#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l2w n GLY 1 N 0.00 -0.74 0.34 -5.12 0.00 -1.26 -4.93 105.19 93.48 1l2w n GLY 1 Ca 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 46.02 44.56 1l2w n GLY 1 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1l2w h TYR 2 N 0.00 0.99 -0.53 1.61 3.20 -2.04 -1.75 116.97 118.45 1l2w h TYR 2 Ca 0.00 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1l2w h TYR 2 Cb 0.00 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 1l2w h TYR 2 CO 0.00 0.69 0.34 0.77 -1.64 0.00 0.00 178.16 178.31 1l2w h SER 3 N 1.02 0.57 -0.30 -2.11 0.02 -1.99 0.83 113.55 111.59 1l2w h SER 3 Ca 0.26 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1l2w h SER 3 Cb 0.02 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1l2w h SER 3 CO -0.04 0.41 0.07 0.15 -1.14 0.00 0.00 176.83 176.28 1l2w h PHE 4 N 0.68 0.50 -0.38 3.45 3.57 -1.84 -1.19 116.94 121.72 1l2w h PHE 4 Ca 0.20 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1l2w h PHE 4 Cb -0.04 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 1l2w h PHE 4 CO -0.05 0.54 0.03 0.93 -2.23 0.00 0.00 178.31 177.53 1l2w h GLU 5 N 0.31 0.14 -0.45 1.11 5.08 -0.81 0.60 114.58 120.56 1l2w h GLU 5 Ca 0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1l2w h GLU 5 Cb 0.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1l2w h GLU 5 CO 0.00 0.09 0.15 1.96 -1.00 0.00 0.00 179.01 180.21 1l2w h GLN 6 N 0.15 0.70 -0.53 2.33 1.08 -0.73 -0.71 115.11 117.40 1l2w h GLN 6 Ca 0.19 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1l2w h GLN 6 Cb 0.25 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1l2w h GLN 6 CO -0.28 0.67 0.28 0.00 -0.95 0.00 0.00 178.83 178.54 1l2w h ALA 7 N 1.00 0.67 -0.29 3.87 0.00 -0.76 -0.41 119.26 123.34 1l2w h ALA 7 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1l2w h ALA 7 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1l2w h ALA 7 CO -0.01 0.20 0.10 0.82 0.00 0.00 0.00 179.25 180.37 1l2w h ILE 8 N 0.70 1.19 -0.49 0.00 1.08 -0.73 -1.20 117.51 118.06 1l2w h ILE 8 Ca 0.18 -0.60 0.03 0.00 -0.39 0.00 0.00 64.86 64.09 1l2w h ILE 8 Cb 0.06 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 1l2w h ILE 8 CO -0.03 0.20 0.26 0.74 -0.69 0.00 0.00 178.15 178.64 1l2w h THR 9 N 0.32 0.99 -0.36 -0.27 2.02 -0.90 0.12 112.91 114.83 1l2w h THR 9 Ca 0.10 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1l2w h THR 9 Cb 0.21 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1l2w h THR 9 CO -0.01 0.09 0.21 -0.61 0.37 0.00 0.00 175.52 175.58 1l2w h GLN 10 N 0.52 0.50 -0.18 6.66 4.15 -0.93 -1.22 115.11 124.61 1l2w h GLN 10 Ca 0.21 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.59 1l2w h GLN 10 Cb 0.08 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1l2w h GLN 10 CO -0.13 0.40 0.05 1.25 -1.93 0.00 0.00 178.83 178.48 1l2w h LEU 11 N 0.47 0.05 -1.17 -2.39 5.85 -0.63 -2.09 115.31 115.40 1l2w h LEU 11 Ca 0.13 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1l2w h LEU 11 Cb 0.04 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1l2w h LEU 11 CO -0.02 0.05 0.57 -0.26 -0.34 0.00 0.00 178.44 178.44 1l2w h PHE 12 N 0.13 1.04 -0.82 1.25 -1.00 -0.51 -1.38 116.94 115.65 1l2w h PHE 12 Ca 0.08 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 1l2w h PHE 12 Cb 0.06 -0.35 -0.04 0.00 3.61 0.00 0.00 35.95 39.23 1l2w h PHE 12 CO -0.12 0.60 0.38 1.96 -1.61 0.00 0.00 178.31 179.52 1l2w h GLN 13 N 1.07 1.19 0.00 1.51 4.20 -0.77 -0.23 115.11 122.09 1l2w h GLN 13 Ca 0.35 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1l2w h GLN 13 Cb 0.05 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1l2w h GLN 13 CO -0.11 0.93 0.00 1.04 -0.67 0.00 0.00 178.83 180.02 1l2w n GLN 14 N -4.30 0.05 -0.09 1.46 6.02 -0.61 -2.64 117.38 117.28 1l2w n GLN 14 Ca 0.08 0.18 0.06 0.00 -0.01 0.00 0.00 57.00 57.30 1l2w n GLN 14 Cb 0.15 -1.57 0.10 0.00 1.02 0.00 0.00 30.24 29.94 1l2w n GLN 14 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1l2w n LEU 15 N -1.66 2.46 -2.95 1.08 