#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2w s GLY 3 N 0.00 1.34 -0.00 0.55 0.00 -1.26 -5.08 107.32 102.87 3a2w s GLY 3 Ca 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 44.72 43.26 3a2w s GLY 3 CO 0.00 -1.03 0.10 -0.45 0.00 0.00 0.00 173.10 171.73 3a2w s SER 4 N -3.18 5.83 0.05 1.64 0.15 -1.26 -5.09 113.70 111.83 3a2w s SER 4 Ca 0.31 0.19 -0.06 0.00 0.70 0.00 0.00 55.95 57.09 3a2w s SER 4 Cb 0.01 -1.71 -0.01 0.00 -1.71 0.00 0.00 66.02 62.60 3a2w s SER 4 CO 0.17 0.27 0.11 0.27 1.20 0.00 0.00 173.24 175.25 3a2w s ILE 5 N -1.23 0.14 0.82 6.45 -4.36 -1.26 -3.27 121.20 118.49 3a2w s ILE 5 Ca 0.24 -1.15 -0.11 0.00 -0.26 0.00 0.00 60.65 59.36 3a2w s ILE 5 Cb -0.12 -1.02 0.08 0.00 1.25 0.00 0.00 42.46 42.65 3a2w s ILE 5 CO 0.15 -0.64 1.09 -2.16 0.24 0.00 0.00 174.94 173.63 3a2w s PRO 6 N -2.92 1.88 0.22 0.37 0.04 -1.26 -5.01 135.00 128.31 3a2w s PRO 6 Ca -0.02 0.77 0.10 0.00 0.04 0.00 0.00 61.00 61.90 3a2w s PRO 6 Cb 0.01 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 3a2w s PRO 6 CO -0.06 -1.80 -0.20 -0.51 0.04 0.00 0.00 177.00 174.47 3a2w s LEU 7 N -5.93 2.51 0.35 -3.56 1.43 -1.26 -5.09 118.68 107.13 3a2w s LEU 7 Ca 0.61 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 3a2w s LEU 7 Cb -0.16 -0.99 -0.11 0.00 0.03 0.00 0.00 46.19 44.96 3a2w s LEU 7 CO 0.55 0.01 1.53 -0.38 0.23 0.00 0.00 176.35 178.30 3a2w n ILE 8 N -0.13 1.62 0.00 -0.59 5.41 -1.26 -1.59 119.36 122.82 3a2w n ILE 8 Ca -0.09 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.25 3a2w n ILE 8 Cb 0.58 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 3a2w n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3a2w n GLY 9 N 1.12 3.21 3.86 7.39 0.00 -0.40 -5.01 105.19 115.37 3a2w n GLY 9 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.47 3.89 0.36 1.61 2.02 -0.62 -4.80 118.70 120.70 3a2w s GLU 10 Ca 0.00 0.64 -0.25 0.00 0.02 0.00 0.00 54.97 55.37 3a2w s GLU 10 Cb 0.00 -2.35 -0.09 0.00 0.10 0.00 0.00 34.13 31.79 3a2w s GLU 10 CO 0.00 -0.02 1.05 0.50 0.02 0.00 0.00 175.26 176.81 3a2w s ARG 11 N -3.61 4.31 0.21 1.61 3.52 -1.26 -0.89 118.95 122.84 3a2w s ARG 11 Ca 0.54 1.56 -0.32 0.00 -0.13 0.00 0.00 55.73 57.38 3a2w s ARG 11 Cb -0.10 -2.72 -0.13 0.00 -1.56 0.00 0.00 34.95 30.44 3a2w s ARG 11 CO 0.26 -0.02 1.57 0.34 -0.81 0.00 0.00 175.30 176.64 3a2w n PHE 12 N 0.28 2.42 -1.57 5.12 7.35 0.55 -4.80 117.46 126.81 3a2w n PHE 12 Ca 0.03 0.26 -0.48 0.00 -0.76 0.00 0.00 57.45 56.50 3a2w n PHE 12 Cb 0.48 -2.56 -0.05 0.00 0.35 0.00 0.00 39.48 37.70 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 3.05 1.69 -1.68 -7.13 -0.04 -1.26 -4.57 135.00 125.06 3a2w n PRO 13 Ca 0.14 0.53 -0.45 0.00 -0.04 0.00 0.00 63.50 63.68 3a2w n PRO 13 Cb 0.32 -2.73 -0.04 0.00 -0.04 0.00 0.00 33.50 31.01 3a2w n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3a2w n GLU 14 N 7.80 2.22 -3.57 0.54 2.13 -1.26 -4.68 120.64 123.81 3a2w n GLU 14 Ca 0.32 0.80 -0.12 0.00 0.66 0.00 0.00 57.16 58.81 3a2w n GLU 14 Cb 0.31 -2.56 -0.06 0.00 0.27 0.00 0.00 31.44 29.40 3a2w n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a2w s MET 15 N 0.68 0.69 -0.18 5.31 0.23 -0.36 -5.01 119.30 120.67 3a2w s MET 15 Ca 0.76 0.24 -0.09 0.00 -1.03 0.00 0.00 55.69 55.58 3a2w s MET 15 Cb -0.65 0.33 -0.05 0.00 -1.53 0.00 0.00 34.83 32.93 3a2w s MET 15 CO 0.39 -0.20 0.11 -2.00 -2.03 0.00 0.00 175.02 171.30 3a2w s GLU 16 N -0.94 3.96 0.10 3.16 2.12 -1.26 -0.10 118.70 125.73 3a2w s GLU 16 Ca -0.03 -0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.10 3a2w s GLU 16 Cb -0.01 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 3a2w s GLU 16 CO 0.03 0.40 -0.10 0.14 -0.54 0.00 0.00 175.26 175.18 3a2w s VAL 17 N 0.06 0.98 -0.24 3.70 -7.23 -0.30 -4.99 120.40 112.38 3a2w s VAL 17 Ca 0.08 -1.63 -0.10 0.00 -1.81 0.00 0.00 61.98 58.52 3a2w s VAL 17 Cb -0.11 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 3a2w s VAL 17 CO -0.00 -0.54 0.15 -0.89 -0.31 0.00 0.00 175.10 173.51 3a2w s THR 18 N -2.38 5.29 0.39 5.32 2.01 -1.26 -1.42 115.64 123.59 3a2w s THR 18 Ca 0.05 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.27 3a2w s THR 18 Cb -0.03 -3.46 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 3a2w s THR 18 CO 0.00 0.35 0.03 0.42 -0.69 0.00 0.00 174.62 174.73 3a2w s THR 19 N 1.02 1.72 -2.00 -0.82 -4.23 -0.25 -0.48 115.64 110.59 3a2w s THR 19 Ca 0.07 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.72 3a2w s THR 19 Cb -0.13 -2.90 0.41 0.00 1.34 0.00 0.00 72.50 71.21 3a2w s THR 19 CO 0.04 0.00 1.34 -0.90 -0.54 0.00 0.00 174.62 174.56 3a2w n ASP 20 N -0.90 0.00 -0.42 3.99 5.68 -0.60 -1.02 116.55 123.28 3a2w n ASP 20 Ca -0.05 -0.94 0.05 0.00 -0.50 0.00 0.00 54.79 53.35 3a2w n ASP 20 Cb 0.67 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.71 3a2w n ASP 20 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3a2w n HIS 21 N -0.82 0.08 0.00 2.11 8.25 -1.26 -4.99 115.22 118.59 3a2w n HIS 21 Ca 0.11 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3a2w n HIS 21 Cb 0.05 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 0.50 -0.08 3.74 -1.41 0.00 -0.19 -5.02 105.19 102.73 3a2w n GLY 22 Ca 0.06 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.57 4.38 -0.01 1.61 1.01 -1.26 -1.09 120.40 124.46 3a2w s VAL 23 Ca 0.00 1.99 -0.09 0.00 0.00 0.00 0.00 61.98 63.88 3a2w s VAL 23 Cb 0.00 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.11 3a2w s VAL 23 CO 0.00 0.40 0.20 0.27 0.00 0.00 0.00 175.10 175.97 3a2w s ILE 24 N -0.49 0.06 -0.16 2.22 -4.36 -0.51 -4.97 121.20 113.00 3a2w s ILE 24 Ca 0.43 -0.53 -0.16 0.00 -0.26 0.00 0.00 60.65 60.13 3a2w s ILE 24 Cb -0.24 -0.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.96 3a2w s ILE 24 CO 0.29 -0.29 0.38 -0.75 0.24 0.00 0.00 174.94 174.81 3a2w s LYS 25 N -1.15 4.25 -0.02 0.37 2.47 -1.26 -1.16 119.74 123.25 3a2w s LYS 25 Ca -0.12 0.23 0.03 0.00 -1.56 0.00 0.00 55.97 54.55 3a2w s LYS 25 Cb -0.06 -3.47 -0.03 0.00 -1.46 0.00 0.00 37.83 32.81 3a2w s LYS 25 CO 0.02 0.12 -0.07 -0.51 0.16 0.00 0.00 175.35 175.07 3a2w s LEU 26 N 0.80 3.13 0.00 5.43 1.43 0.86 -0.60 118.68 129.73 3a2w s LEU 26 Ca 0.20 -0.12 0.27 0.00 -1.03 0.00 0.00 54.13 53.45 3a2w s LEU 26 Cb -0.14 -1.76 0.78 0.00 0.03 0.00 0.00 46.19 45.11 3a2w s LEU 26 CO 0.07 0.31 1.59 -0.81 0.23 0.00 0.00 176.35 177.74 3a2w n PRO 27 N 1.80 1.44 -0.30 1.29 -0.04 -1.26 -1.22 135.00 136.70 3a2w n PRO 27 Ca -0.16 -0.92 0.13 0.00 -0.04 0.00 0.00 63.50 62.51 3a2w n PRO 27 Cb 0.53 -1.48 0.28 0.00 -0.04 0.00 0.00 33.50 32.79 3a2w n PRO 27 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3a2w h ASP 28 N 2.25 -0.14 -1.02 3.54 5.19 -1.94 -0.98 116.42 123.32 3a2w h ASP 28 Ca 0.00 0.22 0.28 0.00 -0.62 0.00 0.00 57.03 56.90 3a2w h ASP 28 Cb 0.58 0.32 -0.13 0.00 0.18 0.00 0.00 39.33 40.28 3a2w h ASP 28 CO 0.00 -0.21 0.61 -0.74 -3.12 0.00 0.00 179.24 175.78 3a2w h HIS 29 N 0.14 0.93 0.05 4.55 2.76 -1.21 0.22 115.15 122.60 3a2w h HIS 29 Ca 0.55 0.03 -0.34 0.00 -2.20 0.00 0.00 60.37 58.42 3a2w h HIS 29 Cb 1.12 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 29.78 3a2w h HIS 29 CO -0.33 -0.01 -1.94 0.66 -1.30 0.00 0.00 177.93 175.01 3a2w n TYR 30 N -4.89 0.96 -0.17 5.26 4.02 -0.45 -4.14 117.16 117.75 3a2w n TYR 30 Ca 0.28 0.27 -0.08 0.00 -0.01 0.00 0.00 57.90 58.36 3a2w n TYR 30 Cb 0.85 -1.15 0.02 0.00 -0.02 0.00 0.00 39.34 39.04 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 1.18 0.00 -0.72 2.07 -0.46 -0.34 116.25 118.00 3a2w h VAL 31 Ca -0.39 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3a2w h VAL 31 Cb 2.03 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3a2w h VAL 31 CO 0.07 0.19 0.13 0.28 0.02 0.00 0.00 177.57 178.25 3a2w h SER 32 N 0.67 0.00 -0.25 0.57 0.02 -0.77 0.10 113.55 113.89 3a2w h SER 32 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3a2w h SER 32 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3a2w h SER 32 CO -0.03 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.66 3a2w n GLN 33 N -2.61 1.97 -2.67 3.45 6.02 -0.74 -4.95 117.38 117.86 3a2w n GLN 33 Ca -0.02 -1.82 -0.17 0.00 -0.01 0.00 0.00 57.00 54.98 3a2w n GLN 33 Cb 0.17 -1.32 0.02 0.00 1.02 0.00 0.00 30.24 30.13 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 0.83 -0.25 3.53 1.08 0.00 0.35 -5.00 105.19 105.73 3a2w n