#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 5.12 0.18 7.72 1.04 -1.26 -4.84 113.70 121.65 1l2w s SER 3 Ca 0.00 -0.60 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 1l2w s SER 3 Cb 0.00 -0.84 0.15 0.00 0.10 0.00 0.00 66.02 65.42 1l2w s SER 3 CO 0.00 -0.40 1.74 0.15 0.98 0.00 0.00 173.24 175.70 1l2w h PHE 4 N 1.26 0.23 -1.00 5.02 3.57 -2.00 -2.15 116.94 121.88 1l2w h PHE 4 Ca -0.44 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.16 1l2w h PHE 4 Cb 1.26 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.89 1l2w h PHE 4 CO 0.55 0.06 0.64 0.93 -2.23 0.00 0.00 178.31 178.26 1l2w h GLU 5 N 0.29 1.12 -0.08 1.11 3.07 -1.95 -1.27 114.58 116.87 1l2w h GLU 5 Ca 0.22 -0.07 -0.18 0.00 -0.50 0.00 0.00 59.36 58.83 1l2w h GLU 5 Cb 0.25 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1l2w h GLU 5 CO -0.25 0.74 -0.72 1.96 -1.40 0.00 0.00 179.01 179.34 1l2w h GLN 6 N 1.15 0.39 -0.04 2.33 4.20 -1.84 -1.81 115.11 119.49 1l2w h GLN 6 Ca 0.44 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1l2w h GLN 6 Cb 0.20 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1l2w h GLN 6 CO -0.18 0.95 -0.00 0.00 -0.67 0.00 0.00 178.83 178.93 1l2w h ALA 7 N 0.96 0.05 -0.22 3.87 0.00 -0.94 -2.02 119.26 120.96 1l2w h ALA 7 Ca -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1l2w h ALA 7 Cb 1.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1l2w h ALA 7 CO 0.12 -0.28 0.12 0.82 0.00 0.00 0.00 179.25 180.03 1l2w h ILE 8 N -0.24 1.02 -0.73 0.00 1.08 -1.27 -1.00 117.51 116.37 1l2w h ILE 8 Ca 0.01 -0.09 0.06 0.00 -0.39 0.00 0.00 64.86 64.45 1l2w h ILE 8 Cb 0.33 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 1l2w h ILE 8 CO 0.00 0.05 0.43 0.74 -0.69 0.00 0.00 178.15 178.68 1l2w h THR 9 N 0.25 1.01 -0.63 -0.27 2.02 -1.29 0.01 112.91 114.00 1l2w h THR 9 Ca 0.09 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1l2w h THR 9 Cb 0.00 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1l2w h THR 9 CO -0.05 0.15 0.03 -0.61 0.37 0.00 0.00 175.52 175.41 1l2w h GLN 10 N 0.79 1.10 0.20 6.66 4.15 -1.09 -2.22 115.11 124.70 1l2w h GLN 10 Ca 0.32 -0.34 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1l2w h GLN 10 Cb 0.16 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1l2w h GLN 10 CO -0.17 1.05 -0.10 1.25 -1.93 0.00 0.00 178.83 178.93 1l2w h LEU 11 N 1.01 -0.24 -1.03 -2.39 5.85 -0.26 -1.31 115.31 116.93 1l2w h LEU 11 Ca 0.18 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.01 1l2w h LEU 11 Cb 0.54 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1l2w h LEU 11 CO 0.03 -0.17 0.63 -0.26 -0.34 0.00 0.00 178.44 178.33 1l2w h PHE 12 N -0.28 1.15 -0.29 1.25 -1.00 -0.95 -0.37 116.94 116.44 1l2w h PHE 12 Ca -0.03 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 1l2w h PHE 12 Cb 0.22 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 1l2w h PHE 12 CO -0.07 0.52 -0.19 1.96 -1.61 0.00 0.00 178.31 178.93 1l2w h GLN 13 N 1.06 0.53 0.00 1.51 4.20 -1.06 0.34 115.11 121.69 1l2w h GLN 13 Ca 0.46 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.90 1l2w h GLN 13 Cb 0.35 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1l2w h GLN 13 CO -0.22 0.70 -0.44 1.96 -0.67 0.00 0.00 178.83 180.16 1l2w h GLN 14 N 0.48 0.00 -0.21 1.46 4.20 -0.04 -2.80 115.11 118.20 1l2w h GLN 14 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1l2w h GLN 14 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1l2w h GLN 14 CO 0.04 0.44 0.00 1.28 -0.67 0.00 0.00 178.83 179.92 1l2w n LEU 15 N -3.50 2.19 -3.55 1.46 4.77 -0.28 -4.94 117.00 113.16 1l2w n LEU 15 Ca 0.00 -0.91 -0.25 0.00 -0.03 0.00 0.00 56.01 54.83 1l2w n LEU 15 Cb 0.57 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1l2w n LEU 15 CO 0.38 0.45 0.18 -1.20 -1.33 0.00 0.00 177.39 175.88 1l2w n SER 16 N 0.67 -6.09 -4.79 -1.43 7.64 -0.26 -4.99 113.62 104.37 1l2w n SER 16 Ca 0.17 -0.53 -0.33 0.00 1.01 0.00 