07 0.00 -0.73 0.00 0.00 57.03 54.91 1r3u h ASP 102 Cb 1.23 -0.16 -0.23 0.00 -0.83 0.00 0.00 39.33 39.34 1r3u h ASP 102 CO 0.54 1.61 -0.10 -0.51 -1.03 0.00 0.00 179.24 179.75 1r3u s ILE 103 N -2.49 -0.00 -0.17 4.15 2.07 -1.26 -2.39 121.20 121.10 1r3u s ILE 103 Ca -0.17 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.09 1r3u s ILE 103 Cb 0.04 -0.78 0.00 0.00 0.13 0.00 0.00 42.46 41.85 1r3u s ILE 103 CO 0.81 0.01 -0.16 -0.51 -1.91 0.00 0.00 174.94 173.18 1r3u s ILE 104 N 0.72 2.55 0.00 2.00 2.07 -1.12 -5.00 121.20 122.42 1r3u s ILE 104 Ca -0.03 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 58.41 1r3u s ILE 104 Cb -0.05 -2.08 0.00 0.00 0.13 0.00 0.00 42.46 40.46 1r3u s ILE 104 CO -0.05 0.51 0.00 -0.90 -1.91 0.00 0.00 174.94 172.59 1r3u n ASP 105 N 4.26 0.00 -0.13 4.50 5.75 -1.26 -1.37 116.55 128.30 1r3u n ASP 105 Ca -0.19 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.46 1r3u n ASP 105 Cb 0.51 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.59 1r3u n ASP 105 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1r3u h SER 106 N 0.00 0.98 0.00 -1.12 4.64 -1.85 -2.72 113.55 113.48 1r3u h SER 106 Ca 0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1r3u h SER 106 Cb 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 1r3u h SER 106 CO 0.00 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 1r3u n GLY 107 N 0.04 0.45 0.41 -0.77 0.00 -1.26 -0.34 105.19 103.73 1r3u n GLY 107 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1r3u n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r3u h LEU 108 N 0.00 -0.86 -1.11 0.99 3.38 -1.92 -1.81 115.31 113.98 1r3u h LEU 108 Ca 0.00 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1r3u h LEU 108 Cb 0.11 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1r3u h LEU 108 CO 0.00 -0.49 0.61 0.74 0.09 0.00 0.00 178.44 179.39 1r3u h THR 109 N -1.26 1.05 -0.59 0.22 2.02 -1.85 -2.13 112.91 110.37 1r3u h THR 109 Ca -0.10 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1r3u h THR 109 Cb 0.78 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1r3u h THR 109 CO 0.17 0.19 0.13 0.25 0.37 0.00 0.00 175.52 176.63 1r3u h LEU 110 N 1.05 0.90 -0.87 2.58 5.85 -1.86 -0.87 115.31 122.10 1r3u h LEU 110 Ca 0.41 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1r3u h LEU 110 Cb 0.23 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1r3u h LEU 110 CO -0.16 0.91 0.28 0.00 -0.34 0.00 0.00 178.44 179.12 1r3u h ALA 111 N 1.03 1.09 -0.24 1.25 0.00 -0.71 -0.17 119.26 121.52 1r3u h ALA 111 Ca 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1r3u h ALA 111 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1r3u h ALA 111 CO 0.00 0.64 0.03 -0.92 0.00 0.00 0.00 179.25 179.01 1r3u h TYR 112 N 1.08 0.43 -0.17 0.00 3.20 -1.16 -2.00 116.97 118.34 1r3u h TYR 112 Ca 0.25 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1r3u h TYR 112 Cb 0.23 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1r3u h TYR 112 CO 0.02 0.53 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.81 1r3u