#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2w s SER 3 N 0.00 5.76 0.18 7.72 1.04 -1.26 -4.84 113.70 122.30 1l2w s SER 3 Ca 0.00 -0.33 -0.13 0.00 0.48 0.00 0.00 55.95 55.98 1l2w s SER 3 Cb 0.00 -0.95 0.17 0.00 0.10 0.00 0.00 66.02 65.33 1l2w s SER 3 CO 0.00 -0.57 1.75 0.15 0.98 0.00 0.00 173.24 175.55 1l2w h PHE 4 N 0.82 0.34 -0.55 5.02 3.57 -1.99 -2.13 116.94 122.02 1l2w h PHE 4 Ca -0.43 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.13 1l2w h PHE 4 Cb 1.27 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 1l2w h PHE 4 CO 0.43 0.12 0.30 0.93 -2.23 0.00 0.00 178.31 177.86 1l2w h GLU 5 N 0.38 0.56 -0.49 1.11 3.07 -1.94 -1.23 114.58 116.04 1l2w h GLU 5 Ca 0.24 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.94 1l2w h GLU 5 Cb 0.24 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1l2w h GLU 5 CO -0.23 0.37 -0.19 1.96 -1.40 0.00 0.00 179.01 179.52 1l2w h GLN 6 N 0.58 0.98 -0.10 2.33 4.20 -1.88 -1.57 115.11 119.65 1l2w h GLN 6 Ca 0.24 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1l2w h GLN 6 Cb 0.11 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1l2w h GLN 6 CO -0.14 1.07 0.04 0.00 -0.67 0.00 0.00 178.83 179.13 1l2w h ALA 7 N 0.92 0.13 -0.59 3.87 0.00 -1.11 -1.37 119.26 121.11 1l2w h ALA 7 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1l2w h ALA 7 Cb 0.76 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1l2w h ALA 7 CO 0.06 -0.30 0.37 0.82 0.00 0.00 0.00 179.25 180.20 1l2w h ILE 8 N 0.02 1.16 -0.57 0.00 1.08 -1.20 -0.84 117.51 117.16 1l2w h ILE 8 Ca 0.03 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1l2w h ILE 8 Cb 0.14 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.19 1l2w h ILE 8 CO -0.00 0.16 0.38 0.74 -0.69 0.00 0.00 178.15 178.73 1l2w h THR 9 N 0.79 1.15 -0.67 -0.27 2.02 -1.12 -0.36 112.91 114.45 1l2w h THR 9 Ca 0.21 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1l2w h THR 9 Cb -0.06 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1l2w h THR 9 CO -0.04 0.14 0.18 -0.61 0.37 0.00 0.00 175.52 175.56 1l2w h GLN 10 N 0.77 1.07 -0.10 6.66 4.15 -0.94 -2.22 115.11 124.50 1l2w h GLN 10 Ca 0.21 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1l2w h GLN 10 Cb -0.08 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 1l2w h GLN 10 CO -0.04 0.95 0.06 1.25 -1.93 0.00 0.00 178.83 179.11 1l2w h LEU 11 N 1.00 0.11 -1.16 -2.39 5.85 -0.58 -1.25 115.31 116.88 1l2w h LEU 11 Ca 0.21 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.98 1l2w h LEU 11 Cb 0.34 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1l2w h LEU 11 CO -0.00 0.08 0.58 -0.26 -0.34 0.00 0.00 178.44 178.49 1l2w h PHE 12 N 0.13 1.04 -0.28 1.25 -1.00 -0.96 -1.01 116.94 116.12 1l2w h PHE 12 Ca 0.04 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.73 1l2w h PHE 12 Cb -0.01 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.19 1l2w h PHE 12 CO -0.07 0.59 -0.28 1.96 -1.61 0.00 0.00 178.31 178.89 1l2w h GLN 13 N 1.06 0.56 0.00 1.51 4.20 -0.95 0.36 115.11 121.85 1l2w h GLN 13 Ca 0.36 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 1l2w h GLN 13 Cb 0.09 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1l2w h GLN 13 CO -0.12 0.78 -0.50 1.96 -0.67 0.00 0.00 178.83 180.29 1l2w h GLN 14 N 0.49 0.00 -0.13 1.46 4.20 -0.38 -2.55 115.11 118.20 1l2w h GLN 14 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1l2w h GLN 14 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1l2w h GLN 14 CO 0.06 0.50 0.00 1.28 -0.67 0.00 0.00 178.83 179.99 1l2w n LEU 15 N -3.86 1.81 -3.43 1.46 4.77 -0.47 -4.94 117.00 112.34 1l2w n LEU 15 Ca -0.01 -0.71 -0.23 0.00 -0.03 0.00 0.00 56.01 55.02 1l2w n LEU 15 Cb 0.53 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1l2w n LEU 15 CO 0.40 0.36 0.20 -1.20 -1.33 0.00 0.00 177.39 175.82 1l2w n SER 16 N 0.41 -6.28 -4.82 -1.43 7.64 -0.46 -5.00 113.62 103.69 1l2w n SER 16 Ca 0.17 -0.48 -0.33 0.00 1.01 0.00 0.00 58.87 59.24 1l2w n SER 16 Cb 0.37 -4.94 -0.06 0.00 -1.01 0.00 0.00 64.21 58.57 1l2w n SER 16 