#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 0.63 -0.00 -1.23 0.00 -1.26 -5.08 107.32 100.38 3a2w s GLY 3 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.85 3a2w s GLY 3 CO 0.00 -0.52 -0.11 -0.45 0.00 0.00 0.00 173.10 172.01 3a2w s SER 4 N -3.08 4.29 0.13 1.64 0.15 -1.26 -5.13 113.70 110.44 3a2w s SER 4 Ca 0.20 -0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.58 3a2w s SER 4 Cb -0.03 -0.92 -0.02 0.00 -1.71 0.00 0.00 66.02 63.34 3a2w s SER 4 CO 0.13 0.29 0.16 0.27 1.20 0.00 0.00 173.24 175.29 3a2w s ILE 5 N -0.91 0.11 0.86 6.45 -5.25 -1.26 -3.53 121.20 117.68 3a2w s ILE 5 Ca 0.15 -1.55 -0.11 0.00 -0.99 0.00 0.00 60.65 58.15 3a2w s ILE 5 Cb -0.11 -1.77 0.11 0.00 2.95 0.00 0.00 42.46 43.64 3a2w s ILE 5 CO 0.05 -0.50 1.09 -2.84 -1.79 0.00 0.00 174.94 170.96 3a2w s PRO 6 N -3.97 1.51 0.10 0.37 0.02 -1.26 -5.01 135.00 126.76 3a2w s PRO 6 Ca 0.16 0.85 0.08 0.00 0.02 0.00 0.00 61.00 62.11 3a2w s PRO 6 Cb 0.05 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.70 3a2w s PRO 6 CO -0.03 -2.07 -0.22 -0.51 -0.33 0.00 0.00 177.00 173.84 3a2w s LEU 7 N -6.12 2.28 0.33 -5.54 1.43 -1.26 -5.09 118.68 104.71 3a2w s LEU 7 Ca 0.63 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 3a2w s LEU 7 Cb -0.17 -0.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.97 3a2w s LEU 7 CO 0.56 0.10 1.53 -0.38 0.23 0.00 0.00 176.35 178.39 3a2w n ILE 8 N 1.20 1.47 0.00 -0.59 5.41 -1.26 -1.48 119.36 124.11 3a2w n ILE 8 Ca -0.19 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.19 3a2w n ILE 8 Cb 0.53 -1.93 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 1.39 2.74 3.84 7.39 0.00 -0.40 -5.00 105.19 115.15 3a2w n GLY 9 Ca 0.05 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 3.96 0.22 1.61 2.02 -0.55 -4.77 118.70 121.19 3a2w s GLU 10 Ca 0.00 0.89 -0.30 0.00 0.02 0.00 0.00 54.97 55.58 3a2w s GLU 10 Cb 0.00 -2.19 -0.08 0.00 0.10 0.00 0.00 34.13 31.95 3a2w s GLU 10 CO 0.00 -0.19 0.97 0.50 0.02 0.00 0.00 175.26 176.57 3a2w s ARG 11 N -3.88 4.79 0.18 1.61 3.52 -1.26 -1.02 118.95 122.88 3a2w s ARG 11 Ca 0.58 1.54 -0.33 0.00 -0.13 0.00 0.00 55.73 57.39 3a2w s ARG 11 Cb -0.10 -3.29 -0.15 0.00 -1.56 0.00 0.00 34.95 29.85 3a2w s ARG 11 CO 0.28 0.40 1.22 0.34 -0.81 0.00 0.00 175.30 176.73 3a2w n PHE 12 N 1.75 1.47 -1.68 5.12 7.35 0.12 -4.77 117.46 126.82 3a2w n PHE 12 Ca -0.01 0.63 -0.51 0.00 -0.76 0.00 0.00 57.45 56.80 3a2w n PHE 12 Cb 0.47 -2.32 -0.05 0.00 0.35 0.00 0.00 39.48 37.93 3a2w n PHE 12 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3a2w n PRO 13 N 1.89 1.77 -1.99 -7.13 -0.02 -1.26 -4.57 135.00 123.68 3a2w n PRO 13 Ca 0.15 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 3a2w n PRO 13 Cb 0.25 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 3a2w n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3a2w s GLU 14 N 2.91 4.25 0.02 -0.52 2.12 -1.26 -4.57 118.70 121.66 3a2w s GLU 14 Ca 0.91 2.31 -0.28 0.00 0.36 0.00 0.00 54.97 58.26 3a2w s GLU 14 Cb -0.82 -3.13 0.10 0.00 0.26 0.00 0.00 34.13 30.53 3a2w s GLU 14 CO 0.52 -0.49 0.98 0.00 -0.54 0.00 0.00 175.26 175.73 3a2w s MET 15 N 0.24 0.84 -0.17 4.30 0.23 -0.47 -5.00 119.30 119.27 3a2w s MET 15 Ca 0.63 -0.38 -0.01 0.00 -1.03 0.00 0.00 55.69 54.91 3a2w s MET 15 Cb -0.42 0.34 -0.00 0.00 -1.53 0.00 0.00 34.83 33.22 3a2w s MET 15 CO 0.38 -0.37 -0.13 -2.00 -2.03 0.00 0.00 175.02 170.87 3a2w s GLU 16 N -3.04 3.28 0.13 3.16 2.12 -1.26 0.24 118.70 123.33 3a2w s GLU 16 Ca 0.08 -0.71 0.08 0.00 0.36 0.00 0.00 54.97 54.78 3a2w s GLU 16 Cb -0.01 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 3a2w s GLU 16 CO -0.05 -0.01 -0.19 0.14 -0.54 0.00 0.00 175.26 174.61 3a2w s VAL 17 N 0.90 1.72 -0.30 3.70 -7.23 0.70 -4.97 120.40 114.92 3a2w s VAL 17 Ca -0.03 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 