h LEU 113 N 0.21 0.29 -0.39 2.82 3.38 -0.82 -0.69 115.31 120.10 1r3u h LEU 113 Ca 0.07 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1r3u h LEU 113 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1r3u h LEU 113 CO 0.01 0.50 -0.27 -0.09 0.09 0.00 0.00 178.44 178.68 1r3u h ARG 114 N 0.27 0.87 -0.32 1.13 2.43 -0.92 -0.59 114.38 117.26 1r3u h ARG 114 Ca 0.05 -0.41 -0.09 0.00 -0.81 0.00 0.00 59.98 58.72 1r3u h ARG 114 Cb 0.50 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1r3u h ARG 114 CO 0.03 1.06 -0.17 1.49 -1.51 0.00 0.00 179.97 180.88 1r3u h GLU 115 N 0.68 0.57 -0.29 0.20 4.57 -1.09 -1.15 114.58 118.07 1r3u h GLU 115 Ca 0.08 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.93 1r3u h GLU 115 Cb 0.84 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1r3u h GLU 115 CO 0.07 0.71 -0.34 1.15 -1.18 0.00 0.00 179.01 179.42 1r3u h THR 116 N 0.51 1.30 0.00 0.32 2.02 -0.92 -2.97 112.91 113.17 1r3u h THR 116 Ca 0.09 -1.52 -0.11 0.00 0.77 0.00 0.00 66.41 65.64 1r3u h THR 116 Cb 0.58 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1r3u h THR 116 CO 0.04 0.49 -0.51 -0.07 0.37 0.00 0.00 175.52 175.84 1r3u h LEU 117 N 0.50 0.00 -1.14 2.58 3.38 -0.96 -2.92 115.31 116.76 1r3u h LEU 117 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1r3u h LEU 117 Cb 0.93 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1r3u h LEU 117 CO 0.08 0.51 -0.03 -0.07 0.09 0.00 0.00 178.44 179.03 1r3u h LEU 118 N 0.00 0.54 0.00 1.67 3.38 -1.16 -1.69 115.31 118.05 1r3u h LEU 118 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1r3u h LEU 118 Cb 1.12 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1r3u h LEU 118 CO 0.07 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.84 1r3u n GLY 119 N -0.78 -0.66 1.35 0.83 0.00 -1.10 -1.17 105.19 103.67 1r3u n GLY 119 Ca 0.01 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1r3u n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3u n ARG 120 N -1.48 2.89 -3.43 1.61 1.74 -0.64 -5.01 116.66 112.35 1r3u n ARG 120 Ca 0.01 -2.67 -0.20 0.00 -0.77 0.00 0.00 57.85 54.22 1r3u n ARG 120 Cb 0.06 -1.60 0.06 0.00 -1.02 0.00 0.00 32.46 29.96 1r3u n ARG 120 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1r3u n LYS 121 N 1.51 -2.89 -1.61 5.56 5.02 -0.32 -3.96 118.16 121.47 1r3u n LYS 121 Ca 0.24 0.74 -0.31 0.00 -2.02 0.00 0.00 58.31 56.96 1r3u n LYS 121 Cb 0.65 -5.37 0.04 0.00 -0.02 0.00 0.00 35.03 30.34 1r3u n LYS 121 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1r3u s PRO 122 N -5.07 3.02 0.24 1.97 0.02 -1.25 -0.65 135.00 133.28 1r3u s PRO 122 Ca 0.35 0.94 -0.00 0.00 0.02 0.00 0.00 61.00 62.30 1r3u s PRO 122 Cb -0.07 -2.00 0.26 0.00 0.02 0.00 0.00 34.50 32.71 1r3u s PRO 122 CO 0.78 -1.03 1.62 -0.09 -0.33 0.00 0.00 177.00 177.95 1r3u h ARG 123 N -0.65 0.55 -2.54 5.54 2.43 -0.99 -3.42 114.38 115.30 1r3u h ARG 123 Ca -0.44 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.41 1r3u h ARG 123 Cb 1.21 -0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 30.58 1r3u h ARG 123 CO 0.57 