GLY 34 Ca 0.12 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.22 2.45 0.65 1.61 1.02 -0.21 -4.86 119.74 115.17 3a2w s LYS 35 Ca 0.16 -0.76 -0.10 0.00 0.02 0.00 0.00 55.97 55.29 3a2w s LYS 35 Cb -0.07 -2.41 -0.00 0.00 -0.52 0.00 0.00 37.83 34.83 3a2w s LYS 35 CO 0.20 0.60 1.01 -1.58 -0.92 0.00 0.00 175.35 174.66 3a2w s TRP 36 N -0.90 3.38 -0.09 3.18 0.52 -0.80 -4.07 118.94 120.16 3a2w s TRP 36 Ca 0.15 0.97 -0.17 0.00 0.02 0.00 0.00 56.10 57.07 3a2w s TRP 36 Cb -0.11 -2.87 0.04 0.00 -1.15 0.00 0.00 33.47 29.38 3a2w s TRP 36 CO 0.05 -0.94 0.41 -0.59 0.02 0.00 0.00 176.95 175.90 3a2w s PHE 37 N -3.19 -0.38 -0.21 -1.98 -0.12 -0.52 -1.47 117.98 110.11 3a2w s PHE 37 Ca 0.56 0.81 -0.03 0.00 -0.05 0.00 0.00 56.93 58.21 3a2w s PHE 37 Cb -0.11 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.44 3a2w s PHE 37 CO 0.50 -0.33 -0.05 0.08 -0.05 0.00 0.00 175.22 175.36 3a2w s VAL 38 N -0.53 3.35 -0.18 -2.49 1.01 0.68 -1.72 120.40 120.52 3a2w s VAL 38 Ca -0.06 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3a2w s VAL 38 Cb -0.04 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3a2w s VAL 38 CO 0.03 0.44 0.06 -0.22 0.00 0.00 0.00 175.10 175.40 3a2w s LEU 39 N 1.34 3.78 -0.02 3.92 1.98 -0.23 -1.44 118.68 128.00 3a2w s LEU 39 Ca 0.04 0.07 -0.05 0.00 -2.89 0.00 0.00 54.13 51.30 3a2w s LEU 39 Cb -0.14 -1.95 0.01 0.00 0.66 0.00 0.00 46.19 44.76 3a2w s LEU 39 CO -0.03 0.17 0.12 0.72 -1.89 0.00 0.00 176.35 175.44 3a2w s PHE 40 N 0.38 -0.04 0.33 5.38 -0.12 -0.75 0.11 117.98 123.27 3a2w s PHE 40 Ca 0.03 0.09 0.09 0.00 -0.05 0.00 0.00 56.93 57.08 3a2w s PHE 40 Cb -0.12 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 3a2w s PHE 40 CO 0.00 -0.16 0.05 -1.54 -0.05 0.00 0.00 175.22 173.52 3a2w s SER 41 N -0.59 4.39 0.02 1.98 1.04 -0.06 -1.35 113.70 119.13 3a2w s SER 41 Ca -0.07 -0.87 -0.09 0.00 0.48 0.00 0.00 55.95 55.41 3a2w s SER 41 Cb -0.04 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.44 3a2w s SER 41 CO 0.01 -0.22 0.17 -1.38 0.98 0.00 0.00 173.24 172.80 3a2w s HIS 42 N -2.46 0.05 0.07 5.02 -3.43 -0.43 -3.82 115.29 110.29 3a2w s HIS 42 Ca 0.35 -0.23 -0.19 0.00 -0.80 0.00 0.00 55.06 54.19 3a2w s HIS 42 Cb -0.02 -0.04 -0.07 0.00 -1.43 0.00 0.00 32.58 31.01 3a2w s HIS 42 CO 0.20 -0.38 1.31 -1.35 -2.00 0.00 0.00 174.74 172.53 3a2w h PRO 43 N 3.75 -0.33 -2.94 -0.38 0.11 -1.76 -3.40 132.00 127.06 3a2w h PRO 43 Ca -0.32 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 3a2w h PRO 43 Cb 1.19 0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 3a2w h PRO 43 CO 0.46 -0.22 0.12 0.00 -0.21 0.00 0.00 178.00 178.15 3a2w s ALA 44 N -4.78 -1.44 0.70 -0.75 0.00 -1.26 -4.25 121.76 109.99 3a2w s ALA 44 Ca -0.09 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 3a2w s ALA 44 Cb 0.04 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.85 3a2w s ALA 44 CO 0.35 -0.66 1.10 -0.51 0.00 0.00 0.00 175.76 176.04 3a2w s ASP 45 N -2.46 4.92 -1.18 0.00 1.01 -1.26 -3.66 116.67 114.04 3a2w s ASP 45 Ca -0.01 1.91 -0.07 0.00 0.71 0.00 0.00 52.55 55.09 3a2w s ASP 45 Cb -0.00 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.40 3a2w s ASP 45 CO -0.08 -1.75 0.94 0.49 0.21 0.00 0.00 175.17 174.97 3a2w n PHE 46 N -2.84 -2.35 -4.76 4.23 3.01 -1.26 -5.02 117.46 108.47 3a2w n PHE 46 Ca 0.10 0.81 -0.27 0.00 1.01 0.00 0.00 57.45 59.09 3a2w n PHE 46 Cb 0.52 -4.38 -0.14 0.00 -0.01 0.00 0.00 39.48 35.47 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 -3.25 1.86 0.07 4.37 -4.23 -1.24 -5.09 115.64 108.14 3a2w s THR 47 Ca 0.47 -1.27 -0.37 0.00 -1.18 0.00 0.00 61.69 59.33 3a2w s THR 47 Cb -0.21 -1.61 -0.19 0.00 1.34 0.00 0.00 72.50 71.84 3a2w s THR 47 CO 0.58 0.28 1.57 1.55 -0.54 0.00 0.00 174.62 178.05 3a2w h PRO 48 N 4.85 -1.15 -0.46 3.99 0.13 -1.95 -2.25 132.00 135.16 3a2w h PRO 48 Ca -0.44 0.08 0.06 0.00 -0.87 0.00 0.00 66.00 64.83 3a2w h PRO 48 Cb 1.15 0.26 -0.05 0.00 0.13 0.00 0.00 31.00 32.49 3a2w h PRO 48 CO 0.44 -0.77 0.16 0.28 -0.23 0.00 0.00 178.00 177.88 3a2w h VAL 49 N -1.20 0.85 -0.59 1.56 2.07 -1.99 -1.58 116.25 115.38 3a2w h VAL 49 Ca -0.10 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3a2w h VAL 49 Cb 0.97 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3a2w h VAL 49 CO 0.08 0.06 0.39 0.28 0.02 0.00 0.00 177.57 178.40 3a2w h SER 50 N 0.34 0.52 -0.15 0.57 0.02 -1.91 -1.17 113.55 111.76 3a2w h SER 50 Ca 0.22 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3a2w h SER 50 Cb 0.22 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3a2w h SER 50 CO -0.22 0.34 -0.04 0.74 -1.14 0.00 0.00 176.83 176.52 3a2w h THR 51 N 0.60 1.29 -0.30 -2.27 2.02 -0.68 -1.96 112.91 111.61 3a2w h THR 51 Ca 0.25 -1.00 0.02 0.00 0.77 0.00 0.00 66.41 66.45 3a2w h THR 51 Cb 0.23 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 3a2w h THR 51 CO -0.07 0.29 0.20 0.71 0.37 0.00 0.00 175.52 177.02 3a2w h THR 52 N -0.00 1.04 -0.13 3.16 1.35 -0.61 -1.96 112.91 115.76 3a2w h THR 52 Ca 0.04 -0.12 -0.12 0.00 -0.55 0.00 0.00 66.41 65.66 3a2w h THR 52 Cb 0.47 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3a2w h THR 52 CO 0.02 0.06 -0.39 -0.33 -0.25 0.00 0.00 175.52 174.63 3a2w h GLU 53 N 0.35 0.48 -0.51 4.72 5.08 -1.06 -2.16 114.58 121.48 3a2w h GLU 53 Ca 0.12 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3a2w h GLU 53 Cb 0.05 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3a2w h GLU 53 CO -0.03 0.97 0.22 0.74 -1.00 0.00 0.00 179.01 179.91 3a2w h PHE 54 N 0.08 0.72 -0.50 4.33 -1.00 -1.01 -0.95 116.94 118.62 3a2w h PHE 54 Ca -0.01 -0.03 -0.12 0.00 2.81 0.00 0.00 57.97 60.62 3a2w h PHE 54 Cb 1.01 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 3a2w h PHE 54 CO 0.11 0.55 -0.17 0.28 -1.61 0.00 0.00 178.31 177.48 3a2w h VAL 55 N 0.72 1.27 -0.39 -0.55 2.07 -1.34 -0.92 116.25 117.11 3a2w h VAL 55 Ca 0.18 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 3a2w h VAL 55 Cb 0.12 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3a2w h VAL 55 CO -0.02 0.46 0.12 -1.28 0.02 0.00 0.00 177.57 176.87 3a2w h SER 56 N 0.86 0.57 -0.57 0.57 0.87 -0.71 -1.34 113.55 113.80 3a2w h SER 56 Ca 0.12 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 3a2w h SER 56 Cb 0.74 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 3a2w h SER 56 CO 0.06 0.62 0.14 -0.26 -0.53 0.00 0.00 176.83 176.87 3a2w h PHE 57 N 0.49 0.99 -0.20 2.24 -1.00 -1.14 -2.49 116.94 115.83 3a2w h PHE 57 Ca 0.13 -0.10 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 3a2w h PHE 57 Cb 0.26 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 3a2w h PHE 57 CO 0.01 0.82 -0.27 0.00 -1.61 0.00 0.00 178.31 177.26 3a2w h ALA 58 N 1.24 1.16 0.00 2.45 0.00 -0.88 -1.07 119.26 122.16 3a2w h ALA 58 Ca 0.20 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3a2w h ALA 58 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3a2w h ALA 58 CO 0.00 0.54 -0.54 0.00 0.00 0.00 0.00 179.25 179.25 3a2w h ARG 59 N 0.35 0.00 -0.73 0.00 2.47 -0.98 -2.94 114.38 112.55 3a2w h ARG 59 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3a2w h ARG 59 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 3a2w h ARG 59 CO 0.05 0.54 0.00 0.54 0.56 0.00 0.00 179.97 181.66 3a2w n ARG 60 N -3.66 2.68 0.03 0.04 1.74 -0.96 -4.58 116.66 111.95 3a2w n ARG 60 Ca -0.01 -2.62 -0.11 0.00 -0.77 0.00 0.00 57.85 54.35 3a2w n ARG 60 Cb 0.59 -1.56 -0.04 0.00 -1.02 0.00 0.00 32.46 30.43 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 4.25 -0.72 0.00 -1.55 3.20 -1.01 -0.27 116.97 120.87 3a2w h TYR 61 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3a2w h TYR 61 Cb 0.97 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.57 3a2w h TYR 61 CO 0.48 -0.35 -0.07 1.05 -1.64 0.00 0.00 178.16 177.63 3a2w h GLU 62 N -0.37 0.00 -0.31 1.82 4.11 -1.83 0.91 114.58 118.91 3a2w h GLU 62 Ca 0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.48 3a2w h GLU 62 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3a2w h GLU 62 CO -0.28 0.07 0.06 -0.44 0.07 0.00 0.00 179.01 178.49 3a2w h ASP 63 N 0.00 0.49 -0.18 3.06 3.32 -1.41 0.17 116.42 121.87 3a2w h ASP 63 Ca -0.00 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 3a2w h ASP 63 Cb 0.14 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3a2w h ASP 63 CO 0.01 0.62 -0.08 -0.26 -1.72 0.00 0.00 179.24 