#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2w n GLY 3 N 0.00 2.07 3.01 -1.23 0.00 -1.26 -5.08 105.19 102.70 3a2w n GLY 3 Ca 0.00 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 3a2w n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a2w s SER 4 N -3.18 2.17 0.22 1.61 0.15 -1.26 -5.11 113.70 108.29 3a2w s SER 4 Ca 0.29 -0.36 0.09 0.00 0.70 0.00 0.00 55.95 56.67 3a2w s SER 4 Cb -0.01 -0.95 -0.05 0.00 -1.71 0.00 0.00 66.02 63.30 3a2w s SER 4 CO 0.21 -0.02 -0.16 0.27 1.20 0.00 0.00 173.24 174.74 3a2w s ILE 5 N 1.09 1.88 0.93 6.45 -0.00 -1.26 -3.12 121.20 127.16 3a2w s ILE 5 Ca -0.06 -2.23 -0.12 0.00 -0.00 0.00 0.00 60.65 58.25 3a2w s ILE 5 Cb -0.14 -2.07 0.15 0.00 -0.00 0.00 0.00 42.46 40.39 3a2w s ILE 5 CO -0.02 -0.54 1.09 -2.16 -0.00 0.00 0.00 174.94 173.32 3a2w s PRO 6 N -3.55 0.99 0.20 0.37 0.04 -1.26 -4.99 135.00 126.80 3a2w s PRO 6 Ca 0.23 0.68 0.09 0.00 0.04 0.00 0.00 61.00 62.04 3a2w s PRO 6 Cb -0.02 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 3a2w s PRO 6 CO 0.08 -2.39 -0.09 -0.51 0.04 0.00 0.00 177.00 174.13 3a2w s LEU 7 N -6.28 2.97 0.21 -3.56 1.43 -1.26 -5.06 118.68 107.13 3a2w s LEU 7 Ca 0.64 -0.62 -0.32 0.00 -1.03 0.00 0.00 54.13 52.80 3a2w s LEU 7 Cb -0.18 -1.62 -0.12 0.00 0.03 0.00 0.00 46.19 44.31 3a2w s LEU 7 CO 0.57 0.08 1.70 -0.63 0.23 0.00 0.00 176.35 178.30 3a2w s ILE 8 N -1.84 2.11 0.00 -0.59 1.01 -1.26 -1.17 121.20 119.45 3a2w s ILE 8 Ca 0.26 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.99 3a2w s ILE 8 Cb -0.08 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.34 3a2w s ILE 8 CO 0.16 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3a2w n GLY 9 N 3.87 3.23 3.88 6.18 0.00 -0.59 -5.03 105.19 116.73 3a2w n GLY 9 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3a2w n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a2w s GLU 10 N -0.74 3.08 0.30 1.61 2.02 -0.32 -4.81 118.70 119.84 3a2w s GLU 10 Ca 0.00 0.48 -0.25 0.00 0.02 0.00 0.00 54.97 55.22 3a2w s GLU 10 Cb 0.00 -2.07 -0.10 0.00 0.10 0.00 0.00 34.13 32.06 3a2w s GLU 10 CO 0.00 -0.85 0.91 0.50 0.02 0.00 0.00 175.26 175.83 3a2w s ARG 11 N -5.26 4.55 0.15 1.61 3.52 -1.26 -1.74 118.95 120.52 3a2w s ARG 11 Ca 0.57 1.26 -0.33 0.00 -0.13 0.00 0.00 55.73 57.10 3a2w s ARG 11 Cb -0.11 -2.85 -0.12 0.00 -1.56 0.00 0.00 34.95 30.31 3a2w s ARG 11 CO 0.51 0.32 1.73 0.34 -0.81 0.00 0.00 175.30 177.39 3a2w n PHE 12 N 0.66 2.54 -1.67 5.12 7.35 -0.27 -4.79 117.46 126.41 3a2w n PHE 12 Ca 0.01 0.05 -0.55 0.00 -0.76 0.00 0.00 57.45 56.20 3a2w n PHE 12 Cb 0.50 -2.65 -0.07 0.00 0.35 0.00 0.00 39.48 37.61 3a2w n PHE 12 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3a2w n PRO 13 N 4.48 1.25 -1.93 -7.13 -0.04 -1.26 -4.52 135.00 125.84 3a2w n PRO 13 Ca 0.17 0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 63.67 3a2w n PRO 13 Cb 0.33 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 3a2w n PRO 13 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3a2w s GLU 14 N 2.42 4.21 -0.04 0.54 2.12 -1.26 -4.65 118.70 122.04 3a2w s GLU 14 Ca 0.93 2.36 -0.29 0.00 0.36 0.00 0.00 54.97 58.33 3a2w s GLU 14 Cb -0.99 -3.15 0.10 0.00 0.26 0.00 0.00 34.13 30.35 3a2w s GLU 14 CO 0.57 -0.60 0.85 0.00 -0.54 0.00 0.00 175.26 175.54 3a2w s MET 15 N 1.08 0.85 -0.15 4.30 0.23 -0.52 -5.00 119.30 120.09 3a2w s MET 15 Ca 0.70 -0.07 -0.07 0.00 -1.03 0.00 0.00 55.69 55.22 3a2w s MET 15 Cb -0.44 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.22 3a2w s MET 15 CO 0.32 -0.32 0.08 -2.00 -2.03 0.00 0.00 175.02 171.07 3a2w s GLU 16 N -2.17 3.69 0.07 3.16 2.12 -1.26 0.38 118.70 124.69 3a2w s GLU 16 Ca -0.01 -0.28 0.06 0.00 0.36 0.00 0.00 54.97 55.11 3a2w s GLU 16 Cb -0.01 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 3a2w s GLU 16 CO -0.02 0.49 -0.17 0.08 -0.54 0.00 0.00 175.26 175.10 3a2w s VAL 17 N -0.23 1.36 -0.32 3.70 1.01 0.15 -4.97 120.40 121.09 3a2w s VAL 17 Ca 0.09 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.62 3a2w s VAL 17 Cb -0.12 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 3a2w s VAL 17 CO 0.01 -0.07 0.37 -0.89 0.00 0.00 0.00 175.10 174.52 3a2w s THR 18 N -1.08 5.17 0.43 3.92 2.01 -1.26 -1.38 115.64 123.44 3a2w s THR 18 Ca 0.02 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.26 3a2w s THR 18 Cb -0.09 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.56 3a2w s THR 18 CO 0.03 -0.03 0.01 0.42 -0.69 0.00 0.00 174.62 174.36 3a2w s THR 19 N 2.04 1.72 -2.01 -0.82 -4.23 -0.62 -0.39 115.64 111.34 3a2w s THR 19 Ca 0.13 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.70 3a2w s THR 19 Cb -0.16 -2.77 0.17 0.00 1.34 0.00 0.00 72.50 71.07 3a2w s THR 19 CO 0.11 0.00 1.21 -0.90 -0.54 0.00 0.00 174.62 174.50 3a2w n ASP 20 N -1.03 0.21 -0.21 3.99 5.75 -0.83 -1.93 116.55 122.50 3a2w n ASP 20 Ca -0.08 -1.85 0.03 0.00 -0.01 0.00 0.00 54.79 52.88 3a2w n ASP 20 Cb 0.67 -0.02 0.01 0.00 -1.03 0.00 0.00 41.12 40.75 3a2w n ASP 20 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3a2w n HIS 21 N -0.46 0.00 0.00 2.11 8.25 -1.26 -4.95 115.22 118.91 3a2w n HIS 21 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3a2w n HIS 21 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3a2w n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a2w n GLY 22 N 0.57 0.73 3.82 -1.41 0.00 -0.81 -5.05 105.19 103.03 3a2w n GLY 22 Ca 0.03 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 3a2w n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 23 N -0.78 4.51 0.03 1.61 1.01 -1.26 -1.58 120.40 123.94 3a2w s VAL 23 Ca 0.00 1.30 -0.17 0.00 0.00 0.00 0.00 61.98 63.11 3a2w s VAL 23 Cb 0.00 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3a2w s VAL 23 CO 0.00 -0.01 0.38 0.27 0.00 0.00 0.00 175.10 175.74 3a2w s ILE 24 N -1.79 0.06 -0.12 2.22 -4.36 -0.48 -4.96 121.20 111.77 3a2w s ILE 24 Ca 0.51 -0.50 -0.05 0.00 -0.26 0.00 0.00 60.65 60.35 3a2w s ILE 24 Cb -0.14 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 3a2w s ILE 24 CO 0.19 -0.27 0.08 -0.75 0.24 0.00 0.00 174.94 174.43 3a2w s LYS 25 N -2.23 3.40 -0.01 0.37 2.20 -1.26 0.31 119.74 122.53 3a2w s LYS 25 Ca -0.07 -0.26 0.05 0.00 -0.36 0.00 0.00 55.97 55.33 3a2w s LYS 25 Cb -0.02 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 3a2w s LYS 25 CO -0.01 0.65 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.98 3a2w s LEU 26 N -0.70 2.76 0.00 5.43 1.43 0.16 -1.30 118.68 126.46 3a2w s LEU 26 Ca 0.12 -0.26 0.25 0.00 -1.03 0.00 0.00 54.13 53.21 3a2w s LEU 26 Cb -0.12 -1.59 0.58 0.00 0.03 0.00 0.00 46.19 45.09 3a2w s LEU 26 CO 0.03 0.31 1.46 -0.81 0.23 0.00 0.00 176.35 177.56 3a2w n PRO 27 N 1.93 0.77 -0.33 1.29 -0.04 -1.26 -1.44 135.00 135.92 3a2w n PRO 27 Ca -0.16 -0.50 0.15 0.00 -0.04 0.00 0.00 63.50 62.94 3a2w n PRO 27 Cb 0.52 -1.49 0.29 0.00 -0.04 0.00 0.00 33.50 32.78 3a2w n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3a2w n ASP 28 N -0.68 -0.10 -0.34 3.54 8.00 -1.24 -0.49 116.55 125.24 3a2w n ASP 28 Ca 0.11 1.60 0.13 0.00 0.71 0.00 0.00 54.79 57.34 3a2w n ASP 28 Cb 0.36 -0.59 0.34 0.00 -0.02 0.00 0.00 41.12 41.21 3a2w n ASP 28 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 3a2w h HIS 29 N 0.00 1.01 0.05 1.24 2.76 -1.54 0.05 115.15 118.71 3a2w h HIS 29 Ca 0.58 0.03 -0.34 0.00 -2.20 0.00 0.00 60.37 58.45 3a2w h HIS 29 Cb 1.21 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.82 3a2w h HIS 29 CO -0.47 0.26 -1.95 0.66 -1.30 0.00 0.00 177.93 175.13 3a2w n TYR 30 N -4.71 0.92 0.00 5.26 4.02 0.36 -4.06 117.16 118.95 3a2w n TYR 30 Ca 0.22 0.26 -0.10 0.00 -0.01 0.00 0.00 57.90 58.27 3a2w n TYR 30 Cb 0.56 -1.14 -0.04 0.00 -0.02 0.00 0.00 39.34 38.69 3a2w n TYR 30 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3a2w h VAL 31 N 0.03 0.79 -0.50 -0.72 2.07 -0.82 -1.41 116.25 115.68 3a2w h VAL 31 Ca -0.39 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.28 3a2w h VAL 31 Cb 2.04 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3a2w h VAL 31 CO 0.06 0.00 0.48 0.28 0.02 0.00 0.00 177.57 178.41 3a2w h SER 32 N -0.07 0.00 -0.19 0.57 0.02 -1.16 0.38 113.55 113.11 3a2w h SER 32 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3a2w h SER 32 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3a2w h SER 32 CO -0.15 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.54 3a2w n GLN 33 N -3.86 2.21 -1.79 3.45 6.02 -0.71 -4.93 117.38 117.77 3a2w n GLN 33 Ca 0.09 -1.80 -0.13 0.00 -0.01 0.00 0.00 57.00 55.16 3a2w n GLN 33 Cb 0.68 