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1l2w s LEU 17 N -7.08 4.03 0.25 -3.43 1.43 0.11 -5.02 118.68 108.98 1l2w s LEU 17 Ca 0.53 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 1l2w s LEU 17 Cb -0.23 -2.37 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 1l2w s LEU 17 CO 0.65 0.27 1.50 -0.94 0.23 0.00 0.00 176.35 178.06 1l2w s SER 18 N -1.81 6.56 -0.18 2.29 1.04 -1.26 -4.44 113.70 115.90 1l2w s SER 18 Ca 0.24 2.74 -0.28 0.00 0.48 0.00 0.00 55.95 59.14 1l2w s SER 18 Cb -0.12 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.37 1l2w s SER 18 CO 0.15 -0.78 0.96 -0.63 0.98 0.00 0.00 173.24 173.92 1l2w s ILE 19 N 0.15 4.77 0.45 -1.02 1.01 -1.26 -5.01 121.20 120.29 1l2w s ILE 19 Ca 0.62 1.89 -0.25 0.00 0.00 0.00 0.00 60.65 62.91 1l2w s ILE 19 Cb -0.44 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 37.69 1l2w s ILE 19 CO 0.43 -0.07 1.27 -2.65 0.00 0.00 0.00 174.94 173.92 1l2w n PRO 20 N 5.66 1.87 -0.16 2.79 -0.02 -1.26 -4.89 135.00 138.99 1l2w n PRO 20 Ca 0.09 0.67 -0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1l2w n PRO 20 Cb 0.48 -2.41 0.24 0.00 -0.02 0.00 0.00 33.50 31.79 1l2w n PRO 20 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1l2w h ASP 21 N 1.95 0.79 -3.36 2.55 1.82 -2.06 -3.40 116.42 114.71 1l2w h ASP 21 Ca -0.48 -0.06 -0.48 0.00 -0.39 0.00 0.00 57.03 55.61 1l2w h ASP 21 Cb 1.30 -0.20 -0.35 0.00 0.68 0.00 0.00 39.33 40.76 1l2w h ASP 21 CO 0.59 0.64 -0.80 -0.89 -1.61 0.00 0.00 179.24 177.18 1l2w s THR 22 N -5.57 0.90 -0.60 2.25 2.01 -1.26 -5.10 115.64 108.26 1l2w s THR 22 Ca -0.10 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 1l2w s THR 22 Cb 0.17 -0.88 0.06 0.00 0.01 0.00 0.00 72.50 71.86 1l2w s THR 22 CO 0.78 0.32 0.90 -0.63 -0.69 0.00 0.00 174.62 175.30 1l2w s ILE 23 N 1.07 4.44 0.86 1.82 1.01 -1.26 -5.04 121.20 124.10 1l2w s ILE 23 Ca -0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 1l2w s ILE 23 Cb -0.14 -4.58 0.11 0.00 0.01 0.00 0.00 42.46 37.85 1l2w s ILE 23 CO -0.01 -1.26 1.10 -1.61 0.00 0.00 0.00 174.94 173.17 1l2w s GLU 24 N 3.78 1.50 0.60 2.79 0.41 -1.26 -4.92 118.70 121.60 1l2w s GLU 24 Ca 0.23 1.17 0.37 0.00 -0.41 0.00 0.00 54.97 56.33 1l2w s GLU 24 Cb -0.16 -1.81 1.87 0.00 -1.78 0.00 0.00 34.13 32.25 1l2w s GLU 24 CO 0.13 -2.17 2.19 -1.00 -0.49 0.00 0.00 175.26 173.91 1l2w h PRO 25 N -1.52 0.00 -4.18 0.39 0.13 -1.96 -3.38 132.00 121.48 1l2w h PRO 25 Ca -0.46 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 1l2w h PRO 25 Cb 1.26 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.01 1l2w h PRO 25 CO 0.49 0.03 -0.79 0.08 -0.23 0.00 0.00 178.00 177.58 1l2w s VAL 26 N -4.03 1.19 -0.05 1.56 1.01 -1.26 -4.21 120.40 114.61 1l2w s VAL 26 Ca -0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1l2w s VAL 26 Cb 0.12 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1l2w s VAL 26 CO 0.49 0.06 0.16 -0.63 0.00 0.00 0.00 175.10 175.19 1l2w s ILE 27 N 1.59 5.45 -0.11 2.22 -1.09 0.43 -4.93 121.20 124.75 1l2w s ILE 27 Ca -0.01 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.42 1l2w s ILE 27 Cb -0.16 -3.48 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1l2w s ILE 27 CO -0.07 0.44 -0.21 -0.83 -1.23 0.00 0.00 174.94 173.04 1l2w s GLY 28 N -1.57 1.23 -0.00 6.18 0.00 -1.26 -0.12 107.32 111.77 1l2w s GLY 28 Ca 0.22 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 44.10 1l2w s GLY 28 CO 0.13 -0.13 -0.16 0.14 0.00 0.00 0.00 173.10 173.08 1l2w s VAL 29 N 0.57 1.25 -0.30 1.40 1.01 0.77 -4.98 120.40 120.13 1l2w s VAL 29 Ca -0.14 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1l2w s VAL 29 Cb -0.17 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1l2w s VAL 29 CO 0.04 0.31 0.08 -0.75 0.00 0.00 0.00 175.10 174.78 1l2w s LYS 30 N -0.49 3.04 -0.31 2.72 2.47 -1.26 0.75 119.74 126.66 1l2w s LYS 30 Ca 0.06 -0.89 -0.01 0.00 -1.56 0.00 0.00 55.97 53.57 1l2w s LYS 30 Cb -0.06 -3.36 0.06 0.00 -1.46 0.00 0.00 37.83 33.00 1l2w s LYS 30 CO -0.00 -0.46 0.02 0.08 0.16 0.00 0.00 175.35 175.14 1l2w s VAL 31 N 