0.83 0.05 -1.54 -1.51 0.00 0.00 179.97 178.37 1r3u s SER 124 N -6.84 -0.48 -0.05 -3.80 1.04 -1.18 -4.99 113.70 97.40 1r3u s SER 124 Ca -0.07 0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 1r3u s SER 124 Cb 0.13 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.76 1r3u s SER 124 CO 0.82 -0.65 0.02 -0.22 0.98 0.00 0.00 173.24 174.19 1r3u s LEU 125 N -1.62 0.57 0.26 2.42 2.96 -1.26 -1.32 118.68 120.70 1r3u s LEU 125 Ca -0.08 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1r3u s LEU 125 Cb -0.01 -0.27 -0.05 0.00 0.50 0.00 0.00 46.19 46.35 1r3u s LEU 125 CO 0.03 -0.19 0.04 -0.54 -1.32 0.00 0.00 176.35 174.37 1r3u s LYS 126 N 1.80 1.43 -0.01 1.98 1.02 -0.82 -5.03 119.74 120.10 1r3u s LYS 126 Ca 0.01 -1.75 0.08 0.00 0.02 0.00 0.00 55.97 54.33 1r3u s LYS 126 Cb -0.12 -0.57 -0.02 0.00 -0.52 0.00 0.00 37.83 36.60 1r3u s LYS 126 CO -0.04 -0.17 -0.25 0.42 -0.92 0.00 0.00 175.35 174.39 1r3u s ILE 127 N -3.49 1.98 -0.06 2.17 1.01 -1.26 -0.81 121.20 120.74 1r3u s ILE 127 Ca 0.33 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1r3u s ILE 127 Cb 0.07 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1r3u s ILE 127 CO 0.12 0.52 -0.03 0.00 0.00 0.00 0.00 174.94 175.54 1r3u s THR 129 N 1.28 0.93 -0.03 0.00 -1.32 -0.72 0.11 115.64 115.89 1r3u s THR 129 Ca -0.05 -1.03 0.01 0.00 -1.21 0.00 0.00 61.69 59.41 1r3u s THR 129 Cb -0.14 -0.88 -0.26 0.00 -1.51 0.00 0.00 72.50 69.71 1r3u s THR 129 CO -0.02 -0.13 0.71 -0.29 -2.21 0.00 0.00 174.62 172.68 1r3u h ILE 130 N 4.49 0.97 -3.11 5.08 6.09 -1.60 -1.54 117.51 127.90 1r3u h ILE 130 Ca -0.37 -2.70 -0.63 0.00 -1.37 0.00 0.00 64.86 59.79 1r3u h ILE 130 Cb 1.19 2.61 -0.18 0.00 0.47 0.00 0.00 36.82 40.91 1r3u h ILE 130 CO 0.43 0.75 -0.81 -0.76 -3.07 0.00 0.00 178.15 174.69 1r3u s LEU 131 N -6.73 2.45 -0.18 2.19 1.43 -1.01 -0.34 118.68 116.48 1r3u s LEU 131 Ca -0.10 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.00 1r3u s LEU 131 Cb 0.07 -1.10 0.06 0.00 0.03 0.00 0.00 46.19 45.25 1r3u s LEU 131 CO 0.82 0.09 0.45 -0.62 0.23 0.00 0.00 176.35 177.32 1r3u s ASP 132 N -2.76 -0.56 -0.67 2.29 2.15 -0.26 -2.79 116.67 114.07 1r3u s ASP 132 Ca 0.21 0.97 0.00 0.00 0.43 0.00 0.00 52.55 54.16 1r3u s ASP 132 Cb -0.07 0.88 0.17 0.00 -0.30 0.00 0.00 42.92 43.59 1r3u s ASP 132 CO 0.10 -0.19 0.48 -0.54 -0.17 0.00 0.00 175.17 174.84 1r3u s LYS 133 N 1.23 2.57 0.21 4.34 1.02 -0.47 -0.97 119.74 127.67 1r3u s LYS 133 Ca -0.08 -2.83 -0.09 0.00 0.02 0.00 0.00 55.97 52.99 1r3u s LYS 133 Cb -0.07 -3.64 0.29 0.00 -0.52 0.00 0.00 37.83 33.89 1r3u s LYS 133 CO -0.11 -1.20 1.75 -1.35 -0.92 0.00 0.00 175.35 173.52 1r3u h PRO 134 N 6.45 0.44 0.00 -1.68 0.11 -1.83 -2.33 132.00 133.15 1r3u h PRO 134 Ca 0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1r3u h PRO 134 Cb 0.88 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1r3u h PRO 134 CO 0.74 0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 177.97 1r3u n GLU 135 N -4.96 0.32 -0.01 1.05 0.28 -1.26 -2.27 120.64 113.78 1r3u n GLU 135 Ca 