0.00 58.87 59.18 1l2w n SER 16 Cb 0.42 -4.82 -0.07 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 -7.20 3.96 0.25 -3.43 1.43 0.10 -5.01 118.68 108.78 1l2w s LEU 17 Ca 0.55 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.55 1l2w s LEU 17 Cb -0.25 -2.25 -0.11 0.00 0.03 0.00 0.00 46.19 43.62 1l2w s LEU 17 CO 0.68 0.29 1.51 -0.94 0.23 0.00 0.00 176.35 178.13 1l2w s SER 18 N -1.62 6.55 -0.20 2.29 1.04 -1.26 -4.44 113.70 116.06 1l2w s SER 18 Ca 0.22 2.76 -0.27 0.00 0.48 0.00 0.00 55.95 59.13 1l2w s SER 18 Cb -0.12 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.38 1l2w s SER 18 CO 0.12 -0.79 0.95 -0.63 0.98 0.00 0.00 173.24 173.87 1l2w s ILE 19 N 0.18 4.77 0.37 -1.02 1.01 -1.26 -5.00 121.20 120.24 1l2w s ILE 19 Ca 0.62 1.85 -0.27 0.00 0.00 0.00 0.00 60.65 62.86 1l2w s ILE 19 Cb -0.44 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 37.68 1l2w s ILE 19 CO 0.43 -0.08 1.28 -2.65 0.00 0.00 0.00 174.94 173.91 1l2w n PRO 20 N 5.79 2.05 -0.25 2.79 -0.02 -1.26 -4.88 135.00 139.21 1l2w n PRO 20 Ca 0.08 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1l2w n PRO 20 Cb 0.47 -2.34 0.22 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.37 0.92 -3.30 2.55 1.82 -2.06 -3.39 116.42 115.33 1l2w h ASP 21 Ca -0.47 -0.02 -0.52 0.00 -0.39 0.00 0.00 57.03 55.63 1l2w h ASP 21 Cb 1.29 -0.23 -0.35 0.00 0.68 0.00 0.00 39.33 40.72 1l2w h ASP 21 CO 0.61 0.66 -0.81 -0.89 -1.61 0.00 0.00 179.24 177.21 1l2w s THR 22 N -5.90 1.07 -0.61 2.25 2.01 -1.26 -5.10 115.64 108.10 1l2w s THR 22 Ca -0.11 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.28 1l2w s THR 22 Cb 0.18 -1.03 0.06 0.00 0.01 0.00 0.00 72.50 71.72 1l2w s THR 22 CO 0.79 0.36 0.94 -0.63 -0.69 0.00 0.00 174.62 175.38 1l2w s ILE 23 N 1.18 4.37 0.78 1.82 1.01 -1.26 -5.03 121.20 124.07 1l2w s ILE 23 Ca -0.05 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 1l2w s ILE 23 Cb -0.14 -4.61 0.07 0.00 0.01 0.00 0.00 42.46 37.78 1l2w s ILE 23 CO -0.02 -1.30 1.12 -1.61 0.00 0.00 0.00 174.94 173.12 1l2w s GLU 24 N 3.95 2.04 0.61 2.79 0.41 -1.26 -4.93 118.70 122.32 1l2w s GLU 24 Ca 0.25 1.34 0.37 0.00 -0.41 0.00 0.00 54.97 56.52 1l2w s GLU 24 Cb -0.15 -1.86 1.99 0.00 -1.78 0.00 0.00 34.13 32.33 1l2w s GLU 24 CO 0.13 -1.83 2.24 -1.00 -0.49 0.00 0.00 175.26 174.32 1l2w h PRO 25 N -1.06 0.00 -4.12 0.39 0.13 -1.96 -3.37 132.00 122.02 1l2w h PRO 25 Ca -0.44 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.11 1l2w h PRO 25 Cb 1.25 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.99 1l2w h PRO 25 CO 0.49 0.02 -0.78 0.08 -0.23 0.00 0.00 178.00 177.58 1l2w s VAL 26 N -4.20 1.18 -0.06 1.56 1.01 -1.26 -4.22 120.40 114.41 1l2w s VAL 26 Ca -0.04 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1l2w s VAL 26 Cb 0.13 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1l2w s VAL 26 CO 0.49 -0.06 0.21 -0.63 0.00 0.00 0.00 175.10 175.12 1l2w s ILE 27 N 1.57 5.39 -0.13 2.22 -1.09 0.27 -4.93 121.20 124.49 1l2w s ILE 27 Ca -0.03 0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.66 1l2w s ILE 27 Cb -0.17 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 1l2w s ILE 27 CO -0.07 0.52 -0.22 -0.83 -1.23 0.00 0.00 174.94 173.10 1l2w s GLY 28 N -1.32 1.36 0.02 6.18 0.00 -1.26 -0.28 107.32 112.02 1l2w s GLY 28 Ca 0.21 -1.04 0.06 0.00 0.00 0.00 0.00 44.72 43.95 1l2w s GLY 28 CO 0.10 -0.14 -0.18 0.14 0.00 0.00 0.00 173.10 173.02 1l2w s VAL 29 N 0.63 1.45 -0.26 1.40 1.01 0.31 -4.98 120.40 119.95 1l2w s VAL 29 Ca -0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 1l2w s VAL 29 Cb -0.16 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1l2w s VAL 29 CO 0.02 0.23 -0.00 -0.75 0.00 0.00 0.00 175.10 174.60 1l2w s LYS 30 N -0.90 2.99 -0.29 2.72 2.47 -1.26 0.81 119.74 126.29 1l2w s LYS 30 Ca 0.06 -0.90 0.00 0.00 -1.56 0.00 0.00 55.97 53.58 1l2w s LYS 30 Cb -0.08 -3.14 0.06 0.00 -1.46 0.00 0.00 37.83 33.21 1l2w s LYS 