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 3a2w n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a2w n GLY 34 N 1.35 0.62 3.65 1.08 0.00 0.13 -5.00 105.19 107.03 3a2w n GLY 34 Ca 0.17 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3a2w n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a2w s LYS 35 N -3.84 2.69 0.52 1.61 1.02 -0.62 -4.83 119.74 116.29 3a2w s LYS 35 Ca 0.00 -0.67 -0.11 0.00 0.02 0.00 0.00 55.97 55.21 3a2w s LYS 35 Cb 0.00 -2.61 -0.06 0.00 -0.52 0.00 0.00 37.83 34.65 3a2w s LYS 35 CO 0.00 0.61 0.92 -1.58 -0.92 0.00 0.00 175.35 174.38 3a2w s TRP 36 N -1.08 3.53 -0.05 3.18 0.52 -0.74 -4.23 118.94 120.08 3a2w s TRP 36 Ca 0.19 1.20 -0.07 0.00 0.02 0.00 0.00 56.10 57.44 3a2w s TRP 36 Cb -0.11 -2.60 0.01 0.00 -1.15 0.00 0.00 33.47 29.62 3a2w s TRP 36 CO 0.10 -0.39 0.17 -0.59 0.02 0.00 0.00 176.95 176.26 3a2w s PHE 37 N -2.76 -0.14 -0.25 -1.98 -0.12 0.39 -0.59 117.98 112.53 3a2w s PHE 37 Ca 0.54 0.33 -0.06 0.00 -0.05 0.00 0.00 56.93 57.69 3a2w s PHE 37 Cb -0.10 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.31 3a2w s PHE 37 CO 0.41 -0.15 0.04 0.08 -0.05 0.00 0.00 175.22 175.54 3a2w s VAL 38 N -0.31 3.95 -0.19 -2.49 1.01 0.14 -1.47 120.40 121.04 3a2w s VAL 38 Ca -0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3a2w s VAL 38 Cb -0.03 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3a2w s VAL 38 CO 0.01 0.32 0.04 -0.22 0.00 0.00 0.00 175.10 175.25 3a2w s LEU 39 N 1.55 3.57 0.02 3.92 0.20 -0.02 -2.04 118.68 125.88 3a2w s LEU 39 Ca 0.06 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.84 3a2w s LEU 39 Cb -0.15 -1.91 -0.01 0.00 -0.43 0.00 0.00 46.19 43.69 3a2w s LEU 39 CO 0.01 0.12 -0.05 0.72 -0.29 0.00 0.00 176.35 176.86 3a2w s PHE 40 N 0.69 0.46 0.34 5.38 -0.12 -0.92 0.36 117.98 124.16 3a2w s PHE 40 Ca 0.02 -0.30 0.09 0.00 -0.05 0.00 0.00 56.93 56.68 3a2w s PHE 40 Cb -0.14 -0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 3a2w s PHE 40 CO 0.02 -0.06 0.03 -1.54 -0.05 0.00 0.00 175.22 173.61 3a2w s SER 41 N -0.88 4.22 -0.02 1.98 1.04 -0.67 -1.39 113.70 117.98 3a2w s SER 41 Ca -0.06 -0.98 -0.12 0.00 0.48 0.00 0.00 55.95 55.27 3a2w s SER 41 Cb -0.06 -0.55 0.02 0.00 0.10 0.00 0.00 66.02 65.53 3a2w s SER 41 CO -0.00 -0.26 0.26 -1.38 0.98 0.00 0.00 173.24 172.85 3a2w s HIS 42 N -2.52 -0.14 0.16 5.02 -3.43 -0.03 -3.84 115.29 110.51 3a2w s HIS 42 Ca 0.35 0.23 -0.22 0.00 -0.80 0.00 0.00 55.06 54.62 3a2w s HIS 42 Cb 0.00 0.06 0.05 0.00 -1.43 0.00 0.00 32.58 31.26 3a2w s HIS 42 CO 0.20 -0.33 1.62 -1.00 -2.00 0.00 0.00 174.74 173.22 3a2w h PRO 43 N 4.20 -0.24 -2.89 -0.38 0.13 -1.71 -3.38 132.00 127.73 3a2w h PRO 43 Ca -0.29 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3a2w h PRO 43 Cb 1.18 0.05 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 3a2w h PRO 43 CO 0.39 -0.16 0.26 0.00 -0.23 0.00 0.00 178.00 178.26 3a2w s ALA 44 N -6.05 -1.55 0.63 -0.56 0.00 -1.26 -4.18 121.76 108.79 3a2w s ALA 44 Ca -0.15 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 3a2w s ALA 44 Cb 0.13 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3a2w s ALA 44 CO 0.68 -0.83 1.04 -0.51 0.00 0.00 0.00 175.76 176.14 3a2w s ASP 45 N -2.76 6.00 -1.15 0.00 1.01 -1.26 -3.99 116.67 114.52 3a2w s ASP 45 Ca 0.04 1.50 -0.06 0.00 0.71 0.00 0.00 52.55 54.74 3a2w s ASP 45 Cb -0.02 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.43 3a2w s ASP 45 CO -0.08 -1.03 0.99 0.49 0.21 0.00 0.00 175.17 175.76 3a2w n PHE 46 N -2.75 -2.36 -4.53 4.23 3.01 -1.26 -5.02 117.46 108.77 3a2w n PHE 46 Ca 0.07 0.87 -0.22 0.00 1.01 0.00 0.00 57.45 59.18 3a2w n PHE 46 Cb 0.54 -4.59 -0.15 0.00 -0.01 0.00 0.00 39.48 35.27 3a2w n PHE 46 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3a2w s THR 47 N -3.29 0.97 0.09 4.37 -4.23 -1.26 -5.10 115.64 107.20 3a2w s THR 47 Ca 0.37 -0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 60.16 3a2w s THR 47 Cb -0.16 -0.84 -0.08 0.00 1.34 0.00 0.00 72.50 72.76 3a2w s THR 47 CO 0.64 0.29 1.39 1.55 -0.54 0.00 0.00 174.62 177.94 3a2w h PRO 48 N 6.16 -0.31 -0.36 3.99 0.13 -1.95 -1.93 132.00 137.73 3a2w h PRO 48 Ca -0.33 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3a2w h PRO 48 Cb 1.17 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3a2w h PRO 48 CO 0.49 -0.21 0.21 0.28 -0.23 0.00 0.00 178.00 178.54 3a2w h VAL 49 N -0.32 1.04 -0.73 1.56 2.07 -1.99 -1.66 116.25 116.22 3a2w h VAL 49 Ca 0.04 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.52 3a2w h VAL 49 Cb 0.44 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 3a2w h VAL 49 CO -0.39 0.08 0.35 0.28 0.02 0.00 0.00 177.57 177.91 3a2w h SER 50 N 0.43 0.43 -0.52 0.57 0.02 -1.88 -0.65 113.55 111.96 3a2w h SER 50 Ca 0.14 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3a2w h SER 50 Cb -0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3a2w h SER 50 CO -0.06 0.23 0.21 0.74 -1.14 0.00 0.00 176.83 176.80 3a2w h THR 51 N 0.57 1.21 -0.33 -2.27 2.02 -0.59 -1.14 112.91 112.39 3a2w h THR 51 Ca 0.37 -0.67 -0.15 0.00 0.77 0.00 0.00 66.41 66.73 3a2w h THR 51 Cb 0.44 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3a2w h THR 51 CO -0.30 0.26 -0.41 0.71 0.37 0.00 0.00 175.52 176.15 3a2w h THR 52 N 0.81 1.28 -0.43 3.16 1.35 -0.28 -2.46 112.91 116.34 3a2w h THR 52 Ca 0.19 -1.59 -0.07 0.00 -0.55 0.00 0.00 66.41 64.40 3a2w h THR 52 Cb 0.18 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 3a2w h THR 52 CO -0.02 0.52 -0.02 -0.33 -0.25 0.00 0.00 175.52 175.43 3a2w h GLU 53 N 0.66 0.70 -0.38 4.72 5.08 -0.69 -1.17 114.58 123.50 3a2w h GLU 53 Ca 0.05 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 3a2w h GLU 53 Cb 0.98 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3a2w h GLU 53 CO 0.09 0.72 -0.32 0.74 -1.00 0.00 0.00 179.01 179.25 3a2w h PHE 54 N 0.65 0.98 -0.16 4.33 -1.00 -1.10 -0.58 116.94 120.08 3a2w h PHE 54 Ca 0.13 -0.27 -0.10 0.00 2.81 0.00 0.00 57.97 60.55 3a2w h PHE 54 Cb 0.43 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 3a2w h PHE 54 CO 0.02 1.04 -0.33 0.28 -1.61 0.00 0.00 178.31 177.71 3a2w h VAL 55 N 0.71 1.28 -0.24 -0.55 2.07 -1.20 -0.76 116.25 117.56 3a2w h VAL 55 Ca 0.08 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.12 3a2w h VAL 55 Cb 0.87 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3a2w h VAL 55 CO 0.08 0.41 -0.32 -1.28 0.02 0.00 0.00 177.57 176.48 3a2w h SER 56 N 0.27 0.69 -0.28 0.57 0.87 -0.87 -1.69 113.55 113.12 3a2w h SER 56 Ca 0.03 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 3a2w h SER 56 Cb 0.72 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3a2w h SER 56 CO 0.05 1.06 0.13 -0.26 -0.53 0.00 0.00 176.83 177.29 3a2w h PHE 57 N 0.34 0.41 -0.89 2.24 -1.00 -0.91 -2.41 116.94 114.72 3a2w h PHE 57 Ca 0.03 -0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.87 3a2w h PHE 57 Cb 0.90 -0.13 -0.06 0.00 3.61 0.00 0.00 35.95 40.27 3a2w h PHE 57 CO 0.08 0.38 0.57 0.00 -1.61 0.00 0.00 178.31 177.73 3a2w h ALA 58 N 0.99 1.61 0.00 2.45 0.00 -1.08 0.34 119.26 123.57 3a2w h ALA 58 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3a2w h ALA 58 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3a2w h ALA 58 CO -0.01 0.22 -0.38 0.00 0.00 0.00 0.00 179.25 179.08 3a2w h ARG 59 N 0.92 0.00 -0.56 0.00 2.47 -1.00 -2.77 114.38 113.44 3a2w h ARG 59 Ca 0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 3a2w h ARG 59 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 3a2w h ARG 59 CO -0.17 0.38 0.00 0.54 0.56 0.00 0.00 179.97 181.29 3a2w n ARG 60 N -3.98 3.54 0.02 0.04 1.74 -0.07 -4.59 116.66 113.36 3a2w n ARG 60 Ca -0.02 -2.78 -0.10 0.00 -0.77 0.00 0.00 57.85 54.18 3a2w n ARG 60 Cb 0.43 -1.81 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 3a2w n ARG 60 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3a2w h TYR 61 N 3.51 -0.21 -0.54 -1.55 3.20 -0.76 -1.92 116.97 118.70 3a2w h TYR 61 Ca 0.00 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.95 3a2w h TYR 61 Cb 1.37 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.71 3a2w h TYR 61 CO 0.67 -0.13 0.36 1.49 -1.64 0.00 0.00 178.16 178.91 3a2w h GLU 62 N -0.11 0.47 -0.21 1.82 4.57 -1.82 0.34 114.58 119.63 3a2w h GLU 62 Ca 0.06 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3a2w h GLU 62 Cb 0.19 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3a2w h GLU 62 CO -0.14 0.31 0.00 -0.44 -1.18 0.00 0.00 179.01 177.56 3a2w h ASP 63 N 0.48 0.37 -0.54 1.04 3.32 -1.69 -2.30 116.42 117.10 3a2w h ASP 63 Ca 0.24 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 3a2w h ASP 63 Cb 0.32 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3a2w h ASP 63 CO -0.06 0.59 0.16 -0.26 -1.72 0.00 0.00 179.24 177.95 3a2w h PHE 64 N 0.14 0.87 -0.77 4.55 -1.00 -0.68 -3.04 116.94 117.01 3a2w h PHE 64 Ca 0.06 -0.09 0.08 0.00 2.81 0.00 0.00 57.97 60.83 3a2w h PHE 64 Cb 0.40 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.64 3a2w h PHE 64 CO 0.03 0.74 0.44 1.96 -1.61 0.00 0.00 178.31 179.87 3a2w h GLN 65 N 0.74 0.74 -0.10 1.51 1.08 -0.89 0.24 115.11 118.44 3a2w h GLN 65 Ca 0.17 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.25 3a2w h GLN 65 Cb 0.29 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3a2w h GLN 65 CO -0.00 0.49 -0.29 -0.09 -0.95 0.00 0.00 178.83 177.98 3a2w h ARG 66 N 0.77 0.19 0.00 1.46 2.43 -1.35 -1.12 114.38 116.75 3a2w h ARG 66 Ca 0.36 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3a2w h ARG 66 Cb 0.