0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.13 1r3u n GLU 135 Cb 0.27 -1.48 0.04 0.00 1.43 0.00 0.00 31.44 31.70 1r3u n GLU 135 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1r3u n ARG 136 N -0.98 0.25 -1.51 3.44 0.63 -0.88 -5.04 116.66 112.58 1r3u n ARG 136 Ca 0.07 -1.02 -0.39 0.00 -0.92 0.00 0.00 57.85 55.59 1r3u n ARG 136 Cb 0.03 -1.15 0.03 0.00 0.45 0.00 0.00 32.46 31.82 1r3u n ARG 136 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1r3u n ARG 137 N 0.43 0.67 0.00 -0.14 5.12 -0.96 -3.47 116.66 118.31 1r3u n ARG 137 Ca 0.05 0.26 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 1r3u n ARG 137 Cb 0.21 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 1r3u n ARG 137 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1r3u n GLU 138 N -0.15 0.00 -4.14 5.56 1.02 0.54 -4.88 120.64 118.60 1r3u n GLU 138 Ca 0.12 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 1r3u n GLU 138 Cb 0.46 -0.27 -0.13 0.00 -0.02 0.00 0.00 31.44 31.48 1r3u n GLU 138 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r3u s ALA 139 N 0.00 0.58 -1.51 0.62 0.00 -0.62 -4.88 121.76 115.94 1r3u s ALA 139 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 1r3u s ALA 139 Cb 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1r3u s ALA 139 CO 0.00 0.06 2.66 -3.47 0.00 0.00 0.00 175.76 175.01 1r3u n ASP 140 N 2.13 6.82 -4.88 0.00 2.03 -1.26 -4.89 116.55 116.50 1r3u n ASP 140 Ca -0.18 -2.65 -0.35 0.00 0.52 0.00 0.00 54.79 52.13 1r3u n ASP 140 Cb 0.56 -1.56 -0.05 0.00 -0.72 0.00 0.00 41.12 39.35 1r3u n ASP 140 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1r3u s VAL 141 N 2.64 5.38 -0.23 5.18 1.01 -1.26 -5.09 120.40 128.04 1r3u s VAL 141 Ca 0.61 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.67 1r3u s VAL 141 Cb 0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1r3u s VAL 141 CO -0.06 0.46 0.07 -0.75 0.00 0.00 0.00 175.10 174.81 1r3u s LYS 142 N -1.50 3.76 -0.35 2.72 2.36 -1.26 -5.07 119.74 120.40 1r3u s LYS 142 Ca 0.23 -0.43 -0.13 0.00 -2.55 0.00 0.00 55.97 53.09 1r3u s LYS 142 Cb -0.13 -3.29 -0.01 0.00 -1.05 0.00 0.00 37.83 33.35 1r3u s LYS 142 CO 0.12 -0.04 0.23 0.08 1.55 0.00 0.00 175.35 177.30 1r3u s VAL 143 N 1.22 5.14 0.14 4.02 1.01 -1.26 -4.51 120.40 126.16 1r3u s VAL 143 Ca 0.05 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1r3u s VAL 143 Cb -0.14 -3.67 -0.19 0.00 0.00 0.00 0.00 36.38 32.38 1r3u s VAL 143 CO 0.03 -0.04 1.32 0.44 0.00 0.00 0.00 175.10 176.86 1r3u h ASP 144 N 8.48 0.06 -3.26 3.32 3.32 -1.80 -3.44 116.42 123.10 1r3u h ASP 144 Ca -0.31 -0.06 -0.41 0.00 0.02 0.00 0.00 57.03 56.28 1r3u h ASP 144 Cb 1.15 -0.02 -0.39 0.00 0.22 0.00 0.00 39.33 40.29 1r3u h ASP 144 CO 0.64 0.98 -0.75 -0.31 -1.72 0.00 0.00 179.24 178.08 1r3u s TYR 145 N -2.88 0.28 0.05 4.55 1.51 -0.72 -5.02 117.35 115.13 1r3u s TYR 145 Ca -0.00 0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1r3u s TYR 145 Cb 0.10 -0.62 -0.03 0.00 -0.11 0.00 0.00 41.96 41.30 1r3u s TYR 145 CO 0.82 -0.29 -0.21 0.00 -1.11 0.00 0.00 175.55 174.76 1r3u n GLY 147 