30 CO 0.01 -0.40 -0.04 0.08 0.16 0.00 0.00 175.35 175.16 1l2w s VAL 31 N 1.41 2.64 0.00 4.02 1.01 -0.27 -4.99 120.40 124.21 1l2w s VAL 31 Ca 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1l2w s VAL 31 Cb -0.17 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1l2w s VAL 31 CO -0.02 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1l2w n GLY 32 N 4.53 3.80 0.18 4.51 0.00 -1.26 -1.27 105.19 115.68 1l2w n GLY 32 Ca -0.13 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 13.80 0.55 -3.64 1.61 0.28 -1.26 -4.88 120.64 127.10 1l2w n GLU 33 Ca 0.00 -0.35 -0.37 0.00 -0.16 0.00 0.00 57.16 56.28 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 -2.69 3.30 -0.44 -1.84 0.40 -0.40 -5.04 117.98 111.26 1l2w s PHE 34 Ca 0.18 0.21 -0.22 0.00 -0.60 0.00 0.00 56.93 56.51 1l2w s PHE 34 Cb 0.18 -2.30 0.02 0.00 0.51 0.00 0.00 43.02 41.43 1l2w s PHE 34 CO 0.61 0.01 0.71 0.00 0.70 0.00 0.00 175.22 177.26 1l2w s ALA 35 N 1.22 3.33 0.11 5.36 0.00 -1.26 -1.12 121.76 129.40 1l2w s ALA 35 Ca 0.08 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1l2w s ALA 35 Cb -0.14 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1l2w s ALA 35 CO 0.06 -1.83 0.26 0.00 0.00 0.00 0.00 175.76 174.25 1l2w s HIS 37 N -1.65 1.40 -0.04 0.00 3.76 -0.09 -0.53 115.29 118.14 1l2w s HIS 37 Ca 0.35 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 54.92 1l2w s HIS 37 Cb -0.12 -0.97 -0.02 0.00 1.11 0.00 0.00 32.58 32.58 1l2w s HIS 37 CO 0.28 -0.17 -0.25 0.42 -0.85 0.00 0.00 174.74 174.17 1l2w s ILE 38 N 0.24 2.08 0.21 0.60 1.01 0.61 -1.18 121.20 124.77 1l2w s ILE 38 Ca -0.06 -1.08 -0.22 0.00 0.00 0.00 0.00 60.65 59.29 1l2w s ILE 38 Cb -0.12 -1.73 0.04 0.00 0.01 0.00 0.00 42.46 40.67 1l2w s ILE 38 CO 0.02 0.57 0.72 0.28 0.00 0.00 0.00 174.94 176.54 1l2w s THR 39 N -0.37 0.00 -0.47 2.92 -1.32 -0.27 -0.57 115.64 115.56 1l2w s THR 39 Ca 0.03 -0.61 -0.15 0.00 -1.21 0.00 0.00 61.69 59.74 1l2w s THR 39 Cb -0.12 -1.65 0.07 0.00 -1.51 0.00 0.00 72.50 69.29 1l2w s THR 39 CO 0.02 0.00 0.38 -0.70 -2.21 0.00 0.00 174.62 172.11 1l2w s GLU 40 N -3.75 2.97 -0.30 7.08 2.12 -1.26 -0.37 118.70 125.19 1l2w s GLU 40 Ca 0.08 -1.32 -0.08 0.00 0.36 0.00 0.00 54.97 54.00 1l2w s GLU 40 Cb -0.04 -4.11 0.15 0.00 0.26 0.00 0.00 34.13 30.39 1l2w s GLU 40 CO -0.00 -1.00 0.67 -1.58 -0.54 0.00 0.00 175.26 172.80 1l2w s HIS 41 N 1.64 -1.36 0.00 5.30 2.46 -0.70 -4.55 115.29 118.08 1l2w s HIS 41 Ca 0.04 2.09 0.00 0.00 0.47 0.00 0.00 55.06 57.67 1l2w s HIS 41 Cb -0.24 0.72 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 1l2w s HIS 41 CO 0.07 -0.69 0.00 -0.35 -2.47 0.00 0.00 174.74 171.30 1l2w n PRO 42 N 5.42 -0.53 -1.90 2.88 -0.04 -1.26 -4.53 135.00 135.04 1l2w n PRO 42 Ca -0.09 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1l2w n PRO 42 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 1l2w n PRO 42 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1l2w s VAL 43 N -0.90 2.52 0.00 0.52 1.01 -1.26 -1.99 120.40 120.31 1l2w s VAL 43 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1l2w s VAL 43 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1l2w s VAL 43 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1l2w n GLY 44 N 3.74 0.63 3.10 4.51 0.00 -1.26 -5.06 105.19 110.86 1l2w n GLY 44 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.73 2.04 -0.39 1.61 -1.52 -0.84 -0.07 119.66 119.75 1l2w s GLN 45 Ca 0.00 -0.58 -0.18 0.00 -1.95 0.00 0.00 55.36 52.65 1l2w s GLN 45 Cb 0.00 -1.66 0.01 0.00 -0.22 0.00 0.00 33.01 31.14 1l2w s GLN 45 CO 0.00 0.13 0.51 0.42 -0.25 0.00 0.00 175.29 176.10 1l2w s ILE 46 N 0.40 5.01 -0.15 1.08 -1.09 0.63 -1.73 121.20 125.35 1l2w s ILE 46 Ca -0.12 0.04 -0.06 0.00 -2.23 0.00 0.00 60.65 58.27 1l2w s ILE 46 Cb -0.15 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1l2w s ILE 46 CO 0.04 -0.36 0.08 -0.22 -1.23 0.00 0.00 174.94 173.25 1l2w s LEU 47 N 2.38 3.97 0.00 