#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ane s ILE 9 N 0.00 0.67 -0.16 0.55 -4.36 -0.22 -4.90 121.20 112.77 2ane s ILE 9 Ca 0.00 -1.88 -0.08 0.00 -0.26 0.00 0.00 60.65 58.43 2ane s ILE 9 Cb 0.00 -1.61 -0.05 0.00 1.25 0.00 0.00 42.46 42.05 2ane s ILE 9 CO 0.00 -0.85 0.13 -0.70 0.24 0.00 0.00 174.94 173.76 2ane s GLU 10 N -3.70 3.83 -0.15 0.37 2.56 -1.26 -0.67 118.70 119.68 2ane s GLU 10 Ca 0.10 -0.18 -0.26 0.00 0.00 0.00 0.00 54.97 54.63 2ane s GLU 10 Cb 0.04 -3.30 0.07 0.00 2.00 0.00 0.00 34.13 32.94 2ane s GLU 10 CO -0.05 0.52 0.66 -1.50 -0.56 0.00 0.00 175.26 174.33 2ane s ILE 11 N -0.29 0.00 0.49 -3.70 2.07 -0.49 -4.98 121.20 114.30 2ane s ILE 11 Ca 0.11 -0.03 -0.22 0.00 -1.41 0.00 0.00 60.65 59.10 2ane s ILE 11 Cb -0.11 -0.95 -0.06 0.00 0.13 0.00 0.00 42.46 41.46 2ane s ILE 11 CO 0.01 -0.02 1.23 -2.84 -1.91 0.00 0.00 174.94 171.41 2ane s PRO 12 N -0.44 3.53 -0.11 3.50 0.02 -1.26 -1.53 135.00 138.71 2ane s PRO 12 Ca -0.06 1.92 -0.00 0.00 0.02 0.00 0.00 61.00 62.88 2ane s PRO 12 Cb -0.03 -2.34 -0.02 0.00 0.02 0.00 0.00 34.50 32.14 2ane s PRO 12 CO 0.05 -0.78 -0.10 0.08 -0.33 0.00 0.00 177.00 175.93 2ane s VAL 13 N -1.48 3.38 -0.25 3.83 1.01 -0.70 -0.75 120.40 125.45 2ane s VAL 13 Ca 0.67 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2ane s VAL 13 Cb -0.32 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.70 2ane s VAL 13 CO 0.39 0.54 -0.12 -0.22 0.00 0.00 0.00 175.10 175.69 2ane s LEU 14 N -0.03 3.23 0.29 3.92 2.96 -0.32 -4.40 118.68 124.32 2ane s LEU 14 Ca -0.02 -1.29 -0.29 0.00 -0.22 0.00 0.00 54.13 52.32 2ane s LEU 14 Cb -0.14 -1.52 -0.09 0.00 0.50 0.00 0.00 46.19 44.94 2ane s LEU 14 CO 0.03 -0.17 1.06 -2.16 -1.32 0.00 0.00 176.35 173.79 2ane s PRO 15 N 1.14 4.61 -0.00 0.98 0.04 -1.26 -2.80 135.00 137.71 2ane s PRO 15 Ca -0.07 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.73 2ane s PRO 15 Cb -0.19 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 2ane s PRO 15 CO -0.06 0.22 -0.20 -0.51 0.04 0.00 0.00 177.00 176.49 2ane s LEU 16 N -1.59 2.07 -0.21 -3.56 1.43 0.11 -4.94 118.68 111.99 2ane s LEU 16 Ca 0.46 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 2ane s LEU 16 Cb -0.29 -0.99 -0.16 0.00 0.03 0.00 0.00 46.19 44.78 2ane s LEU 16 CO 0.37 0.22 -0.13 -1.14 0.23 0.00 0.00 176.35 175.90 2ane n ARG 17 N 2.44 0.72 -0.00 1.70 0.63 -1.26 -1.17 116.66 119.72 2ane n ARG 17 Ca -0.15 0.09 0.11 0.00 -0.92 0.00 0.00 57.85 56.97 2ane n ARG 17 Cb 0.53 -1.44 -0.13 0.00 0.45 0.00 0.00 32.46 31.88 2ane n ARG 17 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2ane n ASP 18 N -3.01 0.51 -3.93 6.15 8.00 -1.26 -4.86 116.55 118.15 2ane n ASP 18 Ca -0.36 -0.45 -0.09 0.00 0.71 0.00 0.00 54.79 54.59 2ane n ASP 18 Cb 0.95 1.42 -0.09 0.00 -0.02 0.00 0.00 41.12 43.37 2ane n ASP 18 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ane s VAL 19 N -3.26 0.13 -0.32 2.53 -7.23 -1.26 -5.12 120.40 105.87 2ane s VAL 19 Ca 0.00 -1.05 -0.06 0.00 -1.81 0.00 0.00 61.98 59.06 2ane s VAL 19 Cb 0.15 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.30 2ane s VAL 19 CO 0.88 -0.58 0.08 -0.69 -0.31 0.00 0.00 175.10 174.48 2ane s VAL 20 N -2.43 3.75 -0.14 1.32 1.01 -1.26 -4.88 120.40 117.76 2ane s VAL 20 Ca -0.06 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 2ane s VAL 20 Cb -0.02 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2ane s VAL 20 CO -0.04 -0.07 0.42 -0.69 0.00 0.00 0.00 175.10 174.72 2ane s VAL 21 N 1.42 5.22 0.32 2.92 1.01 -1.26 -5.08 120.40 124.95 2ane s VAL 21 Ca -0.00 0.81 0.08 0.00 0.00 0.00 0.00 61.98 62.87 2ane s VAL 21 Cb -0.19 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2ane s VAL 21 CO 0.02 0.32 0.17 -0.31 0.00 0.00 0.00 175.10 175.30 2ane s TYR 22 N 0.73 2.79 0.47 5.22 