177.81 3a2w h PHE 64 N 0.35 0.56 -0.04 4.55 -1.00 -0.15 -2.84 116.94 118.36 3a2w h PHE 64 Ca 0.10 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 3a2w h PHE 64 Cb 0.33 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.74 3a2w h PHE 64 CO 0.02 0.60 0.02 1.96 -1.61 0.00 0.00 178.31 179.30 3a2w h GLN 65 N 0.49 0.05 -0.36 1.51 1.08 -0.33 0.12 115.11 117.67 3a2w h GLN 65 Ca 0.10 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.40 3a2w h GLN 65 Cb 0.44 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3a2w h GLN 65 CO 0.02 0.08 0.32 0.00 -0.95 0.00 0.00 178.83 178.31 3a2w h ARG 66 N 0.01 0.00 -0.24 1.46 3.08 -0.45 0.28 114.38 118.52 3a2w h ARG 66 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3a2w h ARG 66 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3a2w h ARG 66 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 3a2w n LEU 67 N -4.02 2.16 -2.79 3.04 4.77 -0.79 -4.92 117.00 114.46 3a2w n LEU 67 Ca 0.06 -0.92 -0.16 0.00 -0.03 0.00 0.00 56.01 54.96 3a2w n LEU 67 Cb 0.49 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3a2w n LEU 67 CO 0.31 0.46 0.15 0.61 -1.33 0.00 0.00 177.39 177.59 3a2w n GLY 68 N 1.23 -0.15 3.12 -0.72 0.00 0.98 -4.87 105.19 104.77 3a2w n GLY 68 Ca 0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.25 1.54 0.22 1.61 1.01 -0.04 -1.91 120.40 119.59 3a2w s VAL 69 Ca 0.28 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.61 3a2w s VAL 69 Cb -0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3a2w s VAL 69 CO 0.54 0.44 0.14 -0.62 0.00 0.00 0.00 175.10 175.61 3a2w s ASP 70 N 0.44 5.36 0.03 3.32 -1.08 -0.54 -3.71 116.67 120.50 3a2w s ASP 70 Ca -0.15 -0.27 0.07 0.00 -0.52 0.00 0.00 52.55 51.68 3a2w s ASP 70 Cb -0.16 -1.33 -0.03 0.00 -1.46 0.00 0.00 42.92 39.94 3a2w s ASP 70 CO 0.05 0.00 -0.18 -0.76 0.52 0.00 0.00 175.17 174.81 3a2w s LEU 71 N -3.56 2.63 -0.16 -1.34 1.43 -1.26 -0.23 118.68 116.19 3a2w s LEU 71 Ca 0.32 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.94 3a2w s LEU 71 Cb -0.08 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.67 3a2w s LEU 71 CO 0.23 0.26 0.37 -0.51 0.23 0.00 0.00 176.35 176.93 3a2w s ILE 72 N -0.91 -0.21 0.67 -0.59 2.07 -0.52 -4.22 121.20 117.47 3a2w s ILE 72 Ca 0.14 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 3a2w s ILE 72 Cb -0.11 -0.56 0.10 0.00 0.13 0.00 0.00 42.46 42.02 3a2w s ILE 72 CO 0.05 0.06 0.93 -0.83 -1.91 0.00 0.00 174.94 173.24 3a2w s GLY 73 N 1.77 1.77 -0.28 1.50 0.00 0.04 -1.81 107.32 110.32 3a2w s GLY 73 Ca -0.06 -1.62 -0.15 0.00 0.00 0.00 0.00 44.72 42.88 3a2w s GLY 73 CO -0.12 -1.14 0.70 -2.27 0.00 0.00 0.00 173.10 170.28 3a2w s LEU 74 N -5.03 -0.95 0.18 0.66 2.96 -0.46 0.18 118.68 116.22 3a2w s LEU 74 Ca 0.64 1.50 -0.12 0.00 -0.22 0.00 0.00 54.13 55.92 3a2w s LEU 74 Cb -0.07 2.35 0.00 0.00 0.50 0.00 0.00 46.19 48.98 3a2w s LEU 74 CO 0.43 -0.23 0.37 -0.94 -1.32 0.00 0.00 176.35 174.66 3a2w s SER 75 N 1.76 -0.06 0.00 3.68 1.04 -1.02 -1.32 113.70 117.78 3a2w s SER 75 Ca -0.10 -0.76 0.30 0.00 0.48 0.00 0.00 55.95 55.88 3a2w s SER 75 Cb -0.06 0.49 1.57 0.00 0.10 0.00 0.00 66.02 68.13 3a2w s SER 75 CO -0.20 -0.96 2.05 1.33 0.98 0.00 0.00 173.24 176.44 3a2w n VAL 76 N -0.27 0.00 -1.55 5.02 0.24 -1.26 -0.40 118.33 120.11 3a2w n VAL 76 Ca -0.08 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.34 61.86 3a2w n VAL 76 Cb 0.63 -0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.80 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 -2.18 5.19 0.77 -1.34 1.11 -1.26 -2.95 116.67 116.01 3a2w s ASP 77 Ca 0.40 1.58 -0.10 0.00 0.18 0.00 0.00 52.55 54.61 3a2w s ASP 77 Cb 0.21 -2.43 0.07 0.00 1.07 0.00 0.00 42.92 41.85 3a2w s ASP 77 CO 0.40 -1.56 1.12 -0.94 1.18 0.00 0.00 175.17 175.37 3a2w s SER 78 N -3.79 4.62 0.44 0.27 1.04 -1.26 -3.62 113.70 111.40 3a2w s SER 78 Ca 0.59 0.67 0.09 0.00 0.48 0.00 0.00 55.95 57.78 3a2w s SER 78 Cb -0.14 -1.22 0.96 0.00 0.10 0.00 0.00 66.02 65.72 3a2w s SER 78 CO 0.55 -1.80 2.07 -0.37 0.98 0.00 0.00 173.24 174.68 3a2w h VAL 79 N -0.90 1.08 -0.58 5.02 -1.51 -1.94 -2.43 116.25 115.00 3a2w h VAL 79 Ca -0.45 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 3a2w h VAL 79 Cb 1.32 0.67 -0.03 0.00 -2.13 0.00 0.00 31.29 31.12 3a2w h VAL 79 CO 0.64 0.08 0.33 -0.26 -1.23 0.00 0.00 177.57 177.14 3a2w h PHE 80 N 0.40 0.78 -0.16 5.19 -1.00 -1.99 -0.77 116.94 119.39 3a2w h PHE 80 Ca 0.11 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 3a2w h PHE 80 Cb -0.02 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 3a2w h PHE 80 CO 0.00 0.55 -0.01 0.77 -1.61 0.00 0.00 178.31 178.02 3a2w h SER 81 N 0.78 0.29 -0.42 2.17 0.02 -1.87 -1.06 113.55 113.46 3a2w h SER 81 Ca 0.21 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3a2w h SER 81 Cb 0.01 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.39 3a2w h SER 81 CO -0.04 0.53 -0.55 0.45 -1.14 0.00 0.00 176.83 176.09 3a2w h HIS 82 N 0.03 -1.67 -0.53 3.45 3.86 -1.08 0.62 115.15 119.83 3a2w h HIS 82 Ca 0.05 0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 3a2w h HIS 82 Cb 0.39 0.78 -0.04 0.00 1.06 0.00 0.00 27.41 29.61 3a2w h HIS 82 CO 0.04 -0.49 0.31 0.82 0.86 0.00 0.00 177.93 179.47 3a2w h ILE 83 N -0.38 1.04 -0.87 2.45 2.04 -1.08 0.09 117.51 120.80 3a2w h ILE 83 Ca 0.08 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3a2w h ILE 83 Cb 0.59 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3a2w h ILE 83 CO -0.60 0.11 0.44 0.11 0.00 0.00 0.00 178.15 178.21 3a2w h LYS 84 N 0.62 1.24 -0.24 2.37 1.79 -0.12 -1.71 116.57 120.51 3a2w h LYS 84 Ca 0.22 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3a2w h LYS 84 Cb 0.04 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.45 3a2w h LYS 84 CO -0.10 0.93 0.11 2.35 -1.08 0.00 0.00 179.45 181.66 3a2w h TRP 85 N 1.23 0.36 -0.68 -1.35 7.01 0.77 -1.85 115.95 121.44 3a2w h TRP 85 Ca 0.30 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.33 3a2w h TRP 85 Cb 0.09 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 3a2w h TRP 85 CO 0.01 0.36 0.45 0.87 -2.79 0.00 0.00 178.44 177.34 3a2w h LYS 86 N 0.26 0.72 -0.74 2.65 1.57 -0.63 -0.83 116.57 119.56 3a2w h LYS 86 Ca 0.08 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3a2w h LYS 86 Cb 0.14 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3a2w h LYS 86 CO -0.01 0.48 0.29 0.93 -0.57 0.00 0.00 179.45 180.57 3a2w h GLU 87 N 0.74 1.12 -0.61 3.15 5.08 -0.77 -2.27 114.58 121.02 3a2w h GLU 87 Ca 0.28 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3a2w h GLU 87 Cb 0.18 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3a2w h GLU 87 CO -0.09 0.92 0.10 2.35 -1.00 0.00 0.00 179.01 181.29 3a2w h TRP 88 N 1.07 1.07 -0.15 4.33 7.01 -0.38 -1.41 115.95 127.49 3a2w h TRP 88 Ca 0.25 -0.15 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 3a2w h TRP 88 Cb 0.22 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 3a2w h TRP 88 CO 0.02 0.92 0.06 0.82 -2.79 0.00 0.00 178.44 177.46 3a2w h ILE 89 N 0.91 1.17 -0.50 2.65 1.08 -1.12 0.26 117.51 121.95 3a2w h ILE 89 Ca 0.18 -0.51 -0.08 0.00 -0.39 0.00 0.00 64.86 64.07 3a2w h ILE 89 Cb 0.43 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 3a2w h ILE 89 CO 0.01 0.16 0.01 -0.08 -0.69 0.00 0.00 178.15 177.55 3a2w h GLU 90 N 0.08 0.84 0.04 2.37 4.81 -1.14 0.30 114.58 121.88 3a2w h GLU 90 Ca 0.05 -0.23 -0.25 0.00 -0.13 0.00 0.00 59.36 58.80 3a2w h GLU 90 Cb 0.19 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.50 3a2w h GLU 90 CO -0.00 0.84 -1.02 -0.09 -0.73 0.00 0.00 179.01 178.01 3a2w h ARG 91 N 0.78 0.62 0.00 1.92 2.43 -1.08 -2.33 114.38 116.72 3a2w h ARG 91 Ca 0.15 -0.72 -0.34 0.00 -0.81 0.00 0.00 59.98 58.26 3a2w h ARG 91 Cb 0.46 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 3a2w h ARG 91 CO 0.02 1.30 -2.10 0.72 -1.51 0.00 0.00 179.97 178.41 3a2w n HIS 92 N -3.91 0.46 -0.02 2.20 8.25 0.89 -4.45 115.22 118.63 3a2w n HIS 92 Ca -0.12 0.16 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 3a2w n HIS 92 Cb 0.87 -1.08 -0.16 0.00 1.12 0.00 0.00 29.99 30.74 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 -2.92 0.18 -0.99 1.59 2.08 0.97 -4.59 119.36 115.68 3a2w n ILE 93 Ca -0.27 -0.53 0.00 0.00 0.56 0.00 0.00 62.75 62.51 3a2w n ILE 93 Cb 1.10 -0.05 0.00 0.00 -0.75 0.00 0.00 39.64 39.95 3a2w n ILE 93 