1.48 2.93 0.00 4.02 1.01 -0.04 -4.99 120.40 124.81 1l2w s VAL 31 Ca 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1l2w s VAL 31 Cb -0.17 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1l2w s VAL 31 CO 0.02 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1l2w n GLY 32 N 4.59 3.81 0.16 4.51 0.00 -1.26 -1.30 105.19 115.69 1l2w n GLY 32 Ca -0.11 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1l2w n GLY 32 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1l2w n GLU 33 N 13.79 0.51 -3.71 1.61 0.28 -1.26 -4.88 120.64 126.98 1l2w n GLU 33 Ca 0.00 -0.32 -0.36 0.00 -0.16 0.00 0.00 57.16 56.32 1l2w n GLU 33 Cb 0.00 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.28 1l2w n GLU 33 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1l2w s PHE 34 N -2.71 3.29 -0.37 -1.84 0.40 -0.42 -5.05 117.98 111.29 1l2w s PHE 34 Ca 0.18 0.16 -0.20 0.00 -0.60 0.00 0.00 56.93 56.48 1l2w s PHE 34 Cb 0.18 -2.24 0.01 0.00 0.51 0.00 0.00 43.02 41.48 1l2w s PHE 34 CO 0.60 0.05 0.60 0.00 0.70 0.00 0.00 175.22 177.18 1l2w s ALA 35 N 1.00 3.44 0.08 5.36 0.00 -1.26 -0.86 121.76 129.51 1l2w s ALA 35 Ca 0.07 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1l2w s ALA 35 Cb -0.13 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1l2w s ALA 35 CO 0.04 -1.41 0.10 0.00 0.00 0.00 0.00 175.76 174.49 1l2w s HIS 37 N -1.42 1.67 -0.03 0.00 3.76 -0.20 -0.16 115.29 118.90 1l2w s HIS 37 Ca 0.30 -0.45 0.07 0.00 -0.15 0.00 0.00 55.06 54.84 1l2w s HIS 37 Cb -0.12 -1.12 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 1l2w s HIS 37 CO 0.23 -0.14 -0.25 0.42 -0.85 0.00 0.00 174.74 174.15 1l2w s ILE 38 N -0.05 2.02 0.20 0.60 1.01 0.84 -1.10 121.20 124.71 1l2w s ILE 38 Ca -0.02 -1.07 -0.23 0.00 0.00 0.00 0.00 60.65 59.33 1l2w s ILE 38 Cb -0.10 -1.69 0.05 0.00 0.01 0.00 0.00 42.46 40.73 1l2w s ILE 38 CO 0.02 0.57 0.74 0.28 0.00 0.00 0.00 174.94 176.54 1l2w s THR 39 N -0.42 0.00 -0.47 2.92 -1.32 -0.25 -0.43 115.64 115.67 1l2w s THR 39 Ca 0.04 -0.55 -0.14 0.00 -1.21 0.00 0.00 61.69 59.83 1l2w s THR 39 Cb -0.11 -1.60 0.08 0.00 -1.51 0.00 0.00 72.50 69.35 1l2w s THR 39 CO 0.01 0.00 0.38 -0.70 -2.21 0.00 0.00 174.62 172.09 1l2w s GLU 40 N -3.69 2.92 -0.30 7.08 2.12 -1.26 -0.49 118.70 125.08 1l2w s GLU 40 Ca 0.08 -1.38 -0.08 0.00 0.36 0.00 0.00 54.97 53.95 1l2w s GLU 40 Cb -0.03 -4.08 0.15 0.00 0.26 0.00 0.00 34.13 30.43 1l2w s GLU 40 CO -0.01 -1.02 0.66 -1.58 -0.54 0.00 0.00 175.26 172.76 1l2w s HIS 41 N 1.60 -1.38 0.35 5.30 2.46 -0.72 -4.52 115.29 118.39 1l2w s HIS 41 Ca 0.04 2.04 -0.06 0.00 0.47 0.00 0.00 55.06 57.55 1l2w s HIS 41 Cb -0.24 0.70 0.08 0.00 -0.13 0.00 0.00 32.58 32.99 1l2w s HIS 41 CO 0.06 -0.71 0.38 -0.35 -2.47 0.00 0.00 174.74 171.65 1l2w n PRO 42 N 5.42 -1.07 -1.71 2.88 -0.04 -1.26 -4.53 135.00 134.68 1l2w n PRO 42 Ca -0.08 -0.59 -0.43 0.00 -0.04 0.00 0.00 63.50 62.36 1l2w n PRO 42 Cb 0.50 -0.47 -0.03 0.00 -0.04 0.00 0.00 33.50 33.46 1l2w n PRO 42 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1l2w n VAL 43 N -2.92 0.07 -0.37 0.52 0.31 -1.26 -1.72 118.33 112.96 1l2w n VAL 43 Ca 0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1l2w n VAL 43 Cb 0.18 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1l2w n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l2w n GLY 44 N 3.77 0.70 3.07 2.92 0.00 -1.26 -5.05 105.19 109.34 1l2w n GLY 44 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1l2w n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1l2w s GLN 45 N -0.63 1.84 -0.41 1.61 -1.52 -0.70 -0.25 119.66 119.60 1l2w s GLN 45 Ca 0.00 -0.50 -0.18 0.00 -1.95 0.00 0.00 55.36 52.73 1l2w s GLN 45 Cb 0.00 -1.51 0.02 0.00 -0.22 0.00 0.00 33.01 31.29 1l2w s GLN 45 CO 0.00 0.09 0.49 0.42 -0.25 0.00 0.00 175.29 176.05 1l2w s ILE 46 N 0.48 5.02 -0.15 1.08 -1.09 0.57 -1.75 121.20 125.36 1l2w s ILE 46 Ca -0.12 -0.12 -0.07 0.00 -2.23 0.00 0.00 60.65 58.10 1l2w s ILE 46 Cb -0.15 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1l2w s ILE 46 CO 0.04 -0.42 0.10 -0.22 -1.23 0.00 