2.02 -1.26 -4.52 117.35 122.81 2ane s TYR 22 Ca 0.22 -0.32 -0.23 0.00 -0.37 0.00 0.00 57.07 56.38 2ane s TYR 22 Cb -0.14 -1.60 -0.09 0.00 -0.40 0.00 0.00 41.96 39.73 2ane s TYR 22 CO 0.08 0.36 1.08 -2.30 -1.57 0.00 0.00 175.55 173.20 2ane n PRO 23 N -1.17 1.39 0.00 -1.71 -0.02 -1.26 -1.86 135.00 130.37 2ane n PRO 23 Ca -0.04 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2ane n PRO 23 Cb 0.60 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2ane n PRO 23 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ane n HIS 24 N -0.77 0.00 -2.58 6.00 8.25 0.37 -4.89 115.22 121.60 2ane n HIS 24 Ca 0.10 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.17 2ane n HIS 24 Cb 0.42 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.47 2ane n HIS 24 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ane s MET 25 N 0.00 4.56 -0.08 -0.41 -1.94 -0.78 -4.76 119.30 115.89 2ane s MET 25 Ca 0.00 1.62 0.04 0.00 -1.71 0.00 0.00 55.69 55.64 2ane s MET 25 Cb 0.00 -3.00 -0.01 0.00 2.01 0.00 0.00 34.83 33.82 2ane s MET 25 CO 0.00 0.19 -0.20 0.08 -0.01 0.00 0.00 175.02 175.08 2ane s VAL 26 N -1.34 2.49 -0.04 -6.03 1.01 -1.26 -0.50 120.40 114.73 2ane s VAL 26 Ca 0.48 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 2ane s VAL 26 Cb -0.27 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.20 2ane s VAL 26 CO 0.34 0.56 0.55 -0.51 0.00 0.00 0.00 175.10 176.04 2ane s ILE 27 N -0.07 0.02 -0.22 2.22 2.07 -0.47 -5.00 121.20 119.75 2ane s ILE 27 Ca -0.05 -0.17 -0.23 0.00 -1.41 0.00 0.00 60.65 58.80 2ane s ILE 27 Cb -0.14 -0.86 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2ane s ILE 27 CO 0.04 -0.09 0.73 -2.84 -1.91 0.00 0.00 174.94 170.87 2ane s PRO 28 N -1.24 4.20 -0.04 3.50 0.02 -1.26 -1.64 135.00 138.54 2ane s PRO 28 Ca -0.12 0.77 0.01 0.00 0.02 0.00 0.00 61.00 61.68 2ane s PRO 28 Cb -0.02 -3.61 -0.03 0.00 0.02 0.00 0.00 34.50 30.86 2ane s PRO 28 CO 0.08 -0.37 -0.03 -0.51 -0.33 0.00 0.00 177.00 175.83 2ane s LEU 29 N 2.35 3.36 -0.18 -5.54 1.43 0.17 -4.94 118.68 115.33 2ane s LEU 29 Ca 0.32 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 2ane s LEU 29 Cb -0.16 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2ane s LEU 29 CO 0.09 0.33 0.01 -0.36 0.23 0.00 0.00 176.35 176.66 2ane s PHE 30 N -0.94 3.11 -0.10 0.29 0.08 -1.26 0.27 117.98 119.43 2ane s PHE 30 Ca 0.15 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 2ane s PHE 30 Cb -0.11 -2.05 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2ane s PHE 30 CO 0.05 -0.03 -0.06 0.08 -0.10 0.00 0.00 175.22 175.16 2ane s VAL 31 N 0.59 0.87 -0.02 -0.44 1.01 -0.03 -5.00 120.40 117.38 2ane s VAL 31 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.85 2ane s VAL 31 Cb -0.14 -0.92 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 2ane s VAL 31 CO 0.02 0.34 0.10 0.61 0.00 0.00 0.00 175.10 176.17 2ane n GLY 32 N 4.93 -0.29 3.70 4.51 0.00 -1.26 -1.03 105.19 115.75 2ane n GLY 32 Ca -0.12 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2ane n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ane s ARG 33 N -2.35 4.22 0.22 1.61 0.52 -1.26 -4.89 118.95 117.02 2ane s ARG 33 Ca -0.02 2.29 -0.09 0.00 -0.52 0.00 0.00 55.73 57.39 2ane s ARG 33 Cb 0.03 -3.39 0.34 0.00 0.52 0.00 0.00 34.95 32.45 2ane s ARG 33 CO 0.26 -0.64 1.70 0.93 0.02 0.00 0.00 175.30 177.56 2ane h GLU 34 N 7.55 0.25 -0.84 3.54 5.08 -1.97 0.32 114.58 128.50 2ane h GLU 34 Ca -0.42 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2ane h GLU 34 Cb 1.20 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2ane h GLU 34 CO 0.91 0.16 0.49 -0.22 -1.00 0.00 0.00 179.01 179.36 2ane h LYS 35 N 0.26 1.14 -0.15 2.33 3.64 -1.90 -0.26 116.57 121.62 2ane h LYS 35 Ca 0.34 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.46 