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3a2w h ARG 66 CO -0.22 0.47 0.00 1.28 -1.51 0.00 0.00 179.97 180.00 3a2w n LEU 67 N -4.14 0.00 -0.48 3.80 4.77 -0.70 -4.89 117.00 115.37 3a2w n LEU 67 Ca -0.01 0.43 -0.01 0.00 -0.03 0.00 0.00 56.01 56.39 3a2w n LEU 67 Cb 0.38 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3a2w n LEU 67 CO 0.40 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3a2w n GLY 68 N 1.06 0.77 3.20 -0.72 0.00 -0.42 -4.92 105.19 104.16 3a2w n GLY 68 Ca 0.08 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 3a2w n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 69 N -2.78 1.94 0.28 1.61 1.01 -0.01 -1.79 120.40 120.67 3a2w s VAL 69 Ca 0.02 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3a2w s VAL 69 Cb -0.01 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3a2w s VAL 69 CO 0.02 0.54 0.43 -1.81 0.00 0.00 0.00 175.10 174.28 3a2w s ASP 70 N 0.29 6.27 0.06 3.32 1.01 0.24 -3.63 116.67 124.24 3a2w s ASP 70 Ca -0.16 0.16 0.09 0.00 0.71 0.00 0.00 52.55 53.35 3a2w s ASP 70 Cb -0.17 -1.84 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 3a2w s ASP 70 CO 0.07 -0.18 -0.25 -0.76 0.21 0.00 0.00 175.17 174.26 3a2w s LEU 71 N -4.11 2.20 -0.21 1.23 1.43 -1.26 -0.68 118.68 117.29 3a2w s LEU 71 Ca 0.37 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 3a2w s LEU 71 Cb -0.09 -1.20 0.07 0.00 0.03 0.00 0.00 46.19 45.00 3a2w s LEU 71 CO 0.31 0.22 0.48 -0.51 0.23 0.00 0.00 176.35 177.08 3a2w s ILE 72 N -0.87 -0.20 0.66 -0.59 2.07 -0.86 -4.12 121.20 117.29 3a2w s ILE 72 Ca 0.11 0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.48 3a2w s ILE 72 Cb -0.10 -0.72 0.11 0.00 0.13 0.00 0.00 42.46 41.88 3a2w s ILE 72 CO 0.03 0.03 0.91 -0.83 -1.91 0.00 0.00 174.94 173.17 3a2w s GLY 73 N 1.78 1.74 -0.27 1.50 0.00 0.16 -2.17 107.32 110.06 3a2w s GLY 73 Ca -0.08 -1.96 -0.25 0.00 0.00 0.00 0.00 44.72 42.43 3a2w s GLY 73 CO -0.15 -1.42 0.80 -2.27 0.00 0.00 0.00 173.10 170.05 3a2w s LEU 74 N -4.94 -0.68 0.24 0.66 0.20 -0.49 0.42 118.68 114.09 3a2w s LEU 74 Ca 0.65 1.31 -0.22 0.00 0.69 0.00 0.00 54.13 56.55 3a2w s LEU 74 Cb -0.05 2.32 0.04 0.00 -0.43 0.00 0.00 46.19 48.07 3a2w s LEU 74 CO 0.42 -0.22 0.81 -0.94 -0.29 0.00 0.00 176.35 176.13 3a2w s SER 75 N 0.39 -0.22 0.00 3.68 1.04 -1.09 -0.85 113.70 116.65 3a2w s SER 75 Ca 0.00 -0.55 0.15 0.00 0.48 0.00 0.00 55.95 56.04 3a2w s SER 75 Cb -0.05 0.64 0.60 0.00 0.10 0.00 0.00 66.02 67.31 3a2w s SER 75 CO -0.01 -1.19 1.43 1.33 0.98 0.00 0.00 173.24 175.78 3a2w n VAL 76 N -0.47 0.22 -1.95 5.02 0.24 -1.26 -1.21 118.33 118.92 3a2w n VAL 76 Ca -0.05 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.34 61.68 3a2w n VAL 76 Cb 0.60 0.17 0.04 0.00 -1.47 0.00 0.00 33.84 33.18 3a2w n VAL 76 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3a2w s ASP 77 N -1.34 5.48 0.77 -1.34 1.11 -1.26 -3.64 116.67 116.44 3a2w s ASP 77 Ca 0.25 1.08 -0.12 0.00 0.18 0.00 0.00 52.55 53.95 3a2w s ASP 77 Cb 0.13 -1.91 0.05 0.00 1.07 0.00 0.00 42.92 42.27 3a2w s ASP 77 CO 0.19 -1.30 1.13 -0.94 1.18 0.00 0.00 175.17 175.43 3a2w s SER 78 N -4.35 4.85 0.45 0.27 1.04 -1.26 -3.77 113.70 110.94 3a2w s SER 78 Ca 0.58 1.03 0.20 0.00 0.48 0.00 0.00 55.95 58.23 3a2w s SER 78 Cb -0.11 -1.70 1.09 0.00 0.10 0.00 0.00 66.02 65.41 3a2w s SER 78 CO 0.51 -1.71 1.96 -0.37 0.98 0.00 0.00 173.24 174.61 3a2w h VAL 79 N -0.91 0.90 -0.41 5.02 -1.51 -1.95 -2.24 116.25 115.15 3a2w h VAL 79 Ca -0.46 -0.82 -0.13 0.00 -1.23 0.00 0.00 66.70 64.06 3a2w h VAL 79 Cb 1.29 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.91 3a2w h VAL 79 CO 0.64 0.21 -0.25 -0.26 -1.23 0.00 0.00 177.57 176.68 3a2w h PHE 80 N 0.00 0.99 -0.24 5.19 -1.00 -2.00 -2.30 116.94 117.58 3a2w h PHE 80 Ca -0.00 -0.24 -0.16 0.00 2.81 0.00 0.00 57.97 60.37 3a2w h PHE 80 Cb 0.46 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 3a2w h PHE 80 CO 0.00 1.02 -0.49 0.77 -1.61 0.00 0.00 178.31 178.00 3a2w h SER 81 N 0.74 0.72 -0.29 2.17 0.02 -1.81 -2.79 113.55 112.32 3a2w h SER 81 Ca 0.09 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3a2w h SER 81 Cb 0.80 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3a2w h SER 81 CO 0.07 1.09 0.13 0.45 -1.14 0.00 0.00 176.83 177.43 3a2w h HIS 82 N 0.52 0.24 -0.26 3.45 3.86 -1.20 0.10 115.15 121.86 3a2w h HIS 82 Ca 0.02 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3a2w h HIS 82 Cb 1.04 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 3a2w h HIS 82 CO 0.05 0.13 0.11 0.82 0.86 0.00 0.00 177.93 179.90 3a2w h ILE 83 N 0.28 1.17 -0.49 2.45 1.08 -1.40 0.63 117.51 121.23 3a2w h ILE 83 Ca 0.12 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 3a2w h ILE 83 Cb 0.05 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3a2w h ILE 83 CO -0.09 0.17 0.19 0.11 -0.69 0.00 0.00 178.15 177.83 3a2w h LYS 84 N 0.28 0.70 -0.30 2.37 1.79 -1.30 -0.22 116.57 119.89 3a2w h LYS 84 Ca 0.09 -0.10 -0.16 0.00 -2.18 0.00 0.00 60.65 58.30 3a2w h LYS 84 Cb 0.16 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3a2w h LYS 84 CO -0.01 0.58 -0.45 2.35 -1.08 0.00 0.00 179.45 180.84 3a2w h TRP 85 N 0.69 0.95 -0.53 -1.35 7.01 -0.35 -1.34 115.95 121.03 3a2w h TRP 85 Ca 0.17 -0.30 -0.12 0.00 2.11 0.00 0.00 58.89 60.75 3a2w h TRP 85 Cb 0.15 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 3a2w h TRP 85 CO 0.01 1.09 -0.12 0.87 -2.79 0.00 0.00 178.44 177.50 3a2w h LYS 86 N 0.62 1.02 -0.64 2.65 1.57 -0.35 -2.33 116.57 119.12 3a2w h LYS 86 Ca 0.04 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 3a2w h LYS 86 Cb 1.02 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 3a2w h LYS 86 CO 0.10 1.06 0.25 0.93 -0.57 0.00 0.00 179.45 181.23 3a2w h GLU 87 N 0.90 0.93 -0.66 3.15 5.08 -0.87 -1.01 114.58 122.09 3a2w h GLU 87 Ca 0.14 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3a2w h GLU 87 Cb 0.68 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3a2w h GLU 87 CO 0.05 0.76 0.14 2.35 -1.00 0.00 0.00 179.01 181.31 3a2w h TRP 88 N 0.92 1.12 -0.18 4.33 7.01 -0.92 -1.92 115.95 126.30 3a2w h TRP 88 Ca 0.22 -0.14 -0.12 0.00 2.11 0.00 0.00 58.89 60.96 3a2w h TRP 88 Cb 0.18 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 3a2w h TRP 88 CO 0.01 0.92 -0.35 0.82 -2.79 0.00 0.00 178.44 177.05 3a2w h ILE 89 N 1.01 1.34 -0.25 2.65 2.04 -0.90 0.05 117.51 123.45 3a2w h ILE 89 Ca 0.21 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 64.43 3a2w h ILE 89 Cb 0.38 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3a2w h ILE 89 CO 0.01 0.49 -0.04 -0.08 0.00 0.00 0.00 178.15 178.52 3a2w h GLU 90 N 0.21 0.39 0.19 2.37 4.81 -1.14 0.22 114.58 121.63 3a2w h GLU 90 Ca 0.01 -0.08 -0.32 0.00 -0.13 0.00 0.00 59.36 58.84 3a2w h GLU 90 Cb 0.95 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.29 3a2w h GLU 90 CO 0.08 0.45 -1.51 -0.09 -0.73 0.00 0.00 179.01 177.21 3a2w h ARG 91 N 0.38 0.40 0.00 1.92 2.43 -1.31 -2.39 114.38 115.80 3a2w h ARG 91 Ca 0.08 -0.68 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 3a2w h ARG 91 Cb 0.32 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3a2w h ARG 91 CO 0.01 1.32 -0.93 0.72 -1.51 0.00 0.00 179.97 179.59 3a2w n HIS 92 N -3.75 0.16 0.00 2.20 8.25 0.00 -4.43 115.22 117.64 3a2w n HIS 92 Ca -0.22 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3a2w n HIS 92 Cb 1.02 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.82 3a2w n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3a2w n ILE 93 N -1.78 0.00 -0.62 1.59 -0.00 0.70 -5.03 119.36 114.22 3a2w n ILE 93 