N 1.73 0.67 3.25 0.00 0.00 -0.58 -4.99 105.19 105.28 1r3u n GLY 147 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1r3u n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r3u s PHE 148 N 0.00 1.69 -0.20 1.61 0.40 0.54 -5.00 117.98 117.03 1r3u s PHE 148 Ca 0.00 -0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 1r3u s PHE 148 Cb 0.00 -0.95 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 1r3u s PHE 148 CO 0.00 0.15 0.12 0.15 0.70 0.00 0.00 175.22 176.34 1r3u s LYS 149 N -1.67 4.15 0.17 0.44 3.01 -1.26 -1.10 119.74 123.48 1r3u s LYS 149 Ca 0.05 -0.24 0.07 0.00 -1.01 0.00 0.00 55.97 54.84 1r3u s LYS 149 Cb -0.10 -3.39 -0.04 0.00 -1.01 0.00 0.00 37.83 33.29 1r3u s LYS 149 CO 0.03 0.29 -0.14 0.96 0.51 0.00 0.00 175.35 177.00 1r3u s ILE 150 N 0.38 1.53 1.05 2.17 -4.36 -0.14 -4.93 121.20 116.88 1r3u s ILE 150 Ca 0.07 -2.02 -0.13 0.00 -0.26 0.00 0.00 60.65 58.31 1r3u s ILE 150 Cb -0.11 -1.85 0.22 0.00 1.25 0.00 0.00 42.46 41.96 1r3u s ILE 150 CO -0.02 -0.55 1.08 -2.84 0.24 0.00 0.00 174.94 172.86 1r3u s PRO 151 N -3.33 0.01 -1.48 0.37 0.02 -1.26 -4.47 135.00 124.86 1r3u s PRO 151 Ca 0.17 0.49 -0.13 0.00 0.02 0.00 0.00 61.00 61.55 1r3u s PRO 151 Cb -0.02 -1.69 0.03 0.00 0.02 0.00 0.00 34.50 32.84 1r3u s PRO 151 CO 0.05 -3.01 2.32 -3.47 -0.33 0.00 0.00 177.00 172.56 1r3u n ASP 152 N -4.37 4.63 -4.56 2.53 2.03 -1.26 -4.92 116.55 110.64 1r3u n ASP 152 Ca 0.05 -2.81 -0.26 0.00 0.52 0.00 0.00 54.79 52.29 1r3u n ASP 152 Cb 0.57 -1.64 -0.09 0.00 -0.72 0.00 0.00 41.12 39.24 1r3u n ASP 152 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1r3u s LYS 153 N 2.94 2.02 -0.91 -0.67 1.02 -1.26 -5.05 119.74 117.83 1r3u s LYS 153 Ca 0.50 -1.38 -0.24 0.00 0.02 0.00 0.00 55.97 54.87 1r3u s LYS 153 Cb 0.14 -2.09 -0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1r3u s LYS 153 CO -0.08 0.40 1.69 0.12 -0.92 0.00 0.00 175.35 176.57 1r3u s PHE 154 N -1.93 2.11 -0.05 3.18 5.36 -1.26 -4.96 117.98 120.43 1r3u s PHE 154 Ca 0.26 0.02 -0.06 0.00 -0.96 0.00 0.00 56.93 56.20 1r3u s PHE 154 Cb -0.08 -4.35 -0.04 0.00 -0.34 0.00 0.00 43.02 38.21 1r3u s PHE 154 CO 0.16 -1.90 0.19 0.14 -1.46 0.00 0.00 175.22 172.35 1r3u s VAL 155 N 7.67 5.42 0.22 3.12 -7.23 -1.26 -1.11 120.40 127.23 1r3u s VAL 155 Ca 0.58 0.11 0.01 0.00 -1.81 0.00 0.00 61.98 60.87 1r3u s VAL 155 Cb -0.05 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.35 1r3u s VAL 155 CO -0.01 0.47 0.06 0.68 -0.31 0.00 0.00 175.10 175.99 1r3u s VAL 156 N -1.19 0.58 0.00 1.32 -7.23 -0.01 -4.75 120.40 109.13 1r3u s VAL 156 Ca 0.22 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1r3u s VAL 156 Cb -0.13 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1r3u s VAL 156 CO 0.12 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 1r3u n GLY 157 N -0.37 2.49 4.07 2.32 0.00 -0.78 -1.67 105.19 111.25 1r3u n GLY 157 Ca -0.02 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 1r3u n GLY 157 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r3u n TYR 158 N 1.25 -1.66 0.00 1.61 9.36 -0.11 -1.83 