2ane h LYS 35 Cb 0.53 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2ane h LYS 35 CO -0.44 0.81 -0.55 0.77 -2.27 0.00 0.00 179.45 177.77 2ane h SER 36 N 1.16 0.49 -0.58 4.20 0.02 -1.34 -1.13 113.55 116.37 2ane h SER 36 Ca 0.30 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2ane h SER 36 Cb -0.03 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2ane h SER 36 CO -0.05 0.94 0.12 0.40 -1.14 0.00 0.00 176.83 177.09 2ane h ILE 37 N 0.34 1.25 -0.21 3.27 1.08 -0.58 -0.83 117.51 121.83 2ane h ILE 37 Ca 0.01 -0.94 -0.02 0.00 -0.39 0.00 0.00 64.86 63.52 2ane h ILE 37 Cb 1.07 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 2ane h ILE 37 CO 0.10 0.34 0.03 0.03 -0.69 0.00 0.00 178.15 177.96 2ane h ARG 38 N 0.84 0.30 -0.43 2.37 3.08 -0.74 0.14 114.38 119.93 2ane h ARG 38 Ca 0.18 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 2ane h ARG 38 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2ane h ARG 38 CO 0.01 0.30 0.17 0.00 -1.07 0.00 0.00 179.97 179.37 2ane h LEU 40 N 0.55 0.52 -1.22 0.00 3.38 0.24 -2.81 115.31 115.97 2ane h LEU 40 Ca 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ane h LEU 40 Cb 0.20 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2ane h LEU 40 CO -0.01 0.62 0.44 -0.33 0.09 0.00 0.00 178.44 179.26 2ane h GLU 41 N 0.39 0.98 -0.30 1.13 5.08 -0.60 -0.47 114.58 120.79 2ane h GLU 41 Ca 0.11 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2ane h GLU 41 Cb 0.31 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2ane h GLU 41 CO 0.00 0.68 0.17 0.00 -1.00 0.00 0.00 179.01 178.86 2ane h ALA 42 N 1.50 0.38 -0.42 3.43 0.00 -1.13 -1.88 119.26 121.13 2ane h ALA 42 Ca 0.26 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2ane h ALA 42 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2ane h ALA 42 CO -0.05 -0.10 0.25 0.00 0.00 0.00 0.00 179.25 179.35 2ane h ALA 43 N 1.05 0.54 -0.47 0.00 0.00 -1.04 -2.06 119.26 117.28 2ane h ALA 43 Ca 0.10 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2ane h ALA 43 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2ane h ALA 43 CO -0.02 -0.07 0.31 0.52 0.00 0.00 0.00 179.25 179.99 2ane h MET 44 N 0.51 0.37 0.00 0.00 2.07 -0.80 0.38 114.93 117.46 2ane h MET 44 Ca 0.17 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 2ane h MET 44 Cb 0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.66 2ane h MET 44 CO -0.08 0.25 0.00 -0.25 1.07 0.00 0.00 176.91 177.90 2ane n ASP 45 N -4.47 0.00 0.00 1.22 8.00 -0.73 -4.53 116.55 116.03 2ane n ASP 45 Ca 0.06 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.14 2ane n ASP 45 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2ane n ASP 45 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2ane n HIS 46 N -0.70 0.00 -0.13 1.24 -0.00 -0.47 -5.01 115.22 110.15 2ane n HIS 46 Ca 0.08 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.37 2ane n HIS 46 Cb 0.04 0.00 0.30 0.00 -0.12 0.00 0.00 29.99 30.20 2ane n HIS 46 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 2ane n ASP 47 N 0.00 3.61 -0.85 0.26 5.75 -1.22 -4.95 116.55 119.15 2ane n ASP 47 Ca 0.00 -2.00 -0.11 0.00 -0.01 0.00 0.00 54.79 52.67 2ane n ASP 47 Cb 0.00 -0.44 -0.05 0.00 -1.03 0.00 0.00 41.12 39.60 2ane n ASP 47 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ane n LYS 48 N 1.48 -0.86 -3.77 0.11 5.02 -0.00 -4.90 118.16 115.24 2ane n LYS 48 Ca 0.22 0.87 -0.36 0.00 -2.02 0.00 0.00 58.31 57.02 2ane n LYS 48 Cb 0.57 -4.87 -0.07 0.00 -0.02 0.00 0.00 35.03 30.64 2ane n LYS 48 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ane s LYS 49 N -2.87 3.82 0.08 1.97 1.02 -1.26 -1.17 119.74 121.34 2ane s LYS 49 Ca 0.00 -0.10 0.05 0.00 0.02 0.00 0.00 55.97 55.93 2ane s LYS 49 Cb 0.00 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2ane