2.97 2.96 0.50 -2.19 118.68 129.27 1l2w s LEU 47 Ca 0.17 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1l2w s LEU 47 Cb -0.16 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1l2w s LEU 47 CO 0.15 0.28 -0.16 -0.04 -1.32 0.00 0.00 176.35 175.25 1l2w s MET 48 N -0.26 1.26 0.13 1.98 -1.94 -0.64 -1.12 119.30 118.72 1l2w s MET 48 Ca 0.09 -0.65 -0.18 0.00 -1.71 0.00 0.00 55.69 53.23 1l2w s MET 48 Cb -0.12 -1.25 0.04 0.00 2.01 0.00 0.00 34.83 35.52 1l2w s MET 48 CO 0.01 0.33 0.45 -0.59 -0.01 0.00 0.00 175.02 175.22 1l2w s PHE 49 N -0.51 -0.29 0.14 -0.03 -0.12 -0.33 -1.55 117.98 115.29 1l2w s PHE 49 Ca 0.06 0.02 -0.16 0.00 -0.05 0.00 0.00 56.93 56.80 1l2w s PHE 49 Cb -0.07 0.33 0.03 0.00 -0.63 0.00 0.00 43.02 42.69 1l2w s PHE 49 CO -0.00 -0.73 0.42 -0.08 -0.05 0.00 0.00 175.22 174.78 1l2w s THR 50 N -3.72 0.06 -0.47 -4.49 -1.32 -0.23 -0.91 115.64 104.56 1l2w s THR 50 Ca 0.02 -0.65 -0.11 0.00 -1.21 0.00 0.00 61.69 59.74 1l2w s THR 50 Cb 0.01 -1.29 0.11 0.00 -1.51 0.00 0.00 72.50 69.82 1l2w s THR 50 CO -0.12 -0.27 0.36 -0.76 -2.21 0.00 0.00 174.62 171.62 1l2w s LEU 51 N -2.83 5.65 0.92 9.08 1.02 -1.26 -1.14 118.68 130.13 1l2w s LEU 51 Ca 0.05 -1.74 -0.13 0.00 0.02 0.00 0.00 54.13 52.33 1l2w s LEU 51 Cb 0.01 -2.06 0.19 0.00 0.02 0.00 0.00 46.19 44.36 1l2w s LEU 51 CO -0.09 -0.68 1.27 -2.16 0.02 0.00 0.00 176.35 174.70 1l2w s PRO 52 N 1.44 0.77 -0.28 1.29 0.04 -1.26 -4.95 135.00 132.06 1l2w s PRO 52 Ca 0.04 -0.58 -0.04 0.00 0.04 0.00 0.00 61.00 60.47 1l2w s PRO 52 Cb -0.26 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1l2w s PRO 52 CO 0.01 -2.27 0.01 -1.12 0.04 0.00 0.00 177.00 173.68 1l2w s SER 53 N -4.88 4.77 0.51 6.66 0.01 -1.26 -4.78 113.70 114.73 1l2w s SER 53 Ca 0.73 -0.84 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 1l2w s SER 53 Cb -0.04 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 1l2w s SER 53 CO 0.52 -0.17 0.83 -0.76 0.41 0.00 0.00 173.24 174.06 1l2w s LEU 54 N 1.40 3.52 -0.18 2.44 1.43 -1.26 -4.68 118.68 121.34 1l2w s LEU 54 Ca 0.01 0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 53.96 1l2w s LEU 54 Cb -0.17 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 1l2w s LEU 54 CO -0.01 -0.70 0.07 -0.62 0.23 0.00 0.00 176.35 175.33 1l2w s ASP 55 N -4.15 5.71 0.13 2.29 -1.08 -1.26 -5.01 116.67 113.30 1l2w s ASP 55 Ca 0.49 0.11 -0.19 0.00 -0.52 0.00 0.00 52.55 52.44 1l2w s ASP 55 Cb -0.10 -1.98 -0.02 0.00 -1.46 0.00 0.00 42.92 39.36 1l2w s ASP 55 CO 0.46 0.18 1.74 0.78 0.52 0.00 0.00 175.17 178.84 1l2w h ASN 56 N 6.66 0.02 -1.10 -0.34 2.35 -2.01 -2.30 115.58 118.85 1l2w h ASN 56 Ca -0.38 0.04 0.34 0.00 -0.55 0.00 0.00 56.30 55.74 1l2w h ASN 56 Cb 1.16 0.05 -0.13 0.00 0.05 0.00 0.00 38.32 39.45 1l2w h ASN 56 CO 0.71 0.04 0.68 0.78 -1.65 0.00 0.00 177.43 177.99 1l2w h ASN 57 N 0.14 0.43 -2.58 5.81 -0.26 -2.06 -3.39 115.58 113.66 1l2w h ASN 57 Ca 0.10 0.14 -0.53 0.00 -0.56 0.00 0.00 56.30 55.46 1l2w h ASN 57 Cb 0.10 0.09 0.03 0.00 -1.06 0.00 0.00 38.32 37.48 1l2w h ASN 57 CO -0.14 -0.08 1.08 -1.81 -1.06 0.00 0.00 177.43 175.43 1l2w s ASP 58 N -4.90 6.51 0.71 5.81 1.01 -0.87 -4.99 116.67 119.95 1l2w s ASP 58 Ca -0.09 2.61 -0.03 0.00 0.71 0.00 0.00 52.55 55.75 1l2w s ASP 58 Cb 0.29 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.76 1l2w s ASP 58 CO 0.80 -0.96 0.99 -1.61 0.21 0.00 0.00 175.17 174.60 1l2w s GLU 59 N 2.97 1.83 0.23 8.23 2.02 -1.26 -4.84 118.70 127.89 1l2w s GLU 59 Ca 0.79 -0.80 -0.06 0.00 0.02 0.00 0.00 54.97 54.91 1l2w s GLU 59 Cb -0.42 -2.28 0.36 0.00 0.10 0.00 0.00 34.13 31.89 1l2w s GLU 59 CO 0.35 -1.37 1.77 1.57 0.02 0.00 0.00 175.26 177.60 1l2w h LYS 60 N -0.55 0.57 -0.55 1.61 2.10 -1.96 -0.46 116.57 117.33 1l2w h LYS 60 Ca -0.40 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1l2w h LYS 60 Cb 1.28 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 32.45 1l2w h LYS 60 CO 0.46 0.38 0.35 0.93 -2.00 0.00 0.00 179.45 179.56 1l2w h GLU 61 N 0.58 0.73 -0.52 0.07 3.07 -1.98 0.15 114.58 116.68 1l2w h GLU 61 Ca 0.36 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.06 1l2w h GLU 61 Cb 0.41 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1l2w h GLU 61 CO -0.29 0.51 -0.08 1.15 -1.40 0.00 0.00 179.01 178.90 1l2w h THR 62 N 0.74 1.26 -0.32 1.13 2.02 -1.76 -1.08 112.91 114.91 1l2w h THR 62 Ca 0.20 -1.