0.00 174.94 173.20 1l2w s LEU 47 N 2.34 4.09 -0.01 2.97 2.96 0.35 -2.22 118.68 129.16 1l2w s LEU 47 Ca 0.16 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1l2w s LEU 47 Cb -0.16 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1l2w s LEU 47 CO 0.15 0.29 -0.14 -0.04 -1.32 0.00 0.00 176.35 175.29 1l2w s MET 48 N -0.35 1.17 0.14 1.98 -1.94 -0.71 -1.09 119.30 118.51 1l2w s MET 48 Ca 0.10 -0.51 -0.16 0.00 -1.71 0.00 0.00 55.69 53.41 1l2w s MET 48 Cb -0.12 -1.13 0.03 0.00 2.01 0.00 0.00 34.83 35.62 1l2w s MET 48 CO 0.01 0.31 0.41 -0.59 -0.01 0.00 0.00 175.02 175.16 1l2w s PHE 49 N -0.33 -0.16 0.15 -0.03 -0.12 -0.26 -1.52 117.98 115.72 1l2w s PHE 49 Ca 0.05 -0.17 -0.16 0.00 -0.05 0.00 0.00 56.93 56.60 1l2w s PHE 49 Cb -0.06 0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.63 1l2w s PHE 49 CO -0.01 -0.74 0.45 -0.08 -0.05 0.00 0.00 175.22 174.79 1l2w s THR 50 N -3.82 0.05 -0.48 -4.49 -1.32 -0.08 -1.04 115.64 104.46 1l2w s THR 50 Ca 0.05 -0.67 -0.11 0.00 -1.21 0.00 0.00 61.69 59.75 1l2w s THR 50 Cb 0.01 -1.35 0.12 0.00 -1.51 0.00 0.00 72.50 69.77 1l2w s THR 50 CO -0.10 -0.23 0.37 -0.76 -2.21 0.00 0.00 174.62 171.69 1l2w s LEU 51 N -2.84 5.74 0.94 9.08 1.02 -1.26 -1.12 118.68 130.24 1l2w s LEU 51 Ca 0.06 -1.83 -0.15 0.00 0.02 0.00 0.00 54.13 52.23 1l2w s LEU 51 Cb 0.01 -2.05 0.19 0.00 0.02 0.00 0.00 46.19 44.36 1l2w s LEU 51 CO -0.08 -0.71 1.30 -2.16 0.02 0.00 0.00 176.35 174.72 1l2w s PRO 52 N 1.42 0.72 -0.32 1.29 0.04 -1.26 -4.96 135.00 131.93 1l2w s PRO 52 Ca 0.05 -0.48 -0.04 0.00 0.04 0.00 0.00 61.00 60.56 1l2w s PRO 52 Cb -0.27 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.43 1l2w s PRO 52 CO 0.00 -2.34 0.05 -1.12 0.04 0.00 0.00 177.00 173.64 1l2w s SER 53 N -4.88 5.11 0.55 6.66 0.01 -1.26 -4.79 113.70 115.10 1l2w s SER 53 Ca 0.73 -1.20 -0.08 0.00 1.31 0.00 0.00 55.95 56.71 1l2w s SER 53 Cb -0.04 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 1l2w s SER 53 CO 0.52 -0.29 0.91 -0.76 0.41 0.00 0.00 173.24 174.03 1l2w s LEU 54 N 1.33 3.42 -0.18 2.44 1.43 -1.26 -4.63 118.68 121.23 1l2w s LEU 54 Ca -0.03 1.17 -0.08 0.00 -1.03 0.00 0.00 54.13 54.15 1l2w s LEU 54 Cb -0.20 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1l2w s LEU 54 CO 0.01 -0.74 0.08 -0.62 0.23 0.00 0.00 176.35 175.31 1l2w s ASP 55 N -4.15 5.77 0.15 2.29 -1.08 -1.26 -5.01 116.67 113.38 1l2w s ASP 55 Ca 0.51 0.12 -0.17 0.00 -0.52 0.00 0.00 52.55 52.50 1l2w s ASP 55 Cb -0.11 -1.99 0.03 0.00 -1.46 0.00 0.00 42.92 39.40 1l2w s ASP 55 CO 0.49 0.18 1.76 0.78 0.52 0.00 0.00 175.17 178.91 1l2w h ASN 56 N 6.65 0.19 -1.13 -0.34 2.35 -2.01 -2.30 115.58 119.00 1l2w h ASN 56 Ca -0.38 0.03 0.33 0.00 -0.55 0.00 0.00 56.30 55.72 1l2w h ASN 56 Cb 1.16 -0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.42 1l2w h ASN 56 CO 0.72 0.14 0.72 0.78 -1.65 0.00 0.00 177.43 178.14 1l2w h ASN 57 N 0.30 0.39 -2.63 5.81 -0.26 -2.06 -3.39 115.58 113.73 1l2w h ASN 57 Ca 0.15 0.11 -0.53 0.00 -0.56 0.00 0.00 56.30 55.46 1l2w h ASN 57 Cb 0.09 0.06 0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1l2w h ASN 57 CO -0.13 -0.02 1.04 -1.81 -1.06 0.00 0.00 177.43 175.45 1l2w s ASP 58 N -4.98 6.55 0.72 5.81 1.01 -0.87 -5.00 116.67 119.92 1l2w s ASP 58 Ca -0.08 2.55 -0.03 0.00 0.71 0.00 0.00 52.55 55.70 1l2w s ASP 58 Cb 0.27 -2.56 0.11 0.00 1.01 0.00 0.00 42.92 41.75 1l2w s ASP 58 CO 0.80 -0.92 0.99 -1.61 0.21 0.00 0.00 175.17 174.64 1l2w s GLU 59 N 2.80 1.79 0.24 8.23 2.02 -1.26 -4.84 118.70 127.67 1l2w s GLU 59 Ca 0.76 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.84 1l2w s GLU 59 Cb -0.41 -2.28 0.40 0.00 0.10 0.00 0.00 34.13 31.94 1l2w s GLU 59 CO 0.34 -1.40 1.79 1.57 0.02 0.00 0.00 175.26 177.58 1l2w h LYS 60 N -0.55 0.68 -0.31 1.61 2.10 -1.96 -1.01 116.57 117.12 1l2w h LYS 60 Ca -0.39 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1l2w h LYS 60 Cb 1.28 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1l2w h LYS 60 CO 0.45 0.45 0.19 0.93 -2.00 0.00 0.00 179.45 179.46 1l2w h GLU 61 N 0.70 0.42 -0.53 0.07 