s LYS 49 CO 0.00 0.55 -0.12 0.96 -0.92 0.00 0.00 175.35 175.81 2ane s ILE 50 N -0.39 1.02 -0.29 2.17 -0.00 -0.24 -4.48 121.20 119.00 2ane s ILE 50 Ca 0.13 -1.41 -0.16 0.00 -0.00 0.00 0.00 60.65 59.22 2ane s ILE 50 Cb -0.12 -1.13 -0.03 0.00 -0.00 0.00 0.00 42.46 41.18 2ane s ILE 50 CO 0.02 -0.35 0.41 -0.32 -0.00 0.00 0.00 174.94 174.71 2ane s MET 51 N -2.08 3.92 -0.21 0.37 -2.45 0.07 -0.20 119.30 118.72 2ane s MET 51 Ca 0.00 0.01 -0.13 0.00 -1.25 0.00 0.00 55.69 54.32 2ane s MET 51 Cb -0.08 -3.69 -0.04 0.00 1.25 0.00 0.00 34.83 32.27 2ane s MET 51 CO 0.02 -0.37 0.28 -0.51 1.05 0.00 0.00 175.02 175.49 2ane s LEU 52 N 2.15 4.15 -0.01 4.11 1.02 0.86 -1.18 118.68 129.79 2ane s LEU 52 Ca 0.16 0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.66 2ane s LEU 52 Cb -0.16 -2.32 0.01 0.00 0.02 0.00 0.00 46.19 43.74 2ane s LEU 52 CO 0.10 0.01 -0.01 -0.69 0.02 0.00 0.00 176.35 175.79 2ane s VAL 53 N 1.06 0.11 0.40 -1.59 1.01 -1.12 -0.73 120.40 119.54 2ane s VAL 53 Ca 0.14 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 2ane s VAL 53 Cb -0.14 -0.14 -0.09 0.00 0.00 0.00 0.00 36.38 36.01 2ane s VAL 53 CO 0.06 0.07 1.04 0.00 0.00 0.00 0.00 175.10 176.26 2ane s ALA 54 N 0.35 3.07 0.16 5.51 0.00 -1.26 -0.71 121.76 128.89 2ane s ALA 54 Ca -0.03 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.69 2ane s ALA 54 Cb -0.05 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2ane s ALA 54 CO -0.01 -0.20 -0.07 1.14 0.00 0.00 0.00 175.76 176.62 2ane s GLN 55 N -2.56 2.17 0.32 0.00 -2.07 -0.32 -1.96 119.66 115.24 2ane s GLN 55 Ca 0.58 -1.17 -0.02 0.00 -1.82 0.00 0.00 55.36 52.93 2ane s GLN 55 Cb -0.21 -2.25 -0.04 0.00 -1.09 0.00 0.00 33.01 29.42 2ane s GLN 55 CO 0.26 0.46 0.56 0.15 -1.32 0.00 0.00 175.29 175.40 2ane s LYS 56 N -2.71 3.56 -0.07 9.60 1.02 0.18 -4.87 119.74 126.45 2ane s LYS 56 Ca 0.25 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.80 2ane s LYS 56 Cb -0.09 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 2ane s LYS 56 CO 0.16 0.17 1.64 -2.00 -0.92 0.00 0.00 175.35 174.40 2ane s GLU 57 N -3.93 4.16 0.40 1.68 2.12 -1.26 -4.94 118.70 116.93 2ane s GLU 57 Ca 0.42 2.14 0.06 0.00 0.36 0.00 0.00 54.97 57.95 2ane s GLU 57 Cb -0.10 -3.98 -0.07 0.00 0.26 0.00 0.00 34.13 30.24 2ane s GLU 57 CO 0.33 -0.87 0.02 0.00 -0.54 0.00 0.00 175.26 174.20 2ane s ALA 58 N 4.11 3.09 -0.33 6.30 0.00 -1.26 -5.03 121.76 128.63 2ane s ALA 58 Ca 0.73 -2.01 0.20 0.00 0.00 0.00 0.00 51.96 50.88 2ane s ALA 58 Cb -0.32 0.28 0.23 0.00 0.00 0.00 0.00 23.12 23.31 2ane s ALA 58 CO 0.29 -0.16 1.52 0.77 0.00 0.00 0.00 175.76 178.19 2ane h SER 59 N 1.80 0.00 -3.36 0.00 0.02 -2.00 -3.44 113.55 106.57 2ane h SER 59 Ca -0.43 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.87 2ane h SER 59 Cb 1.25 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.59 2ane h SER 59 CO 0.77 0.17 -0.66 -0.89 -1.14 0.00 0.00 176.83 175.09 2ane s THR 60 N -3.13 4.00 -2.02 -2.27 2.01 -1.26 -5.00 115.64 107.98 2ane s THR 60 Ca 0.06 -0.34 0.16 0.00 0.31 0.00 0.00 61.69 61.88 2ane s THR 60 Cb 0.06 -2.72 0.45 0.00 0.01 0.00 0.00 72.50 70.29 2ane s THR 60 CO 0.70 0.53 1.60 -0.90 -0.69 0.00 0.00 174.62 175.86 2ane n ASP 61 N 3.06 0.14 -3.98 3.53 5.75 -1.26 -4.05 116.55 119.73 2ane n ASP 61 Ca -0.18 -1.53 -0.31 0.00 -0.01 0.00 0.00 54.79 52.76 2ane n ASP 61 Cb 0.53 -0.01 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 2ane n ASP 61 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2ane s GLU 62 N -1.98 2.40 0.23 0.11 1.03 -1.26 -5.08 118.70 114.15 2ane s GLU 62 Ca 0.24 -2.91 -0.28 0.00 0.03 0.00 0.00 54.97 52.06 2ane s GLU 62 Cb 0.11 -3.51 -0.16 0.00 -0.80 0.00 0.00 34.13 29.77 2ane s GLU 62 CO 0.19 -1.19 0.69 -2.30 -1.33 0.00 0.00 175.26 