4.77 -0.52 -4.98 117.00 115.20 1l2w n LEU 15 Ca 0.05 -1.49 -0.21 0.00 -0.03 0.00 0.00 56.01 54.32 1l2w n LEU 15 Cb 0.26 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1l2w n LEU 15 CO 0.21 0.55 0.04 -1.20 -1.33 0.00 0.00 177.39 175.66 1l2w n SER 16 N 0.61 -5.96 -4.73 -1.43 7.64 -0.44 -4.99 113.62 104.31 1l2w n SER 16 Ca 0.09 -0.31 -0.35 0.00 1.01 0.00 0.00 58.87 59.31 1l2w n SER 16 Cb 0.36 -4.75 -0.08 0.00 -1.01 0.00 0.00 64.21 58.73 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 -6.44 3.90 0.43 -3.43 1.43 -0.23 -5.04 118.68 109.30 1l2w s LEU 17 Ca 0.33 0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 53.41 1l2w s LEU 17 Cb -0.15 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1l2w s LEU 17 CO 0.41 0.34 1.40 -0.94 0.23 0.00 0.00 176.35 177.79 1l2w s SER 18 N -0.62 6.01 -0.36 2.29 1.04 -1.26 -4.44 113.70 116.36 1l2w s SER 18 Ca 0.11 2.87 -0.26 0.00 0.48 0.00 0.00 55.95 59.15 1l2w s SER 18 Cb -0.12 -2.65 0.02 0.00 0.10 0.00 0.00 66.02 63.37 1l2w s SER 18 CO 0.02 -1.08 0.95 -0.63 0.98 0.00 0.00 173.24 173.48 1l2w s ILE 19 N -1.21 4.57 0.71 -1.02 1.01 -1.26 -5.02 121.20 118.98 1l2w s ILE 19 Ca 0.59 1.26 -0.16 0.00 0.00 0.00 0.00 60.65 62.34 1l2w s ILE 19 Cb -0.43 -4.35 0.01 0.00 0.01 0.00 0.00 42.46 37.70 1l2w s ILE 19 CO 0.55 -0.54 1.06 -2.65 0.00 0.00 0.00 174.94 173.36 1l2w n PRO 20 N 6.81 0.61 0.16 2.79 -0.02 -1.26 -4.89 135.00 139.19 1l2w n PRO 20 Ca 0.08 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.83 1l2w n PRO 20 Cb 0.48 -2.30 0.24 0.00 -0.02 0.00 0.00 33.50 31.90 1l2w n PRO 20 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1l2w h ASP 21 N -0.13 0.00 -3.40 2.55 3.32 -2.06 -3.41 116.42 113.28 1l2w h ASP 21 Ca -0.48 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.06 1l2w h ASP 21 Cb 1.33 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.55 1l2w h ASP 21 CO 0.48 0.53 -0.81 -0.89 -1.72 0.00 0.00 179.24 176.83 1l2w s THR 22 N -3.74 1.10 -0.43 0.35 2.01 -1.26 -5.11 115.64 108.55 1l2w s THR 22 Ca -0.01 -0.45 -0.15 0.00 0.31 0.00 0.00 61.69 61.39 1l2w s THR 22 Cb 0.13 -1.01 0.04 0.00 0.01 0.00 0.00 72.50 71.66 1l2w s THR 22 CO 0.74 0.35 0.33 -0.63 -0.69 0.00 0.00 174.62 174.72 1l2w s ILE 23 N 0.76 5.24 0.69 1.82 1.01 -1.26 -5.07 121.20 124.38 1l2w s ILE 23 Ca -0.13 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 1l2w s ILE 23 Cb -0.15 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.34 1l2w s ILE 23 CO 0.03 -0.40 1.09 -1.83 0.00 0.00 0.00 174.94 173.82 1l2w s GLU 24 N 1.66 2.73 0.40 2.79 -1.05 -1.26 -4.95 118.70 119.03 1l2w s GLU 24 Ca 0.05 1.23 0.10 0.00 -0.15 0.00 0.00 54.97 56.19 1l2w s GLU 24 Cb -0.21 -1.95 0.88 0.00 -0.44 0.00 0.00 34.13 32.41 1l2w s GLU 24 CO 0.09 -1.28 1.97 -1.35 0.95 0.00 0.00 175.26 175.63 1l2w h PRO 25 N -0.38 0.57 -4.67 -4.83 0.11 -1.97 -3.34 132.00 117.48 1l2w h PRO 25 Ca -0.45 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 64.96 1l2w h PRO 25 Cb 1.23 -0.13 -0.40 0.00 0.11 0.00 0.00 31.00 31.82 1l2w h PRO 25 CO 0.54 0.38 -0.73 0.08 -0.21 0.00 0.00 178.00 178.06 1l2w s VAL 26 N -5.54 2.22 0.03 3.15 1.01 -1.26 -4.31 120.40 115.70 1l2w s VAL 26 Ca -0.09 -2.25 -0.28 0.00 0.00 0.00 0.00 61.98 59.36 1l2w s VAL 26 Cb 0.20 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1l2w s VAL 26 CO 0.76 -0.55 0.87 -0.63 0.00 0.00 0.00 175.10 175.55 1l2w s ILE 27 N 0.94 4.78 -0.21 2.22 -1.09 0.35 -4.86 121.20 123.32 1l2w s ILE 27 Ca 0.09 1.85 -0.09 0.00 -2.23 0.00 0.00 60.65 60.27 1l2w s ILE 27 Cb -0.19 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1l2w s ILE 27 CO -0.08 0.26 0.10 -0.83 -1.23 0.00 0.00 174.94 173.16 1l2w s GLY 28 N 0.47 1.93 -0.10 6.18 0.00 -1.26 -0.82 107.32 113.72 1l2w s GLY 28 Ca 0.45 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 1l2w s GLY 28 CO 0.25 0.24 -0.01 0.14 0.00 0.00 0.00 173.10 173.72 1l2w s VAL 29 N 0.75 0.56 -0.38 1.40 1.01 0.38 -4.99 120.40 119.13 1l2w s VAL 29 Ca 0.05 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 1l2w s VAL 29 Cb -0.13 