3.07 -1.98 -0.13 114.58 116.20 1l2w h GLU 61 Ca 0.39 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.15 1l2w h GLU 61 Cb 0.42 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1l2w h GLU 61 CO -0.28 0.32 0.07 1.15 -1.40 0.00 0.00 179.01 178.87 1l2w h THR 62 N 0.40 1.24 -0.27 1.13 2.02 -1.79 -1.41 112.91 114.22 1l2w h THR 62 Ca 0.11 -0.93 -0.15 0.00 0.77 0.00 0.00 66.41 66.22 1l2w h THR 62 Cb 0.01 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1l2w h THR 62 CO -0.02 0.34 -0.40 -0.07 0.37 0.00 0.00 175.52 175.73 1l2w h LEU 63 N 0.80 0.83 -1.38 2.58 3.38 -0.92 -3.08 115.31 117.52 1l2w h LEU 63 Ca 0.16 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1l2w h LEU 63 Cb 0.38 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1l2w h LEU 63 CO 0.01 1.18 -0.03 -0.07 0.09 0.00 0.00 178.44 179.61 1l2w h LEU 64 N 0.50 0.00 -1.92 1.67 3.38 -0.86 -2.96 115.31 115.11 1l2w h LEU 64 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1l2w h LEU 64 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1l2w h LEU 64 CO 0.09 0.03 -0.07 0.28 0.09 0.00 0.00 178.44 178.86 1l2w h SER 65 N 0.00 0.00 1.10 -0.43 0.02 -1.16 -2.18 113.55 110.90 1l2w h SER 65 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1l2w h SER 65 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1l2w h SER 65 CO 0.00 0.07 0.00 0.45 -1.14 0.00 0.00 176.83 176.22 1l2w h HIS 66 N 0.00 0.00 -0.02 3.45 3.86 -1.64 -3.19 115.15 117.61 1l2w h HIS 66 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1l2w h HIS 66 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1l2w h HIS 66 CO 0.00 0.00 -0.03 0.09 0.86 0.00 0.00 177.93 178.85 1l2w n ASN 67 N -2.75 1.84 -4.77 2.45 5.03 -0.82 -4.80 115.26 111.44 1l2w n ASN 67 Ca 0.02 -1.57 -0.40 0.00 0.87 0.00 0.00 54.58 53.49 1l2w n ASN 67 Cb 0.32 0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 39.10 1l2w n ASN 67 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1l2w s ILE 68 N -2.05 2.59 0.79 2.41 1.10 -1.21 -4.97 121.20 119.85 1l2w s ILE 68 Ca 0.34 0.56 -0.10 0.00 -0.51 0.00 0.00 60.65 60.94 1l2w s ILE 68 Cb 0.21 -3.35 0.07 0.00 0.15 0.00 0.00 42.46 39.54 1l2w s ILE 68 CO 0.35 0.11 1.10 0.72 -2.11 0.00 0.00 174.94 175.11 1l2w s PHE 69 N -1.19 2.44 0.00 3.50 -0.12 -1.26 -5.06 117.98 116.29 1l2w s PHE 69 Ca 0.53 1.59 0.00 0.00 -0.05 0.00 0.00 56.93 59.00 1l2w s PHE 69 Cb -0.40 -3.09 0.00 0.00 -0.63 0.00 0.00 43.02 38.90 1l2w s PHE 69 CO 0.53 -1.94 0.00 -1.13 -0.05 0.00 0.00 175.22 172.63 1l2w n SER 70 N -3.61 0.00 -0.03 1.98 3.41 -1.26 -5.03 113.62 109.08 1l2w n SER 70 Ca 0.09 -0.56 0.14 0.00 -0.26 0.00 0.00 58.87 58.28 1l2w n SER 70 Cb 0.53 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 65.01 1l2w n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1l2w n GLN 71 N 0.00 0.20 -3.52 4.33 0.00 -1.26 -4.69 117.38 112.44 1l2w n GLN 71 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 57.00 56.52 1l2w n GLN 71 Cb 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.65 1l2w n GLN 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1l2w s ASP 72 N -2.84 5.86 0.00 2.61 -1.08 -1.26 -4.96 116.67 115.01 1l2w s ASP 72 Ca 0.18 -1.26 0.12 0.00 -0.52 0.00 0.00 52.55 51.08 1l2w s ASP 72 Cb 0.19 -2.07 0.59 0.00 -1.46 0.00 0.00 42.92 40.16 1l2w s ASP 72 CO 0.56 -0.52 1.34 2.30 0.52 0.00 0.00 175.17 179.37 1l2w n ILE 73 N 5.05 0.87 1.21 4.11 -5.35 -1.26 -2.03 119.36 121.96 1l2w n ILE 73 Ca -0.11 0.22 0.13 0.00 -0.27 0.00 0.00 62.75 62.71 1l2w n ILE 73 Cb 0.44 -1.01 0.37 0.00 -1.74 0.00 0.00 39.64 37.70 1l2w n ILE 73 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1l2w n LEU 74 N -1.37 2.05 -4.70 7.28 4.77 -1.26 -4.75 117.00 119.02 1l2w n LEU 74 Ca 0.05 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.85 1l2w n LEU 74 Cb 0.12 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1l2w n LEU 74 CO 0.10 0.38 1.35 -0.75 -1.33 0.00 0.00 177.39 177.14 1l2w s LYS 75 N -1.90 4.18 0.79 3.23 2.20 -0.86 -4.65 119.74 122.73 1l2w s LYS 75 Ca 0.35 2.42 -0.11 0.00 -0.36 0.00 