171.32 2ane n PRO 63 N 2.74 0.48 -3.00 -4.83 -0.02 -1.26 -5.02 135.00 124.09 2ane n PRO 63 Ca 0.12 0.17 -0.18 0.00 -2.02 0.00 0.00 63.50 61.59 2ane n PRO 63 Cb 0.35 -1.30 0.02 0.00 -0.02 0.00 0.00 33.50 32.55 2ane n PRO 63 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2ane s GLY 64 N -0.84 1.91 0.41 -1.23 0.00 -1.26 -4.92 107.32 101.39 2ane s GLY 64 Ca 0.62 -1.73 0.17 0.00 0.00 0.00 0.00 44.72 43.78 2ane s GLY 64 CO 0.57 -1.51 1.84 -0.24 0.00 0.00 0.00 173.10 173.77 2ane h VAL 65 N 0.55 0.66 0.00 1.40 3.04 -1.93 0.55 116.25 120.52 2ane h VAL 65 Ca -0.39 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2ane h VAL 65 Cb 1.28 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2ane h VAL 65 CO 0.45 0.08 0.00 0.59 -1.01 0.00 0.00 177.57 177.67 2ane n ASN 66 N -4.53 0.00 -1.13 3.17 3.02 -1.26 -2.52 115.26 112.01 2ane n ASN 66 Ca 0.20 0.35 0.11 0.00 -0.03 0.00 0.00 54.58 55.21 2ane n ASN 66 Cb 0.72 -0.44 0.26 0.00 -0.61 0.00 0.00 39.78 39.71 2ane n ASN 66 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ane n ASP 67 N -1.44 3.35 -4.21 6.41 8.00 0.19 -4.89 116.55 123.95 2ane n ASP 67 Ca 0.08 -1.97 -0.29 0.00 0.71 0.00 0.00 54.79 53.32 2ane n ASP 67 Cb 0.26 -0.30 -0.16 0.00 -0.02 0.00 0.00 41.12 40.90 2ane n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ane s LEU 68 N -1.34 2.01 0.92 0.64 1.43 -1.05 -0.65 118.68 120.64 2ane s LEU 68 Ca 0.40 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 2ane s LEU 68 Cb 0.23 -1.18 0.15 0.00 0.03 0.00 0.00 46.19 45.41 2ane s LEU 68 CO 0.31 0.22 1.14 -0.36 0.23 0.00 0.00 176.35 177.88 2ane s PHE 69 N -0.16 1.67 -0.52 0.29 0.40 -0.83 -4.92 117.98 113.91 2ane s PHE 69 Ca -0.01 1.75 0.23 0.00 -0.60 0.00 0.00 56.93 58.30 2ane s PHE 69 Cb -0.12 -3.31 0.11 0.00 0.51 0.00 0.00 43.02 40.21 2ane s PHE 69 CO 0.02 -2.80 1.09 0.25 0.70 0.00 0.00 175.22 174.49 2ane n THR 70 N -4.22 0.30 -4.72 0.64 -2.24 -1.26 -4.83 114.28 97.95 2ane n THR 70 Ca 0.11 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 2ane n THR 70 Cb 0.52 -0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 2ane n THR 70 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2ane s VAL 71 N -3.23 3.37 0.00 2.28 1.01 -1.26 -0.09 120.40 122.47 2ane s VAL 71 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2ane s VAL 71 Cb 0.13 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2ane s VAL 71 CO 0.78 0.56 0.00 0.61 0.00 0.00 0.00 175.10 177.05 2ane n GLY 72 N 2.73 4.68 2.94 4.51 0.00 -0.24 -4.69 105.19 115.13 2ane n GLY 72 Ca -0.18 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 2ane n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ane s THR 73 N -1.14 0.70 -0.02 2.61 2.01 0.10 -1.40 115.64 118.50 2ane s THR 73 Ca 0.00 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 2ane s THR 73 Cb 0.00 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2ane s THR 73 CO 0.00 0.25 0.94 -0.69 -0.69 0.00 0.00 174.62 174.43 2ane s VAL 74 N 0.69 4.89 0.23 3.82 1.01 0.31 -0.10 120.40 131.26 2ane s VAL 74 Ca -0.11 1.96 0.08 0.00 0.00 0.00 0.00 61.98 63.91 2ane s VAL 74 Cb -0.13 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 2ane s VAL 74 CO 0.01 0.16 -0.12 0.00 0.00 0.00 0.00 175.10 175.15 2ane s ALA 75 N 1.06 2.16 -0.09 5.51 0.00 0.71 -0.93 121.76 130.19 2ane s ALA 75 Ca 0.49 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 2ane s ALA 75 Cb -0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2ane s ALA 75 CO 0.26 0.04 -0.04 0.45 0.00 0.00 0.00 175.76 176.47 2ane s SER 76 N -3.37 4.89 -0.33 0.00 0.15 -0.38 -1.08 113.70 113.58 2ane s SER 76 Ca 0.25 0.02 -0.26 0.00 0.70 0.00 0.00 55.95 56.66 2ane s SER 76 Cb 0.00 -1.40 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 2ane s SER 76 CO 0.09 0.33 0.92 -0.63 