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 3a2w n ILE 93 Cb 0.40 -0.65 0.00 0.00 -0.00 0.00 0.00 39.64 39.39 3a2w n ILE 93 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3a2w n GLY 94 N 2.74 0.72 3.47 7.39 0.00 -0.80 -4.99 105.19 113.72 3a2w n GLY 94 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3a2w n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 95 N -2.33 3.64 -0.25 1.61 1.01 -1.25 -4.95 120.40 117.88 3a2w s VAL 95 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 3a2w s VAL 95 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 3a2w s VAL 95 CO 0.00 0.51 0.20 -0.60 0.00 0.00 0.00 175.10 175.21 3a2w s ARG 96 N 0.28 4.04 -0.25 2.72 3.52 -1.26 -3.11 118.95 124.88 3a2w s ARG 96 Ca -0.05 -0.24 -0.29 0.00 -0.13 0.00 0.00 55.73 55.02 3a2w s ARG 96 Cb -0.14 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 3a2w s ARG 96 CO 0.04 -0.04 1.21 0.42 -0.81 0.00 0.00 175.30 176.12 3a2w s ILE 97 N 1.34 4.32 -0.21 4.11 1.09 -1.26 -4.92 121.20 125.67 3a2w s ILE 97 Ca 0.08 1.55 0.20 0.00 -1.10 0.00 0.00 60.65 61.39 3a2w s ILE 97 Cb -0.14 -4.18 -0.02 0.00 -1.06 0.00 0.00 42.46 37.06 3a2w s ILE 97 CO 0.07 -0.34 1.02 -0.65 -0.10 0.00 0.00 174.94 174.95 3a2w h PRO 98 N 8.50 0.00 -6.88 2.79 0.11 -1.96 -3.48 132.00 131.07 3a2w h PRO 98 Ca -0.24 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.39 3a2w h PRO 98 Cb 1.09 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.23 3a2w h PRO 98 CO 1.01 0.11 0.04 -0.59 -0.21 0.00 0.00 178.00 178.36 3a2w s PHE 99 N -3.20 3.36 0.57 0.65 -0.12 -1.26 -5.08 117.98 112.89 3a2w s PHE 99 Ca -0.01 0.54 -0.13 0.00 -0.05 0.00 0.00 56.93 57.29 3a2w s PHE 99 Cb 0.09 -2.41 -0.05 0.00 -0.63 0.00 0.00 43.02 40.02 3a2w s PHE 99 CO 0.79 -0.44 1.00 -1.25 -0.05 0.00 0.00 175.22 175.27 3a2w s PRO 100 N -4.73 3.72 -0.10 1.99 0.04 -1.26 -4.91 135.00 129.75 3a2w s PRO 100 Ca 0.49 0.78 0.02 0.00 0.04 0.00 0.00 61.00 62.33 3a2w s PRO 100 Cb -0.10 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.33 3a2w s PRO 100 CO 0.42 -0.44 -0.15 0.42 0.04 0.00 0.00 177.00 177.29 3a2w s ILE 101 N -2.96 1.45 0.20 0.56 1.01 -1.26 -0.66 121.20 119.54 3a2w s ILE 101 Ca 0.56 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 3a2w s ILE 101 Cb -0.11 -1.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.96 3a2w s ILE 101 CO 0.46 0.43 1.13 -0.63 0.00 0.00 0.00 174.94 176.33 3a2w s ILE 102 N 0.88 3.69 -0.36 2.92 1.01 0.17 -1.97 121.20 127.54 3a2w s ILE 102 Ca -0.09 1.49 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 3a2w s ILE 102 Cb -0.15 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.37 3a2w s ILE 102 CO 0.00 0.27 0.23 0.00 0.00 0.00 0.00 174.94 175.44 3a2w s ALA 103 N -0.38 3.39 -0.57 9.38 0.00 0.48 -2.66 121.76 131.40 3a2w s ALA 103 Ca 0.49 -1.56 0.06 0.00 0.00 0.00 0.00 51.96 50.95 3a2w s ALA 103 Cb -0.31 -2.64 0.33 0.00 0.00 0.00 0.00 23.12 20.50 3a2w s ALA 103 CO 0.37 -1.19 0.90 -3.47 0.00 0.00 0.00 175.76 172.37 3a2w n ASP 104 N 5.06 4.10 -4.75 0.00 4.64 -0.35 -4.57 116.55 120.68 3a2w n ASP 104 Ca -0.12 -3.60 -0.35 0.00 -1.38 0.00 0.00 54.79 49.34 3a2w n ASP 104 Cb 0.48 -0.58 0.06 0.00 -1.04 0.00 0.00 41.12 40.04 3a2w n ASP 104 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 3a2w s PRO 105 N -3.26 2.64 0.00 -0.67 0.02 -1.24 -1.79 135.00 130.70 3a2w s PRO 105 Ca 0.47 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3a2w s PRO 105 Cb 0.27 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.89 3a2w s PRO 105 CO -0.12 -1.44 0.00 1.04 -0.33 0.00 0.00 177.00 176.15 3a2w n GLN 106 N -2.20 0.00 -2.11 5.54 1.13 -1.26 -4.14 117.38 114.34 3a2w n GLN 106 Ca 0.13 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.05 3a2w n GLN 106 Cb 0.50 -0.96 -0.02 0.00 0.11 0.00 0.00 30.24 29.87 3a2w n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a2w n GLY 107 N -2.00 0.09 0.32 1.08 0.00 -0.74 -4.94 105.19 99.00 3a2w n GLY 107 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 3a2w n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3a2w h THR 108 N 0.00 0.38 -0.43 2.61 2.02 -1.76 -2.00 112.91 113.73 3a2w h THR 108 Ca -0.31 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 3a2w h THR 108 Cb 1.17 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3a2w h THR 108 CO 0.38 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 176.85 3a2w h VAL 109 N -0.58 1.26 -0.86 3.16 2.07 -1.92 -2.99 116.25 116.40 3a2w h VAL 109 Ca 0.00 -1.03 0.17 0.00 0.82 0.00 0.00 66.70 66.66 3a2w h VAL 109 Cb 0.55 1.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 3a2w h VAL 109 CO -0.10 0.35 0.42 0.00 0.02 0.00 0.00 177.57 178.26 3a2w h ALA 110 N 0.90 1.32 -0.35 1.67 0.00 -1.87 -1.08 119.26 119.85 3a2w h ALA 110 Ca 0.12 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3a2w h ALA 110 Cb 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3a2w h ALA 110 CO 0.02 -0.17 0.03 0.00 0.00 0.00 0.00 179.25 179.14 3a2w h ARG 111 N 0.55 0.59 -0.33 0.00 3.08 -1.25 0.75 114.38 117.78 3a2w h ARG 111 Ca 0.49 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.39 3a2w h ARG 111 Cb 0.77 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3a2w h ARG 111 CO -0.41 0.69 0.22 0.00 -1.07 0.00 0.00 179.97 179.39 3a2w h ARG 112 N 0.42 0.34 -0.61 0.04 2.47 -1.11 -2.45 114.38 113.48 3a2w h ARG 112 Ca 0.10 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3a2w h ARG 112 Cb 0.40 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 3a2w h ARG 112 CO 0.01 0.22 0.00 1.28 0.56 0.00 0.00 179.97 182.05 3a2w n LEU 113 N -4.49 3.65 -3.23 3.04 4.77 -0.56 -4.29 117.00 115.90 3a2w n LEU 113 Ca 0.03 -1.95 -0.23 0.00 -0.03 0.00 0.00 56.01 53.83 3a2w n LEU 113 Cb 0.14 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3a2w n LEU 113 CO 0.35 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 3a2w n GLY 114 N 1.36 -0.51 0.00 -0.72 0.00 -0.55 -4.66 105.19 100.11 3a2w n GLY 114 Ca 0.21 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.49 3a2w n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a2w n LEU 115 N -4.01 0.24 -4.50 0.99 4.77 0.15 -4.74 117.00 109.91 3a2w n LEU 115 Ca -0.06 0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 55.77 3a2w n LEU 115 Cb 0.58 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 3a2w n LEU 115 CO 0.51 0.05 0.12 -0.76 -1.33 0.00 0.00 177.39 175.99 3a2w s LEU 116 N -3.04 4.74 0.00 2.23 1.43 -1.26 -1.48 118.68 121.31 3a2w s LEU 116 Ca 0.13 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3a2w s LEU 116 Cb 0.18 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.99 3a2w s LEU 116 CO 0.61 -0.55 0.00 1.41 0.23 0.00 0.00 176.35 178.05 3a2w n HIS 117 N 5.61 -1.82 0.20 0.29 8.25 -1.25 -4.99 115.22 121.52 3a2w n HIS 117 Ca -0.07 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.44 3a2w n HIS 117 Cb 0.48 0.00 0.44 0.00 1.12 0.00 0.00 29.99 32.02 3a2w n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a2w h ALA 118 N 0.52 1.32 -0.22 -1.41 0.00 -1.98 -3.31 119.26 114.19 3a2w h ALA 118 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3a2w h ALA 118 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3a2w h ALA 118 CO 0.00 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.03 3a2w n GLU 119 N -3.93 0.00 -5.25 0.00 1.02 -1.26 -4.72 120.64 106.51 3a2w n GLU 119 Ca -0.02 0.63 -0.31 0.00 -0.02 0.00 0.00 57.16 57.45 3a2w n GLU 119 Cb 0.38 -1.46 -0.16 0.00 -0.02 0.00 0.00 31.44 30.18 3a2w n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a2w s SER 120 N -2.34 3.14 0.00 1.62 0.15 -1.24 -5.00 113.70 110.03 3a2w s SER 120 Ca 0.00 -0.45 0.23 0.00 0.70 0.00 0.00 55.95 56.42 3a2w s SER 120 Cb 0.00 -0.38 0.07 0.00 -1.71 0.00 0.00 66.02 63.99 3a2w s SER 120 CO 0.00 0.32 1.11 0.00 1.20 0.00 0.00 173.24 175.87 3a2w n ALA 121 N 2.39 4.15 -0.06 5.45 0.00 -1.26 -3.91 120.51 127.27 3a2w n ALA 121 Ca -0.16 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 52.69 3a2w n ALA 121 Cb 0.51 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 3a2w n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a2w n THR 122 N -1.21 0.84 -4.38 0.00 -2.24 -1.26 -5.02 114.28 101.01 3a2w n THR 122 Ca 0.06 -0.52 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 3a2w n THR 122 Cb 0.35 -0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 67.79 3a2w n THR 122 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3a2w s HIS 123 N -2.30 2.56 0.43 4.78 4.02 -1.26 -4.93 115.29 118.60 3a2w s HIS 123 Ca -0.06 -0.25 -0.22 0.00 1.02 