0.00 55.97 58.26 1l2w s LYS 75 Cb 0.20 -3.47 0.07 0.00 -1.51 0.00 0.00 37.83 33.12 1l2w s LYS 75 CO 0.31 -0.74 1.12 -1.25 -0.36 0.00 0.00 175.35 174.43 1l2w s PRO 76 N 2.25 2.02 -0.16 4.03 0.04 -1.26 -4.88 135.00 137.04 1l2w s PRO 76 Ca 0.75 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 1l2w s PRO 76 Cb -0.43 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1l2w s PRO 76 CO 0.33 -1.85 -0.08 0.42 0.04 0.00 0.00 177.00 175.86 1l2w s ILE 77 N -2.68 3.42 -0.11 0.56 -1.09 0.20 -4.76 121.20 116.75 1l2w s ILE 77 Ca 0.64 -0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 58.34 1l2w s ILE 77 Cb -0.20 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.16 1l2w s ILE 77 CO 0.53 0.49 0.58 -0.22 -1.23 0.00 0.00 174.94 175.09 1l2w s LEU 78 N 0.56 4.28 0.00 2.97 2.96 -1.26 -1.41 118.68 126.78 1l2w s LEU 78 Ca -0.05 0.95 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 1l2w s LEU 78 Cb -0.15 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1l2w s LEU 78 CO 0.03 -0.07 0.20 -1.54 -1.32 0.00 0.00 176.35 173.65 1l2w n SER 79 N 3.87 -0.51 -3.90 3.68 3.41 0.74 -4.96 113.62 115.94 1l2w n SER 79 Ca -0.04 -2.50 -0.16 0.00 -0.26 0.00 0.00 58.87 55.91 1l2w n SER 79 Cb 0.51 1.18 -0.15 0.00 -0.26 0.00 0.00 64.21 65.50 1l2w n SER 79 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1l2w s TRP 80 N -2.96 0.36 -0.70 7.33 -0.11 -1.26 0.00 118.94 121.60 1l2w s TRP 80 Ca 0.27 -0.06 -0.15 0.00 1.22 0.00 0.00 56.10 57.38 1l2w s TRP 80 Cb 0.01 -0.29 0.17 0.00 -1.50 0.00 0.00 33.47 31.86 1l2w s TRP 80 CO 0.19 -0.05 0.68 0.34 -4.62 0.00 0.00 176.95 173.49 1l2w s ASP 81 N 0.23 6.48 0.19 5.86 2.15 0.24 -4.86 116.67 126.96 1l2w s ASP 81 Ca -0.02 -2.19 -0.13 0.00 0.43 0.00 0.00 52.55 50.64 1l2w s ASP 81 Cb -0.05 -2.23 0.19 0.00 -0.30 0.00 0.00 42.92 40.52 1l2w s ASP 81 CO -0.00 -0.76 1.73 -0.08 -0.17 0.00 0.00 175.17 175.88 1l2w h GLU 82 N 8.39 0.27 -0.31 4.34 4.81 -1.96 0.45 114.58 130.57 1l2w h GLU 82 Ca -0.08 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1l2w h GLU 82 Cb 1.07 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1l2w h GLU 82 CO 0.91 0.18 0.15 0.28 -0.73 0.00 0.00 179.01 179.80 1l2w h VAL 83 N 0.28 0.98 -0.00 0.32 2.07 -1.96 -2.77 116.25 115.16 1l2w h VAL 83 Ca 0.25 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1l2w h VAL 83 Cb 0.31 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1l2w h VAL 83 CO -0.29 0.06 -0.35 0.61 0.02 0.00 0.00 177.57 177.61 1l2w n GLY 84 N -1.19 -1.09 2.86 2.17 0.00 -1.06 -4.96 105.19 101.91 1l2w n GLY 84 Ca -0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 1l2w n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l2w n GLY 85 N 1.44 -0.17 3.05 -0.02 0.00 0.15 -5.03 105.19 104.61 1l2w n GLY 85 Ca 0.08 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1l2w n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1l2w s HIS 86 N -3.13 0.79 0.42 1.61 3.76 -0.98 -4.97 115.29 112.79 1l2w s HIS 86 Ca 0.33 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 54.72 1l2w s HIS 86 Cb -0.15 -0.48 -0.11 0.00 1.11 0.00 0.00 32.58 32.96 1l2w s HIS 86 CO 0.41 -0.02 0.96 -1.25 -0.85 0.00 0.00 174.74 173.99 1l2w s PRO 87 N -0.91 4.22 -0.08 8.40 0.04 -1.26 0.80 135.00 146.20 1l2w s PRO 87 Ca -0.02 1.18 -0.00 0.00 0.04 0.00 0.00 61.00 62.19 1l2w s PRO 87 Cb -0.07 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1l2w s PRO 87 CO 0.00 -0.05 -0.04 0.08 0.04 0.00 0.00 177.00 177.04 1l2w s VAL 88 N -2.09 0.66 -0.22 -0.36 1.01 0.10 -4.24 120.40 115.26 1l2w s VAL 88 Ca 0.61 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 1l2w s VAL 88 Cb -0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1l2w s VAL 88 CO 0.15 0.30 0.09 -0.22 0.00 0.00 0.00 175.10 175.42 1l2w s LEU 89 N 1.64 3.77 0.10 3.92 2.96 -0.27 -0.19 118.68 130.60 1l2w s LEU 89 Ca 0.01 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 1l2w s LEU 89 Cb -0.13 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 1l2w s LEU 89 CO -0.05 0.08 0.21 -1.66 -1.32 0.00 0.00 176.35 