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.05 1l2w h THR 62 Cb -0.05 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1l2w h THR 62 CO -0.04 0.43 -0.28 -0.07 0.37 0.00 0.00 175.52 175.93 1l2w h LEU 63 N 0.86 0.80 -1.33 2.58 3.38 -0.75 -3.08 115.31 117.77 1l2w h LEU 63 Ca 0.14 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1l2w h LEU 63 Cb 0.62 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1l2w h LEU 63 CO 0.04 1.09 -0.25 -0.07 0.09 0.00 0.00 178.44 179.34 1l2w h LEU 64 N 0.53 0.00 -2.26 1.67 3.38 -0.61 -2.93 115.31 115.09 1l2w h LEU 64 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1l2w h LEU 64 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1l2w h LEU 64 CO 0.07 0.25 0.00 0.28 0.09 0.00 0.00 178.44 179.14 1l2w h SER 65 N 0.00 0.00 0.74 -0.43 0.02 -1.10 -1.94 113.55 110.84 1l2w h SER 65 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1l2w h SER 65 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 1l2w h SER 65 CO 0.03 0.00 -0.02 0.45 -1.14 0.00 0.00 176.83 176.15 1l2w h HIS 66 N 0.00 0.00 -0.05 3.45 3.86 -1.63 -3.09 115.15 117.69 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 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1l2w h HIS 66 CO 0.00 0.02 0.00 0.09 0.86 0.00 0.00 177.93 178.90 1l2w n ASN 67 N -3.14 1.65 -4.77 2.45 5.03 -0.73 -4.81 115.26 110.95 1l2w n ASN 67 Ca -0.00 -1.58 -0.40 0.00 0.87 0.00 0.00 54.58 53.47 1l2w n ASN 67 Cb 0.25 -0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 38.98 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 -1.95 2.57 0.71 2.41 1.10 -1.17 -4.98 121.20 119.89 1l2w s ILE 68 Ca 0.36 0.52 -0.12 0.00 -0.51 0.00 0.00 60.65 60.91 1l2w s ILE 68 Cb 0.20 -3.31 0.02 0.00 0.15 0.00 0.00 42.46 39.52 1l2w s ILE 68 CO 0.32 0.09 1.08 0.72 -2.11 0.00 0.00 174.94 175.04 1l2w s PHE 69 N -1.23 2.78 0.00 3.50 -0.12 -1.26 -5.07 117.98 116.58 1l2w s PHE 69 Ca 0.56 1.51 0.00 0.00 -0.05 0.00 0.00 56.93 58.95 1l2w s PHE 69 Cb -0.39 -3.02 0.00 0.00 -0.63 0.00 0.00 43.02 38.98 1l2w s PHE 69 CO 0.51 -1.54 0.00 -1.13 -0.05 0.00 0.00 175.22 173.01 1l2w n SER 70 N -3.02 0.02 0.02 1.98 3.41 -1.26 -5.03 113.62 109.74 1l2w n SER 70 Ca 0.09 -0.29 0.13 0.00 -0.26 0.00 0.00 58.87 58.54 1l2w n SER 70 Cb 0.53 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.91 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 0.06 -3.48 4.33 0.00 -1.26 -4.71 117.38 112.32 1l2w n GLN 71 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 57.00 56.60 1l2w n GLN 71 Cb 0.00 -1.55 -0.10 0.00 0.00 0.00 0.00 30.24 28.59 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 -3.28 6.00 0.00 2.61 -1.08 -1.26 -4.95 116.67 114.72 1l2w s ASP 72 Ca 0.12 -1.10 0.14 0.00 -0.52 0.00 0.00 52.55 51.19 1l2w s ASP 72 Cb 0.17 -2.12 0.67 0.00 -1.46 0.00 0.00 42.92 40.17 1l2w s ASP 72 CO 0.61 -0.50 1.39 2.30 0.52 0.00 0.00 175.17 179.49 1l2w n ILE 73 N 5.12 0.75 1.32 4.11 -5.35 -1.26 -1.98 119.36 122.08 1l2w n ILE 73 Ca -0.11 0.19 0.13 0.00 -0.27 0.00 0.00 62.75 62.68 1l2w n ILE 73 Cb 0.45 -0.96 0.41 0.00 -1.74 0.00 0.00 39.64 37.81 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 -1.35 1.88 -4.71 7.28 4.77 -1.26 -4.75 117.00 118.86 1l2w n LEU 74 Ca 0.06 -0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 54.96 1l2w n LEU 74 Cb 0.13 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1l2w n LEU 74 CO 0.11 0.33 1.35 -0.75 -1.33 0.00 0.00 177.39 177.11 1l2w s LYS 75 N -1.95 4.15 0.69 3.23 2.20 -0.84 -4.67 119.74 122.55 1l2w s LYS 75 Ca 0.35 2.53 -0.13 0.00 -0.36 0.00 0.00 55.97 58.36 1l2w s LYS 75 Cb 0.20 -3.21 0.01 0.00 -1.51 0.00 0.00 37.83 33.33 1l2w s LYS 75 CO 0.32 -0.73 1.10 -1.25 -0.36 0.00 0.00 175.35 174.42 1l2w s PRO 76 N 1.51 2.70 -0.14 4.03 0.04 -1.26 -4.86 135.00 137.02 1l2w s PRO 76 Ca 0.75 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 1l2w s PRO 76 Cb -0.47 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1l2w s PRO 76 CO 0.33 -1.32 -0.03 0.42 0.04 0.00 0.00 177.00 176.44 1l2w s ILE 77 N -2.56 4.00 -0.12 0.56 -1.09 0.18 -4.76 121.20 117.41 1l2w s ILE 77 Ca 0.64 -0.33 -0.18 0.00 -2.23 0.00 0.00 60.65 58.56 1l2w s ILE 77 Cb -0.19 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1l2w s ILE 77 CO 0.46 0.51 0.48 -0.22 -1.23 0.00 0.00 174.94 174.94 1l2w s LEU 78 N 0.13 4.27 0.00 2.97 2.96 -1.26 -1.46 118.68 126.29 1l2w s LEU 78 Ca -0.00 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.75 1l2w s LEU 78 Cb -0.13 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 1l2w s LEU 78 CO 0.03 -0.01 0.23 -1.54 -1.32 0.00 0.00 176.35 173.74 1l2w n SER 79 N 3.74 -0.61 -3.96 3.68 3.41 0.54 -4.96 113.62 115.46 1l2w n SER 79 Ca -0.07 -2.50 -0.15 0.00 -0.26 0.00 0.00 58.87 55.90 1l2w n SER 79 Cb 0.52 1.33 -0.14 0.00 -0.26 0.00 0.00 64.21 65.65 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 -3.09 0.43 -0.71 7.33 -0.11 -1.26 -0.22 118.94 121.31 1l2w s TRP 80 Ca 0.26 -0.13 -0.12 0.00 1.22 0.00 0.00 56.10 57.34 1l2w s TRP 80 Cb 0.01 -0.27 0.18 0.00 -1.50 0.00 0.00 33.47 31.89 1l2w s TRP 80 CO 0.19 -0.02 0.62 0.34 -4.62 0.00 0.00 176.95 173.46 1l2w s ASP 81 N -0.29 6.30 0.20 5.86 2.15 0.24 -4.84 116.67 126.28 1l2w s ASP 81 Ca 0.00 -2.49 -0.13 0.00 0.43 0.00 0.00 52.55 50.37 1l2w s ASP 81 Cb -0.03 -2.13 0.22 0.00 -0.30 0.00 0.00 42.92 40.69 1l2w s ASP 81 CO -0.00 -0.60 1.68 -0.08 -0.17 0.00 0.00 175.17 176.01 1l2w h GLU 82 N 7.90 0.14 -0.58 4.34 4.81 -1.96 0.42 114.58 129.65 1l2w h GLU 82 Ca -0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1l2w h GLU 82 Cb 1.04 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1l2w h GLU 82 CO 0.80 0.09 0.35 0.28 -0.73 0.00 0.00 179.01 179.81 1l2w h VAL 83 N 0.14 1.06 0.00 0.32 2.07 -1.96 -2.76 116.25 115.11 1l2w h VAL 83 Ca 0.27 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1l2w h VAL 83 Cb 0.42 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1l2w h VAL 83 CO -0.43 0.13 -0.56 0.61 0.02 0.00 0.00 177.57 177.33 1l2w n GLY 84 N -1.26 -1.24 2.68 2.17 0.00 -0.99 -4.97 105.19 101.58 1l2w n GLY 84 Ca 0.05 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 1.49 0.03 3.05 -0.02 0.00 0.15 -5.04 105.19 104.84 1l2w n GLY 85 Ca 0.05 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.11 0.69 0.38 1.61 3.76 -1.05 -4.97 115.29 112.61 1l2w s HIS 86 Ca 0.30 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.60 1l2w s HIS 86 Cb -0.13 -0.42 -0.10 0.00 1.11 0.00 0.00 32.58 33.04 1l2w s HIS 86 CO 0.37 -0.05 0.90 -1.25 -0.85 0.00 0.00 174.74 173.85 1l2w s PRO 87 N -1.25 4.24 -0.08 8.40 0.04 -1.26 0.83 135.00 145.91 1l2w s PRO 87 Ca -0.06 1.05 -0.00 0.00 0.04 0.00 0.00 61.00 62.03 1l2w s PRO 87 Cb -0.08 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.13 1l2w s PRO 87 CO 0.00 0.07 -0.05 0.08 0.04 0.00 0.00 177.00 177.15 1l2w s VAL 88 N -2.03 0.75 -0.21 -0.36 1.01 0.69 -4.25 120.40 115.99 1l2w s VAL 88 Ca 0.58 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 1l2w s VAL 88 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1l2w s VAL 88 CO 0.16 0.31 0.09 -0.22 0.00 0.00 0.00 175.10 175.44 1l2w s LEU 89 N 1.57 3.83 0.08 3.92 2.96 -0.29 -0.34 118.68 130.41 1l2w s LEU 89 Ca 0.01 0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 1l2w s LEU 89 Cb -0.13 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1l2w s LEU 89 CO -0.05 0.10 0.22 -1.66 -1.32 0.00 0.00 176.35 173.64 1l2w s