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3a2w n GLY 94 N 1.36 0.40 3.28 7.39 0.00 -0.77 -4.92 105.19 111.93 3a2w n GLY 94 Ca -0.08 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.00 2.36 -0.16 1.61 1.01 -1.21 -4.95 120.40 117.07 3a2w s VAL 95 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 3a2w s VAL 95 Cb 0.00 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 3a2w s VAL 95 CO 0.00 0.55 0.26 -0.60 0.00 0.00 0.00 175.10 175.32 3a2w s ARG 96 N 0.23 4.19 -0.43 2.72 3.52 -1.26 -2.58 118.95 125.34 3a2w s ARG 96 Ca -0.14 0.04 -0.22 0.00 -0.13 0.00 0.00 55.73 55.29 3a2w s ARG 96 Cb -0.17 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3a2w s ARG 96 CO 0.07 0.29 0.73 0.42 -0.81 0.00 0.00 175.30 176.00 3a2w s ILE 97 N 0.32 4.73 -0.90 4.11 -1.09 -1.26 -4.92 121.20 122.19 3a2w s ILE 97 Ca 0.15 0.36 0.26 0.00 -2.23 0.00 0.00 60.65 59.19 3a2w s ILE 97 Cb -0.13 -4.26 0.09 0.00 -1.58 0.00 0.00 42.46 36.59 3a2w s ILE 97 CO 0.03 -0.63 1.55 -0.81 -1.23 0.00 0.00 174.94 173.85 3a2w n PRO 98 N 6.50 0.08 -3.88 2.79 -0.04 -1.26 -4.94 135.00 134.25 3a2w n PRO 98 Ca 0.01 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 3a2w n PRO 98 Cb 0.48 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 3a2w n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a2w s PHE 99 N -3.04 3.30 0.48 0.54 -0.12 -1.26 -5.10 117.98 112.77 3a2w s PHE 99 Ca 0.11 -0.09 -0.20 0.00 -0.05 0.00 0.00 56.93 56.70 3a2w s PHE 99 Cb 0.17 -1.64 -0.09 0.00 -0.63 0.00 0.00 43.02 40.83 3a2w s PHE 99 CO 0.65 0.35 1.01 -1.25 -0.05 0.00 0.00 175.22 175.93 3a2w s PRO 100 N -4.00 3.92 -0.07 1.99 0.04 -1.26 -4.92 135.00 130.70 3a2w s PRO 100 Ca 0.36 1.25 0.05 0.00 0.04 0.00 0.00 61.00 62.71 3a2w s PRO 100 Cb -0.09 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 3a2w s PRO 100 CO 0.29 -0.32 -0.23 0.42 0.04 0.00 0.00 177.00 177.20 3a2w s ILE 101 N -2.11 1.96 0.20 0.56 1.09 -1.26 -0.78 121.20 120.85 3a2w s ILE 101 Ca 0.65 -0.99 -0.27 0.00 -1.10 0.00 0.00 60.65 58.94 3a2w s ILE 101 Cb -0.14 -1.67 -0.08 0.00 -1.06 0.00 0.00 42.46 39.51 3a2w s ILE 101 CO 0.19 0.54 0.85 -0.63 -0.10 0.00 0.00 174.94 175.80 3a2w s ILE 102 N 0.09 4.24 -0.39 2.92 1.01 0.13 -1.55 121.20 127.65 3a2w s ILE 102 Ca -0.10 1.88 -0.09 0.00 0.00 0.00 0.00 60.65 62.34 3a2w s ILE 102 Cb -0.15 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.15 3a2w s ILE 102 CO 0.06 0.51 0.22 0.00 0.00 0.00 0.00 174.94 175.72 3a2w s ALA 103 N -1.13 3.24 -0.66 9.38 0.00 0.37 -2.43 121.76 130.53 3a2w s ALA 103 Ca 0.38 -1.95 0.03 0.00 0.00 0.00 0.00 51.96 50.43 3a2w s ALA 103 Cb -0.24 -2.57 0.36 0.00 0.00 0.00 0.00 23.12 20.67 3a2w s ALA 103 CO 0.29 -1.52 1.31 -3.47 0.00 0.00 0.00 175.76 172.37 3a2w n ASP 104 N 4.92 5.51 -4.69 0.00 2.03 0.46 -4.59 116.55 120.19 3a2w n ASP 104 Ca -0.11 -3.72 -0.33 0.00 0.52 0.00 0.00 54.79 51.15 3a2w n ASP 104 Cb 0.44 -0.71 0.14 0.00 -0.72 0.00 0.00 41.12 40.26 3a2w n ASP 104 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3a2w s PRO 105 N -3.74 1.49 0.00 -0.67 0.02 -1.15 -0.72 135.00 130.23 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 0.32 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 33.07 3a2w s PRO 105 CO -0.19 -2.31 0.00 1.04 -0.33 0.00 0.00 177.00 175.21 3a2w n GLN 106 N -3.54 0.00 -3.25 5.54 1.13 -1.26 -4.08 117.38 111.92 3a2w n GLN 106 Ca 0.13 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.97 3a2w n GLN 106 Cb 0.51 -2.67 -0.01 0.00 0.11 0.00 0.00 30.24 28.19 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 -0.49 0.09 1.08 0.00 0.10 -4.87 105.19 99.11 3a2w n GLY 107 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.83 1.11 -0.38 2.61 2.02 -1.75 -1.56 112.91 114.13 3a2w h THR 108 Ca -0.40 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.33 3a2w h THR 108 Cb 1.27 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3a2w h THR 108 CO 0.50 0.10 -0.24 0.58 0.37 0.00 0.00 175.52 176.83 3a2w h VAL 109 N 0.10 1.28 -0.71 3.16 2.07 -1.89 -2.89 116.25 117.38 3a2w h VAL 109 Ca 0.05 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.24 3a2w h VAL 109 Cb 0.11 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3a2w h VAL 109 CO -0.01 0.46 0.41 0.00 0.02 0.00 0.00 177.57 178.45 3a2w h ALA 110 N 0.79 0.96 -0.34 1.67 0.00 -1.87 -1.93 119.26 118.53 3a2w h ALA 110 Ca 0.08 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3a2w h ALA 110 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3a2w h ALA 110 CO 0.07 0.10 -0.17 0.00 0.00 0.00 0.00 179.25 179.24 3a2w h ARG 111 N 0.74 0.72 0.00 0.00 3.08 -1.29 0.40 114.38 118.03 3a2w h ARG 111 Ca 0.32 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3a2w h ARG 111 Cb 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3a2w h ARG 111 CO -0.18 0.92 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.55 3a2w h ARG 112 N 0.50 0.00 -0.13 0.04 9.65 -1.24 -1.81 114.38 121.39 3a2w h ARG 112 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3a2w h ARG 112 Cb 0.71 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 3a2w h ARG 112 CO 0.05 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.10 3a2w n LEU 113 N -3.58 2.47 -1.96 3.80 4.77 -0.76 -4.49 117.00 117.26 3a2w n LEU 113 Ca -0.03 -1.25 -0.16 0.00 -0.03 0.00 0.00 56.01 54.54 3a2w n LEU 113 Cb 0.08 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3a2w n LEU 113 CO 0.25 0.50 -0.12 0.61 -1.33 0.00 0.00 177.39 177.31 3a2w n GLY 114 N 0.83 -0.24 0.08 -0.72 0.00 -0.27 -4.52 105.19 100.35 3a2w n GLY 114 Ca 0.10 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.53 0.66 -4.54 0.99 4.77 -0.03 -4.71 117.00 111.61 3a2w n LEU 115 Ca -0.14 0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.88 3a2w n LEU 115 Cb 0.62 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3a2w n LEU 115 CO 0.27 -0.11 0.31 -0.76 -1.33 0.00 0.00 177.39 175.76 3a2w s LEU 116 N -4.18 4.44 0.00 2.23 1.43 -1.26 -1.22 118.68 120.12 3a2w s LEU 116 Ca 0.10 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 3a2w s LEU 116 Cb 0.14 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.73 3a2w s LEU 116 CO 0.62 -0.63 0.32 1.41 0.23 0.00 0.00 176.35 178.29 3a2w n HIS 117 N 6.00 -0.13 0.32 0.29 8.25 -1.26 -4.93 115.22 123.76 3a2w n HIS 117 Ca -0.03 -2.42 0.20 0.00 -0.26 0.00 0.00 57.72 55.21 3a2w n HIS 117 Cb 0.48 -0.43 1.07 0.00 1.12 0.00 0.00 29.99 32.24 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 0.82 1.22 -0.41 -1.41 0.00 -1.97 -2.52 119.26 114.98 3a2w h ALA 118 Ca -0.37 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3a2w h ALA 118 Cb 1.30 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3a2w h ALA 118 CO 0.60 -0.09 0.22 0.93 0.00 0.00 0.00 179.25 180.90 3a2w h GLU 119 N 0.00 0.43 -3.09 0.00 5.08 -1.95 -3.43 114.58 111.62 3a2w h GLU 119 Ca 0.01 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 3a2w h GLU 119 Cb 0.18 -0.10 -0.29 0.00 0.50 0.00 0.00 28.75 29.04 3a2w h GLU 119 CO -0.00 0.28 -0.48 0.45 -1.00 0.00 0.00 179.01 178.26 3a2w s SER 120 N -5.47 -0.25 0.10 1.42 0.15 -0.95 -5.01 113.70 103.69 3a2w s SER 120 Ca -0.13 0.49 0.26 0.00 0.70 0.00 0.00 55.95 57.27 3a2w s SER 120 Cb 0.12 0.41 0.65 0.00 -1.71 0.00 0.00 66.02 65.49 3a2w s SER 120 CO 0.72 -0.14 1.56 0.00 1.20 0.00 0.00 173.24 176.59 3a2w n ALA 121 N 3.82 2.77 -0.08 5.45 0.00 -1.26 -4.03 120.51 127.17 3a2w n ALA 121 Ca -0.21 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 3a2w n ALA 121 Cb 0.55 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 3a2w n ALA 121 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3a2w n THR 122 N -1.93 1.04 -4.42 0.00 5.66 -1.26 -5.03 114.28 108.34 3a2w n THR 122 Ca 0.05 -0.51 -0.30 0.00 -3.05 0.00 0.00 64.05 60.24 3a2w n THR 122 Cb 0.40 -0.90 -0.11 0.00 -1.55 0.00 0.00 70.33 68.17 3a2w n THR 122 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3a2w s HIS 123 N -2.37 2.66 0.61 1.09 4.02 -1.26 -4.93 115.29 115.11 3a2w s HIS 123 Ca -0.17 -0.20 -0.13 0.00 1.02 0.00 0.00 55.06 55.58 3a2w s HIS 123 Cb 0.05 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.58 30.13 3a2w s HIS 123 CO 0.51 0.35 1.04 0.95 1.02 0.00 0.00 174.74 178.61 3a2w s THR 124 N -1.07 4.19 0.24 1.30 -4.23 -1.26 -4.56 115.64 110.25 3a2w s THR 124 Ca 0.18 0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 