3a2w s VAL 17 Cb -0.15 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 3a2w s VAL 17 CO -0.01 -0.18 0.37 -0.89 -0.31 0.00 0.00 175.10 174.08 3a2w s THR 18 N -1.56 5.16 0.39 5.32 2.01 -1.26 -1.25 115.64 124.45 3a2w s THR 18 Ca 0.10 0.38 0.08 0.00 0.31 0.00 0.00 61.69 62.55 3a2w s THR 18 Cb -0.08 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 3a2w s THR 18 CO 0.05 0.06 0.06 0.42 -0.69 0.00 0.00 174.62 174.52 3a2w s THR 19 N 2.07 2.29 -2.00 -0.82 -4.23 0.16 0.04 115.64 113.15 3a2w s THR 19 Ca 0.14 -1.90 0.22 0.00 -1.18 0.00 0.00 61.69 58.97 3a2w s THR 19 Cb -0.16 -2.92 0.62 0.00 1.34 0.00 0.00 72.50 71.37 3a2w s THR 19 CO 0.11 -0.07 1.70 -0.90 -0.54 0.00 0.00 174.62 174.92 3a2w n ASP 20 N -1.05 0.00 -0.14 3.99 5.68 -0.65 -1.22 116.55 123.17 3a2w n ASP 20 Ca -0.03 -0.85 0.07 0.00 -0.50 0.00 0.00 54.79 53.47 3a2w n ASP 20 Cb 0.65 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.58 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 -0.94 0.00 0.00 2.11 8.25 -1.26 -4.98 115.22 118.39 3a2w n HIS 21 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3a2w n HIS 21 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 1.24 0.74 3.67 -1.41 0.00 -0.35 -5.05 105.19 104.02 3a2w n GLY 22 Ca 0.04 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.02 5.06 0.16 1.61 1.01 -1.26 -0.66 120.40 125.30 3a2w s VAL 23 Ca 0.00 1.11 0.05 0.00 0.00 0.00 0.00 61.98 63.15 3a2w s VAL 23 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3a2w s VAL 23 CO 0.00 0.16 -0.11 0.27 0.00 0.00 0.00 175.10 175.41 3a2w s ILE 24 N 1.66 1.31 -0.16 2.22 -4.36 -0.38 -4.97 121.20 116.52 3a2w s ILE 24 Ca 0.28 -2.08 -0.06 0.00 -0.26 0.00 0.00 60.65 58.53 3a2w s ILE 24 Cb -0.16 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3a2w s ILE 24 CO 0.11 -0.70 0.03 -0.75 0.24 0.00 0.00 174.94 173.87 3a2w s LYS 25 N -3.67 3.73 -0.08 0.37 2.20 -1.26 -0.22 119.74 120.82 3a2w s LYS 25 Ca 0.18 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 3a2w s LYS 25 Cb 0.01 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 3a2w s LYS 25 CO 0.02 0.36 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.79 3a2w s LEU 26 N 0.11 3.17 0.00 5.43 1.43 0.14 -0.72 118.68 128.24 3a2w s LEU 26 Ca 0.03 -0.03 0.23 0.00 -1.03 0.00 0.00 54.13 53.33 3a2w s LEU 26 Cb -0.13 -1.70 0.69 0.00 0.03 0.00 0.00 46.19 45.08 3a2w s LEU 26 CO 0.01 0.35 1.53 -0.81 0.23 0.00 0.00 176.35 177.66 3a2w n PRO 27 N 2.34 1.93 -0.31 1.29 -0.04 -1.26 -1.37 135.00 137.59 3a2w n PRO 27 Ca -0.18 -1.39 0.16 0.00 -0.04 0.00 0.00 63.50 62.05 3a2w n PRO 27 Cb 0.53 -1.44 0.33 0.00 -0.04 0.00 0.00 33.50 32.88 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 2.95 -0.00 -0.84 3.54 5.19 -1.92 -0.75 116.42 124.59 3a2w h ASP 28 Ca 0.00 0.21 0.10 0.00 -0.62 0.00 0.00 57.03 56.72 3a2w h ASP 28 Cb 0.64 0.29 -0.06 0.00 0.18 0.00 0.00 39.33 40.38 3a2w h ASP 28 CO 0.00 -0.21 0.55 -0.74 -3.12 0.00 0.00 179.24 175.72 3a2w h HIS 29 N 0.17 0.87 0.09 4.55 2.76 -1.29 -1.45 115.15 120.85 3a2w h HIS 29 Ca 0.60 0.02 -0.36 0.00 -2.20 0.00 0.00 60.37 58.43 3a2w h HIS 29 Cb 1.27 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 3a2w h HIS 29 CO -0.26 0.40 -2.06 0.66 -1.30 0.00 0.00 177.93 175.37 3a2w n TYR 30 N -4.52 0.98 0.00 5.26 4.02 -0.52 -4.13 117.16 118.25 3a2w n TYR 30 Ca 0.14 0.22 -0.10 0.00 -0.01 0.00 0.00 57.90 58.16 3a2w n TYR 30 Cb 0.31 -1.13 -0.03 0.00 -0.02 0.00 0.00 39.34 38.47 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 0.05 0.38 0.00 -0.72 2.07 -1.06 -0.08 116.25 116.89 3a2w h VAL 31 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3a2w h VAL 31 Cb 2.02 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3a2w h VAL 31 CO 0.06 0.00 0.16 0.28 0.02 0.00 0.00 177.57 178.09 3a2w h SER 32 N -0.33 0.00 -0.02 0.57 0.02 -1.45 0.67 113.55 113.00 3a2w h SER 32 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3a2w h SER 32 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3a2w h SER 32 CO -0.32 0.00 -0.03 0.00 -1.14 0.00 0.00 176.83 175.34 3a2w n GLN 33 N -2.24 1.70 -2.41 3.45 6.02 -0.14 -4.95 117.38 118.82 3a2w n GLN 33 Ca -0.01 -1.60 -0.12 0.00 -0.01 0.00 0.00 57.00 55.26 3a2w n GLN 33 Cb 0.19 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.09 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 1.11 -0.09 3.57 1.08 0.00 0.23 -5.01 105.19 106.09 3a2w n GLY 34 Ca 0.11 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.84 2.06 0.38 1.61 1.02 -0.65 -4.87 119.74 114.45 3a2w s LYS 35 Ca 0.07 -1.32 0.01 0.00 0.02 0.00 0.00 55.97 54.76 3a2w s LYS 35 Cb -0.03 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 3a2w s LYS 35 CO 0.08 0.42 0.58 -1.58 -0.92 0.00 0.00 175.35 173.93 3a2w s TRP 36 N -1.82 3.33 -0.08 3.18 0.52 -0.99 -3.87 118.94 119.21 3a2w s TRP 36 Ca 0.26 0.20 -0.10 0.00 0.02 0.00 0.00 56.10 56.48 3a2w s TRP 36 Cb -0.08 -2.07 0.03 0.00 -1.15 0.00 0.00 33.47 30.19 3a2w s TRP 36 CO 0.16 -0.08 0.28 -0.59 0.02 0.00 0.00 176.95 176.73 3a2w s PHE 37 N -2.38 -0.27 -0.28 -1.98 -0.12 -0.58 -0.61 117.98 111.76 3a2w s PHE 37 Ca 0.44 0.62 -0.08 0.00 -0.05 0.00 0.00 56.93 57.86 3a2w s PHE 37 Cb -0.10 0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.38 3a2w s PHE 37 CO 0.36 -0.20 0.09 0.08 -0.05 0.00 0.00 175.22 175.50 3a2w s VAL 38 N -0.19 4.27 -0.26 -2.49 1.01 0.84 -1.82 120.40 121.77 3a2w s VAL 38 Ca -0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3a2w s VAL 38 Cb -0.03 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3a2w s VAL 38 CO 0.01 0.18 0.16 -0.22 0.00 0.00 0.00 175.10 175.23 3a2w s LEU 39 N 1.58 3.97 0.08 3.92 1.98 -0.59 -2.13 118.68 127.50 3a2w s LEU 39 Ca 0.05 0.01 0.04 0.00 -2.89 0.00 0.00 54.13 51.33 3a2w s LEU 39 Cb -0.16 -2.08 -0.03 0.00 0.66 0.00 0.00 46.19 44.57 3a2w s LEU 39 CO 0.04 0.00 -0.10 0.72 -1.89 0.00 0.00 176.35 175.12 3a2w s PHE 40 N 1.44 1.01 0.39 5.38 -0.12 -1.00 -0.18 117.98 124.90 3a2w s PHE 40 Ca 0.07 -0.60 0.05 0.00 -0.05 0.00 0.00 56.93 56.39 3a2w s PHE 40 Cb -0.15 -0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 41.62 3a2w s PHE 40 CO 0.07 -0.01 0.04 -1.54 -0.05 0.00 0.00 175.22 173.73 3a2w s SER 41 N -2.18 3.19 0.08 1.98 1.04 -0.66 -1.54 113.70 115.60 3a2w s SER 41 Ca 0.01 -1.45 -0.20 0.00 0.48 0.00 0.00 55.95 54.80 3a2w s SER 41 Cb -0.05 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.07 3a2w s SER 41 CO 0.00 -0.62 0.47 -1.38 0.98 0.00 0.00 173.24 172.69 3a2w s HIS 42 N -3.02 -0.33 0.09 5.02 -3.43 -0.63 -3.92 115.29 109.06 3a2w s HIS 42 Ca 0.30 0.24 -0.34 0.00 -0.80 0.00 0.00 55.06 54.46 3a2w s HIS 42 Cb 0.08 0.31 -0.15 0.00 -1.43 0.00 0.00 32.58 31.38 3a2w s HIS 42 CO 0.15 -0.66 1.57 -1.00 -2.00 0.00 0.00 174.74 172.80 3a2w h PRO 43 N 2.67 -0.86 -3.11 -0.38 0.13 -1.75 -3.41 132.00 125.29 3a2w h PRO 43 Ca -0.32 0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3a2w h PRO 43 Cb 1.23 0.20 -0.11 0.00 0.13 0.00 0.00 31.00 32.44 3a2w h PRO 43 CO 0.43 -0.58 0.14 0.00 -0.23 0.00 0.00 178.00 177.76 3a2w s ALA 44 N -5.88 -1.37 0.63 -0.56 0.00 -1.26 -4.39 121.76 108.93 3a2w s ALA 44 Ca -0.17 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.89 3a2w s ALA 44 Cb 0.05 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 3a2w s ALA 44 CO 0.61 -0.77 1.08 -0.51 0.00 0.00 0.00 175.76 176.18 3a2w s ASP 45 N -2.79 5.44 -1.05 0.00 1.01 -1.26 -3.79 116.67 114.24 3a2w s ASP 45 Ca 0.03 1.89 -0.04 0.00 0.71 0.00 0.00 52.55 55.14 3a2w s ASP 45 Cb -0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3a2w s ASP 45 CO -0.10 -1.40 0.90 0.49 0.21 0.00 0.00 175.17 175.27 3a2w n PHE 46 N -2.27 -2.11 -4.55 4.23 3.01 -1.26 -5.03 117.46 109.49 3a2w n PHE 46 Ca 0.09 0.80 -0.23 0.00 1.01 0.00 0.00 57.45 59.12 3a2w n PHE 46 Cb 0.52 -4.38 -0.16 0.00 -0.01 0.00 0.00 39.48 35.46 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 -3.27 1.03 0.13 4.37 -4.23 -1.25 -5.09 115.64 107.33 3a2w s THR 47 Ca 0.28 -0.47 -0.32 0.00 -1.18 0.00 0.00 61.69 60.00 3a2w s THR 47 Cb -0.12 -0.92 -0.09 0.00 1.34 0.00 0.00 72.50 72.71 3a2w s THR 47 CO 0.59 0.32 1.56 1.55 -0.54 0.00 0.00 174.62 178.09 3a2w h PRO 48 N 6.55 -0.42 -0.25 3.99 0.13 -1.95 -1.43 132.00 138.62 3a2w h PRO 48 Ca -0.33 0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.84 3a2w h PRO 48 Cb 1.17 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3a2w h PRO 48 CO 0.48 -0.28 0.13 0.28 -0.23 0.00 0.00 178.00 178.38 3a2w h VAL 49 N -0.43 1.01 -0.62 1.56 2.07 -1.99 -1.29 116.25 116.56 3a2w h VAL 49 Ca 0.08 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3a2w h VAL 49 Cb 0.62 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3a2w h VAL 49 CO -0.55 0.05 0.29 0.28 0.02 0.00 0.00 177.57 177.66 3a2w h SER 50 N 0.28 0.36 -0.22 0.57 0.02 -1.88 -1.05 113.55 111.62 3a2w h SER 50 Ca 0.10 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3a2w h SER 50 Cb 0.01 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3a2w h SER 50 CO -0.06 0.22 0.05 0.74 -1.14 0.00 0.00 176.83 176.64 3a2w h THR 51 N 0.52 0.91 -0.86 -2.27 2.02 -0.61 -0.30 112.91 112.30 3a2w h THR 51 Ca 0.30 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.48 3a2w h THR 51 Cb 0.30 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 3a2w h THR 51 CO -0.25 0.03 0.56 0.71 0.37 0.00 0.00 175.52 176.94 3a2w h THR 52 N 0.14 1.09 -0.46 3.16 1.35 -0.50 -1.51 112.91 116.19 3a2w h THR 52 Ca 0.10 -0.34 -0.08 0.00 -0.55 0.00 0.00 66.41 65.54 3a2w h THR 52 Cb 0.09 -0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.50 3a2w h THR 52 CO -0.13 0.18 -0.02 -0.33 -0.25 0.00 0.00 175.52 174.97 3a2w h GLU 53 N 1.00 0.82 -0.61 4.72 5.08 -0.21 -0.78 114.58 124.60 3a2w h GLU 53 Ca 0.36 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3a2w h GLU 53 Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3a2w h GLU 53 CO -0.12 0.89 0.19 0.74 -1.00 0.00 0.00 179.01 179.71 3a2w h PHE 54 N 0.66 0.99 -0.76 4.33 -1.00 -0.57 -0.27 116.94 120.33 3a2w h PHE 54 Ca 0.13 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.82 3a2w h PHE 54 Cb 0.53 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.77 3a2w h PHE 54 CO 0.04 0.81 0.50 0.28 -1.61 0.00 0.00 178.31 178.33 3a2w h VAL 55 N 0.87 1.18 -0.51 -0.55 2.07 -1.14 0.87 116.25 119.04 3a2w h VAL 55 Ca 0.20 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3a2w h VAL 55 Cb 0.29 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3a2w h VAL 55 CO -0.01 0.19 0.24 -1.28 0.02 0.00 0.00 177.57 176.73 3a2w h SER 56 N 1.01 0.67 -0.51 0.57 0.87 -0.51 -1.51 113.55 114.15 3a2w h SER 56 Ca 0.28 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 3a2w h SER 56 Cb -0.10 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 3a2w h SER 56 CO -0.07 0.61 -0.02 -0.26 -0.53 0.00 0.00 176.83 176.56 3a2w h PHE 57 N 0.68 0.99 0.07 2.24 -1.00 -0.56 -2.84 116.94 116.51 3a2w h PHE 57 Ca 0.17 -0.18 0.01 0.00 2.81 0.00 0.00 57.97 60.78 3a2w h PHE 57 Cb 0.12 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 3a2w h PHE 57 CO -0.01 0.93 -0.10 0.00 -1.61 0.00 0.00 178.31 177.52 3a2w h ALA 58 N 0.93 -0.17 -0.63 2.45 0.00 -0.60 0.58 119.26 121.82 3a2w h ALA 58 Ca 0.14 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.17 3a2w h ALA 58 Cb 0.55 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3a2w h ALA 58 CO 0.03 -0.62 0.43 0.00 0.00 0.00 0.00 179.25 179.09 3a2w h ARG 59 N -0.21 0.28 -0.22 0.00 3.08 -1.25 -0.80 114.38 115.26 3a2w h ARG 59 