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1l2w s VAL 29 CO 0.02 0.23 0.56 -0.75 0.00 0.00 0.00 175.10 175.16 1l2w s LYS 30 N 1.89 3.50 -0.49 2.72 2.47 -1.26 -0.37 119.74 128.20 1l2w s LYS 30 Ca 0.04 -0.23 -0.05 0.00 -1.56 0.00 0.00 55.97 54.18 1l2w s LYS 30 Cb -0.13 -3.86 0.13 0.00 -1.46 0.00 0.00 37.83 32.51 1l2w s LYS 30 CO -0.06 -0.76 0.31 0.08 0.16 0.00 0.00 175.35 175.08 1l2w s VAL 31 N 2.52 3.67 0.00 4.02 1.01 0.49 -4.95 120.40 127.16 1l2w s VAL 31 Ca 0.20 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.94 1l2w s VAL 31 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1l2w s VAL 31 CO 0.15 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 175.09 1l2w n GLY 32 N 4.36 2.60 1.14 4.51 0.00 -1.26 -2.23 105.19 114.31 1l2w n GLY 32 Ca -0.00 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1l2w n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l2w n GLU 33 N 12.44 2.51 -3.78 1.61 1.02 -1.26 -4.91 120.64 128.28 1l2w n GLU 33 Ca 0.00 -2.33 -0.36 0.00 -0.02 0.00 0.00 57.16 54.45 1l2w n GLU 33 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 1l2w n GLU 33 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1l2w s PHE 34 N -1.30 3.11 -0.29 -0.32 0.40 -0.95 -5.06 117.98 113.57 1l2w s PHE 34 Ca 0.39 -0.32 -0.22 0.00 -0.60 0.00 0.00 56.93 56.18 1l2w s PHE 34 Cb 0.22 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 1l2w s PHE 34 CO 0.30 -0.29 0.71 0.00 0.70 0.00 0.00 175.22 176.64 1l2w s ALA 35 N 1.49 3.56 0.12 5.36 0.00 -1.26 -0.38 121.76 130.65 1l2w s ALA 35 Ca 0.06 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 51.63 1l2w s ALA 35 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1l2w s ALA 35 CO 0.04 -1.06 -0.17 0.00 0.00 0.00 0.00 175.76 174.58 1l2w s HIS 37 N -1.20 1.87 -0.08 0.00 3.76 0.33 -0.47 115.29 119.49 1l2w s HIS 37 Ca 0.19 -0.49 0.04 0.00 -0.15 0.00 0.00 55.06 54.64 1l2w s HIS 37 Cb -0.10 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.35 1l2w s HIS 37 CO 0.11 -0.14 -0.21 0.42 -0.85 0.00 0.00 174.74 174.07 1l2w s ILE 38 N -0.13 1.80 0.21 0.60 1.01 -0.00 -1.20 121.20 123.48 1l2w s ILE 38 Ca -0.01 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 1l2w s ILE 38 Cb -0.11 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.81 1l2w s ILE 38 CO 0.02 0.50 0.48 0.28 0.00 0.00 0.00 174.94 176.22 1l2w s THR 39 N 0.35 0.03 -0.41 2.92 -1.32 -0.49 -0.50 115.64 116.22 1l2w s THR 39 Ca -0.15 -1.07 -0.14 0.00 -1.21 0.00 0.00 61.69 59.11 1l2w s THR 39 Cb -0.17 -1.82 0.02 0.00 -1.51 0.00 0.00 72.50 69.03 1l2w s THR 39 CO 0.07 -0.11 0.29 -0.70 -2.21 0.00 0.00 174.62 171.95 1l2w s GLU 40 N -3.93 2.94 -0.30 7.08 2.12 -1.26 -0.47 118.70 124.88 1l2w s GLU 40 Ca 0.14 -1.04 -0.08 0.00 0.36 0.00 0.00 54.97 54.35 1l2w s GLU 40 Cb -0.00 -3.95 0.16 0.00 0.26 0.00 0.00 34.13 30.60 1l2w s GLU 40 CO 0.01 -0.75 0.71 -1.58 -0.54 0.00 0.00 175.26 173.12 1l2w s HIS 41 N 1.66 -1.28 0.45 5.30 2.46 -0.45 -4.27 115.29 119.16 1l2w s HIS 41 Ca 0.04 1.82 -0.08 0.00 0.47 0.00 0.00 55.06 57.31 1l2w s HIS 41 Cb -0.19 0.62 0.11 0.00 -0.13 0.00 0.00 32.58 32.99 1l2w s HIS 41 CO 0.09 -0.66 0.50 -0.35 -2.47 0.00 0.00 174.74 171.85 1l2w n PRO 42 N 5.38 -1.21 -1.64 2.88 -0.04 -1.26 -4.54 135.00 134.57 1l2w n PRO 42 Ca -0.07 -0.78 -0.44 0.00 -0.04 0.00 0.00 63.50 62.17 1l2w n PRO 42 Cb 0.51 -0.62 -0.01 0.00 -0.04 0.00 0.00 33.50 33.34 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 -3.12 1.98 -0.93 0.52 0.31 -1.26 -1.77 118.33 114.06 1l2w n VAL 43 Ca 0.07 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1l2w n VAL 43 Cb 0.24 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 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 1.04 0.82 3.08 2.92 0.00 -1.26 -5.03 105.19 106.76 1l2w n GLY 44 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.07 1.10 -0.31 1.61 -1.52 -0.73 -0.62 119.66 119.13 1l2w s GLN 45 Ca 0.00 -0.45 -0.11 0.00 -1.95 0.00 0.00 55.36 52.85 1l2w s GLN 45 Cb 0.00 -1.05 -0.02 0.00 -0.22 0.00 0.00 33.01 31.72 1l2w s GLN 45 