61.53 3a2w s THR 124 Cb -0.11 -3.55 0.05 0.00 1.34 0.00 0.00 72.50 70.24 3a2w s THR 124 CO 0.09 -0.77 0.32 0.55 -0.54 0.00 0.00 174.62 174.27 3a2w n VAL 125 N -2.41 0.00 -3.13 2.29 3.14 -0.36 -3.22 118.33 114.65 3a2w n VAL 125 Ca 0.07 -0.24 -0.44 0.00 -2.96 0.00 0.00 64.34 60.77 3a2w n VAL 125 Cb 0.53 -1.87 0.00 0.00 -1.06 0.00 0.00 33.84 31.45 3a2w n VAL 125 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3a2w n ARG 126 N -1.68 3.65 -2.76 1.45 1.74 -0.05 -4.02 116.66 115.00 3a2w n ARG 126 Ca 0.04 -4.27 -0.28 0.00 -0.77 0.00 0.00 57.85 52.58 3a2w n ARG 126 Cb 0.14 -2.69 -0.01 0.00 -1.02 0.00 0.00 32.46 28.89 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 1.18 1.57 -0.13 -0.13 0.00 -1.25 -1.33 107.32 107.23 3a2w s GLY 127 Ca 0.34 -0.49 -0.06 0.00 0.00 0.00 0.00 44.72 44.52 3a2w s GLY 127 CO -0.03 -0.34 0.28 0.54 0.00 0.00 0.00 173.10 173.56 3a2w s VAL 128 N -2.62 -0.26 -0.15 1.40 0.11 -0.23 -0.88 120.40 117.77 3a2w s VAL 128 Ca 0.47 0.20 -0.00 0.00 -2.93 0.00 0.00 61.98 59.72 3a2w s VAL 128 Cb -0.10 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 3a2w s VAL 128 CO 0.41 0.09 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.78 3a2w s PHE 129 N 1.91 2.82 -0.25 1.54 0.40 0.30 -1.65 117.98 123.04 3a2w s PHE 129 Ca -0.04 -0.86 -0.09 0.00 -0.60 0.00 0.00 56.93 55.34 3a2w s PHE 129 Cb -0.11 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 3a2w s PHE 129 CO -0.09 -0.37 0.12 0.42 0.70 0.00 0.00 175.22 175.99 3a2w s ILE 130 N 0.71 4.81 -0.13 0.64 1.01 -0.57 -1.07 121.20 126.59 3a2w s ILE 130 Ca -0.06 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3a2w s ILE 130 Cb -0.15 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.08 3a2w s ILE 130 CO 0.02 0.32 -0.16 -0.69 0.00 0.00 0.00 174.94 174.42 3a2w s VAL 131 N 1.49 1.64 0.98 2.92 1.01 -0.70 0.26 120.40 128.01 3a2w s VAL 131 Ca 0.06 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3a2w s VAL 131 Cb -0.15 -1.51 0.18 0.00 0.00 0.00 0.00 36.38 34.90 3a2w s VAL 131 CO 0.06 0.47 1.15 1.51 0.00 0.00 0.00 175.10 178.29 3a2w s ASP 132 N 1.16 2.89 0.00 3.32 1.47 -0.49 -1.44 116.67 123.58 3a2w s ASP 132 Ca -0.02 0.86 0.02 0.00 1.18 0.00 0.00 52.55 54.59 3a2w s ASP 132 Cb -0.14 -1.33 0.11 0.00 -0.34 0.00 0.00 42.92 41.22 3a2w s ASP 132 CO -0.06 -2.93 0.49 0.00 0.68 0.00 0.00 175.17 173.35 3a2w n ALA 133 N -4.00 1.59 0.90 2.11 0.00 -1.26 -0.52 120.51 119.33 3a2w n ALA 133 Ca 0.08 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.61 3a2w n ALA 133 Cb 0.59 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 3a2w n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a2w n ARG 134 N -0.86 1.04 -0.70 0.00 1.74 -1.26 -4.66 116.66 111.96 3a2w n ARG 134 Ca 0.01 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 3a2w n ARG 134 Cb 0.01 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3a2w n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a2w n GLY 135 N 1.39 0.60 3.75 -0.13 0.00 0.32 -4.94 105.19 106.17 3a2w n GLY 135 Ca 0.06 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 5.39 -0.01 1.61 1.01 -1.25 0.21 120.40 125.35 3a2w s VAL 136 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3a2w s VAL 136 Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 3a2w s VAL 136 CO 0.00 0.45 1.54 -0.63 0.00 0.00 0.00 175.10 176.46 3a2w s ILE 137 N 0.21 3.55 -0.09 2.22 1.01 -0.07 -1.39 121.20 126.64 3a2w s ILE 137 Ca 0.11 0.85 0.15 0.00 0.00 0.00 0.00 60.65 61.76 3a2w s ILE 137 Cb -0.12 -3.55 -0.22 0.00 0.01 0.00 0.00 42.46 38.58 3a2w s ILE 137 CO 0.00 -0.03 0.20 0.54 0.00 0.00 0.00 174.94 175.66 3a2w n ARG 138 N 6.12 1.01 -3.56 2.79 5.12 0.14 -1.27 116.66 127.00 3a2w n ARG 138 Ca 0.15 -0.08 -0.15 0.00 -1.93 0.00 0.00 57.85 55.84 3a2w n ARG 138 Cb 0.43 -1.39 -0.06 0.00 -1.16 0.00 0.00 32.46 30.28 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 -2.75 0.00 -0.04 0.55 2.01 -1.20 -4.92 115.64 109.30 3a2w s THR 139 Ca -0.07 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3a2w s THR 139 Cb 0.07 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.60 3a2w s THR 139 CO 0.65 0.00 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.47 3a2w s MET 140 N -0.71 1.00 -0.04 4.92 -1.94 -1.26 -1.52 119.30 119.76 3a2w s MET 140 Ca -0.06 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.74 3a2w s MET 140 Cb -0.02 -0.93 0.00 0.00 2.01 0.00 0.00 34.83 35.89 3a2w s MET 140 CO 0.05 0.00 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.42 3a2w s LEU 141 N 0.61 1.83 -0.33 -0.03 1.43 -0.66 -4.99 118.68 116.54 3a2w s LEU 141 Ca -0.09 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3a2w s LEU 141 Cb -0.13 -0.80 0.10 0.00 0.03 0.00 0.00 46.19 45.39 3a2w s LEU 141 CO 0.01 0.11 0.07 -0.31 0.23 0.00 0.00 176.35 176.46 3a2w s TYR 142 N 0.17 2.98 0.18 0.29 1.51 -1.26 -1.07 117.35 120.14 3a2w s TYR 142 Ca -0.05 -2.54 -0.01 0.00 -1.01 0.00 0.00 57.07 53.47 3a2w s TYR 142 Cb -0.11 -2.47 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 3a2w s TYR 142 CO 0.02 -0.92 0.36 0.71 -1.11 0.00 0.00 175.55 174.61 3a2w s TYR 143 N 1.14 3.49 0.78 2.71 1.51 -0.44 -4.95 117.35 121.57 3a2w s TYR 143 Ca 0.11 0.35 -0.10 0.00 -1.01 0.00 0.00 57.07 56.41 3a2w s TYR 143 Cb -0.19 -1.85 0.07 0.00 -0.11 0.00 0.00 41.96 39.89 3a2w s TYR 143 CO -0.14 0.42 1.13 -1.25 -1.11 0.00 0.00 175.55 174.60 3a2w s PRO 144 N -3.14 2.05 0.23 -1.71 0.04 -1.26 -0.87 135.00 130.33 3a2w s PRO 144 Ca 0.38 0.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.36 3a2w s PRO 144 Cb -0.11 -2.01 0.21 0.00 0.04 0.00 0.00 34.50 32.62 3a2w s PRO 144 CO 0.28 -1.49 1.90 0.52 0.04 0.00 0.00 177.00 178.26 3a2w h MET 145 N -0.92 1.17 0.00 4.56 2.86 -1.95 -2.85 114.93 117.80 3a2w h MET 145 Ca -0.46 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 3a2w h MET 145 Cb 1.32 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3a2w h MET 145 CO 0.64 0.78 0.00 -0.85 1.06 0.00 0.00 176.91 178.54 3a2w n GLU 146 N -4.46 0.00 -4.15 1.72 0.00 -1.26 -4.77 120.64 107.73 3a2w n GLU 146 Ca 0.10 0.06 -0.30 0.00 0.00 0.00 0.00 57.16 57.01 3a2w n GLU 146 Cb 0.02 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 29.79 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 -3.01 1.76 0.50 -1.84 0.20 -1.08 -5.10 118.68 110.12 3a2w s LEU 147 Ca 0.12 -0.50 -0.19 0.00 0.69 0.00 0.00 54.13 54.25 3a2w s LEU 147 Cb 0.17 -1.21 -0.08 0.00 -0.43 0.00 0.00 46.19 44.63 3a2w s LEU 147 CO 0.47 -0.03 1.01 -0.83 -0.29 0.00 0.00 176.35 176.68 3a2w s GLY 148 N 1.34 2.32 0.82 7.98 0.00 -1.26 -4.39 107.32 114.13 3a2w s GLY 148 Ca 0.02 0.44 -0.12 0.00 0.00 0.00 0.00 44.72 45.06 3a2w s GLY 148 CO -0.09 0.74 1.13 0.50 0.00 0.00 0.00 173.10 175.38 3a2w s ARG 149 N -3.55 1.92 -0.71 2.90 0.52 -1.26 -5.02 118.95 113.76 3a2w s ARG 149 Ca 0.64 0.38 -0.05 0.00 -0.52 0.00 0.00 55.73 56.17 3a2w s ARG 149 Cb -0.13 -1.92 0.18 0.00 0.52 0.00 0.00 34.95 33.60 3a2w s ARG 149 CO 0.24 -1.68 0.56 -1.17 0.02 0.00 0.00 175.30 173.27 3a2w s LEU 150 N -5.73 5.59 0.39 2.53 2.96 -1.26 -4.97 118.68 118.19 3a2w s LEU 150 Ca 0.61 -2.95 0.17 0.00 -0.22 0.00 0.00 54.13 51.74 3a2w s LEU 150 Cb -0.13 -1.94 1.06 0.00 0.50 0.00 0.00 46.19 45.69 3a2w s LEU 150 CO 0.52 -0.38 1.78 0.58 -1.32 0.00 0.00 176.35 177.53 3a2w h VAL 151 N 5.00 0.56 0.00 1.68 2.07 -1.96 -1.12 116.25 122.48 3a2w h VAL 151 Ca 0.03 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3a2w h VAL 151 Cb 0.95 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3a2w h VAL 151 CO 0.74 0.08 -0.03 0.44 0.02 0.00 0.00 177.57 178.81 3a2w h ASP 152 N 0.43 0.00 0.76 0.57 3.32 -1.93 -1.07 116.42 118.51 3a2w h ASP 152 Ca 0.57 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.46 3a2w h ASP 152 Cb 1.