0.00 0.00 55.06 55.55 3a2w s HIS 123 Cb 0.04 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.58 30.12 3a2w s HIS 123 CO 0.50 0.36 0.99 -0.08 1.02 0.00 0.00 174.74 177.53 3a2w s THR 124 N -1.10 4.08 0.83 1.30 -1.32 -1.26 -4.60 115.64 113.56 3a2w s THR 124 Ca 0.17 1.38 -0.13 0.00 -1.21 0.00 0.00 61.69 61.91 3a2w s THR 124 Cb -0.11 -3.60 0.19 0.00 -1.51 0.00 0.00 72.50 67.47 3a2w s THR 124 CO 0.09 -0.20 1.12 1.33 -2.21 0.00 0.00 174.62 174.76 3a2w n VAL 125 N -0.54 0.00 -2.85 5.08 0.24 -0.55 -2.45 118.33 117.27 3a2w n VAL 125 Ca 0.07 -0.93 -0.44 0.00 -2.04 0.00 0.00 64.34 61.00 3a2w n VAL 125 Cb 0.52 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 3a2w n VAL 125 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3a2w n ARG 126 N -3.35 3.42 -2.67 7.34 1.74 -0.50 -4.04 116.66 118.60 3a2w n ARG 126 Ca 0.15 -3.80 -0.30 0.00 -0.77 0.00 0.00 57.85 53.13 3a2w n ARG 126 Cb 0.51 -3.02 -0.02 0.00 -1.02 0.00 0.00 32.46 28.91 3a2w n ARG 126 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3a2w s GLY 127 N 2.47 1.79 -0.08 -0.13 0.00 -1.25 -0.97 107.32 109.15 3a2w s GLY 127 Ca 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 3a2w s GLY 127 CO 0.00 -0.07 0.10 0.14 0.00 0.00 0.00 173.10 173.27 3a2w s VAL 128 N -2.58 -0.16 -0.19 1.40 1.01 0.12 -1.67 120.40 118.35 3a2w s VAL 128 Ca 0.51 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 3a2w s VAL 128 Cb -0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 3a2w s VAL 128 CO 0.38 0.08 -0.11 -0.36 0.00 0.00 0.00 175.10 175.08 3a2w s PHE 129 N 2.21 2.86 -0.31 5.22 0.40 0.16 -1.08 117.98 127.43 3a2w s PHE 129 Ca 0.04 -1.09 -0.09 0.00 -0.60 0.00 0.00 56.93 55.19 3a2w s PHE 129 Cb -0.13 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 3a2w s PHE 129 CO -0.05 -0.55 0.15 0.42 0.70 0.00 0.00 175.22 175.88 3a2w s ILE 130 N 1.16 4.56 -0.13 0.64 1.01 -0.73 -0.84 121.20 126.86 3a2w s ILE 130 Ca 0.01 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3a2w s ILE 130 Cb -0.14 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3a2w s ILE 130 CO -0.04 0.07 -0.20 -0.69 0.00 0.00 0.00 174.94 174.08 3a2w s VAL 131 N 1.61 2.26 0.98 2.92 1.01 -0.54 -0.08 120.40 128.55 3a2w s VAL 131 Ca 0.04 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 3a2w s VAL 131 Cb -0.17 -1.91 0.22 0.00 0.00 0.00 0.00 36.38 34.52 3a2w s VAL 131 CO 0.06 0.54 1.34 1.51 0.00 0.00 0.00 175.10 178.55 3a2w s ASP 132 N 0.68 2.90 0.58 3.32 1.47 -0.39 -0.46 116.67 124.76 3a2w s ASP 132 Ca -0.10 0.16 0.28 0.00 1.18 0.00 0.00 52.55 54.06 3a2w s ASP 132 Cb -0.16 -0.13 1.74 0.00 -0.34 0.00 0.00 42.92 44.03 3a2w s ASP 132 CO 0.02 -2.86 2.24 0.00 0.68 0.00 0.00 175.17 175.24 3a2w h ALA 133 N -1.72 1.61 -0.02 2.11 0.00 -1.88 0.15 119.26 119.51 3a2w h ALA 133 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3a2w h ALA 133 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3a2w h ALA 133 CO 0.33 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 180.11 3a2w n ARG 134 N -3.95 1.06 -1.68 0.00 3.00 -1.26 -4.51 116.66 109.32 3a2w n ARG 134 Ca -0.03 -0.10 -0.09 0.00 -0.01 0.00 0.00 57.85 57.62 3a2w n ARG 134 Cb 0.09 -1.22 -0.02 0.00 0.00 0.00 0.00 32.46 31.31 3a2w n ARG 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3a2w n GLY 135 N 0.74 0.61 3.77 -0.13 0.00 0.52 -4.96 105.19 105.74 3a2w n GLY 135 Ca 0.10 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 3a2w n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 136 N -2.40 5.31 -0.00 1.61 1.01 -1.24 -1.11 120.40 123.57 3a2w s VAL 136 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 3a2w s VAL 136 Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 3a2w s VAL 136 CO 0.00 0.51 1.50 -0.63 0.00 0.00 0.00 175.10 176.49 3a2w s ILE 137 N -0.19 3.55 -0.12 2.22 1.01 -0.71 -1.27 121.20 125.70 3a2w s ILE 137 Ca 0.10 0.89 0.12 0.00 0.00 0.00 0.00 60.65 61.76 3a2w s ILE 137 Cb -0.12 -3.58 -0.17 0.00 0.01 0.00 0.00 42.46 38.61 3a2w s ILE 137 CO 0.01 -0.02 0.07 0.54 0.00 0.00 0.00 174.94 175.53 3a2w n ARG 138 N 5.84 1.74 -3.62 2.79 5.12 0.88 -1.54 116.66 127.86 3a2w n ARG 138 Ca 0.15 -0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 55.89 3a2w n ARG 138 Cb 0.43 -1.33 -0.07 0.00 -1.16 0.00 0.00 32.46 30.32 3a2w n ARG 138 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3a2w s THR 139 N -2.37 0.02 -0.04 0.55 2.01 -1.20 -4.90 115.64 109.70 3a2w s THR 139 Ca -0.06 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.81 3a2w s THR 139 Cb 0.04 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.73 3a2w s THR 139 CO 0.54 -0.07 -0.03 -0.04 -0.69 0.00 0.00 174.62 174.32 3a2w s MET 140 N -0.90 0.71 0.02 4.92 -1.94 -1.26 -1.77 119.30 119.09 3a2w s MET 140 Ca -0.09 -0.06 0.08 0.00 -1.71 0.00 0.00 55.69 53.91 3a2w s MET 140 Cb -0.02 -0.77 -0.02 0.00 2.01 0.00 0.00 34.83 36.02 3a2w s MET 140 CO 0.06 -0.10 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.21 3a2w s LEU 141 N 0.99 2.12 -0.34 -0.03 1.43 -0.24 -4.97 118.68 117.65 3a2w s LEU 141 Ca -0.10 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3a2w s LEU 141 Cb -0.14 -1.25 0.11 0.00 0.03 0.00 0.00 46.19 44.94 3a2w s LEU 141 CO -0.01 0.26 0.12 -0.31 0.23 0.00 0.00 176.35 176.65 3a2w s TYR 142 N -0.72 1.89 0.20 0.29 1.51 -1.26 -0.70 117.35 118.57 3a2w s TYR 142 Ca 0.10 -1.95 -0.04 0.00 -1.01 0.00 0.00 57.07 54.17 3a2w s TYR 142 Cb -0.10 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 3a2w s TYR 142 CO 0.01 -0.87 0.44 0.71 -1.11 0.00 0.00 175.55 174.73 3a2w s TYR 143 N 1.33 3.47 0.80 2.71 1.51 -0.14 -4.97 117.35 122.06 3a2w s TYR 143 Ca 0.11 0.54 -0.10 0.00 -1.01 0.00 0.00 57.07 56.62 3a2w s TYR 143 Cb -0.19 -2.01 0.10 0.00 -0.11 0.00 0.00 41.96 39.76 3a2w s TYR 143 CO -0.19 0.34 1.13 -1.25 -1.11 0.00 0.00 175.55 174.47 3a2w s PRO 144 N -3.09 1.73 0.19 -1.71 0.04 -1.26 -1.41 135.00 129.49 3a2w s PRO 144 Ca 0.42 -0.25 -0.12 0.00 0.04 0.00 0.00 61.00 61.09 3a2w s PRO 144 Cb -0.11 -2.04 0.14 0.00 0.04 0.00 0.00 34.50 32.53 3a2w s PRO 144 CO 0.27 -1.63 1.83 0.52 0.04 0.00 0.00 177.00 178.03 3a2w h MET 145 N -0.97 0.72 -0.00 4.56 2.86 -1.96 -2.96 114.93 117.18 3a2w h MET 145 Ca -0.44 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3a2w h MET 145 Cb 1.30 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.80 3a2w h MET 145 CO 0.55 0.47 -0.00 -0.85 1.06 0.00 0.00 176.91 178.15 3a2w n GLU 146 N -4.73 1.08 -3.99 1.72 0.00 -1.26 -4.74 120.64 108.72 3a2w n GLU 146 Ca 0.06 -0.17 -0.30 0.00 0.00 0.00 0.00 57.16 56.75 3a2w n GLU 146 Cb 0.08 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 29.86 3a2w n GLU 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3a2w s LEU 147 N -2.03 2.27 0.63 -1.84 0.20 -1.12 -5.11 118.68 111.67 3a2w s LEU 147 Ca 0.45 -0.89 -0.15 0.00 0.69 0.00 0.00 54.13 54.23 3a2w s LEU 147 Cb 0.22 -1.21 -0.02 0.00 -0.43 0.00 0.00 46.19 44.74 3a2w s LEU 147 CO 0.37 -0.15 1.08 -0.83 -0.29 0.00 0.00 176.35 176.52 3a2w s GLY 148 N 1.41 2.10 0.64 7.98 0.00 -1.26 -4.46 107.32 113.72 3a2w s GLY 148 Ca -0.01 0.42 -0.08 0.00 0.00 0.00 0.00 44.72 45.05 3a2w s GLY 148 CO -0.08 0.75 0.99 0.50 0.00 0.00 0.00 173.10 175.26 3a2w s ARG 149 N -4.16 2.93 -0.59 2.90 0.52 -1.26 -5.03 118.95 114.26 3a2w s ARG 149 Ca 0.64 0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 55.98 3a2w s ARG 149 Cb -0.17 -2.16 0.15 0.00 0.52 0.00 0.00 34.95 33.29 3a2w s ARG 149 CO 0.40 -0.83 0.48 -1.17 0.02 0.00 0.00 175.30 174.21 3a2w s LEU 150 N -5.15 5.95 0.45 2.53 0.20 -1.26 -4.95 118.68 116.45 3a2w s LEU 150 Ca 0.56 -2.23 0.14 0.00 0.69 0.00 0.00 54.13 53.29 3a2w s LEU 150 Cb -0.11 -2.06 1.07 0.00 -0.43 0.00 0.00 46.19 44.66 3a2w s LEU 150 CO 0.48 -0.64 2.01 0.58 -0.29 0.00 0.00 176.35 178.50 3a2w h VAL 151 N 5.65 0.92 -0.08 1.68 2.07 -1.96 -2.28 116.25 122.25 3a2w h VAL 151 Ca -0.12 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3a2w h VAL 151 Cb 1.05 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3a2w h VAL 151 CO 0.84 0.06 -0.10 0.44 0.02 0.00 0.00 177.57 178.84 3a2w h ASP 152 N 0.34 0.10 0.64 0.57 3.32 -1.92 -1.25 116.42 118.22 3a2w h ASP 152 Ca 0.22 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3a2w h ASP 152 Cb 0.44 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3a2w h ASP 152 CO -0.05 0.22 -0.41 -0.08 -1.72 0.00 0.00 179.24 177.19 3a2w h GLU 153 N 0.11 0.00 -0.26 3.56 4.57 -1.77 -1.73 114.58 119.06 3a2w h GLU 153 Ca 0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 3a2w h GLU 153 Cb 0.