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3a2w h ARG 59 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3a2w h ARG 59 CO -0.06 0.19 0.00 0.54 -1.07 0.00 0.00 179.97 179.57 3a2w n ARG 60 N -4.45 2.22 -0.21 0.04 1.74 -0.78 -4.46 116.66 110.77 3a2w n ARG 60 Ca 0.11 -1.83 0.19 0.00 -0.77 0.00 0.00 57.85 55.56 3a2w n ARG 60 Cb 0.49 -1.47 0.53 0.00 -1.02 0.00 0.00 32.46 30.99 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 3.85 0.46 -0.36 -1.55 3.20 0.64 0.84 116.97 124.05 3a2w h TYR 61 Ca 0.00 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 3a2w h TYR 61 Cb 0.84 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 3a2w h TYR 61 CO 0.14 0.14 -0.42 1.49 -1.64 0.00 0.00 178.16 177.86 3a2w h GLU 62 N 0.36 0.92 -0.80 1.82 4.81 -1.79 -0.88 114.58 119.02 3a2w h GLU 62 Ca 0.43 -0.50 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3a2w h GLU 62 Cb 1.13 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 3a2w h GLU 62 CO -0.14 1.15 0.40 -0.44 -0.73 0.00 0.00 179.01 179.25 3a2w h ASP 63 N 0.74 1.03 -0.29 1.04 3.32 -1.17 0.43 116.42 121.53 3a2w h ASP 63 Ca 0.05 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 3a2w h ASP 63 Cb 1.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3a2w h ASP 63 CO 0.10 0.86 -0.24 -0.26 -1.72 0.00 0.00 179.24 177.98 3a2w h PHE 64 N 1.14 0.89 -0.57 4.55 -1.00 -1.16 -3.04 116.94 117.74 3a2w h PHE 64 Ca 0.28 -0.21 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 3a2w h PHE 64 Cb 0.10 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.42 3a2w h PHE 64 CO 0.01 0.94 0.04 0.37 -1.61 0.00 0.00 178.31 178.06 3a2w h GLN 65 N 0.67 0.95 -0.80 1.51 4.15 -0.43 -1.01 115.11 120.15 3a2w h GLN 65 Ca 0.09 -0.26 0.08 0.00 0.77 0.00 0.00 58.65 59.33 3a2w h GLN 65 Cb 0.76 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 3a2w h GLN 65 CO 0.06 0.91 0.52 0.00 -1.93 0.00 0.00 178.83 178.39 3a2w h ARG 66 N 0.89 0.77 -0.00 1.69 3.08 -0.82 -0.49 114.38 119.49 3a2w h ARG 66 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3a2w h ARG 66 Cb 0.46 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3a2w h ARG 66 CO 0.02 0.51 -0.10 1.28 -1.07 0.00 0.00 179.97 180.60 3a2w n LEU 67 N -4.50 0.41 -0.86 3.04 4.77 -0.97 -4.92 117.00 113.97 3a2w n LEU 67 Ca 0.13 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.12 3a2w n LEU 67 Cb 0.28 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3a2w n LEU 67 CO 0.33 0.08 0.02 0.61 -1.33 0.00 0.00 177.39 177.10 3a2w n GLY 68 N 1.29 0.64 3.16 -0.72 0.00 -0.19 -4.95 105.19 104.41 3a2w n GLY 68 Ca 0.14 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.88 1.69 0.24 1.61 1.01 -0.42 -2.34 120.40 119.31 3a2w s VAL 69 Ca 0.07 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3a2w s VAL 69 Cb -0.03 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3a2w s VAL 69 CO 0.09 0.48 0.24 -1.81 0.00 0.00 0.00 175.10 174.10 3a2w s ASP 70 N 0.25 5.78 -0.01 3.32 1.01 0.22 -3.74 116.67 123.50 3a2w s ASP 70 Ca -0.11 -0.14 0.07 0.00 0.71 0.00 0.00 52.55 53.08 3a2w s ASP 70 Cb -0.15 -1.55 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 3a2w s ASP 70 CO 0.05 -0.04 -0.23 -0.76 0.21 0.00 0.00 175.17 174.41 3a2w s LEU 71 N -3.81 2.29 -0.14 1.23 1.43 -1.26 -0.11 118.68 118.31 3a2w s LEU 71 Ca 0.33 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3a2w s LEU 71 Cb -0.08 -1.40 0.06 0.00 0.03 0.00 0.00 46.19 44.80 3a2w s LEU 71 CO 0.26 0.31 0.31 -0.51 0.23 0.00 0.00 176.35 176.94 3a2w s ILE 72 N -0.72 -0.33 0.47 -0.59 2.07 -0.90 -4.15 121.20 117.05 3a2w s ILE 72 Ca 0.11 0.21 -0.03 0.00 -1.41 0.00 0.00 60.65 59.53 3a2w s ILE 72 Cb -0.10 -0.49 0.10 0.00 0.13 0.00 0.00 42.46 42.10 3a2w s ILE 72 CO 0.01 0.09 0.65 0.61 -1.91 0.00 0.00 174.94 174.38 3a2w n GLY 73 N 4.99 0.04 3.64 1.50 0.00 -0.20 -2.37 105.19 112.78 