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.92 3a2w h ASP 152 CO -0.29 0.03 -0.76 -0.08 -1.72 0.00 0.00 179.24 176.42 3a2w h GLU 153 N 0.00 0.00 -0.23 3.56 4.57 -1.56 -1.56 114.58 119.36 3a2w h GLU 153 Ca -0.00 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 3a2w h GLU 153 Cb 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 3a2w h GLU 153 CO 0.00 0.76 -0.23 0.82 -1.18 0.00 0.00 179.01 179.19 3a2w h ILE 154 N 0.00 1.25 -0.13 2.32 5.03 -1.25 -0.63 117.51 124.10 3a2w h ILE 154 Ca -0.01 -1.19 -0.03 0.00 -0.12 0.00 0.00 64.86 63.51 3a2w h ILE 154 Cb 1.35 1.34 -0.00 0.00 -3.03 0.00 0.00 36.82 36.47 3a2w h ILE 154 CO 0.10 0.38 -0.05 -0.07 -0.68 0.00 0.00 178.15 177.83 3a2w h LEU 155 N 0.38 0.27 -0.93 1.44 3.38 -1.12 -2.59 115.31 116.13 3a2w h LEU 155 Ca 0.06 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3a2w h LEU 155 Cb 0.62 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3a2w h LEU 155 CO 0.04 0.60 0.61 -0.09 0.09 0.00 0.00 178.44 179.69 3a2w h ARG 156 N -0.06 1.18 0.56 1.13 2.43 -1.02 -0.63 114.38 117.96 3a2w h ARG 156 Ca 0.03 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3a2w h ARG 156 Cb 0.49 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3a2w h ARG 156 CO 0.02 0.78 -0.43 0.82 -1.51 0.00 0.00 179.97 179.65 3a2w h ILE 157 N 1.21 0.14 -0.55 1.20 1.08 -1.01 0.28 117.51 119.86 3a2w h ILE 157 Ca 0.36 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.88 3a2w h ILE 157 Cb -0.06 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 33.78 3a2w h ILE 157 CO -0.10 0.00 0.27 0.58 -0.69 0.00 0.00 178.15 178.21 3a2w h VAL 158 N -0.96 0.93 0.35 1.67 2.07 -1.22 0.12 116.25 119.21 3a2w h VAL 158 Ca -0.06 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3a2w h VAL 158 Cb 0.81 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3a2w h VAL 158 CO 0.01 0.10 -0.27 0.50 0.02 0.00 0.00 177.57 177.93 3a2w h LYS 159 N 0.52 -0.59 -0.99 1.57 1.63 -0.92 -1.26 116.57 116.54 3a2w h LYS 159 Ca 0.25 0.04 0.03 0.00 -0.85 0.00 0.00 60.65 60.12 3a2w h LYS 159 Cb 0.18 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.88 3a2w h LYS 159 CO -0.18 -0.39 0.65 0.00 -3.45 0.00 0.00 179.45 176.08 3a2w h ALA 160 N -0.03 1.34 -0.59 5.00 0.00 -0.08 -1.71 119.26 123.18 3a2w h ALA 160 Ca -0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3a2w h ALA 160 Cb 0.53 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3a2w h ALA 160 CO -0.00 0.58 0.07 -0.07 0.00 0.00 0.00 179.25 179.83 3a2w h LEU 161 N 1.28 0.96 -1.04 0.00 3.38 -0.58 -0.53 115.31 118.78 3a2w h LEU 161 Ca 0.38 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3a2w h LEU 161 Cb -0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3a2w h LEU 161 CO -0.11 1.00 0.03 0.11 0.09 0.00 0.00 178.44 179.56 3a2w h LYS 162 N 0.90 0.71 0.07 1.13 1.57 -0.69 -1.39 116.57 118.87 3a2w h LYS 162 Ca 0.18 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3a2w h LYS 162 Cb 0.46 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3a2w h LYS 162 CO 0.02 0.71 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.50 3a2w h LEU 163 N 0.68 -0.08 -0.79 2.94 3.38 -1.06 -1.69 115.31 118.68 3a2w h LEU 163 Ca 0.14 -0.42 0.15 0.00 0.09 0.00 0.00 57.88 57.84 3a2w h LEU 163 Cb 0.37 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 3a2w h LEU 163 CO 0.01 0.40 0.33 1.23 0.09 0.00 0.00 178.44 180.50 3a2w h GLY 164 N -0.59 1.23 0.96 0.83 0.00 -0.99 0.08 103.07 104.61 3a2w h GLY 164 Ca -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3a2w h GLY 164 CO 0.02 -0.11 -0.47 -0.55 0.00 0.00 0.00 176.54 175.42 3a2w h ASP 165 N 0.47 -1.12 0.40 0.19 3.32 -1.16 0.16 116.42 118.68 3a2w h ASP 165 Ca 0.44 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.50 3a2w h ASP 165 Cb 0.69 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3a2w h ASP 165 CO -0.42 -0.79 -0.17 0.77 -1.72 0.00 0.00 179.24 176.91 3a2w h SER 166 N -1.30 0.00 -0.06 6.45 4.64 -0.99 -2.89 113.55 119.40 3a2w h SER 166 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3a2w h SER 166 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3a2w h SER 166 CO 0.21 0.17 0.00 0.18 -0.87 0.00 0.00 176.83 176.52 3a2w n LEU 167 N -3.75 2.73 -3.58 5.97 4.32 -0.01 -4.99 117.00 117.68 3a2w n LEU 167 Ca -0.02 -1.06 -0.24 0.00 -0.02 0.00 0.00 56.01 54.67 3a2w n LEU 167 Cb 0.28 -0.02 0.05 0.00 -1.62 0.00 0.00 43.42 42.10 3a2w n LEU 167 CO 0.32 0.48 -0.05 0.29 -1.22 0.00 0.00 177.39 177.22 3a2w n LYS 168 N 1.14 -2.54 -4.05 3.23 5.02 0.39 -5.00 118.16 116.35 3a2w n LYS 168 Ca 0.12 0.61 -0.08 0.00 -2.02 0.00 0.00 58.31 56.94 3a2w n LYS 168 Cb 0.51 -4.86 -0.10 0.00 -0.02 0.00 0.00 35.03 30.56 3a2w n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a2w s ARG 169 N -5.59 0.52 0.07 1.97 1.81 -0.15 -4.63 118.95 112.96 3a2w s ARG 169 Ca 0.33 -1.02 -0.03 0.00 -1.72 0.00 0.00 55.73 53.30 3a2w s ARG 169 Cb -0.09 0.18 -0.05 0.00 -0.45 0.00 0.00 34.95 34.54 3a2w s ARG 169 CO 0.82 -0.09 0.27 0.00 -0.68 0.00 0.00 175.30 175.61 3a2w s ALA 170 N -3.13 3.91 -0.24 2.13 0.00 0.86 -4.29 121.76 121.00 3a2w s ALA 170 Ca -0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 3a2w s ALA 170 Cb 0.02 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 3a2w s ALA 170 CO -0.07 0.75 0.13 0.08 0.00 0.00 0.00 175.76 176.65 3a2w s VAL 171 N -1.50 5.08 0.84 0.00 1.01 -1.26 -0.68 120.40 123.89 3a2w s VAL 171 Ca 0.35 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 3a2w s VAL 171 Cb -0.13 -3.37 0.10 0.00 0.00 0.00 0.00 36.38 32.98 3a2w s VAL 171 CO 0.24 0.35 1.09 -2.16 0.00 0.00 0.00 175.10 174.62 3a2w s PRO 172 N 1.14 1.68 0.34 2.72 0.04 -1.26 -4.96 135.00 134.71 3a2w s PRO 172 Ca 0.06 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 3a2w s PRO 172 Cb -0.14 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 3a2w s PRO 172 CO 0.05 -1.98 1.51 0.00 0.04 0.00 0.00 177.00 176.62 3a2w n ALA 173 N -3.73 2.33 -1.46 8.56 0.00 -1.26 -2.34 120.51 122.62 3a2w n ALA 173 Ca 0.08 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.72 3a2w n ALA 173 Cb 0.54 -2.42 -0.07 0.00 0.00 0.00 0.00 19.45 17.51 3a2w n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a2w n ASP 174 N 1.13 -4.97 -4.76 0.00 8.00 -1.26 -4.07 116.55 110.62 3a2w n ASP 174 Ca 0.04 0.39 -0.39 0.00 0.71 0.00 0.00 54.79 55.54 3a2w n ASP 174 Cb 0.38 -3.86 0.03 0.00 -0.02 0.00 0.00 41.12 37.64 3a2w n ASP 174 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3a2w s TRP 175 N -2.56 2.40 -0.73 1.24 -0.00 -0.99 -0.27 118.94 118.04 3a2w s TRP 175 Ca 0.00 1.32 0.04 0.00 -0.00 0.00 0.00 56.10 57.46 3a2w s TRP 175 Cb 0.00 -3.84 0.23 0.00 -0.00 0.00 0.00 33.47 29.86 3a2w s TRP 175 CO 0.00 -2.86 0.89 -0.35 -0.00 0.00 0.00 176.95 174.63 3a2w n PRO 176 N -0.57 2.06 -2.13 5.86 -0.04 -1.26 -4.92 135.00 134.00 3a2w n PRO 176 Ca 0.07 -0.89 -0.28 0.00 -0.04 0.00 0.00 63.50 62.36 3a2w n PRO 176 Cb 0.43 -1.69 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 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 5.46 -4.76 3.54 3.02 0.63 -2.84 115.26 120.48 3a2w n ASN 177 Ca 0.09 -3.75 -0.41 0.00 -0.03 0.00 0.00 54.58 50.47 3a2w n ASN 177 Cb 0.55 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -3.07 6.87 0.18 6.41 3.84 -0.40 -4.87 114.94 123.89 3a2w s ASN 178 Ca 0.51 2.55 0.22 0.00 0.21 0.00 0.00 52.86 56.35 3a2w s ASN 178 Cb 0.42 -2.63 0.89 0.00 -0.55 0.00 0.00 41.25 39.37 3a2w s ASN 178 CO -0.12 -0.49 1.67 -0.62 -2.79 0.00 0.00 177.10 174.74 3a2w n GLU 179 N 1.51 0.15 -0.13 0.43 1.02 -1.26 -0.58 120.64 121.77 3a2w n GLU 179 Ca 0.02 0.34 -0.27 0.00 -0.02 0.00 0.00 57.16 57.24 3a2w n GLU 179 Cb 0.42 -1.76 -0.09 0.00 -0.02 0.00 0.00 31.44 30.00 3a2w n GLU 179 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3a2w n ILE 180 N -2.03 1.45 -0.87 -3.67 5.41 -1.26 -4.75 119.36 113.65 3a2w n ILE 180 Ca 0.03 -0.32 0.08 0.00 1.00 0.00 0.00 62.75 63.54 3a2w n ILE 180 Cb 0.24 -1.90 0.11 0.00 -0.71 0.00 0.00 39.64 37.38 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 -4.21 1.71 0.00 1.39 -5.35 -1.25 -5.08 119.36 106.57 3a2w n ILE 181 Ca -0.49 -2.01 0.00 0.00 -0.27 0.00 0.00 62.75 59.98 3a2w n ILE 181 Cb 0.83 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 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 -1.25 3.05 0.99 3.28 0.00 0.25 -0.10 105.19 111.42 3a2w n GLY 182 Ca 0.13 0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.51 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 9.43 2.32 -1.31 1.61 0.28 -1.13 -1.27 120.64 130.57 3a2w n GLU 183 Ca 0.00 -1.87 -0.33 0.00 -0.16 0.00 0.00 57.16 54.80 3a2w n GLU 183 Cb 0.00 -1.46 0.10 0.00 1.43 0.00 0.00 31.44 31.51 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 -0.96 2.01 0.05 -1.84 0.00 0.86 -4.87 107.32 102.57 3a2w s GLY 184 Ca 0.35 0.61 0.09 0.00 0.00 0.00 0.00 44.72 45.76 3a2w s GLY 184 CO 0.22 0.99 -0.26 1.08 0.00 0.00 0.00 173.10 