1.20 0.00 0.00 173.24 175.14 2ane s ILE 77 N -0.60 4.64 -0.05 6.45 -1.09 -0.31 -1.52 121.20 128.72 2ane s ILE 77 Ca 0.09 1.34 0.13 0.00 -2.23 0.00 0.00 60.65 59.98 2ane s ILE 77 Cb -0.12 -4.29 -0.20 0.00 -1.58 0.00 0.00 42.46 36.27 2ane s ILE 77 CO 0.02 -0.42 0.76 -0.07 -1.23 0.00 0.00 174.94 174.00 2ane h LEU 78 N 9.85 0.00 -7.00 2.97 4.07 -1.08 -3.48 115.31 120.63 2ane h LEU 78 Ca -0.23 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.76 2ane h LEU 78 Cb 1.08 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 42.59 2ane h LEU 78 CO 0.96 0.89 0.36 -1.58 -1.08 0.00 0.00 178.44 177.98 2ane s GLN 79 N -2.69 0.68 -0.12 1.13 0.74 -1.15 -4.97 119.66 113.28 2ane s GLN 79 Ca -0.04 0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.92 2ane s GLN 79 Cb 0.08 0.33 0.02 0.00 1.10 0.00 0.00 33.01 34.54 2ane s GLN 79 CO 0.82 -0.14 -0.10 -1.64 -0.55 0.00 0.00 175.29 173.68 2ane s MET 80 N -0.23 1.81 -0.09 1.67 -1.94 -1.26 -0.62 119.30 118.64 2ane s MET 80 Ca -0.01 -0.38 0.03 0.00 -1.71 0.00 0.00 55.69 53.63 2ane s MET 80 Cb -0.03 -1.75 0.00 0.00 2.01 0.00 0.00 34.83 35.06 2ane s MET 80 CO -0.00 -0.22 -0.21 -1.17 -0.01 0.00 0.00 175.02 173.41 2ane s LEU 81 N 1.51 1.96 0.27 -0.03 2.96 -0.03 -4.98 118.68 120.34 2ane s LEU 81 Ca 0.03 -0.49 -0.26 0.00 -0.22 0.00 0.00 54.13 53.19 2ane s LEU 81 Cb -0.13 -1.25 -0.09 0.00 0.50 0.00 0.00 46.19 45.22 2ane s LEU 81 CO -0.08 0.12 0.89 -0.54 -1.32 0.00 0.00 176.35 175.43 2ane s LYS 82 N 0.45 4.60 0.08 1.98 1.02 -1.26 -0.49 119.74 126.12 2ane s LYS 82 Ca -0.17 1.28 0.05 0.00 0.02 0.00 0.00 55.97 57.15 2ane s LYS 82 Cb -0.17 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2ane s LYS 82 CO 0.07 0.38 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.32 2ane s LEU 83 N -1.74 3.25 0.64 3.17 1.43 0.76 -4.89 118.68 121.31 2ane s LEU 83 Ca 0.45 -0.26 0.23 0.00 -1.03 0.00 0.00 54.13 53.53 2ane s LEU 83 Cb -0.21 -1.99 1.21 0.00 0.03 0.00 0.00 46.19 45.23 2ane s LEU 83 CO 0.26 0.19 1.68 -0.65 0.23 0.00 0.00 176.35 178.06 2ane h PRO 84 N 3.68 0.00 -0.56 1.29 0.11 -1.97 -0.68 132.00 133.87 2ane h PRO 84 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ane h PRO 84 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2ane h PRO 84 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 2ane n ASP 85 N -3.02 3.04 0.00 -2.05 3.85 -1.26 -4.91 116.55 112.21 2ane n ASP 85 Ca 0.03 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 2ane n ASP 85 Cb 0.66 -0.38 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 2ane n ASP 85 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ane n GLY 86 N 1.33 0.76 3.82 6.12 0.00 -0.26 -5.05 105.19 111.90 2ane n GLY 86 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2ane n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ane s THR 87 N -2.22 1.89 0.04 2.61 -4.23 -1.24 -4.94 115.64 107.56 2ane s THR 87 Ca 0.00 -1.64 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 2ane s THR 87 Cb 0.00 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2ane s THR 87 CO 0.00 0.00 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.16 2ane s VAL 88 N -2.70 1.86 -0.21 2.29 1.01 -0.20 -0.17 120.40 122.28 2ane s VAL 88 Ca 0.33 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2ane s VAL 88 Cb 0.01 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 2ane s VAL 88 CO 0.19 0.28 -0.09 -0.75 0.00 0.00 0.00 175.10 174.73 2ane s LYS 89 N -1.19 3.27 -0.11 2.72 2.20 0.36 -0.85 119.74 126.14 2ane s LYS 89 Ca 0.09 -0.68 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 2ane s LYS 89 Cb -0.09 -2.88 -0.00 0.00 -1.51 0.00 0.00 37.83 33.35 2ane s LYS 89 CO 0.02 -0.20 -0.21 0.54 -0.36 0.00 0.00 175.35 175.15 2ane s VAL 90 N 1.41 2.35 -0.26 4.02 0.11 0.14 -0.85 120.40 127.32 