TRP 90 N 0.84 0.07 0.14 5.38 1.48 -0.53 -1.07 118.94 125.26 1l2w s TRP 90 Ca 0.05 -0.43 -0.01 0.00 -1.06 0.00 0.00 56.10 54.64 1l2w s TRP 90 Cb -0.13 -0.01 -0.04 0.00 -1.16 0.00 0.00 33.47 32.13 1l2w s TRP 90 CO 0.02 -0.54 0.08 0.54 -4.06 0.00 0.00 176.95 173.00 1l2w s ASN 91 N -2.65 0.27 -0.06 -2.66 2.20 -0.59 0.51 114.94 111.95 1l2w s ASN 91 Ca 0.02 -1.21 -0.28 0.00 -0.94 0.00 0.00 52.86 50.45 1l2w s ASN 91 Cb 0.03 0.32 0.06 0.00 -2.00 0.00 0.00 41.25 39.66 1l2w s ASN 91 CO -0.09 -0.75 0.62 -0.60 -2.94 0.00 0.00 177.10 173.33 1l2w s ARG 92 N -4.06 0.97 0.06 3.55 3.52 -1.26 -1.62 118.95 120.12 1l2w s ARG 92 Ca 0.26 0.25 -0.17 0.00 -0.13 0.00 0.00 55.73 55.93 1l2w s ARG 92 Cb 0.07 0.46 0.03 0.00 -1.56 0.00 0.00 34.95 33.95 1l2w s ARG 92 CO 0.03 -0.29 0.39 1.14 -0.81 0.00 0.00 175.30 175.77 1l2w s GLN 93 N -1.07 0.94 0.15 5.12 -2.07 -0.93 -4.85 119.66 116.94 1l2w s GLN 93 Ca -0.10 -0.46 -0.31 0.00 -1.82 0.00 0.00 55.36 52.67 1l2w s GLN 93 Cb -0.01 0.41 -0.09 0.00 -1.09 0.00 0.00 33.01 32.24 1l2w s GLN 93 CO 0.08 -0.33 1.43 -2.14 -1.32 0.00 0.00 175.29 173.02 1l2w s PRO 94 N -2.77 4.30 0.31 9.60 0.02 -1.26 -0.26 135.00 144.93 1l2w s PRO 94 Ca -0.03 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.17 1l2w s PRO 94 Cb -0.00 -3.21 0.51 0.00 0.02 0.00 0.00 34.50 31.82 1l2w s PRO 94 CO -0.04 -0.46 1.83 1.25 -0.33 0.00 0.00 177.00 179.25 1l2w h LEU 95 N 6.52 0.57 0.00 -5.54 5.85 -0.82 -2.99 115.31 118.90 1l2w h LEU 95 Ca -0.43 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1l2w h LEU 95 Cb 1.21 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1l2w h LEU 95 CO 0.86 0.65 0.00 -0.46 -0.34 0.00 0.00 178.44 179.15 1l2w n ASN 96 N -4.25 0.00 -0.03 1.25 0.23 -1.26 -2.77 115.26 108.43 1l2w n ASN 96 Ca 0.02 -0.07 0.02 0.00 -0.53 0.00 0.00 54.58 54.02 1l2w n ASN 96 Cb 0.27 -0.23 0.03 0.00 -2.08 0.00 0.00 39.78 37.77 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 -1.23 1.90 -4.77 0.53 3.41 -1.13 -4.98 113.62 107.35 1l2w n SER 97 Ca 0.09 -2.19 -0.37 0.00 -0.26 0.00 0.00 58.87 56.14 1l2w n SER 97 Cb 0.12 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.35 3.96 0.00 1.04 1.43 -1.11 -5.05 118.68 117.59 1l2w s LEU 98 Ca 0.08 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1l2w s LEU 98 Cb 0.07 -4.28 -0.00 0.00 0.03 0.00 0.00 46.19 42.00 1l2w s LEU 98 CO 0.01 -1.06 0.01 -0.90 0.23 0.00 0.00 176.35 174.64 1l2w n ASP 99 N -0.66 2.15 0.04 2.29 5.68 -1.26 -4.93 116.55 119.85 1l2w n ASP 99 Ca 0.08 -1.65 0.10 0.00 -0.50 0.00 0.00 54.79 52.83 1l2w n ASP 99 Cb 0.48 0.14 0.55 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 0.38 0.24 -0.18 -1.12 4.21 -2.03 -3.01 115.58 114.07 1l2w h ASN 100 Ca -0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.39 1l2w h ASN 100 Cb 0.37 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1l2w h ASN 100 CO 0.19 0.16 0.00 0.59 -1.29 0.00 0.00 177.43 177.08 1l2w n ASN 101 N -4.47 2.87 0.18 5.81 5.03 -1.26 -4.71 115.26 118.71 1l2w n ASN 101 Ca 0.05 -1.86 -0.14 0.00 0.87 0.00 0.00 54.58 53.50 1l2w n ASN 101 Cb 0.27 -0.11 -0.07 0.00 -1.02 0.00 0.00 39.78 38.85 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 3.71 -0.46 0.05 6.41 0.02 -1.92 -2.18 113.55 119.18 1l2w h SER 102 Ca 0.00 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1l2w h SER 102 Cb 0.83 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1l2w h SER 102 CO 0.00 -0.29 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.14 1l2w h LEU 103 N -0.45 0.27 -0.28 5.07 3.38 -1.84 -1.00 115.31 120.46 1l2w h LEU 103 Ca -0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1l2w h LEU 103 Cb 0.38 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1l2w h LEU 103 CO 0.02 0.49 -0.03 0.22 0.09 0.00 0.00 178.44 179.23 1l2w h TYR 104 N 0.26 0.57 -0.58 1.13 5.03 -1.86 -1.17 116.97 120.36 1l2w h TYR 104 Ca 0.05 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.22 