175.13 3a2w s LEU 185 N -5.57 2.20 0.03 0.66 1.43 0.11 -4.59 118.68 112.94 3a2w s LEU 185 Ca 0.68 -0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 52.94 3a2w s LEU 185 Cb -0.23 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 3a2w s LEU 185 CO 0.49 0.26 0.79 -0.63 0.23 0.00 0.00 176.35 177.49 3a2w s ILE 186 N -0.82 4.77 0.02 -0.59 -1.09 0.15 -1.68 121.20 121.96 3a2w s ILE 186 Ca 0.12 1.67 -0.25 0.00 -2.23 0.00 0.00 60.65 59.96 3a2w s ILE 186 Cb -0.10 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.60 3a2w s ILE 186 CO 0.02 0.32 0.79 -0.69 -1.23 0.00 0.00 174.94 174.15 3a2w s VAL 187 N 0.18 4.81 0.13 2.92 1.01 -0.37 -0.10 120.40 128.98 3a2w s VAL 187 Ca 0.40 1.66 -0.35 0.00 0.00 0.00 0.00 61.98 63.69 3a2w s VAL 187 Cb -0.20 -4.13 -0.16 0.00 0.00 0.00 0.00 36.38 31.89 3a2w s VAL 187 CO 0.23 0.31 1.38 -2.65 0.00 0.00 0.00 175.10 174.37 3a2w n PRO 188 N 3.17 1.49 -2.11 2.72 -0.02 -1.26 -4.59 135.00 134.41 3a2w n PRO 188 Ca -0.01 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.63 3a2w n PRO 188 Cb 0.51 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3a2w n PRO 188 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3a2w s PRO 189 N 0.37 3.62 0.62 0.52 0.04 -1.26 -5.00 135.00 133.91 3a2w s PRO 189 Ca 0.80 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 63.60 3a2w s PRO 189 Cb -0.84 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 3a2w s PRO 189 CO 0.46 -0.71 1.26 -2.14 0.04 0.00 0.00 177.00 175.90 3a2w s PRO 190 N -2.69 2.78 0.00 0.56 0.02 -1.26 -4.95 135.00 129.46 3a2w s PRO 190 Ca 0.65 1.97 0.04 0.00 0.02 0.00 0.00 61.00 63.68 3a2w s PRO 190 Cb -0.33 -1.91 0.11 0.00 0.02 0.00 0.00 34.50 32.39 3a2w s PRO 190 CO 0.40 -1.39 1.03 0.25 -0.33 0.00 0.00 177.00 176.96 3a2w n THR 191 N -1.70 0.85 -3.92 0.99 -2.24 -1.26 -4.92 114.28 102.08 3a2w n THR 191 Ca 0.14 -0.92 -0.09 0.00 -2.27 0.00 0.00 64.05 60.91 3a2w n THR 191 Cb 0.49 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.90 0.15 0.16 4.28 -4.23 -1.26 -5.06 115.64 108.77 3a2w s THR 192 Ca 0.08 -1.20 -0.15 0.00 -1.18 0.00 0.00 61.69 59.24 3a2w s THR 192 Cb 0.05 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.77 3a2w s THR 192 CO 0.06 -0.66 1.82 -0.33 -0.54 0.00 0.00 174.62 174.97 3a2w h GLU 193 N 3.24 0.59 -0.11 3.99 5.08 -1.99 -0.92 114.58 124.45 3a2w h GLU 193 Ca -0.33 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3a2w h GLU 193 Cb 1.18 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3a2w h GLU 193 CO 0.54 0.39 0.07 -0.44 -1.00 0.00 0.00 179.01 178.57 3a2w h ASP 194 N 0.61 0.11 -0.93 1.42 3.32 -1.99 -1.26 116.42 117.69 3a2w h ASP 194 Ca 0.17 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.27 3a2w h ASP 194 Cb -0.06 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 3a2w h ASP 194 CO -0.04 0.08 0.61 -0.61 -1.72 0.00 0.00 179.24 177.56 3a2w h GLN 195 N 0.14 1.09 -0.32 3.56 4.15 -1.92 -0.08 115.11 121.73 3a2w h GLN 195 Ca 0.04 -0.07 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 3a2w h GLN 195 Cb -0.01 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.43 3a2w h GLN 195 CO -0.02 0.72 -0.35 0.00 -1.93 0.00 0.00 178.83 177.26 3a2w h ALA 196 N 1.47 0.47 -0.94 3.38 0.00 -0.81 -0.87 119.26 121.97 3a2w h ALA 196 Ca 0.38 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3a2w h ALA 196 Cb 0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3a2w h ALA 196 CO -0.13 0.54 0.62 -0.09 0.00 0.00 0.00 179.25 180.19 3a2w h ARG 197 N 0.57 1.23 0.48 0.00 2.43 -0.68 -2.13 114.38 116.27 3a2w h ARG 197 Ca 0.05 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3a2w h ARG 197 Cb 0.93 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3a2w h ARG 197 CO 0.08 0.81 -0.23 0.00 -1.51 0.00 0.00 179.97 179.13 3a2w h ALA 198 N 1.35 -1.14 -0.89 2.80 0.00 -0.74 -2.54 119.26 118.10 3a2w h ALA 198 Ca 0.35 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.27 3a2w h ALA 198 Cb -0.13 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 17.76 3a2w h ALA 198 CO -0.08 -1.09 -0.30 -2.13 0.00 0.00 0.00 179.25 175.65 3a2w n ARG 199 N -3.78 -0.16 0.07 0.00 3.00 -0.36 -2.06 116.66 113.38 3a2w n ARG 199 Ca -0.08 1.37 -0.03 0.00 -0.00 0.00 0.00 57.85 59.11 3a2w n ARG 199 Cb 0.25 -2.04 -0.01 0.00 0.00 0.00 0.00 32.46 30.66 3a2w n ARG 199 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 3a2w h MET 200 N 0.00 -0.19 -0.69 -0.14 2.86 -1.32 -3.08 114.93 112.38 3a2w h MET 200 Ca 0.35 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 58.20 3a2w h MET 200 Cb 0.57 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 3a2w h MET 200 CO -0.89 -0.12 0.49 1.05 1.06 0.00 0.00 176.91 178.49 3a2w h GLU 201 N -0.19 0.04 -0.42 1.72 4.11 -1.16 -0.38 114.58 118.29 3a2w h GLU 201 Ca -0.02 -0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.29 3a2w h GLU 201 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3a2w h GLU 201 CO 0.02 0.02 -0.22 0.66 0.07 0.00 0.00 179.01 179.57 3a2w h SER 202 N 0.04 0.87 -5.99 3.06 4.64 -1.46 -3.47 113.55 111.24 3a2w h SER 202 Ca 0.33 -0.32 -0.40 0.00 -0.47 0.00 0.00 61.79 60.94 3a2w h SER 202 Cb 1.26 -0.24 0.08 0.00 -0.31 0.00 0.00 62.40 63.19 3a2w h SER 202 CO -0.02 1.05 -0.83 0.61 -0.87 0.00 0.00 176.83 176.78 3a2w n GLY 203 N -0.20 -0.36 1.26 -0.77 0.00 -0.15 -4.90 105.19 100.07 3a2w n GLY 203 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3a2w n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2w n GLN 204 N -4.20 2.61 -4.11 1.61 10.64 -1.26 -4.94 117.38 117.74 3a2w n GLN 204 Ca -0.28 -2.47 -0.10 0.00 -1.83 0.00 0.00 57.00 52.32 3a2w n GLN 204 Cb 0.67 -1.54 -0.09 0.00 -0.86 0.00 0.00 30.24 28.42 3a2w n GLN 204 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3a2w s TYR 205 N -1.27 0.79 -0.07 2.61 1.51 -1.26 -5.06 117.35 114.61 3a2w s TYR 205 Ca 0.44 -1.12 -0.22 0.00 -1.01 0.00 0.00 57.07 55.16 3a2w s TYR 205 Cb 0.24 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 3a2w s TYR 205 CO 0.33 -0.63 0.64 1.03 -1.11 0.00 0.00 175.55 175.81 3a2w s ARG 206 N -4.05 4.41 0.02 -0.62 0.52 -1.06 -4.92 118.95 113.24 3a2w s ARG 206 Ca 0.26 0.77 0.04 0.00 -0.52 0.00 0.00 55.73 56.28 3a2w s ARG 206 Cb 0.06 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 3a2w s ARG 206 CO 0.04 0.11 -0.11 0.00 0.02 0.00 0.00 175.30 175.36 3a2w n LEU 208 N 2.22 0.32 -3.65 0.00 7.94 0.11 -4.98 117.00 118.97 3a2w n LEU 208 Ca -0.17 0.15 -0.03 0.00 -1.11 0.00 0.00 56.01 54.84 3a2w n LEU 208 Cb 0.56 0.28 -0.01 0.00 0.53 0.00 0.00 43.42 44.77 3a2w n LEU 208 CO 0.23 0.32 0.83 -0.62 -1.11 0.00 0.00 177.39 177.05 3a2w s ASP 209 N -5.49 -0.18 0.64 1.96 -1.08 -1.23 -4.97 116.67 106.31 3a2w s ASP 209 Ca -0.07 -0.21 0.31 0.00 -0.52 0.00 0.00 52.55 52.06 3a2w s ASP 209 Cb 0.08 0.35 1.68 0.00 -1.46 0.00 0.00 42.92 43.57 3a2w s ASP 209 CO 0.84 -0.62 1.99 4.11 0.52 0.00 0.00 175.17 182.01 3a2w h TRP 210 N 2.00 0.00 -0.02 -5.34 5.08 -1.94 0.27 115.95 116.00 3a2w h TRP 210 Ca -0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.73 3a2w h TRP 210 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3a2w h TRP 210 CO 0.33 0.00 -0.20 -2.67 -1.28 0.00 0.00 178.44 174.61 3a2w n TRP 211 N -3.26 0.00 -3.67 0.12 4.27 -1.26 -4.46 117.44 109.18 3a2w n TRP 211 Ca 0.01 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.33 3a2w n TRP 211 Cb 0.40 -0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.23 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 -2.21 2.11 0.08 -2.67 5.99 0.08 -4.60 117.98 116.76 3a2w s PHE 212 Ca 0.24 -2.60 0.09 0.00 0.00 0.00 0.00 56.93 54.66 3a2w s PHE 212 Cb 0.19 -1.81 -0.03 0.00 0.00 0.00 0.00 43.02 41.37 3a2w s PHE 212 CO 0.42 -0.74 -0.24 0.00 -0.00 0.00 0.00 175.22 174.67 3a2w s TRP 214 N -0.96 -0.02 0.33 0.00 1.48 0.10 -1.24 118.94 118.63 3a2w s TRP 214 Ca 0.10 -0.32 -0.03 0.00 -1.06 0.00 0.00 56.10 54.79 3a2w s TRP 214 Cb -0.10 0.25 -0.00 0.00 -1.16 0.00 0.00 33.47 32.46 3a2w s TRP 214 CO 0.04 -0.80 0.46 0.16 -4.06 0.00 0.00 176.95 172.74 3a2w s ASP 215 N -2.87 0.86 -0.67 -2.66 3.84 -0.68 -2.58 116.67 111.92 3a2w s ASP 215 Ca 0.09 -1.46 0.05 0.00 -0.00 0.00 0.00 52.55 51.24 3a2w s ASP 215 Cb 0.01 0.65 0.24 0.00 -1.38 0.00 0.00 42.92 42.43 3a2w s ASP 215 CO -0.05 -1.27 0.72 0.35 -0.00 0.00 0.00 175.17 174.92 3a2w n THR 216 N -0.55 2.32 0.99 