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3a2w h GLU 153 CO 0.01 0.41 -0.38 0.82 -1.18 0.00 0.00 179.01 178.70 3a2w h ILE 154 N 0.00 1.29 -0.35 2.32 2.04 -1.29 -1.41 117.51 120.12 3a2w h ILE 154 Ca -0.00 -1.53 -0.14 0.00 1.00 0.00 0.00 64.86 64.19 3a2w h ILE 154 Cb 0.85 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3a2w h ILE 154 CO 0.05 0.49 -0.33 -0.07 0.00 0.00 0.00 178.15 178.29 3a2w h LEU 155 N 0.50 0.89 -0.15 1.44 3.38 -1.20 -2.32 115.31 117.84 3a2w h LEU 155 Ca 0.05 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.58 3a2w h LEU 155 Cb 0.88 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3a2w h LEU 155 CO 0.08 1.17 0.02 -0.09 0.09 0.00 0.00 178.44 179.70 3a2w h ARG 156 N 0.62 0.07 -0.18 1.13 2.43 -1.14 0.16 114.38 117.47 3a2w h ARG 156 Ca 0.06 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3a2w h ARG 156 Cb 0.91 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.37 3a2w h ARG 156 CO 0.08 0.05 -0.33 0.82 -1.51 0.00 0.00 179.97 179.08 3a2w h ILE 157 N 0.07 0.26 -0.32 1.20 2.04 -1.13 0.92 117.51 120.55 3a2w h ILE 157 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3a2w h ILE 157 Cb 0.07 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3a2w h ILE 157 CO -0.10 0.00 0.19 0.58 0.00 0.00 0.00 178.15 178.82 3a2w h VAL 158 N -0.38 1.03 0.19 1.67 2.07 -1.10 -0.39 116.25 119.35 3a2w h VAL 158 Ca 0.11 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3a2w h VAL 158 Cb 0.55 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3a2w h VAL 158 CO -0.39 0.07 -0.18 0.50 0.02 0.00 0.00 177.57 177.59 3a2w h LYS 159 N 0.38 -0.39 -0.51 1.57 1.63 -0.43 -1.16 116.57 117.67 3a2w h LYS 159 Ca 0.13 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 3a2w h LYS 159 Cb 0.00 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 3a2w h LYS 159 CO -0.06 -0.26 0.29 0.00 -3.45 0.00 0.00 179.45 175.97 3a2w h ALA 160 N 0.36 0.66 -0.85 5.00 0.00 -0.71 -1.45 119.26 122.27 3a2w h ALA 160 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3a2w h ALA 160 Cb 0.37 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3a2w h ALA 160 CO -0.04 -0.03 0.54 1.25 0.00 0.00 0.00 179.25 180.97 3a2w h LEU 161 N 0.57 0.88 -0.16 0.00 5.85 -0.83 0.73 115.31 122.36 3a2w h LEU 161 Ca 0.21 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3a2w h LEU 161 Cb 0.07 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3a2w h LEU 161 CO -0.12 0.59 -0.07 0.11 -0.34 0.00 0.00 178.44 178.62 3a2w h LYS 162 N 1.03 0.32 -0.33 1.25 1.57 -0.82 -2.33 116.57 117.25 3a2w h LYS 162 Ca 0.35 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3a2w h LYS 162 Cb 0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3a2w h LYS 162 CO -0.13 0.64 0.15 -0.07 -0.57 0.00 0.00 179.45 179.46 3a2w h LEU 163 N -0.00 0.20 -0.71 2.94 3.38 -0.93 -0.07 115.31 120.12 3a2w h LEU 163 Ca 0.04 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3a2w h LEU 163 Cb 0.54 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3a2w h LEU 163 CO 0.02 0.15 0.35 1.23 0.09 0.00 0.00 178.44 180.28 3a2w h GLY 164 N 0.31 1.06 0.89 0.83 0.00 -0.83 0.35 103.07 105.68 3a2w h GLY 164 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3a2w h GLY 164 CO -0.12 0.05 -0.10 -0.55 0.00 0.00 0.00 176.54 175.82 3a2w h ASP 165 N 0.59 -0.24 0.62 0.19 3.32 -0.78 0.29 116.42 120.40 3a2w h ASP 165 Ca 0.35 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 3a2w h ASP 165 Cb 0.37 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3a2w h ASP 165 CO -0.27 -0.07 -0.41 0.77 -1.72 0.00 0.00 179.24 177.53 3a2w h SER 166 N -0.41 0.00 -0.05 6.45 4.64 -0.58 -3.10 113.55 120.50 3a2w h SER 166 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3a2w h SER 166 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3a2w h SER 166 CO 0.05 0.41 0.00 0.18 -0.87 0.00 0.00 176.83 176.60 3a2w n LEU 167 N -3.76 2.92 -3.70 5.97 4.32 0.12 -4.99 117.00 117.88 3a2w n LEU 167 Ca -0.01 -1.04 -0.24 0.00 -0.02 0.00 0.00 56.01 54.70 3a2w n LEU 167 Cb 0.49 -0.02 0.03 0.00 -1.62 0.00 0.00 43.42 42.30 3a2w n LEU 167 CO 0.38 0.50 -0.09 0.29 -1.22 0.00 0.00 177.39 177.25 3a2w n LYS 168 N 1.28 -3.42 -4.03 3.23 4.01 0.91 -4.98 118.16 115.15 3a2w n LYS 168 Ca 0.14 0.56 -0.08 0.00 -0.51 0.00 0.00 58.31 58.42 3a2w n LYS 168 Cb 0.57 -4.84 -0.10 0.00 -0.51 0.00 0.00 35.03 30.15 3a2w n LYS 168 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3a2w s ARG 169 N -5.95 0.59 0.08 1.97 1.81 -0.56 -4.65 118.95 112.24 3a2w s ARG 169 Ca 0.16 -1.06 -0.01 0.00 -1.72 0.00 0.00 55.73 53.11 3a2w s ARG 169 Cb -0.05 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.62 3a2w s ARG 169 CO 0.83 -0.12 0.24 0.00 -0.68 0.00 0.00 175.30 175.58 3a2w s ALA 170 N -3.42 3.97 -0.24 2.13 0.00 0.20 -4.42 121.76 119.98 3a2w s ALA 170 Ca 0.02 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 3a2w s ALA 170 Cb 0.04 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 3a2w s ALA 170 CO -0.08 0.79 0.09 0.08 0.00 0.00 0.00 175.76 176.64 3a2w s VAL 171 N -1.54 4.58 1.04 0.00 1.01 -1.26 -0.06 120.40 124.17 3a2w s VAL 171 Ca 0.36 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 3a2w s VAL 171 Cb -0.13 -3.13 0.21 0.00 0.00 0.00 0.00 36.38 33.33 3a2w s VAL 171 CO 0.27 0.35 1.09 -2.16 0.00 0.00 0.00 175.10 174.66 3a2w s PRO 172 N 1.33 0.08 0.48 2.72 0.04 -1.26 -4.97 135.00 133.42 3a2w s PRO 172 Ca 0.05 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.30 3a2w s PRO 172 Cb -0.15 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 3a2w s PRO 172 CO 0.04 -2.95 1.34 0.00 0.04 0.00 0.00 177.00 175.48 3a2w s ALA 173 N -2.94 3.06 -0.94 8.56 0.00 -1.26 -2.97 121.76 125.27 3a2w s ALA 173 Ca 0.66 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.92 3a2w s ALA 173 Cb -0.18 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3a2w s ALA 173 CO 0.58 -1.11 0.00 -0.25 0.00 0.00 0.00 175.76 174.97 3a2w n ASP 174 N -0.47 -5.64 -4.66 0.00 8.00 -1.26 -3.95 116.55 108.57 3a2w n ASP 174 Ca 0.07 0.22 -0.41 0.00 0.71 0.00 0.00 54.79 55.38 3a2w n ASP 174 Cb 0.44 -3.92 0.01 0.00 -0.02 0.00 0.00 41.12 37.63 3a2w n ASP 174 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3a2w n TRP 175 N -2.22 1.72 0.47 1.24 -0.00 -1.16 -0.09 117.44 117.40 3a2w n TRP 175 Ca -0.09 0.53 0.01 0.00 -0.00 0.00 0.00 57.50 57.95 3a2w n TRP 175 Cb 0.55 -2.31 0.11 0.00 -0.00 0.00 0.00 31.31 29.66 3a2w n TRP 175 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3a2w n PRO 176 N 0.05 2.05 -2.28 5.87 -0.04 -1.26 -4.91 135.00 134.47 3a2w n PRO 176 Ca 0.08 -0.87 -0.27 0.00 -0.04 0.00 0.00 63.50 62.40 3a2w n PRO 176 Cb 0.39 -1.69 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 3a2w n PRO 176 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3a2w n ASN 177 N 0.17 4.93 -4.75 3.54 3.02 0.86 -3.06 115.26 119.97 3a2w n ASN 177 Ca 0.08 -3.74 -0.41 0.00 -0.03 0.00 0.00 54.58 50.49 3a2w n ASN 177 Cb 0.53 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 3a2w n ASN 177 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3a2w s ASN 178 N -3.45 6.94 0.29 6.41 3.84 -0.07 -4.87 114.94 124.03 3a2w s ASN 178 Ca 0.49 2.44 0.24 0.00 0.21 0.00 0.00 52.86 56.24 3a2w s ASN 178 Cb 0.41 -2.62 1.05 0.00 -0.55 0.00 0.00 41.25 39.54 3a2w s ASN 178 CO -0.12 -0.46 1.72 -0.62 -2.79 0.00 0.00 177.10 174.84 3a2w n GLU 179 N 1.94 0.20 -0.11 0.43 4.71 -1.26 0.19 120.64 126.73 3a2w n GLU 179 Ca 0.03 0.48 -0.18 0.00 -0.01 0.00 0.00 57.16 57.48 3a2w n GLU 179 Cb 0.43 -1.92 -0.10 0.00 -1.01 0.00 0.00 31.44 28.85 3a2w n GLU 179 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3a2w n ILE 180 N -2.29 1.27 -0.62 -3.67 5.41 -1.26 -4.73 119.36 113.46 3a2w n ILE 180 Ca 0.01 -0.44 0.03 0.00 1.00 0.00 0.00 62.75 63.36 3a2w n ILE 180 Cb 0.19 -1.44 0.04 0.00 -0.71 0.00 0.00 39.64 37.73 3a2w n ILE 180 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3a2w n ILE 181 N -3.41 1.05 0.00 1.39 -5.35 -1.24 -5.08 119.36 106.72 3a2w n ILE 181 Ca -0.41 -1.17 0.00 0.00 -0.27 0.00 0.00 62.75 60.90 3a2w n ILE 181 Cb 0.89 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 3a2w n ILE 181 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a2w n GLY 182 N -0.68 1.22 1.16 3.28 0.00 0.13 -0.90 105.19 109.41 3a2w n GLY 182 Ca 0.05 0.46 0.10 0.00 0.00 0.00 0.00 46.02 46.63 3a2w n GLY 182 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a2w n GLU 183 N 0.00 2.74 -2.30 1.61 0.28 -1.17 -0.89 120.64 120.91 3a2w n GLU 183 Ca 0.00 -2.49 -0.34 0.00 -0.16 0.00 0.00 57.16 54.17 3a2w n GLU 183 Cb 0.00 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.37 3a2w n GLU 183 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3a2w s GLY 184 N -1.02 2.49 0.13 -1.84 0.00 -0.08 -4.84 107.32 102.16 3a2w s GLY 184 Ca 0.42 0.67 0.06 0.00 0.00 0.00 0.00 44.72 45.87 3a2w s GLY 184 CO 0.29 1.01 0.02 1.08 0.00 0.00 0.00 173.10 175.50 3a2w s LEU 185 N -3.85 3.45 -0.01 0.66 1.43 -0.70 -4.62 118.68 115.05 3a2w s LEU 185 Ca 0.69 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 3a2w s LEU 185 Cb -0.20 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.82 3a2w s LEU 185 CO 0.27 0.13 0.44 -0.63 0.23 0.00 0.00 176.35 176.79 3a2w s ILE 186 N -1.52 5.01 -0.11 -0.59 1.01 0.91 -2.30 121.20 123.60 3a2w s ILE 186 Ca 0.27 0.92 -0.25 0.00 0.00 0.00 0.00 60.65 61.59 3a2w s ILE 186 Cb -0.11 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 3a2w s ILE 186 CO 0.19 0.53 0.79 -0.69 0.00 0.00 0.00 174.94 175.77 3a2w s VAL 187 N -0.79 4.95 -0.01 2.92 1.01 -0.76 0.62 120.40 128.34 3a2w s VAL 187 Ca 0.25 1.60 -0.36 0.00 0.00 0.00 0.00 61.98 63.47 3a2w s VAL 187 Cb -0.17 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 31.95 3a2w s VAL 187 CO 0.14 0.13 1.63 -2.65 0.00 0.00 0.00 175.10 174.35 3a2w n PRO 188 N 4.49 1.72 -1.62 2.72 -0.02 -1.26 -4.57 135.00 136.45 3a2w n PRO 188 Ca 0.02 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.76 3a2w n PRO 188 Cb 0.50 -2.37 0.07 0.00 -0.02 0.00 0.00 33.50 31.69 3a2w n PRO 188 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3a2w n PRO 189 N 4.42 0.92 -1.88 0.52 -0.04 -1.26 -4.99 135.00 132.70 3a2w n PRO 189 Ca 0.21 0.37 -0.35 0.00 -0.04 0.00 0.00 63.50 63.69 3a2w n PRO 189 Cb 0.23 -2.40 0.04 0.00 -0.04 0.00 0.00 33.50 31.34 3a2w n PRO 189 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3a2w s PRO 190 N -3.26 2.84 0.00 0.54 0.02 -1.26 -4.95 135.00 128.92 3a2w s PRO 190 Ca 0.80 1.65 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3a2w s PRO 190 Cb -0.38 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.21 3a2w s PRO 190 CO 0.43 -1.27 0.78 0.25 -0.33 0.00 0.00 177.00 176.87 3a2w n THR 191 N -1.98 0.59 -4.09 0.99 -2.24 -1.26 -4.88 114.28 101.42 3a2w n THR 191 Ca 0.12 -0.77 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 3a2w n THR 191 Cb 0.51 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 3a2w n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a2w s THR 192 N -0.59 0.34 0.22 4.28 -4.23 -1.26 -5.04 115.64 109.36 3a2w s THR 192 Ca 0.00 -1.61 -0.08 0.00 -1.18 0.00 0.00 61.69 58.82 3a2w s THR 192 Cb 0.00 -1.24 0.19 0.00 1.34 0.00 0.00 72.50 72.78 3a2w s THR 192 CO 0.00 -0.82 1.88 -0.33 -0.54 0.00 0.00 174.62 174.80 3a2w h GLU 193 N 3.51 1.01 -0.17 3.99 5.08 -1.99 -1.16 114.58 124.84 3a2w h GLU 193 Ca -0.34 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 3a2w h GLU 193 Cb 1.16 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3a2w h GLU 193 CO 0.59 0.67 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.77 3a2w h ASP 194 N 1.04 0.24 -0.04 1.42 3.32 -1.99 -1.47 116.42 118.93 3a2w h ASP 194 Ca 0.32 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.21 3a2w h ASP 194 Cb -0.03 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.46 3a2w h ASP 194 CO -0.10 0.34 -0.44 1.56 -1.72 0.00 0.00 179.24 178.88 3a2w h GLN 195 N 0.25 0.37 -0.73 3.56 4.20 -1.79 -1.54 115.11 119.44 3a2w h GLN 195 Ca 0.06 -0.35 0.08 0.00 0.06 0.00 0.00 58.65 58.50 3a2w h GLN 195 Cb 0.28 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3a2w h GLN 195 CO 0.01 1.01 0.48 0.00 -0.67 0.00 0.00 178.83 179.66 3a2w h ALA 196 N 0.37 1.76 0.11 3.87 0.00 -0.89 0.20 119.26 124.69 3a2w h ALA 196 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a2w h ALA 196 Cb 1.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3a2w h ALA 196 CO 0.09 0.10 -0.05 -0.09 0.00 0.00 0.00 179.25 179.30 3a2w h ARG 197 N 0.70 -0.15 -0.70 0.00 2.43 -1.26 -2.66 114.38 112.75 3a2w h ARG 197 Ca 0.33 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.59 3a2w h ARG 197 Cb 0.36 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 3a2w h ARG 197 CO -0.11 0.33 0.36 0.00 -1.51 0.00 0.00 179.97 179.04 3a2w h ALA 198 N -0.01 0.95 -0.48 2.80 0.00 -0.75 0.35 119.26 122.12 3a2w h ALA 198 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a2w h ALA 198 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3a2w h ALA 198 CO 0.03 -0.01 0.29 -0.09 0.00 0.00 0.00 179.25 179.46 3a2w h ARG 199 N 0.63 0.65 0.14 0.00 9.65 -0.68 -2.20 114.38 122.57 3a2w h ARG 199 Ca 0.33 -0.05 -0.26 0.00 -1.10 0.00 0.00 59.98 58.90 3a2w h ARG 199 Cb 0.31 -0.14 0.03 0.00 -1.39 0.00 0.00 29.97 28.78 3a2w h ARG 199 CO -0.24 0.46 -1.10 1.98 2.80 0.00 0.00 179.97 183.86 3a2w h MET 200 N 0.66 0.50 0.00 0.20 4.05 -0.66 -3.27 114.93 116.42 3a2w h MET 200 Ca 0.17 -0.73 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 3a2w h MET 200 Cb -0.02 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 3a2w h MET 200 CO -0.03 1.33 0.00 0.39 0.23 0.00 0.00 176.91 178.82 3a2w n GLU 201 N -3.92 0.85 -0.08 0.39 1.02 0.10 -3.34 120.64 115.66 3a2w n GLU 201 Ca -0.14 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.90 3a2w n GLU 201 Cb 0.93 -1.19 -0.16 0.00 -0.02 0.00 0.00 31.44 31.00 3a2w n GLU 201 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3a2w n SER 202 N -0.69 0.18 -0.78 1.62 3.41 -0.85 -4.97 113.62 111.54 3a2w n SER 202 Ca 0.08 0.09 -0.09 0.00 -0.26 0.00 0.00 58.87 58.68 3a2w n SER 202 Cb 0.04 0.79 -0.04 0.00 -0.26 0.00 0.00 64.21 64.73 3a2w n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a2w n GLY 203 N 1.71 0.88 0.20 5.00 0.00 -1.21 -4.84 105.19 106.93 3a2w n GLY 203 Ca -0.29 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.82 3a2w n GLY 203 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3a2w h GLN 204 N 0.00 0.00 -5.80 1.61 3.07 -1.91 -3.46 115.11 108.63 3a2w h GLN 204 Ca -0.19 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 58.05 3a2w h GLN 204 Cb 1.03 0.00 -0.16 0.00 0.08 0.00 0.00 27.48 28.43 3a2w h GLN 204 CO 0.28 0.21 -0.76 0.71 0.09 0.00 0.00 178.83 179.36 3a2w s TYR 205 N -3.27 1.81 -0.06 0.06 1.51 -1.26 -5.07 117.35 111.06 3a2w s TYR 205 Ca 0.04 -0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 55.30 3a2w s TYR 205 Cb 0.07 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 3a2w s TYR 205 CO 0.67 0.37 1.07 1.03 -1.11 0.00 0.00 175.55 177.59 3a2w s ARG 206 N -3.18 4.43 0.02 -0.62 0.52 -1.12 -4.86 118.95 114.13 3a2w s ARG 206 Ca 0.19 1.51 0.03 0.00 -0.52 0.00 0.00 55.73 56.94 3a2w s ARG 206 Cb -0.04 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 3a2w s ARG 206 CO 0.07 -0.30 -0.09 0.00 0.02 0.00 0.00 175.30 175.01 3a2w n LEU 208 N 2.24 1.04 -3.86 0.00 4.32 0.11 -4.99 117.00 115.85 3a2w n LEU 208 Ca -0.17 0.32 -0.08 0.00 -0.02 0.00 0.00 56.01 56.06 3a2w n LEU 208 Cb 0.56 0.02 -0.01 0.00 -1.62 0.00 0.00 43.42 42.37 3a2w n LEU 208 CO 0.23 0.48 0.46 -0.62 -1.22 0.00 0.00 177.39 176.72 3a2w s ASP 209 N -6.14 -0.17 0.67 -1.43 -1.08 -1.23 -4.98 116.67 102.32 3a2w s ASP 209 Ca -0.09 -0.77 0.40 0.00 -0.52 0.00 0.00 52.55 51.57 3a2w s ASP 209 Cb 0.08 0.75 2.18 0.00 -1.46 0.00 0.00 42.92 44.47 3a2w s ASP 209 CO 0.81 -1.41 2.24 4.11 0.52 0.00 0.00 175.17 181.44 3a2w h TRP 210 N 2.02 0.00 -0.02 -5.34 5.08 -1.94 -1.55 115.95 114.20 3a2w h TRP 210 Ca -0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.74 3a2w h TRP 210 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 3a2w h TRP 210 CO 0.66 0.00 -0.10 -2.67 -1.28 0.00 0.00 178.44 175.05 3a2w n TRP 211 N -3.05 0.00 -3.70 0.12 4.27 -1.26 -4.36 117.44 109.46 3a2w n TRP 211 Ca -0.03 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.30 3a2w n TRP 211 Cb 0.17 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.00 3a2w n TRP 211 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3a2w s PHE 212 N -1.66 2.28 0.19 -2.67 5.99 -0.58 -4.53 117.98 117.00 3a2w s PHE 212 Ca 0.19 -2.70 0.09 0.00 0.00 0.00 0.00 56.93 54.51 3a2w s PHE 212 Cb 0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 43.02 41.20 3a2w s PHE 212 CO 0.29 -0.72 -0.19 0.00 -0.00 0.00 0.00 175.22 174.60 3a2w s TRP 214 N -2.18 -0.08 0.00 0.00 -2.14 -0.38 -1.82 118.94 112.33 3a2w s TRP 214 Ca 0.19 -0.33 0.00 0.00 2.66 0.00 0.00 56.10 58.62 3a2w s TRP 214 Cb -0.05 0.70 0.00 0.00 -3.10 0.00 0.00 33.47 31.01 3a2w s TRP 214 CO 0.08 -1.06 0.00 -0.40 -2.66 