3a2w n GLY 73 Ca -0.13 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 43.96 3a2w n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a2w s LEU 74 N 0.00 -0.41 0.17 0.99 2.96 -0.59 -1.16 118.68 120.64 3a2w s LEU 74 Ca 0.40 0.69 -0.23 0.00 -0.22 0.00 0.00 54.13 54.78 3a2w s LEU 74 Cb -0.02 1.66 0.07 0.00 0.50 0.00 0.00 46.19 48.39 3a2w s LEU 74 CO 0.27 -0.11 0.61 -0.94 -1.32 0.00 0.00 176.35 174.86 3a2w s SER 75 N 0.93 -0.54 0.04 3.68 1.04 -1.00 -1.61 113.70 116.24 3a2w s SER 75 Ca -0.05 -0.05 0.13 0.00 0.48 0.00 0.00 55.95 56.47 3a2w s SER 75 Cb -0.04 0.61 0.58 0.00 0.10 0.00 0.00 66.02 67.27 3a2w s SER 75 CO -0.12 -1.00 1.42 1.33 0.98 0.00 0.00 173.24 175.85 3a2w n VAL 76 N -0.39 1.15 -1.07 5.02 0.24 -1.26 -0.70 118.33 121.33 3a2w n VAL 76 Ca -0.16 0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 62.15 3a2w n VAL 76 Cb 0.64 -1.13 0.15 0.00 -1.47 0.00 0.00 33.84 32.04 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 -3.19 3.19 0.75 -1.34 1.11 -1.26 -1.89 116.67 114.04 3a2w s ASP 77 Ca 0.05 1.61 -0.10 0.00 0.18 0.00 0.00 52.55 54.29 3a2w s ASP 77 Cb 0.08 -2.26 0.06 0.00 1.07 0.00 0.00 42.92 41.87 3a2w s ASP 77 CO 0.23 -2.83 1.11 -0.94 1.18 0.00 0.00 175.17 173.92 3a2w s SER 78 N -3.22 4.78 0.47 0.27 1.04 -1.26 -3.62 113.70 112.16 3a2w s SER 78 Ca 0.64 0.74 0.22 0.00 0.48 0.00 0.00 55.95 58.03 3a2w s SER 78 Cb -0.19 -1.34 1.17 0.00 0.10 0.00 0.00 66.02 65.75 3a2w s SER 78 CO 0.58 -1.70 1.98 -0.37 0.98 0.00 0.00 173.24 174.71 3a2w h VAL 79 N -0.83 0.79 -0.45 5.02 -1.51 -1.94 -2.20 116.25 115.12 3a2w h VAL 79 Ca -0.45 -0.78 -0.13 0.00 -1.23 0.00 0.00 66.70 64.10 3a2w h VAL 79 Cb 1.31 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 3a2w h VAL 79 CO 0.64 0.19 -0.22 -0.26 -1.23 0.00 0.00 177.57 176.69 3a2w h PHE 80 N 0.00 1.09 -0.29 5.19 -1.00 -1.99 -1.38 116.94 118.56 3a2w h PHE 80 Ca -0.00 -0.27 -0.14 0.00 2.81 0.00 0.00 57.97 60.37 3a2w h PHE 80 Cb 0.46 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 3a2w h PHE 80 CO 0.00 1.08 -0.39 0.77 -1.61 0.00 0.00 178.31 178.16 3a2w h SER 81 N 0.79 0.72 -0.20 2.17 0.02 -1.87 -1.38 113.55 113.80 3a2w h SER 81 Ca 0.10 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.76 3a2w h SER 81 Cb 0.79 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 3a2w h SER 81 CO 0.07 1.03 0.00 0.45 -1.14 0.00 0.00 176.83 177.24 3a2w h HIS 82 N 0.56 -0.01 -0.37 3.45 3.86 -1.12 0.35 115.15 121.87 3a2w h HIS 82 Ca 0.05 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.14 3a2w h HIS 82 Cb 0.92 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 3a2w h HIS 82 CO 0.04 -0.03 -0.31 0.82 0.86 0.00 0.00 177.93 179.32 3a2w h ILE 83 N 0.07 1.28 -0.58 2.45 2.04 -1.15 -1.25 117.51 120.36 3a2w h ILE 83 Ca 0.09 -1.46 -0.11 0.00 1.00 0.00 0.00 64.86 64.39 3a2w h ILE 83 Cb 0.12 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3a2w h ILE 83 CO -0.16 0.48 -0.05 0.11 0.00 0.00 0.00 178.15 178.53 3a2w h LYS 84 N 0.69 1.06 -0.72 2.37 1.79 -0.83 -1.62 116.57 119.31 3a2w h LYS 84 Ca 0.08 -0.36 -0.05 0.00 -2.18 0.00 0.00 60.65 58.13 3a2w h LYS 84 Cb 0.85 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 3a2w h LYS 84 CO 0.07 1.06 0.26 2.35 -1.08 0.00 0.00 179.45 182.12 3a2w h TRP 85 N 0.95 1.12 -0.42 -1.35 7.01 -0.17 -1.56 115.95 121.53 3a2w h TRP 85 Ca 0.16 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 3a2w h TRP 85 Cb 0.62 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 3a2w h TRP 85 CO 0.04 0.87 0.08 0.87 -2.79 0.00 0.00 178.44 177.52 3a2w h LYS 86 N 1.04 0.69 -0.90 2.65 1.57 -1.00 -1.96 116.57 118.66 3a2w h LYS 86 Ca 0.23 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3a2w h LYS 86 Cb 0.25 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3a2w h LYS 86 CO -0.01 0.72 0.59 0.93 -0.57 0.00 0.00 