2.11 -2.24 -1.26 0.05 114.28 115.70 3a2w n THR 216 Ca 0.01 -5.18 0.12 0.00 -2.27 0.00 0.00 64.05 56.74 3a2w n THR 216 Cb 0.62 -2.12 0.33 0.00 -2.10 0.00 0.00 70.33 67.06 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 1.09 0.00 -2.63 -0.78 -0.04 -1.26 -4.91 135.00 126.48 3a2w n PRO 217 Ca 0.28 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.34 3a2w n PRO 217 Cb 0.40 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 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 -3.00 3.34 0.81 0.55 0.00 -1.26 -5.01 121.76 117.19 3a2w s ALA 218 Ca 0.12 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 3a2w s ALA 218 Cb 0.18 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 20.12 3a2w s ALA 218 CO 0.66 0.03 1.14 -1.54 0.00 0.00 0.00 175.76 176.06 3a2w s SER 219 N -1.12 3.85 0.44 0.00 1.04 -1.26 -4.82 113.70 111.83 3a2w s SER 219 Ca 0.44 2.11 0.14 0.00 0.48 0.00 0.00 55.95 59.12 3a2w s SER 219 Cb -0.28 -2.56 0.97 0.00 0.10 0.00 0.00 66.02 64.26 3a2w s SER 219 CO 0.35 -2.48 1.98 -0.09 0.98 0.00 0.00 173.24 173.97 3a2w h ARG 220 N -1.12 0.01 -0.24 4.02 2.43 -1.99 -1.42 114.38 116.07 3a2w h ARG 220 Ca -0.45 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.62 3a2w h ARG 220 Cb 1.26 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3a2w h ARG 220 CO 0.47 0.20 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.43 3a2w h ASP 221 N 0.01 0.64 -0.55 -3.80 3.32 -1.99 -0.03 116.42 114.02 3a2w h ASP 221 Ca -0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 3a2w h ASP 221 Cb 0.35 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3a2w h ASP 221 CO 0.03 0.99 0.28 0.44 -1.72 0.00 0.00 179.24 179.26 3a2w h ASP 222 N 0.30 0.71 0.17 6.45 3.32 -1.82 -0.73 116.42 124.82 3a2w h ASP 222 Ca 0.03 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3a2w h ASP 222 Cb 0.82 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3a2w h ASP 222 CO 0.06 0.63 -0.08 0.58 -1.72 0.00 0.00 179.24 178.71 3a2w h VAL 223 N 0.74 0.90 -0.08 -1.35 2.07 -1.18 -2.48 116.25 114.87 3a2w h VAL 223 Ca 0.19 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 3a2w h VAL 223 Cb 0.09 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3a2w h VAL 223 CO -0.03 0.08 -0.36 -0.33 0.02 0.00 0.00 177.57 176.95 3a2w h GLU 224 N -0.38 0.17 -0.37 1.57 5.08 -0.96 -2.18 114.58 117.51 3a2w h GLU 224 Ca -0.02 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3a2w h GLU 224 Cb 0.30 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3a2w h GLU 224 CO 0.04 0.51 0.12 1.49 -1.00 0.00 0.00 179.01 180.17 3a2w h GLU 225 N 0.15 0.57 -0.30 2.33 4.81 -1.09 -1.30 114.58 119.75 3a2w h GLU 225 Ca 0.02 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 3a2w h GLU 225 Cb 0.71 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3a2w h GLU 225 CO 0.05 0.58 -0.21 0.00 -0.73 0.00 0.00 179.01 178.70 3a2w h ALA 226 N 0.96 1.08 -0.00 2.92 0.00 -1.25 -2.79 119.26 120.18 3a2w h ALA 226 Ca 0.12 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3a2w h ALA 226 Cb 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3a2w h ALA 226 CO -0.00 0.56 -0.61 -0.09 0.00 0.00 0.00 179.25 179.11 3a2w h ARG 227 N 0.50 0.01 -0.81 0.00 2.43 -1.19 -3.07 114.38 112.24 3a2w h ARG 227 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3a2w h ARG 227 Cb 0.64 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 3a2w h ARG 227 CO 0.05 0.61 0.46 -0.09 -1.51 0.00 0.00 179.97 179.49 3a2w h ARG 228 N 0.01 1.11 -0.30 0.20 2.43 -0.96 -0.50 114.38 116.36 3a2w h ARG 228 Ca -0.01 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3a2w h ARG 228 Cb 1.08 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 3a2w h ARG 228 CO 0.08 0.80 -0.05 1.88 -1.51 0.00 0.00 179.97 181.16 3a2w h TYR 229 N 1.12 -0.12 -0.37 2.20 0.99 -1.47 0.28 116.97 119.61 3a2w h TYR 229 Ca 0.29 0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.93 3a2w h TYR 229 Cb -0.00 0.10 -0.01 0.00 1.00 0.00 0.00 36.73 37.81 3a2w h TYR 229 CO 0.01 -0.11 -0.23 -0.07 -0.00 0.00 0.00 178.16 177.76 3a2w h LEU 230 N 0.02 0.73 -0.74 3.88 3.38 -1.51 -1.62 115.31 119.45 3a2w h LEU 230 Ca 0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3a2w h LEU 230 Cb 0.22 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3a2w h LEU 230 CO -0.29 0.94 0.45 -0.09 0.09 0.00 0.00 178.44 179.54 3a2w h ARG 231 N 0.63 1.01 -0.29 1.13 2.43 -0.34 -1.25 114.38 117.71 3a2w h ARG 231 Ca 0.09 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3a2w h ARG 231 Cb 0.72 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3a2w h ARG 231 CO 0.06 0.71 0.02 -0.09 -1.51 0.00 0.00 179.97 179.15 3a2w h ARG 232 N 1.02 0.49 -0.96 0.20 2.43 -0.73 -1.86 114.38 114.98 3a2w h ARG 232 Ca 0.27 -0.15 0.13 0.00 -0.81 0.00 0.00 59.98 59.42 3a2w h ARG 232 Cb -0.04 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.38 3a2w h ARG 232 CO -0.05 0.63 0.61 0.00 -1.51 0.00 0.00 179.97 179.65 3a2w h ALA 233 N 0.85 1.65 0.00 2.80 0.00 -0.90 -1.50 119.26 122.15 3a2w h ALA 233 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3a2w h ALA 233 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3a2w h ALA 233 CO 0.01 0.10 -0.08 0.00 0.00 0.00 0.00 179.25 179.28 3a2w h ALA 234 N 1.57 0.95 -2.74 0.00 0.00 -0.89 -3.46 119.26 114.69 3a2w h ALA 234 Ca 0.48 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.88 3a2w h ALA 234 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.39 3a2w h ALA 234 CO -0.25 0.00 0.47 -1.21 0.00 0.00 0.00 179.25 178.26 3a2w s GLU 235 N -3.14 4.64 -0.21 0.00 2.02 -0.57 -5.01 118.70 116.43 3a2w s GLU 235 Ca 0.09 1.75 -0.28 0.00 0.02 0.00 0.00 54.97 56.54 3a2w s GLU 235 Cb 0.10 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 31.10 3a2w s GLU 235 CO 0.63 0.17 1.00 0.21 0.02 0.00 0.00 175.26 177.29 3a2w s LYS 236 N -0.95 4.27 0.20 1.61 2.20 -1.26 -4.97 119.74 120.84 3a2w s LYS 236 Ca 0.46 1.29 -0.31 0.00 -0.36 0.00 0.00 55.97 57.05 3a2w s LYS 236 Cb -0.30 -3.63 -0.15 0.00 -1.51 0.00 0.00 37.83 32.23 3a2w s LYS 236 CO 0.38 -0.57 1.07 -0.35 -0.36 0.00 0.00 175.35 175.52 3a2w n PRO 237 N 6.08 1.09 -0.30 4.03 -0.04 -1.26 -4.88 135.00 139.72 3a2w n PRO 237 Ca 0.10 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.97 3a2w n PRO 237 Cb 0.47 -1.81 0.16 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.80 1.18 -1.94 0.55 0.00 -2.03 -3.43 119.26 116.39 3a2w h ALA 238 Ca -0.41 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3a2w h ALA 238 Cb 1.35 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 3a2w h ALA 238 CO 0.66 0.13 0.12 -1.59 0.00 0.00 0.00 179.25 178.58 3a2w s LYS 239 N -6.04 0.72 0.33 0.00 -2.85 -1.26 -5.16 119.74 105.49 3a2w s LYS 239 Ca -0.12 1.05 -0.28 0.00 -1.00 0.00 0.00 55.97 55.62 3a2w s LYS 239 Cb 0.19 0.25 -0.10 0.00 -2.06 0.00 0.00 37.83 36.12 3a2w s LYS 239 CO 0.78 -0.12 1.18 -0.51 0.10 0.00 0.00 175.35 176.79 3a2w s LEU 240 N 1.01 4.42 0.43 2.77 1.43 -1.26 -4.94 118.68 122.54 3a2w s LEU 240 Ca -0.05 2.42 0.29 0.00 -1.03 0.00 0.00 54.13 55.76 3a2w s LEU 240 Cb -0.05 -3.74 1.15 0.00 0.03 0.00 0.00 46.19 43.58 3a2w s LEU 240 CO -0.10 -0.40 1.86 -0.07 0.23 0.00 0.00 176.35 177.87 3a2w h LEU 241 N 3.36 0.00 -0.99 1.79 3.38 -2.00 -2.80 115.31 118.06 3a2w h LEU 241 Ca -0.48 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 3a2w h LEU 241 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3a2w h LEU 241 CO 0.65 0.00 -0.44 0.10 0.09 0.00 0.00 178.44 178.84 3a2w h TYR 242 N 0.00 0.00 -0.58 1.13 -0.00 -1.94 -2.83 116.97 112.75 3a2w h TYR 242 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.79 3a2w h TYR 242 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.19 3a2w h TYR 242 CO 0.00 0.44 0.29 0.93 -0.00 0.00 0.00 178.16 179.82 3a2w h GLU 243 N 0.00 0.53 -0.64 0.10 5.08 -1.89 -0.72 114.58 117.04 3a2w h GLU 243 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3a2w h GLU 243 Cb 0.89 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3a2w h GLU 243 CO 0.06 0.35 0.00 0.39 -1.00 0.00 0.00 179.01 178.81 3a2w n GLU 244 N -4.87 3.85 0.00 2.33 4.71 -1.20 -5.16 120.64 120.30 3a2w n GLU 244 Ca 0.07 -2.73 0.12 0.00 -0.01 0.00 0.00 57.16 54.61 3a2w n GLU 244 Cb 0.17 -1.96 0.10 0.00 -1.01 0.00 0.00 31.44 28.74 3a2w n GLU 244 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22