CO 0.00 0.25 0.19 0.42 -0.25 0.00 0.00 175.29 175.90 1l2w s ILE 46 N -0.20 5.03 -0.13 1.08 -1.09 0.02 -1.35 121.20 124.57 1l2w s ILE 46 Ca 0.03 -0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 1l2w s ILE 46 Cb -0.06 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1l2w s ILE 46 CO -0.00 0.10 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.58 1l2w s LEU 47 N 1.69 3.45 -0.02 2.97 2.96 0.37 -2.08 118.68 128.03 1l2w s LEU 47 Ca 0.06 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1l2w s LEU 47 Cb -0.17 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1l2w s LEU 47 CO 0.09 0.26 -0.13 -0.04 -1.32 0.00 0.00 176.35 175.22 1l2w s MET 48 N -0.20 1.12 0.13 1.98 -1.94 -0.59 -1.39 119.30 118.40 1l2w s MET 48 Ca 0.05 -0.44 -0.13 0.00 -1.71 0.00 0.00 55.69 53.45 1l2w s MET 48 Cb -0.13 -1.05 0.02 0.00 2.01 0.00 0.00 34.83 35.68 1l2w s MET 48 CO 0.02 0.24 0.35 -0.59 -0.01 0.00 0.00 175.02 175.03 1l2w s PHE 49 N -0.15 -0.02 0.13 -0.03 -0.12 -0.34 -1.39 117.98 116.06 1l2w s PHE 49 Ca 0.02 -0.33 -0.14 0.00 -0.05 0.00 0.00 56.93 56.42 1l2w s PHE 49 Cb -0.07 0.16 0.02 0.00 -0.63 0.00 0.00 43.02 42.50 1l2w s PHE 49 CO 0.00 -0.70 0.37 -0.08 -0.05 0.00 0.00 175.22 174.76 1l2w s THR 50 N -3.85 0.08 -0.44 -4.49 -1.32 -0.43 -0.51 115.64 104.68 1l2w s THR 50 Ca 0.06 -0.78 -0.15 0.00 -1.21 0.00 0.00 61.69 59.61 1l2w s THR 50 Cb 0.02 -1.31 0.05 0.00 -1.51 0.00 0.00 72.50 69.75 1l2w s THR 50 CO -0.09 -0.35 0.33 -0.76 -2.21 0.00 0.00 174.62 171.55 1l2w s LEU 51 N -2.84 5.32 0.67 9.08 1.02 -1.26 -1.30 118.68 129.37 1l2w s LEU 51 Ca 0.05 -1.12 -0.11 0.00 0.02 0.00 0.00 54.13 52.97 1l2w s LEU 51 Cb 0.02 -2.15 -0.01 0.00 0.02 0.00 0.00 46.19 44.07 1l2w s LEU 51 CO -0.10 -0.54 1.06 -2.16 0.02 0.00 0.00 176.35 174.64 1l2w s PRO 52 N 1.64 3.16 -0.36 1.29 0.04 -1.26 -4.95 135.00 134.56 1l2w s PRO 52 Ca 0.04 0.55 -0.14 0.00 0.04 0.00 0.00 61.00 61.50 1l2w s PRO 52 Cb -0.22 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1l2w s PRO 52 CO 0.08 -0.83 0.29 -1.12 0.04 0.00 0.00 177.00 175.46 1l2w s SER 53 N -4.29 6.11 0.08 6.66 0.01 -1.26 -4.78 113.70 116.23 1l2w s SER 53 Ca 0.57 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 1l2w s SER 53 Cb -0.11 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 1l2w s SER 53 CO 0.52 -0.32 0.35 -0.76 0.41 0.00 0.00 173.24 173.44 1l2w s LEU 54 N 1.81 4.32 -0.18 2.44 1.43 -1.26 -4.40 118.68 122.85 1l2w s LEU 54 Ca 0.08 0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 53.57 1l2w s LEU 54 Cb -0.17 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 1l2w s LEU 54 CO 0.11 0.15 0.77 -0.62 0.23 0.00 0.00 176.35 176.98 1l2w s ASP 55 N -2.03 6.86 0.56 2.29 -1.08 -1.26 -4.94 116.67 117.08 1l2w s ASP 55 Ca 0.35 1.05 0.36 0.00 -0.52 0.00 0.00 52.55 53.79 1l2w s ASP 55 Cb -0.13 -2.42 1.65 0.00 -1.46 0.00 0.00 42.92 40.56 1l2w s ASP 55 CO 0.20 -0.37 2.07 0.78 0.52 0.00 0.00 175.17 178.38 1l2w h ASN 56 N 7.40 0.00 0.39 -0.34 2.35 -1.98 -2.16 115.58 121.24 1l2w h ASN 56 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1l2w h ASN 56 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1l2w h ASN 56 CO 0.82 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 177.19 1l2w n ASN 57 N -3.02 0.00 -4.73 5.81 5.03 -1.26 -4.75 115.26 112.34 1l2w n ASN 57 Ca -0.00 -0.36 -0.39 0.00 0.87 0.00 0.00 54.58 54.70 1l2w n ASN 57 Cb 0.23 -0.20 -0.06 0.00 -1.02 0.00 0.00 39.78 38.73 1l2w n ASN 57 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1l2w s ASP 58 N -2.41 6.81 0.71 6.41 1.01 -0.81 -5.07 116.67 123.32 1l2w s ASP 58 Ca 0.33 0.97 -0.02 0.00 0.71 0.00 0.00 52.55 54.54 1l2w s ASP 58 Cb 0.20 -2.33 0.11 0.00 1.01 0.00 0.00 42.92 41.91 1l2w s ASP 58 CO 0.42 -0.01 0.99 -1.61 0.21 0.00 0.00 175.17 175.16 1l2w s GLU 59 N 0.54 1.77 0.14 8.23 2.02 -1.26 -4.88 118.70 125.25 1l2w s GLU 59 Ca 0.30 -0.96 -0.24 0.00 0.02 0.00 0.00 54.97 54.09 1l2w s GLU 59 Cb -0.16 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 1l2w s GLU 59 CO 0.14 -1.39 1.63 1.57 0.02 