117.16 125.78 1r3u n TYR 158 Ca 0.00 0.76 0.00 0.00 3.32 0.00 0.00 57.90 61.98 1r3u n TYR 158 Cb 0.00 -3.42 0.00 0.00 -0.63 0.00 0.00 39.34 35.29 1r3u n TYR 158 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1r3u n GLY 159 N -1.85 2.93 3.75 2.98 0.00 -0.67 -4.58 105.19 107.75 1r3u n GLY 159 Ca -0.18 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1r3u n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3u s LEU 160 N 0.00 4.45 0.49 0.99 1.43 -0.76 -4.40 118.68 120.87 1r3u s LEU 160 Ca 0.00 2.43 0.01 0.00 -1.03 0.00 0.00 54.13 55.54 1r3u s LEU 160 Cb 0.00 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1r3u s LEU 160 CO 0.00 -0.45 0.05 1.51 0.23 0.00 0.00 176.35 177.69 1r3u s ASP 161 N -0.09 3.76 -0.26 2.29 -4.77 -1.26 -1.86 116.67 114.48 1r3u s ASP 161 Ca 0.52 -1.72 -0.01 0.00 -3.30 0.00 0.00 52.55 48.05 1r3u s ASP 161 Cb -0.36 0.66 0.14 0.00 -1.09 0.00 0.00 42.92 42.26 1r3u s ASP 161 CO 0.42 -0.95 0.35 -0.47 0.70 0.00 0.00 175.17 175.22 1r3u s TYR 162 N -2.99 -0.73 -1.57 2.11 5.04 -0.48 -4.83 117.35 113.90 1r3u s TYR 162 Ca 0.08 0.37 -0.05 0.00 -2.44 0.00 0.00 57.07 55.03 1r3u s TYR 162 Cb 0.01 -0.19 0.01 0.00 0.35 0.00 0.00 41.96 42.13 1r3u s TYR 162 CO 0.05 -0.83 0.61 0.00 -1.34 0.00 0.00 175.55 174.04 1r3u n ALA 163 N 5.34 -0.97 -0.37 3.97 0.00 -1.26 -1.94 120.51 125.28 1r3u n ALA 163 Ca -0.02 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1r3u n ALA 163 Cb 0.49 -3.92 0.00 0.00 0.00 0.00 0.00 19.45 16.02 1r3u n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1r3u n GLU 164 N -4.05 0.00 -3.21 0.00 -0.58 -1.26 -5.03 120.64 106.51 1r3u n GLU 164 Ca -0.12 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.42 1r3u n GLU 164 Cb 0.62 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1r3u n GLU 164 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1r3u s LYS 165 N -0.03 3.05 0.00 3.49 -0.14 -0.82 -4.53 119.74 120.76 1r3u s LYS 165 Ca 0.00 -0.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.80 1r3u s LYS 165 Cb 0.00 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 1r3u s LYS 165 CO 0.00 -0.13 0.00 0.66 -0.76 0.00 0.00 175.35 175.12 1r3u n TYR 166 N -1.86 0.00 0.23 3.18 4.02 -1.26 -1.39 117.16 120.08 1r3u n TYR 166 Ca 0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.97 1r3u n TYR 166 Cb 0.58 -0.35 0.54 0.00 -0.02 0.00 0.00 39.34 40.10 1r3u n TYR 166 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r3u h ARG 167 N 2.01 0.00 -0.10 -0.72 3.08 -1.79 -2.68 114.38 114.17 1r3u h ARG 167 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r3u h ARG 167 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1r3u h ARG 167 CO 0.00 0.20 0.00 0.27 -1.07 0.00 0.00 179.97 179.37 1r3u n ASN 168 N -4.04 0.97 -4.74 7.04 6.94 -1.26 -1.68 115.26 118.49 1r3u n ASN 168 Ca -0.02 -1.62 -0.41 0.00 -0.02 0.00 0.00 54.58 52.51 1r3u n ASN 168 Cb 0.28 -0.07 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 1r3u n ASN 168 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1r3u s LEU 169 N -1.52 4.47 0.00 -4.53 