179.45 181.10 3a2w h GLU 87 N 0.55 1.00 0.29 3.15 5.08 -0.95 -0.82 114.58 122.88 3a2w h GLU 87 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3a2w h GLU 87 Cb 0.35 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3a2w h GLU 87 CO 0.01 0.66 -0.14 2.35 -1.00 0.00 0.00 179.01 180.89 3a2w h TRP 88 N 1.03 -0.36 -0.92 4.33 7.01 -0.90 -1.84 115.95 124.31 3a2w h TRP 88 Ca 0.39 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.45 3a2w h TRP 88 Cb 0.19 0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 27.31 3a2w h TRP 88 CO -0.00 -0.15 0.60 0.82 -2.79 0.00 0.00 178.44 176.91 3a2w h ILE 89 N -0.49 1.06 -0.26 2.65 2.04 -0.91 0.94 117.51 122.55 3a2w h ILE 89 Ca -0.04 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.34 3a2w h ILE 89 Cb 0.37 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3a2w h ILE 89 CO 0.06 0.19 -0.37 -0.08 0.00 0.00 0.00 178.15 177.95 3a2w h GLU 90 N 1.04 0.58 0.00 2.37 4.81 -0.99 -0.79 114.58 121.60 3a2w h GLU 90 Ca 0.40 -0.28 -0.21 0.00 -0.13 0.00 0.00 59.36 59.13 3a2w h GLU 90 Cb 0.21 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 3a2w h GLU 90 CO -0.15 0.86 -1.41 0.07 -0.73 0.00 0.00 179.01 177.65 3a2w h ARG 91 N 0.48 0.00 0.06 1.92 0.11 -0.80 -2.74 114.38 113.41 3a2w h ARG 91 Ca 0.05 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.76 3a2w h ARG 91 Cb 0.87 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.90 3a2w h ARG 91 CO 0.07 0.45 -2.20 0.72 0.10 0.00 0.00 179.97 179.12 3a2w n HIS 92 N -3.02 0.65 -0.02 4.08 8.25 0.28 -4.44 115.22 121.00 3a2w n HIS 92 Ca -0.10 0.15 0.03 0.00 -0.26 0.00 0.00 57.72 57.53 3a2w n HIS 92 Cb 0.92 -1.09 -0.14 0.00 1.12 0.00 0.00 29.99 30.81 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 -3.32 0.68 -1.40 1.59 2.08 -0.40 -4.45 119.36 114.14 3a2w n ILE 93 Ca -0.37 -0.65 -0.01 0.00 0.56 0.00 0.00 62.75 62.29 3a2w n ILE 93 Cb 1.03 -0.30 -0.00 0.00 -0.75 0.00 0.00 39.64 39.62 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 1.42 0.39 3.15 7.39 0.00 -0.60 -4.94 105.19 112.01 3a2w n GLY 94 Ca -0.13 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.02 1.84 -0.08 1.61 1.01 -1.19 -4.96 120.40 116.60 3a2w s VAL 95 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 3a2w s VAL 95 Cb 0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3a2w s VAL 95 CO 0.00 0.51 0.77 -0.13 0.00 0.00 0.00 175.10 176.25 3a2w s ARG 96 N 0.59 4.42 -0.51 2.72 1.81 -1.26 -3.32 118.95 123.40 3a2w s ARG 96 Ca -0.14 0.98 -0.19 0.00 -1.72 0.00 0.00 55.73 54.66 3a2w s ARG 96 Cb -0.17 -3.48 0.06 0.00 -0.45 0.00 0.00 34.95 30.91 3a2w s ARG 96 CO 0.04 -0.04 0.65 0.42 -0.68 0.00 0.00 175.30 175.69 3a2w s ILE 97 N 1.15 4.84 0.07 1.52 1.01 -1.26 -4.91 121.20 123.60 3a2w s ILE 97 Ca 0.40 -0.44 0.19 0.00 0.00 0.00 0.00 60.65 60.80 3a2w s ILE 97 Cb -0.18 -4.32 0.15 0.00 0.01 0.00 0.00 42.46 38.12 3a2w s ILE 97 CO 0.18 -0.83 1.68 1.55 0.00 0.00 0.00 174.94 177.52 3a2w h PRO 98 N 9.02 0.00 -6.54 2.79 0.13 -1.95 -3.47 132.00 131.98 3a2w h PRO 98 Ca -0.27 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.37 3a2w h PRO 98 Cb 1.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.23 3a2w h PRO 98 CO 0.98 0.36 -0.16 -0.59 -0.23 0.00 0.00 178.00 178.35 3a2w s PHE 99 N -3.44 3.50 0.69 1.56 -0.12 -1.26 -5.09 117.98 113.82 3a2w s PHE 99 Ca 0.01 0.42 -0.11 0.00 -0.05 0.00 0.00 56.93 57.20 3a2w s PHE 99 Cb 0.10 -1.95 0.01 0.00 -0.63 0.00 0.00 43.02 40.54 3a2w s PHE 99 CO 0.69 0.10 1.06 -1.25 -0.05 0.00 0.00 175.22 175.77 3a2w s PRO 100 N -4.23 2.96 -0.05 1.99 0.04 -1.26 -4.90 135.00 129.55 3a2w s PRO 100 Ca 0.41 0.85 0.02 0.00 0.04 0.00 0.00 61.00 62.32 3a2w s PRO 100 Cb -0.10 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.45 3a2w s PRO 100 CO 0.36 -1.05 -0.10 0.42 0.04 0.00 0.00 177.00 176.67 3a2w s ILE 