0.00 0.00 175.26 177.23 1l2w h LYS 60 N -0.52 -0.31 -0.69 1.61 2.10 -1.99 -1.56 116.57 115.21 1l2w h LYS 60 Ca -0.38 0.02 0.10 0.00 -2.00 0.00 0.00 60.65 58.39 1l2w h LYS 60 Cb 1.27 0.07 -0.08 0.00 -0.90 0.00 0.00 32.23 32.60 1l2w h LYS 60 CO 0.43 -0.20 0.31 0.93 -2.00 0.00 0.00 179.45 178.92 1l2w h GLU 61 N -0.32 0.50 -0.70 0.07 3.07 -1.98 0.32 114.58 115.55 1l2w h GLU 61 Ca 0.10 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1l2w h GLU 61 Cb 0.46 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1l2w h GLU 61 CO -0.30 0.33 0.28 1.15 -1.40 0.00 0.00 179.01 179.07 1l2w h THR 62 N 0.52 1.25 -0.17 1.13 2.02 -1.82 -0.77 112.91 115.07 1l2w h THR 62 Ca 0.35 -0.77 -0.15 0.00 0.77 0.00 0.00 66.41 66.61 1l2w h THR 62 Cb 0.42 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1l2w h THR 62 CO -0.31 0.31 -0.47 -0.07 0.37 0.00 0.00 175.52 175.35 1l2w h LEU 63 N 0.99 0.71 -1.40 2.58 3.38 -0.72 -3.17 115.31 117.68 1l2w h LEU 63 Ca 0.23 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1l2w h LEU 63 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1l2w h LEU 63 CO -0.02 1.16 -0.30 -0.07 0.09 0.00 0.00 178.44 179.31 1l2w h LEU 64 N 0.28 0.00 -2.02 1.67 3.38 -0.87 -2.69 115.31 115.07 1l2w h LEU 64 Ca -0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1l2w h LEU 64 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1l2w h LEU 64 CO 0.10 0.30 0.14 0.28 0.09 0.00 0.00 178.44 179.35 1l2w h SER 65 N 0.00 0.00 0.55 -0.43 0.02 -1.10 -0.36 113.55 112.23 1l2w h SER 65 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1l2w h SER 65 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1l2w h SER 65 CO 0.04 0.00 -0.06 0.45 -1.14 0.00 0.00 176.83 176.12 1l2w h HIS 66 N 0.00 0.00 -0.37 3.45 3.86 -1.56 -3.02 115.15 117.50 1l2w h HIS 66 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1l2w h HIS 66 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1l2w h HIS 66 CO 0.00 0.06 0.00 0.09 0.86 0.00 0.00 177.93 178.94 1l2w n ASN 67 N -3.30 2.24 -4.77 2.45 3.02 -0.14 -4.87 115.26 109.89 1l2w n ASN 67 Ca -0.01 -1.94 -0.39 0.00 -0.03 0.00 0.00 54.58 52.21 1l2w n ASN 67 Cb 0.24 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 1l2w n ASN 67 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1l2w s ILE 68 N -1.51 2.82 0.79 2.41 1.10 -1.14 -4.97 121.20 120.69 1l2w s ILE 68 Ca 0.30 0.72 -0.12 0.00 -0.51 0.00 0.00 60.65 61.05 1l2w s ILE 68 Cb 0.16 -3.42 0.07 0.00 0.15 0.00 0.00 42.46 39.42 1l2w s ILE 68 CO 0.22 0.09 1.13 0.72 -2.11 0.00 0.00 174.94 174.99 1l2w s PHE 69 N -1.31 2.23 0.00 3.50 -0.12 -1.26 -5.05 117.98 115.97 1l2w s PHE 69 Ca 0.57 1.63 0.00 0.00 -0.05 0.00 0.00 56.93 59.08 1l2w s PHE 69 Cb -0.35 -3.22 0.00 0.00 -0.63 0.00 0.00 43.02 38.82 1l2w s PHE 69 CO 0.45 -2.19 0.00 -1.13 -0.05 0.00 0.00 175.22 172.30 1l2w n SER 70 N -3.41 0.00 0.01 1.98 3.41 -1.26 -5.03 113.62 109.31 1l2w n SER 70 Ca 0.11 -0.86 0.14 0.00 -0.26 0.00 0.00 58.87 58.00 1l2w n SER 70 Cb 0.52 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.02 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 0.03 -3.64 4.33 10.64 -1.26 -4.66 117.38 122.82 1l2w n GLN 71 Ca 0.00 0.02 -0.40 0.00 -1.83 0.00 0.00 57.00 54.79 1l2w n GLN 71 Cb 0.00 -1.53 -0.12 0.00 -0.86 0.00 0.00 30.24 27.74 1l2w n GLN 71 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1l2w s ASP 72 N -3.15 5.60 0.00 2.61 -1.08 -1.26 -4.96 116.67 114.43 1l2w s ASP 72 Ca 0.13 -0.96 0.12 0.00 -0.52 0.00 0.00 52.55 51.32 1l2w s ASP 72 Cb 0.18 -1.98 0.56 0.00 -1.46 0.00 0.00 42.92 40.22 1l2w s ASP 72 CO 0.56 -0.34 1.32 2.30 0.52 0.00 0.00 175.17 179.53 1l2w n ILE 73 N 4.95 0.91 1.23 4.11 -5.35 -1.26 -1.93 119.36 122.02 1l2w n ILE 73 Ca -0.12 0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.71 1l2w n ILE 73 Cb 0.46 -1.03 0.30 0.00 -1.74 0.00 0.00 39.64 37.63 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 -1.38 2.29 -4.68 7.28 4.77 -1.26 -4.70 117.00 119.32 1l2w n LEU 74 Ca 0.04 -0.76 -0.43 0.00 -0.03 0.00 0.00 56.01 54.84 1l2w n