2ane s VAL 90 Ca 0.05 -0.91 -0.22 0.00 -2.93 0.00 0.00 61.98 57.98 2ane s VAL 90 Cb -0.14 -1.93 -0.01 0.00 -1.53 0.00 0.00 36.38 32.77 2ane s VAL 90 CO -0.06 0.55 0.70 -0.22 -3.33 0.00 0.00 175.10 172.74 2ane s LEU 91 N 0.39 4.08 0.25 2.54 1.98 0.21 0.42 118.68 128.53 2ane s LEU 91 Ca -0.16 0.78 0.11 0.00 -2.89 0.00 0.00 54.13 51.97 2ane s LEU 91 Cb -0.17 -2.97 -0.05 0.00 0.66 0.00 0.00 46.19 43.66 2ane s LEU 91 CO 0.07 -0.44 -0.19 0.68 -1.89 0.00 0.00 176.35 174.58 2ane s VAL 92 N 2.65 2.25 -0.13 1.68 -7.23 -0.65 -0.41 120.40 118.55 2ane s VAL 92 Ca 0.29 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2ane s VAL 92 Cb -0.15 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.62 2ane s VAL 92 CO 0.09 -0.42 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.65 2ane s GLU 93 N -3.42 1.97 0.32 4.82 2.12 -0.58 -1.37 118.70 122.56 2ane s GLU 93 Ca 0.26 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 2ane s GLU 93 Cb -0.04 -1.88 -0.10 0.00 0.26 0.00 0.00 34.13 32.37 2ane s GLU 93 CO 0.12 -0.24 1.29 0.20 -0.54 0.00 0.00 175.26 176.09 2ane s GLY 94 N 1.55 2.96 -0.09 -1.50 0.00 0.34 -1.25 107.32 109.33 2ane s GLY 94 Ca 0.04 1.22 -0.05 0.00 0.00 0.00 0.00 44.72 45.93 2ane s GLY 94 CO -0.09 1.89 -0.12 1.04 0.00 0.00 0.00 173.10 175.82 2ane n LEU 95 N 0.99 0.69 -3.58 0.66 4.77 -0.10 -0.48 117.00 119.94 2ane n LEU 95 Ca 0.00 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 2ane n LEU 95 Cb 0.42 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2ane n LEU 95 CO 0.59 0.16 0.56 -1.58 -1.33 0.00 0.00 177.39 175.79 2ane s GLN 96 N -2.18 0.80 0.55 3.23 0.74 -1.14 -4.66 119.66 117.00 2ane s GLN 96 Ca -0.13 0.50 -0.19 0.00 0.05 0.00 0.00 55.36 55.59 2ane s GLN 96 Cb 0.05 0.38 -0.06 0.00 1.10 0.00 0.00 33.01 34.48 2ane s GLN 96 CO 0.16 -0.19 1.09 1.03 -0.55 0.00 0.00 175.29 176.84 2ane s ARG 97 N -0.48 3.41 0.01 1.67 1.81 -1.26 -0.53 118.95 123.59 2ane s ARG 97 Ca -0.03 1.46 -0.20 0.00 -1.72 0.00 0.00 55.73 55.23 2ane s ARG 97 Cb -0.02 -2.03 0.04 0.00 -0.45 0.00 0.00 34.95 32.49 2ane s ARG 97 CO 0.03 -0.77 0.45 0.00 -0.68 0.00 0.00 175.30 174.32 2ane s ALA 98 N -2.00 -1.13 -0.13 2.13 0.00 -0.49 0.09 121.76 120.23 2ane s ALA 98 Ca 0.69 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 2ane s ALA 98 Cb -0.20 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2ane s ALA 98 CO 0.28 -0.40 0.02 0.50 0.00 0.00 0.00 175.76 176.15 2ane s ARG 99 N -1.98 3.49 -0.17 0.00 3.52 0.45 -1.08 118.95 123.19 2ane s ARG 99 Ca -0.08 -0.40 -0.09 0.00 -0.13 0.00 0.00 55.73 55.03 2ane s ARG 99 Cb -0.02 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 2ane s ARG 99 CO 0.01 0.45 0.12 0.96 -0.81 0.00 0.00 175.30 176.04 2ane s ILE 100 N -0.18 5.32 -0.25 4.11 -4.36 0.87 0.32 121.20 127.04 2ane s ILE 100 Ca 0.06 0.15 0.13 0.00 -0.26 0.00 0.00 60.65 60.72 2ane s ILE 100 Cb -0.12 -3.39 -0.17 0.00 1.25 0.00 0.00 42.46 40.03 2ane s ILE 100 CO 0.02 0.50 0.38 -1.54 0.24 0.00 0.00 174.94 174.54 2ane n SER 101 N 3.02 1.46 -3.79 4.36 3.41 0.18 -4.85 113.62 117.40 2ane n SER 101 Ca -0.17 -0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 57.99 2ane n SER 101 Cb 0.53 1.35 -0.12 0.00 -0.26 0.00 0.00 64.21 65.71 2ane n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ane s ALA 102 N -2.60 -0.60 -0.09 7.33 0.00 -1.24 -4.96 121.76 119.60 2ane s ALA 102 Ca -0.01 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.67 2ane s ALA 102 Cb 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2ane s ALA 102 CO 0.52 -0.12 -0.19 -1.17 0.00 0.00 0.00 175.76 174.81 2ane s LEU 103 N 0.15 2.41 -0.02 0.00 1.98 -1.26 -2.67 118.68 119.28 2ane s LEU 103 Ca -0.00 -0.40 0.01 0.00 -2.89 0.00 0.00 54.13 50.85 2ane s LEU 103 Cb -0.02 -1.49 0.02 0.00 0.66 0.00 0.00 