1l2w h TYR 104 Cb 0.50 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 1l2w h TYR 104 CO 0.01 0.69 0.27 1.15 -1.32 0.00 0.00 178.16 178.96 1l2w h THR 105 N 0.29 1.21 -0.51 1.81 2.02 -1.16 -0.83 112.91 115.75 1l2w h THR 105 Ca 0.08 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1l2w h THR 105 Cb 0.48 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1l2w h THR 105 CO 0.02 0.24 0.31 -0.61 0.37 0.00 0.00 175.52 175.85 1l2w h GLN 106 N 0.78 0.68 -0.51 6.66 4.15 -1.07 -0.30 115.11 125.51 1l2w h GLN 106 Ca 0.20 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 1l2w h GLN 106 Cb 0.13 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1l2w h GLN 106 CO -0.02 0.49 0.12 1.25 -1.93 0.00 0.00 178.83 178.73 1l2w h LEU 107 N 0.68 0.78 -0.26 -2.39 5.85 -0.92 -1.05 115.31 118.00 1l2w h LEU 107 Ca 0.18 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1l2w h LEU 107 Cb -0.02 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1l2w h LEU 107 CO -0.04 0.82 0.12 -0.08 -0.34 0.00 0.00 178.44 178.92 1l2w h GLU 108 N 0.71 0.25 -0.55 1.25 4.81 -0.80 -1.46 114.58 118.80 1l2w h GLU 108 Ca 0.16 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1l2w h GLU 108 Cb 0.34 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1l2w h GLU 108 CO 0.00 0.17 0.29 0.52 -0.73 0.00 0.00 179.01 179.26 1l2w h MET 109 N 0.26 0.76 -0.08 1.92 2.86 -0.83 -0.75 114.93 119.05 1l2w h MET 109 Ca 0.11 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1l2w h MET 109 Cb 0.04 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 1l2w h MET 109 CO -0.09 0.57 -0.01 1.25 1.06 0.00 0.00 176.91 179.69 1l2w h LEU 110 N 0.76 0.15 -0.54 1.22 5.85 -0.57 -1.57 115.31 120.62 1l2w h LEU 110 Ca 0.19 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1l2w h LEU 110 Cb 0.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1l2w h LEU 110 CO -0.03 0.47 0.05 -0.37 -0.34 0.00 0.00 178.44 178.22 1l2w h VAL 111 N -0.16 1.26 -0.26 1.05 -1.51 -1.10 -0.98 116.25 114.55 1l2w h VAL 111 Ca 0.02 -1.01 -0.01 0.00 -1.23 0.00 0.00 66.70 64.47 1l2w h VAL 111 Cb 0.40 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 1l2w h VAL 111 CO 0.01 0.36 0.13 1.56 -1.23 0.00 0.00 177.57 178.40 1l2w h GLN 112 N 0.79 0.35 -0.41 5.19 4.20 -1.12 0.50 115.11 124.61 1l2w h GLN 112 Ca 0.16 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.70 1l2w h GLN 112 Cb 0.46 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1l2w h GLN 112 CO 0.02 0.27 -0.30 0.78 -0.67 0.00 0.00 178.83 178.93 1l2w h GLY 113 N 0.44 0.98 0.92 3.46 0.00 -0.60 -2.29 103.07 105.99 1l2w h GLY 113 Ca 0.09 -0.93 -0.06 0.00 0.00 0.00 0.00 47.33 46.43 1l2w h GLY 113 CO -0.01 0.84 -0.02 0.00 0.00 0.00 0.00 176.54 177.35 1l2w h ALA 114 N 0.88 0.47 -0.74 3.60 0.00 0.22 -3.03 119.26 120.65 1l2w h ALA 114 Ca 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1l2w h ALA 114 Cb 0.87 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1l2w h ALA 114 CO 0.08 0.25 0.36 0.93 0.00 0.00 0.00 179.25 180.86 1l2w h GLU 115 N 0.43 1.06 -0.90 0.00 5.08 -0.95 -2.53 114.58 116.77 1l2w h GLU 115 Ca 0.10 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1l2w h GLU 115 Cb 0.48 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1l2w h GLU 115 CO 0.02 0.81 0.59 0.00 -1.00 0.00 0.00 179.01 179.44 1l2w h ARG 116 N 1.05 1.12 -0.34 2.33 3.08 -1.30 -1.79 114.38 118.53 1l2w h ARG 116 Ca 0.26 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1l2w h ARG 116 Cb 0.10 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1l2w h ARG 116 CO -0.03 0.74 0.00 1.28 -1.07 0.00 0.00 179.97 180.89 1l2w n LEU 117 N -4.43 0.34 0.00 3.04 4.77 -0.95 -5.13 117.00 114.64 1l2w n LEU 117 Ca 0.11 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1l2w n LEU 117 Cb 0.08 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1l2w n LEU 117 CO 0.35 0.08 0.12 0.00 -1.33 0.00 0.00 177.39 176.61