LEU 74 Cb 0.11 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1l2w n LEU 74 CO 0.10 0.38 1.52 1.17 -1.33 0.00 0.00 177.39 179.23 1l2w n LYS 75 N 0.79 2.79 -2.11 3.23 4.81 -0.81 -4.72 118.16 122.13 1l2w n LYS 75 Ca 0.16 1.02 -0.36 0.00 -0.87 0.00 0.00 58.31 58.26 1l2w n LYS 75 Cb 0.48 -2.93 0.02 0.00 0.02 0.00 0.00 35.03 32.63 1l2w n LYS 75 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1l2w s PRO 76 N 3.37 3.15 -0.15 1.64 0.04 -1.26 -4.88 135.00 136.91 1l2w s PRO 76 Ca 0.85 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 63.60 1l2w s PRO 76 Cb -0.48 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1l2w s PRO 76 CO 0.40 -1.05 0.03 0.42 0.04 0.00 0.00 177.00 176.84 1l2w s ILE 77 N -1.64 4.55 -0.16 0.56 -1.09 0.85 -4.81 121.20 119.47 1l2w s ILE 77 Ca 0.75 -0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.87 1l2w s ILE 77 Cb -0.28 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 1l2w s ILE 77 CO 0.31 0.52 0.41 -0.22 -1.23 0.00 0.00 174.94 174.73 1l2w s LEU 78 N -0.09 4.23 0.00 2.97 2.96 -1.26 -1.56 118.68 125.93 1l2w s LEU 78 Ca 0.05 0.65 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 1l2w s LEU 78 Cb -0.12 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1l2w s LEU 78 CO 0.02 -0.01 0.31 -1.54 -1.32 0.00 0.00 176.35 173.81 1l2w n SER 79 N 3.93 -0.82 -3.97 3.68 3.41 0.77 -4.96 113.62 115.66 1l2w n SER 79 Ca -0.08 -2.75 -0.18 0.00 -0.26 0.00 0.00 58.87 55.60 1l2w n SER 79 Cb 0.51 1.71 -0.15 0.00 -0.26 0.00 0.00 64.21 66.02 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 -3.17 0.67 -0.50 7.33 -0.11 -1.26 0.49 118.94 122.38 1l2w s TRP 80 Ca 0.30 -0.14 -0.14 0.00 1.22 0.00 0.00 56.10 57.33 1l2w s TRP 80 Cb 0.01 -0.48 0.11 0.00 -1.50 0.00 0.00 33.47 31.61 1l2w s TRP 80 CO 0.21 -0.06 0.43 0.34 -4.62 0.00 0.00 176.95 173.26 1l2w s ASP 81 N 0.10 6.07 0.36 5.86 2.15 0.10 -4.89 116.67 126.42 1l2w s ASP 81 Ca -0.01 -1.65 0.05 0.00 0.43 0.00 0.00 52.55 51.37 1l2w s ASP 81 Cb -0.06 -2.16 0.67 0.00 -0.30 0.00 0.00 42.92 41.07 1l2w s ASP 81 CO -0.00 -0.75 1.94 -0.33 -0.17 0.00 0.00 175.17 175.86 1l2w h GLU 82 N 8.76 0.57 -0.15 4.34 4.39 -1.97 0.20 114.58 130.72 1l2w h GLU 82 Ca -0.28 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 1l2w h GLU 82 Cb 1.10 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1l2w h GLU 82 CO 0.95 0.50 0.04 0.28 -1.16 0.00 0.00 179.01 179.62 1l2w h VAL 83 N 0.56 1.19 -0.01 3.13 2.07 -1.97 -3.23 116.25 118.00 1l2w h VAL 83 Ca 0.13 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1l2w h VAL 83 Cb 0.17 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1l2w h VAL 83 CO -0.01 0.18 -0.50 0.61 0.02 0.00 0.00 177.57 177.87 1l2w n GLY 84 N -0.55 -0.54 3.20 2.17 0.00 -1.19 -5.00 105.19 103.28 1l2w n GLY 84 Ca -0.05 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 1.42 -0.68 3.02 -0.02 0.00 0.66 -5.05 105.19 104.55 1l2w n GLY 85 Ca 0.09 0.31 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.35 0.04 0.36 1.61 3.76 -1.09 -5.01 115.29 111.62 1l2w s HIS 86 Ca 0.22 -0.09 -0.20 0.00 -0.15 0.00 0.00 55.06 54.84 1l2w s HIS 86 Cb -0.03 -0.05 -0.10 0.00 1.11 0.00 0.00 32.58 33.51 1l2w s HIS 86 CO 0.69 -0.18 0.87 -1.25 -0.85 0.00 0.00 174.74 174.02 1l2w s PRO 87 N -0.88 4.24 -0.06 8.40 0.04 -1.26 -0.72 135.00 144.76 1l2w s PRO 87 Ca -0.10 1.02 0.01 0.00 0.04 0.00 0.00 61.00 61.98 1l2w s PRO 87 Cb -0.06 -2.43 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1l2w s PRO 87 CO 0.00 0.12 -0.08 0.08 0.04 0.00 0.00 177.00 177.16 1l2w s VAL 88 N -1.96 0.85 -0.18 -0.36 1.01 0.18 -4.10 120.40 115.84 1l2w s VAL 88 Ca 0.56 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1l2w s VAL 88 Cb -0.12 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1l2w s VAL 88 CO 0.17 0.30 -0.05 -0.22 0.00 0.00 0.00 175.10 175.29 1l2w s LEU 89 N 0.86 2.99 0.04 3.92 2.96 -0.42 -0.16 118.68 128.88 1l2w s LEU 89 Ca -0.12 -0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 1l2w s LEU 89 Cb -0.15 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.81 