46.19 45.36 2ane s LEU 103 CO 0.00 0.23 -0.01 -0.94 -1.89 0.00 0.00 176.35 173.74 2ane s SER 104 N -0.03 0.39 -0.80 3.68 1.04 0.05 -4.95 113.70 113.08 2ane s SER 104 Ca -0.06 -0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.22 2ane s SER 104 Cb -0.15 -0.18 0.21 0.00 0.10 0.00 0.00 66.02 66.01 2ane s SER 104 CO 0.05 -0.07 0.72 -0.62 0.98 0.00 0.00 173.24 174.30 2ane s ASP 105 N 0.77 6.50 0.00 7.02 -1.08 -1.26 -0.95 116.67 127.67 2ane s ASP 105 Ca -0.08 -2.75 0.00 0.00 -0.52 0.00 0.00 52.55 49.20 2ane s ASP 105 Cb -0.11 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 2ane s ASP 105 CO -0.01 -0.53 0.94 0.59 0.52 0.00 0.00 175.17 176.69 2ane n ASN 106 N 3.84 2.61 0.00 -0.34 3.02 -1.21 -4.70 115.26 118.47 2ane n ASN 106 Ca 0.13 -1.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 2ane n ASN 106 Cb 0.45 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2ane n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ane n GLY 107 N 1.27 0.52 0.12 7.41 0.00 -1.26 -4.48 105.19 108.77 2ane n GLY 107 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2ane n GLY 107 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ane n GLU 108 N -1.42 0.51 -3.57 1.61 4.07 -1.26 -5.09 120.64 115.50 2ane n GLU 108 Ca 0.00 0.13 -0.05 0.00 -0.06 0.00 0.00 57.16 57.17 2ane n GLU 108 Cb 0.00 -1.40 -0.02 0.00 -0.06 0.00 0.00 31.44 29.96 2ane n GLU 108 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 2ane s HIS 109 N -2.41 -0.19 0.56 4.31 -3.43 -1.26 -4.67 115.29 108.20 2ane s HIS 109 Ca -0.28 0.11 -0.19 0.00 -0.80 0.00 0.00 55.06 53.90 2ane s HIS 109 Cb 0.08 0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 31.70 2ane s HIS 109 CO 0.47 -0.32 1.16 -0.06 -2.00 0.00 0.00 174.74 173.99 2ane s PHE 110 N -2.64 2.57 0.03 0.38 0.40 -1.26 -3.36 117.98 114.10 2ane s PHE 110 Ca 0.08 1.53 -0.04 0.00 -0.60 0.00 0.00 56.93 57.91 2ane s PHE 110 Cb -0.01 -3.36 -0.02 0.00 0.51 0.00 0.00 43.02 40.15 2ane s PHE 110 CO -0.06 -1.80 0.05 0.45 0.70 0.00 0.00 175.22 174.57 2ane s SER 111 N -1.71 0.22 0.05 1.36 0.15 -0.13 -1.72 113.70 111.93 2ane s SER 111 Ca 0.74 -0.54 -0.12 0.00 0.70 0.00 0.00 55.95 56.73 2ane s SER 111 Cb -0.26 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.25 2ane s SER 111 CO 0.29 -0.45 0.27 0.00 1.20 0.00 0.00 173.24 174.55 2ane s ALA 112 N -2.32 -0.56 -0.16 5.45 0.00 -0.58 -0.77 121.76 122.83 2ane s ALA 112 Ca -0.08 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 2ane s ALA 112 Cb -0.03 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2ane s ALA 112 CO -0.04 -0.42 0.36 0.15 0.00 0.00 0.00 175.76 175.81 2ane s LYS 113 N -2.76 4.27 0.08 0.00 3.01 -1.09 -1.40 119.74 121.85 2ane s LYS 113 Ca -0.04 0.21 0.04 0.00 -1.01 0.00 0.00 55.97 55.17 2ane s LYS 113 Cb -0.00 -3.45 -0.03 0.00 -1.01 0.00 0.00 37.83 33.34 2ane s LYS 113 CO -0.05 0.17 -0.10 0.00 0.51 0.00 0.00 175.35 175.88 2ane s ALA 114 N 0.66 1.02 -0.18 5.17 0.00 0.16 -0.65 121.76 127.94 2ane s ALA 114 Ca 0.19 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2ane s ALA 114 Cb -0.14 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2ane s ALA 114 CO 0.06 -0.02 -0.19 -2.00 0.00 0.00 0.00 175.76 173.62 2ane s GLU 115 N -2.48 3.00 0.21 0.00 2.12 0.15 -1.06 118.70 120.64 2ane s GLU 115 Ca 0.02 -0.83 -0.32 0.00 0.36 0.00 0.00 54.97 54.21 2ane s GLU 115 Cb -0.05 -2.59 -0.12 0.00 0.26 0.00 0.00 34.13 31.63 2ane s GLU 115 CO 0.00 -0.21 1.72 0.66 -0.54 0.00 0.00 175.26 176.89 2ane n TYR 116 N 4.63 2.77 -0.92 5.30 4.02 -1.26 -0.41 117.16 131.28 2ane n TYR 116 Ca -0.21 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2ane n TYR 116 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 39.34 37.15 2ane n TYR 116 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13