1.43 -1.17 -4.87 118.68 112.48 1r3u s LEU 169 Ca 0.29 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 1r3u s LEU 169 Cb 0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1r3u s LEU 169 CO 0.23 -0.31 0.88 -0.81 0.23 0.00 0.00 176.35 176.57 1r3u n PRO 170 N 2.39 0.96 -4.01 1.29 -0.04 -1.26 -0.94 135.00 133.39 1r3u n PRO 170 Ca 0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.40 1r3u n PRO 170 Cb 0.45 -1.08 -0.08 0.00 -0.04 0.00 0.00 33.50 32.75 1r3u n PRO 170 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1r3u s PHE 171 N -1.83 0.49 -0.26 0.54 -0.12 -1.26 -3.57 117.98 111.97 1r3u s PHE 171 Ca 0.00 -0.90 -0.13 0.00 -0.05 0.00 0.00 56.93 55.85 1r3u s PHE 171 Cb 0.00 -0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 1r3u s PHE 171 CO 0.00 -0.58 0.29 0.42 -0.05 0.00 0.00 175.22 175.30 1r3u s ILE 172 N -3.96 5.24 0.22 -4.49 -1.09 -0.62 -3.99 121.20 112.50 1r3u s ILE 172 Ca 0.15 0.42 0.03 0.00 -2.23 0.00 0.00 60.65 59.02 1r3u s ILE 172 Cb 0.05 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1r3u s ILE 172 CO -0.03 0.22 -0.00 -0.83 -1.23 0.00 0.00 174.94 173.07 1r3u s GLY 173 N 1.50 1.48 -0.19 6.18 0.00 -0.67 -0.63 107.32 114.99 1r3u s GLY 173 Ca 0.12 -1.72 -0.13 0.00 0.00 0.00 0.00 44.72 42.98 1r3u s GLY 173 CO 0.09 -1.64 0.28 0.14 0.00 0.00 0.00 173.10 171.98 1r3u s VAL 174 N -3.47 5.29 0.33 1.40 1.01 -0.16 -0.83 120.40 123.97 1r3u s VAL 174 Ca 0.27 0.49 -0.28 0.00 0.00 0.00 0.00 61.98 62.47 1r3u s VAL 174 Cb 0.06 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1r3u s VAL 174 CO 0.08 0.34 1.12 -0.22 0.00 0.00 0.00 175.10 176.42 1r3u s LEU 175 N 0.85 4.40 -0.07 3.92 2.96 -0.27 0.04 118.68 130.52 1r3u s LEU 175 Ca 0.15 2.29 -0.30 0.00 -0.22 0.00 0.00 54.13 56.04 1r3u s LEU 175 Cb -0.13 -3.80 -0.04 0.00 0.50 0.00 0.00 46.19 42.72 1r3u s LEU 175 CO 0.05 -0.34 1.36 -0.54 -1.32 0.00 0.00 176.35 175.56 1r3u s LYS 176 N -1.82 4.26 0.62 1.98 1.02 -0.74 -4.63 119.74 120.44 1r3u s LYS 176 Ca 0.49 1.86 0.20 0.00 0.02 0.00 0.00 55.97 58.54 1r3u s LYS 176 Cb -0.31 -3.69 0.79 0.00 -0.52 0.00 0.00 37.83 34.10 1r3u s LYS 176 CO 0.39 -0.63 1.34 -1.35 -0.92 0.00 0.00 175.35 174.18 1r3u h PRO 177 N 8.14 0.00 -0.46 -1.68 0.11 -1.92 -1.92 132.00 134.26 1r3u h PRO 177 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1r3u h PRO 177 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1r3u h PRO 177 CO 0.93 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.11 1r3u n GLU 178 N -3.08 0.61 -0.53 1.05 4.71 -1.26 -2.60 120.64 119.53 1r3u n GLU 178 Ca 0.14 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.33 1r3u n GLU 178 Cb 1.21 -1.23 0.07 0.00 -1.01 0.00 0.00 31.44 30.47 1r3u n GLU 178 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1r3u n LEU 179 N 0.03 1.12 0.00 -4.62 4.77 -0.72 -5.27 117.00 112.30 1r3u n LEU 179 Ca 0.00 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1r3u n LEU 179 Cb 0.12 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1r3u n LEU 179 CO 0.00 0.54 0.00 0.00 -1.33 0.00 0.00 177.39 176.60