1l2w s LEU 89 CO 0.01 0.07 0.21 -1.66 -1.32 0.00 0.00 176.35 173.67 1l2w s TRP 90 N 0.92 0.04 0.13 5.38 1.48 -0.60 -1.32 118.94 124.97 1l2w s TRP 90 Ca -0.01 -0.25 -0.00 0.00 -1.06 0.00 0.00 56.10 54.78 1l2w s TRP 90 Cb -0.15 -0.01 -0.04 0.00 -1.16 0.00 0.00 33.47 32.11 1l2w s TRP 90 CO 0.01 -0.45 0.03 0.54 -4.06 0.00 0.00 176.95 173.02 1l2w s ASN 91 N -2.11 0.59 -0.00 -2.66 2.20 -0.49 -0.10 114.94 112.37 1l2w s ASN 91 Ca -0.05 -1.17 -0.18 0.00 -0.94 0.00 0.00 52.86 50.52 1l2w s ASN 91 Cb -0.01 0.23 0.03 0.00 -2.00 0.00 0.00 41.25 39.51 1l2w s ASN 91 CO -0.04 -0.66 0.40 -0.60 -2.94 0.00 0.00 177.10 173.26 1l2w s ARG 92 N -3.99 0.81 0.03 3.55 3.52 -1.26 -1.55 118.95 120.06 1l2w s ARG 92 Ca 0.22 -0.18 -0.23 0.00 -0.13 0.00 0.00 55.73 55.41 1l2w s ARG 92 Cb 0.07 0.37 0.05 0.00 -1.56 0.00 0.00 34.95 33.88 1l2w s ARG 92 CO 0.01 -0.25 0.52 1.14 -0.81 0.00 0.00 175.30 175.91 1l2w s GLN 93 N -1.70 1.01 0.42 5.12 -2.07 -0.88 -4.79 119.66 116.78 1l2w s GLN 93 Ca -0.10 -0.18 -0.26 0.00 -1.82 0.00 0.00 55.36 53.00 1l2w s GLN 93 Cb -0.03 0.46 -0.09 0.00 -1.09 0.00 0.00 33.01 32.26 1l2w s GLN 93 CO 0.03 -0.35 1.44 -2.14 -1.32 0.00 0.00 175.29 172.95 1l2w s PRO 94 N -2.22 3.84 0.23 9.60 0.02 -1.26 -0.80 135.00 144.41 1l2w s PRO 94 Ca -0.06 2.46 0.11 0.00 0.02 0.00 0.00 61.00 63.53 1l2w s PRO 94 Cb -0.01 -2.77 0.16 0.00 0.02 0.00 0.00 34.50 31.90 1l2w s PRO 94 CO 0.00 -0.71 1.49 1.25 -0.33 0.00 0.00 177.00 178.70 1l2w h LEU 95 N 2.57 0.00 -0.24 -5.54 5.85 -1.19 -2.97 115.31 113.79 1l2w h LEU 95 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1l2w h LEU 95 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1l2w h LEU 95 CO 0.62 0.70 -0.10 -0.46 -0.34 0.00 0.00 178.44 178.87 1l2w n ASN 96 N -3.51 0.47 -3.23 1.25 0.23 -1.26 -4.21 115.26 105.01 1l2w n ASN 96 Ca -0.00 -0.62 -0.24 0.00 -0.53 0.00 0.00 54.58 53.19 1l2w n ASN 96 Cb 0.74 -0.07 -0.07 0.00 -2.08 0.00 0.00 39.78 38.29 1l2w n ASN 96 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1l2w n SER 97 N -0.92 0.70 -4.70 0.53 2.88 -1.12 -5.11 113.62 105.87 1l2w n SER 97 Ca 0.15 -2.80 -0.40 0.00 -1.33 0.00 0.00 58.87 54.49 1l2w n SER 97 Cb 0.27 -0.64 -0.05 0.00 -0.75 0.00 0.00 64.21 63.04 1l2w n SER 97 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1l2w s LEU 98 N -1.36 4.26 0.00 2.46 1.43 -1.23 -4.32 118.68 119.91 1l2w s LEU 98 Ca 0.36 1.11 -0.34 0.00 -1.03 0.00 0.00 54.13 54.22 1l2w s LEU 98 Cb 0.17 -3.06 -0.13 0.00 0.03 0.00 0.00 46.19 43.20 1l2w s LEU 98 CO -0.10 -0.19 1.76 -0.67 0.23 0.00 0.00 176.35 177.38 1l2w n ASP 99 N 4.28 3.28 -2.46 2.29 -0.08 -1.25 -0.23 116.55 122.39 1l2w n ASP 99 Ca -0.00 1.02 -0.19 0.00 -1.51 0.00 0.00 54.79 54.10 1l2w n ASP 99 Cb 0.51 -1.39 -0.01 0.00 2.34 0.00 0.00 41.12 42.57 1l2w n ASP 99 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1l2w n ASN 100 N 5.42 -5.47 -4.07 1.67 3.02 -1.26 -2.18 115.26 112.39 1l2w n ASN 100 Ca 0.21 0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.48 1l2w n ASN 100 Cb 0.29 -4.56 -0.04 0.00 -0.61 0.00 0.00 39.78 34.86 1l2w n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1l2w n ASN 101 N -2.00 -0.41 -3.62 6.41 3.02 0.68 -4.91 115.26 114.42 1l2w n ASN 101 Ca -0.22 -1.12 -0.00 0.00 -0.03 0.00 0.00 54.58 53.21 1l2w n ASN 101 Cb 0.67 -2.47 -0.01 0.00 -0.61 0.00 0.00 39.78 37.36 1l2w n ASN 101 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1l2w s SER 102 N -4.27 -0.09 0.00 6.41 0.15 -0.93 -5.02 113.70 109.96 1l2w s SER 102 Ca 0.06 -0.13 0.21 0.00 0.70 0.00 0.00 55.95 56.79 1l2w s SER 102 Cb -0.03 0.19 -0.11 0.00 -1.71 0.00 0.00 66.02 64.36 1l2w s SER 102 CO 0.93 -0.34 0.96 0.18 1.20 0.00 0.00 173.24 176.17 1l2w n LEU 103 N -0.41 1.49 -0.16 3.45 4.77 -1.26 -3.94 117.00 120.92 1l2w n LEU 103 Ca -0.07 -0.64 -0.02 0.00 -0.03 0.00 0.00 56.01 55.25 1l2w n LEU 103 Cb 0.62 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.76 1l2w n LEU 103 CO 0.11 0.31 0.79 0.22 -1.33 0.00 0.00 177.39 177.49 1l2w h TYR 104 N 1.22 -0.19 -0.48 -1.77 5.03 -1.94 -1.80 116.97 117.05 1l2w h TYR 104 Ca 0.00 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.27 1l2w h TYR 104 Cb 0.61 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.03 1l2w h TYR 104 CO 0.00 -0.19 -0.05 1.15 -1.32 0.00 0.00 178.16 177.76 1l2w h THR 105 N 0.04 1.25 -0.31 1.81 2.02 -1.85 -1.52 112.91 114.34 1l2w h THR 105 Ca 0.25 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1l2w h THR 105 Cb 0.39 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1l2w h THR 105 CO -0.49 0.38 0.18 -0.61 0.37 0.00 0.00 175.52 175.35 1l2w h GLN 106 N 0.76 0.43 -0.40 6.66 4.15 -1.66 -0.33 115.11 124.73 1l2w h GLN 106 Ca 0.14 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1l2w h GLN 106 Cb 0.53 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1l2w h GLN 106 CO 0.03 0.34 0.17 1.25 -1.93 0.00 0.00 178.83 178.69 1l2w h LEU 107 N 0.40 0.54 -0.88 -2.39 5.85 -1.19 -1.47 115.31 116.17 1l2w h LEU 107 Ca 0.11 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1l2w h LEU 107 Cb 0.03 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1l2w h LEU 107 CO -0.02 0.55 0.51 -0.08 -0.34 0.00 0.00 178.44 179.06 1l2w h GLU 108 N 0.50 1.21 -0.23 1.25 4.81 -1.07 -1.17 114.58 119.88 1l2w h GLU 108 Ca 0.13 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1l2w h GLU 108 Cb 0.17 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1l2w h GLU 108 CO -0.01 0.86 -0.18 0.52 -0.73 0.00 0.00 179.01 179.47 1l2w h MET 109 N 1.22 0.41 0.06 1.92 2.86 -0.75 -1.27 114.93 119.37 1l2w h MET 109 Ca 0.31 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1l2w h MET 109 Cb -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1l2w h MET 109 CO -0.06 0.58 -0.03 1.25 1.06 0.00 0.00 176.91 179.72 1l2w h LEU 110 N 0.37 -0.06 -0.95 1.22 5.85 -0.43 -1.78 115.31 119.52 1l2w h LEU 110 Ca 0.07 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1l2w h LEU 110 Cb 0.54 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1l2w h LEU 110 CO 0.03 0.30 0.52 -0.37 -0.34 0.00 0.00 178.44 178.59 1l2w h VAL 111 N -0.44 1.26 -0.41 1.05 -1.51 -1.17 -0.97 116.25 114.06 1l2w h VAL 111 Ca -0.01 -0.60 -0.04 0.00 -1.23 0.00 0.00 66.70 64.82 1l2w h VAL 111 Cb 0.39 -0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.53 1l2w h VAL 111 CO 0.01 0.28 0.06 1.56 -1.23 0.00 0.00 177.57 178.26 1l2w h GLN 112 N 1.27 0.62 -0.17 5.19 4.20 -1.20 0.92 115.11 125.93 1l2w h GLN 112 Ca 0.32 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 1l2w h GLN 112 Cb -0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1l2w h GLN 112 CO -0.06 0.59 -0.38 0.78 -0.67 0.00 0.00 178.83 179.09 1l2w h GLY 113 N 0.85 0.42 0.89 3.46 0.00 -0.38 -2.19 103.07 106.11 1l2w h GLY 113 Ca 0.13 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1l2w h GLY 113 CO 0.00 0.36 -0.32 0.00 0.00 0.00 0.00 176.54 176.58 1l2w h ALA 114 N 1.27 0.30 -0.99 3.60 0.00 -0.16 -2.87 119.26 120.43 1l2w h ALA 114 Ca 0.03 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1l2w h ALA 114 Cb 0.82 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1l2w h ALA 114 CO 0.07 0.34 0.65 0.93 0.00 0.00 0.00 179.25 181.24 1l2w h GLU 115 N 0.23 1.26 -0.41 0.00 5.08 -0.75 -2.41 114.58 117.58 1l2w h GLU 115 Ca 0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1l2w h GLU 115 Cb 0.90 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1l2w h GLU 115 CO 0.07 0.83 0.23 -0.09 -1.00 0.00 0.00 179.01 179.06 1l2w h ARG 116 N 1.30 0.57 0.00 2.33 2.43 -1.35 -0.65 114.38 119.01 1l2w h ARG 116 Ca 0.38 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1l2w h ARG 116 Cb -0.09 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1l2w h ARG 116 CO -0.10 0.44 0.01 1.28 -1.51 0.00 0.00 179.97 180.09 1l2w n LEU 117 N -4.74 0.00 -0.56 3.80 4.77 -0.92 -5.12 117.00 114.23 1l2w n LEU 117 Ca 0.00 0.38 0.07 0.00 -0.03 0.00 0.00 56.01 56.43 1l2w n LEU 117 Cb 0.07 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1l2w n LEU 117 CO 0.36 -0.38 0.47 0.00 -1.33 0.00 0.00 177.39 176.51