173.61 1l2w s TRP 90 N 0.96 0.18 0.16 5.38 1.48 -0.50 -0.91 118.94 125.69 1l2w s TRP 90 Ca 0.05 -0.60 -0.03 0.00 -1.06 0.00 0.00 56.10 54.46 1l2w s TRP 90 Cb -0.14 -0.05 -0.03 0.00 -1.16 0.00 0.00 33.47 32.09 1l2w s TRP 90 CO 0.03 -0.57 0.13 0.54 -4.06 0.00 0.00 176.95 173.02 1l2w s ASN 91 N -2.88 0.20 -0.10 -2.66 2.20 -0.57 0.61 114.94 111.74 1l2w s ASN 91 Ca 0.07 -1.21 -0.28 0.00 -0.94 0.00 0.00 52.86 50.50 1l2w s ASN 91 Cb 0.05 0.35 0.07 0.00 -2.00 0.00 0.00 41.25 39.72 1l2w s ASN 91 CO -0.09 -0.81 0.65 -0.60 -2.94 0.00 0.00 177.10 173.31 1l2w s ARG 92 N -4.07 0.96 0.07 3.55 3.52 -1.26 -1.74 118.95 119.98 1l2w s ARG 92 Ca 0.28 0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 56.16 1l2w s ARG 92 Cb 0.06 0.45 0.02 0.00 -1.56 0.00 0.00 34.95 33.93 1l2w s ARG 92 CO 0.05 -0.26 0.30 1.14 -0.81 0.00 0.00 175.30 175.72 1l2w s GLN 93 N -0.78 0.87 0.21 5.12 -2.07 -0.94 -4.87 119.66 117.20 1l2w s GLN 93 Ca -0.08 -0.65 -0.30 0.00 -1.82 0.00 0.00 55.36 52.50 1l2w s GLN 93 Cb -0.02 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 32.18 1l2w s GLN 93 CO 0.07 -0.29 1.39 -2.14 -1.32 0.00 0.00 175.29 172.99 1l2w s PRO 94 N -3.12 4.32 0.32 9.60 0.02 -1.26 -0.32 135.00 144.56 1l2w s PRO 94 Ca -0.01 2.18 0.10 0.00 0.02 0.00 0.00 61.00 63.29 1l2w s PRO 94 Cb 0.01 -3.16 0.53 0.00 0.02 0.00 0.00 34.50 31.91 1l2w s PRO 94 CO -0.07 -0.36 1.73 1.25 -0.33 0.00 0.00 177.00 179.22 1l2w h LEU 95 N 5.43 0.08 0.00 -5.54 5.85 -0.96 -3.07 115.31 117.11 1l2w h LEU 95 Ca -0.45 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1l2w h LEU 95 Cb 1.21 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1l2w h LEU 95 CO 0.79 0.53 0.00 -0.46 -0.34 0.00 0.00 178.44 178.96 1l2w n ASN 96 N -4.00 0.00 -0.08 1.25 0.23 -1.26 -3.05 115.26 108.36 1l2w n ASN 96 Ca -0.02 0.09 0.04 0.00 -0.53 0.00 0.00 54.58 54.16 1l2w n ASN 96 Cb 0.49 -0.33 0.06 0.00 -2.08 0.00 0.00 39.78 37.92 1l2w n ASN 96 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1l2w n SER 97 N -1.33 2.22 -4.77 0.53 3.41 -1.16 -5.01 113.62 107.50 1l2w n SER 97 Ca 0.09 -2.41 -0.37 0.00 -0.26 0.00 0.00 58.87 55.92 1l2w n SER 97 Cb 0.19 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1l2w n SER 97 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1l2w s LEU 98 N -1.70 4.04 0.00 1.04 1.43 -1.17 -5.05 118.68 117.26 1l2w s LEU 98 Ca 0.13 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1l2w s LEU 98 Cb 0.11 -4.19 -0.00 0.00 0.03 0.00 0.00 46.19 42.15 1l2w s LEU 98 CO 0.02 -0.92 0.00 -0.90 0.23 0.00 0.00 176.35 174.78 1l2w n ASP 99 N -0.40 2.09 0.08 2.29 5.68 -1.26 -4.96 116.55 120.07 1l2w n ASP 99 Ca 0.07 -1.43 0.12 0.00 -0.50 0.00 0.00 54.79 53.05 1l2w n ASP 99 Cb 0.47 0.09 0.60 0.00 -1.14 0.00 0.00 41.12 41.15 1l2w n ASP 99 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1l2w h ASN 100 N 0.25 0.13 -0.09 -1.12 4.21 -2.03 -3.10 115.58 113.82 1l2w h ASN 100 Ca -0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.43 1l2w h ASN 100 Cb 0.25 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1l2w h ASN 100 CO 0.13 0.08 0.00 0.59 -1.29 0.00 0.00 177.43 176.94 1l2w n ASN 101 N -4.47 2.53 0.08 5.81 5.03 -1.26 -4.72 115.26 118.27 1l2w n ASN 101 Ca 0.04 -1.74 -0.12 0.00 0.87 0.00 0.00 54.58 53.64 1l2w n ASN 101 Cb 0.31 -0.05 -0.05 0.00 -1.02 0.00 0.00 39.78 38.97 1l2w n ASN 101 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1l2w h SER 102 N 3.24 -0.43 -0.10 6.41 0.02 -1.93 -2.02 113.55 118.74 1l2w h SER 102 Ca 0.00 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 1l2w h SER 102 Cb 0.72 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1l2w h SER 102 CO 0.00 -0.22 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.21 1l2w h LEU 103 N -0.29 0.49 -0.33 5.07 3.38 -1.84 -0.52 115.31 121.27 1l2w h LEU 103 Ca 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1l2w h LEU 103 Cb 0.32 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1l2w h LEU 103 CO -0.10 0.69 0.06 0.22 0.09 0.00 0.00 178.44 179.40 1l2w h TYR 104 N 0.45 0.57 -0.43 