0.00 0.00 176.95 172.91 3a2w n ASP 215 N -0.70 0.00 -3.22 -2.66 5.68 -0.97 -2.81 116.55 111.85 3a2w n ASP 215 Ca -0.05 -0.12 -0.24 0.00 -0.50 0.00 0.00 54.79 53.88 3a2w n ASP 215 Cb 0.60 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.52 3a2w n ASP 215 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3a2w n THR 216 N 0.00 0.31 0.74 2.12 -2.24 -1.26 -1.72 114.28 112.22 3a2w n THR 216 Ca 0.00 -4.48 0.13 0.00 -2.27 0.00 0.00 64.05 57.44 3a2w n THR 216 Cb 0.00 -1.67 0.47 0.00 -2.10 0.00 0.00 70.33 67.03 3a2w n THR 216 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3a2w n PRO 217 N 0.99 0.18 -2.59 -0.78 -0.04 -1.26 -4.85 135.00 126.65 3a2w n PRO 217 Ca 0.24 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 3a2w n PRO 217 Cb 0.52 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 3a2w n PRO 217 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a2w s ALA 218 N -3.07 3.39 0.98 0.55 0.00 -1.26 -5.01 121.76 117.33 3a2w s ALA 218 Ca 0.12 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 3a2w s ALA 218 Cb 0.14 -3.44 0.18 0.00 0.00 0.00 0.00 23.12 20.00 3a2w s ALA 218 CO 0.58 -0.57 1.11 -1.54 0.00 0.00 0.00 175.76 175.34 3a2w s SER 219 N 1.19 2.42 0.17 0.00 1.04 -1.26 -4.73 113.70 112.52 3a2w s SER 219 Ca 0.52 2.01 -0.14 0.00 0.48 0.00 0.00 55.95 58.82 3a2w s SER 219 Cb -0.22 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.45 3a2w s SER 219 CO 0.22 -3.39 1.81 0.03 0.98 0.00 0.00 173.24 172.90 3a2w h ARG 220 N -2.06 0.68 -0.14 4.02 -0.00 -1.98 -1.18 114.38 113.71 3a2w h ARG 220 Ca -0.48 -0.05 0.04 0.00 -0.50 0.00 0.00 59.98 58.99 3a2w h ARG 220 Cb 1.28 -0.15 -0.05 0.00 0.00 0.00 0.00 29.97 31.06 3a2w h ARG 220 CO 0.44 0.48 -0.14 -0.44 0.00 0.00 0.00 179.97 180.30 3a2w h ASP 221 N 0.68 -0.45 0.17 7.04 5.19 -1.98 0.52 116.42 127.59 3a2w h ASP 221 Ca 0.18 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.69 3a2w h ASP 221 Cb -0.03 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 3a2w h ASP 221 CO -0.04 -0.19 -0.20 0.44 -3.12 0.00 0.00 179.24 176.13 3a2w h ASP 222 N -0.17 -0.55 -0.31 6.45 3.32 -1.85 -0.46 116.42 122.85 3a2w h ASP 222 Ca 0.10 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.26 3a2w h ASP 222 Cb 0.31 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 3a2w h ASP 222 CO -0.24 -0.30 -0.04 0.58 -1.72 0.00 0.00 179.24 177.52 3a2w h VAL 223 N -0.42 0.74 -0.98 -1.35 2.07 -0.79 -1.99 116.25 113.52 3a2w h VAL 223 Ca 0.01 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.58 3a2w h VAL 223 Cb 0.41 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3a2w h VAL 223 CO -0.07 0.01 0.63 -0.33 0.02 0.00 0.00 177.57 177.83 3a2w h GLU 224 N 0.04 1.10 -0.62 1.57 5.08 0.37 -1.60 114.58 120.52 3a2w h GLU 224 Ca 0.15 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3a2w h GLU 224 Cb 0.21 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3a2w h GLU 224 CO -0.28 0.73 0.25 1.49 -1.00 0.00 0.00 179.01 180.19 3a2w h GLU 225 N 1.13 0.93 -0.55 2.33 4.81 -0.37 -0.51 114.58 122.35 3a2w h GLU 225 Ca 0.43 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3a2w h GLU 225 Cb 0.19 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3a2w h GLU 225 CO -0.18 0.79 0.28 0.00 -0.73 0.00 0.00 179.01 179.18 3a2w h ALA 226 N 1.10 0.71 -0.49 2.92 0.00 -0.86 -2.21 119.26 120.42 3a2w h ALA 226 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3a2w h ALA 226 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3a2w h ALA 226 CO -0.02 0.25 0.08 0.00 0.00 0.00 0.00 179.25 179.56 3a2w h ARG 227 N 0.74 0.76 -0.36 0.00 3.08 -1.06 -2.65 114.38 114.89 3a2w h ARG 227 Ca 0.19 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 60.13 3a2w h ARG 227 Cb 0.08 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3a2w h ARG 227 CO -0.03 0.71 0.10 -0.09 -1.07 0.00 0.00 179.97 179.59 3a2w h ARG 228 N 0.73 0.22 -0.09 0.04 2.43 -0.52 0.20 114.38 117.39 3a2w h ARG 228 Ca 0.16 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3a2w h ARG 228 Cb 0.33 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 3a2w h ARG 228 CO 0.00 0.15 -0.31 1.88 -1.51 0.00 0.00 179.97 180.18 3a2w h TYR 229 N 0.23 -0.85 -0.74 2.20 0.99 -1.06 -1.12 116.97 116.61 3a2w h TYR 229 Ca 0.17 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.88 3a2w h TYR 229 Cb 0.17 0.39 -0.03 0.00 1.00 0.00 0.00 36.73 38.26 3a2w h TYR 229 CO -0.17 -0.39 0.28 -0.07 -0.00 0.00 0.00 178.16 177.81 3a2w h LEU 230 N -0.41 1.04 -0.87 3.88 3.38 -1.31 -2.41 115.31 118.61 3a2w h LEU 230 Ca 0.09 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3a2w h LEU 230 Cb 0.54 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3a2w h LEU 230 CO -0.32 0.94 0.56 0.03 0.09 0.00 0.00 178.44 179.74 3a2w h ARG 231 N 1.08 1.04 -0.56 1.13 3.08 -0.14 -0.92 114.38 119.08 3a2w h ARG 231 Ca 0.25 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 3a2w h ARG 231 Cb 0.24 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3a2w h ARG 231 CO -0.02 0.69 0.05 -0.09 -1.07 0.00 0.00 179.97 179.53 3a2w h ARG 232 N 1.07 0.93 -0.17 0.04 2.43 -0.91 -0.07 114.38 117.70 3a2w h ARG 232 Ca 0.35 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3a2w h ARG 232 Cb 0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3a2w h ARG 232 CO -0.13 0.89 -0.31 0.00 -1.51 0.00 0.00 179.97 178.91 3a2w h ALA 233 N 1.18 1.17 0.00 2.80 0.00 -0.88 -3.03 119.26 120.50 3a2w h ALA 233 Ca 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3a2w h ALA 233 Cb 0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3a2w h ALA 233 CO 0.02 0.54 -0.34 0.00 0.00 0.00 0.00 179.25 179.46 3a2w h ALA 234 N 1.39 0.83 -2.73 0.00 0.00 -0.71 -3.46 119.26 114.59 3a2w h ALA 234 Ca 0.04 -0.10 -0.50 0.00 0.00 0.00 0.00 54.91 54.35 3a2w h ALA 234 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3a2w h ALA 234 CO 0.05 0.12 0.38 -2.00 0.00 0.00 0.00 179.25 177.81 3a2w s GLU 235 N -3.20 4.78 -0.10 0.00 2.12 -0.08 -5.02 118.70 117.21 3a2w s GLU 235 Ca 0.05 1.55 -0.27 0.00 0.36 0.00 0.00 54.97 56.65 3a2w s GLU 235 Cb 0.06 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 3a2w s GLU 235 CO 0.71 0.40 0.90 0.21 -0.54 0.00 0.00 175.26 176.94 3a2w s LYS 236 N -1.02 4.42 0.14 4.30 2.20 -1.26 -4.98 119.74 123.54 3a2w s LYS 236 Ca 0.43 1.21 -0.35 0.00 -0.36 0.00 0.00 55.97 56.90 3a2w s LYS 236 Cb -0.27 -3.52 -0.15 0.00 -1.51 0.00 0.00 37.83 32.38 3a2w s LYS 236 CO 0.33 -0.21 1.47 -0.35 -0.36 0.00 0.00 175.35 176.23 3a2w n PRO 237 N 4.66 1.73 -0.12 4.03 -0.04 -1.26 -4.92 135.00 139.08 3a2w n PRO 237 Ca 0.05 0.62 -0.13 0.00 -0.04 0.00 0.00 63.50 64.01 3a2w n PRO 237 Cb 0.50 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 3a2w n PRO 237 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a2w h ALA 238 N 5.26 0.53 -3.29 0.55 0.00 -2.04 -3.44 119.26 116.83 3a2w h ALA 238 Ca -0.46 -0.40 -0.36 0.00 0.00 0.00 0.00 54.91 53.69 3a2w h ALA 238 Cb 1.29 -0.12 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 3a2w h ALA 238 CO 0.84 0.54 -0.76 0.15 0.00 0.00 0.00 179.25 180.02 3a2w s LYS 239 N -4.50 0.71 -0.15 0.00 1.02 -1.26 -5.15 119.74 110.41 3a2w s LYS 239 Ca -0.12 -0.89 -0.03 0.00 0.02 0.00 0.00 55.97 54.95 3a2w s LYS 239 Cb 0.10 -0.61 -0.03 0.00 -0.52 0.00 0.00 37.83 36.77 3a2w s LYS 239 CO 0.85 0.13 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.85 3a2w s LEU 240 N -1.71 3.18 0.61 3.17 1.43 -1.26 -4.98 118.68 119.12 3a2w s LEU 240 Ca -0.05 -0.15 0.31 0.00 -1.03 0.00 0.00 54.13 53.20 3a2w s LEU 240 Cb -0.10 -1.76 1.66 0.00 0.03 0.00 0.00 46.19 46.02 3a2w s LEU 240 CO 0.01 0.17 1.92 -0.07 0.23 0.00 0.00 176.35 178.62 3a2w h LEU 241 N 6.69 0.00 0.03 1.79 3.38 -2.01 -2.01 115.31 123.18 3a2w h LEU 241 Ca -0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3a2w h LEU 241 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3a2w h LEU 241 CO 0.62 0.00 -0.01 0.22 0.09 0.00 0.00 178.44 179.36 3a2w h TYR 242 N 0.00 -0.04 0.00 1.13 3.20 -1.94 -3.08 116.97 116.25 3a2w h TYR 242 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3a2w h TYR 242 Cb 0.49 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3a2w h TYR 242 CO 0.00 0.30 0.00 0.93 -1.64 0.00 0.00 178.16 177.75 3a2w h GLU 243 N -0.38 0.00 -0.02 1.82 5.08 -1.79 -3.52 114.58 115.77 3a2w h GLU 243 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a2w h GLU 243 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3a2w h GLU 243 CO 0.01 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.41