1.13 5.03 -1.85 -0.70 116.97 121.17 1l2w h TYR 104 Ca 0.07 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1l2w h TYR 104 Cb 0.58 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 1l2w h TYR 104 CO 0.02 0.60 0.24 1.15 -1.32 0.00 0.00 178.16 178.85 1l2w h THR 105 N 0.37 1.16 -0.82 1.81 2.02 -1.13 -0.99 112.91 115.32 1l2w h THR 105 Ca 0.10 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.91 1l2w h THR 105 Cb 0.33 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1l2w h THR 105 CO 0.00 0.16 0.54 -0.61 0.37 0.00 0.00 175.52 175.99 1l2w h GLN 106 N 0.56 1.05 -0.51 6.66 4.15 -0.90 -0.41 115.11 125.72 1l2w h GLN 106 Ca 0.15 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 1l2w h GLN 106 Cb 0.05 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1l2w h GLN 106 CO -0.03 0.69 -0.11 1.25 -1.93 0.00 0.00 178.83 178.71 1l2w h LEU 107 N 1.08 0.98 -0.45 -2.39 5.85 -0.81 -1.69 115.31 117.88 1l2w h LEU 107 Ca 0.31 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1l2w h LEU 107 Cb -0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 1l2w h LEU 107 CO -0.09 1.10 0.24 -0.08 -0.34 0.00 0.00 178.44 179.28 1l2w h GLU 108 N 0.83 0.63 -0.50 1.25 4.81 -0.74 -1.59 114.58 119.27 1l2w h GLU 108 Ca 0.13 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1l2w h GLU 108 Cb 0.67 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1l2w h GLU 108 CO 0.05 0.51 0.11 0.52 -0.73 0.00 0.00 179.01 179.46 1l2w h MET 109 N 0.58 0.76 0.10 1.92 2.86 -0.97 -0.81 114.93 119.37 1l2w h MET 109 Ca 0.16 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1l2w h MET 109 Cb 0.07 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1l2w h MET 109 CO -0.02 0.70 -0.05 1.25 1.06 0.00 0.00 176.91 179.85 1l2w h LEU 110 N 0.73 -0.11 -0.53 1.22 5.85 -0.88 -1.84 115.31 119.75 1l2w h LEU 110 Ca 0.16 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1l2w h LEU 110 Cb 0.29 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1l2w h LEU 110 CO 0.00 0.16 0.20 -0.37 -0.34 0.00 0.00 178.44 178.08 1l2w h VAL 111 N -0.38 1.22 -0.57 1.05 -1.51 -1.17 -1.04 116.25 113.85 1l2w h VAL 111 Ca -0.01 -0.71 0.03 0.00 -1.23 0.00 0.00 66.70 64.77 1l2w h VAL 111 Cb 0.32 0.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.14 1l2w h VAL 111 CO 0.02 0.27 0.37 1.56 -1.23 0.00 0.00 177.57 178.57 1l2w h GLN 112 N 0.72 0.65 -0.43 5.19 4.20 -1.15 0.42 115.11 124.71 1l2w h GLN 112 Ca 0.17 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 1l2w h GLN 112 Cb 0.22 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1l2w h GLN 112 CO -0.01 0.43 -0.20 0.78 -0.67 0.00 0.00 178.83 179.16 1l2w h GLY 113 N 0.67 0.91 0.94 3.46 0.00 -0.52 -1.98 103.07 106.54 1l2w h GLY 113 Ca 0.22 -0.77 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1l2w h GLY 113 CO -0.06 0.70 -0.06 0.00 0.00 0.00 0.00 176.54 177.12 1l2w h ALA 114 N 1.04 0.49 -0.63 3.60 0.00 0.09 -2.98 119.26 120.88 1l2w h ALA 114 Ca 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1l2w h ALA 114 Cb 0.72 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1l2w h ALA 114 CO 0.06 0.32 0.25 0.93 0.00 0.00 0.00 179.25 180.81 1l2w h GLU 115 N 0.48 0.92 -0.67 0.00 5.08 -0.86 -2.43 114.58 117.11 1l2w h GLU 115 Ca 0.10 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1l2w h GLU 115 Cb 0.55 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1l2w h GLU 115 CO 0.03 0.76 0.37 0.00 -1.00 0.00 0.00 179.01 179.16 1l2w h ARG 116 N 0.91 0.92 0.00 2.33 3.08 -1.24 -0.17 114.38 120.21 1l2w h ARG 116 Ca 0.21 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1l2w h ARG 116 Cb 0.18 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1l2w h ARG 116 CO -0.02 0.67 0.00 1.28 -1.07 0.00 0.00 179.97 180.83 1l2w n LEU 117 N -4.38 0.00 0.00 3.04 4.77 -0.92 -5.12 117.00 114.39 1l2w n LEU 117 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1l2w n LEU 117 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1l2w n LEU 117 CO 0.37 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 178.10