101 N -3.10 0.89 0.17 0.56 1.01 -1.26 -1.03 121.20 118.44 3a2w s ILE 101 Ca 0.58 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.59 3a2w s ILE 101 Cb -0.13 -0.83 -0.08 0.00 0.01 0.00 0.00 42.46 41.43 3a2w s ILE 101 CO 0.55 0.29 0.87 -0.63 0.00 0.00 0.00 174.94 176.01 3a2w s ILE 102 N 0.57 4.31 -0.40 2.92 1.01 -0.31 -1.64 121.20 127.67 3a2w s ILE 102 Ca -0.10 1.90 -0.11 0.00 0.00 0.00 0.00 60.65 62.34 3a2w s ILE 102 Cb -0.13 -4.24 0.05 0.00 0.01 0.00 0.00 42.46 38.15 3a2w s ILE 102 CO 0.02 0.47 0.24 0.00 0.00 0.00 0.00 174.94 175.67 3a2w s ALA 103 N -0.86 3.31 -0.62 9.38 0.00 0.11 -2.38 121.76 130.70 3a2w s ALA 103 Ca 0.40 -1.88 0.04 0.00 0.00 0.00 0.00 51.96 50.51 3a2w s ALA 103 Cb -0.24 -2.67 0.36 0.00 0.00 0.00 0.00 23.12 20.57 3a2w s ALA 103 CO 0.29 -1.50 1.17 -3.47 0.00 0.00 0.00 175.76 172.24 3a2w n ASP 104 N 5.00 5.10 -4.74 0.00 2.03 0.13 -4.61 116.55 119.47 3a2w n ASP 104 Ca -0.11 -3.71 -0.33 0.00 0.52 0.00 0.00 54.79 51.16 3a2w n ASP 104 Cb 0.45 -0.64 0.09 0.00 -0.72 0.00 0.00 41.12 40.29 3a2w n ASP 104 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3a2w s PRO 105 N -3.64 2.22 0.00 -0.67 0.04 -0.79 -1.37 135.00 130.78 3a2w s PRO 105 Ca 0.48 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3a2w s PRO 105 Cb 0.31 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.98 3a2w s PRO 105 CO -0.17 -1.73 0.00 1.04 0.04 0.00 0.00 177.00 176.19 3a2w n GLN 106 N -2.90 0.00 -1.96 4.56 1.13 -1.26 -4.27 117.38 112.68 3a2w n GLN 106 Ca 0.12 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.03 3a2w n GLN 106 Cb 0.51 -0.91 -0.03 0.00 0.11 0.00 0.00 30.24 29.92 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 0.42 0.48 1.08 0.00 -0.47 -4.94 105.19 99.76 3a2w n GLY 107 Ca 0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 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 0.07 -0.75 2.61 2.02 -1.77 -1.48 112.91 113.61 3a2w h THR 108 Ca -0.34 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3a2w h THR 108 Cb 1.15 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 3a2w h THR 108 CO 0.43 0.00 0.41 0.58 0.37 0.00 0.00 175.52 177.31 3a2w h VAL 109 N -1.04 1.22 -0.81 3.16 2.07 -1.92 -2.73 116.25 116.21 3a2w h VAL 109 Ca -0.07 -0.57 0.12 0.00 0.82 0.00 0.00 66.70 67.00 3a2w h VAL 109 Cb 0.87 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 3a2w h VAL 109 CO 0.01 0.25 0.43 0.00 0.02 0.00 0.00 177.57 178.28 3a2w h ALA 110 N 1.39 1.17 -0.14 1.67 0.00 -1.78 -2.25 119.26 119.32 3a2w h ALA 110 Ca 0.27 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 55.03 3a2w h ALA 110 Cb 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3a2w h ALA 110 CO -0.04 -0.02 -0.70 0.00 0.00 0.00 0.00 179.25 178.49 3a2w h ARG 111 N 0.67 0.72 -0.76 0.00 3.08 -0.98 0.47 114.38 117.59 3a2w h ARG 111 Ca 0.41 -0.59 0.16 0.00 0.07 0.00 0.00 59.98 60.03 3a2w h ARG 111 Cb 0.48 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 3a2w h ARG 111 CO -0.30 1.20 0.51 -0.09 -1.07 0.00 0.00 179.97 180.22 3a2w h ARG 112 N 0.43 0.37 -0.27 0.04 9.65 -1.25 0.10 114.38 123.44 3a2w h ARG 112 Ca -0.05 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3a2w h ARG 112 Cb 1.33 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 3a2w h ARG 112 CO 0.14 0.24 0.00 1.28 2.80 0.00 0.00 179.97 184.44 3a2w n LEU 113 N -4.47 2.93 -3.77 3.80 4.77 -0.88 -4.40 117.00 114.98 3a2w n LEU 113 Ca 0.15 -1.48 -0.25 0.00 -0.03 0.00 0.00 56.01 54.40 3a2w n LEU 113 Cb 0.56 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 3a2w n LEU 113 CO 0.33 0.64 -0.12 0.61 -1.33 0.00 0.00 177.39 177.51 3a2w n GLY 114 N 1.04 -0.46 0.97 -0.72 0.00 0.35 -4.53 105.19 101.83 3a2w n GLY 114 Ca 0.14 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.26 2.90 -4.36 0.99 4.77 -0.00 -4.81 117.00 112.23 3a2w n LEU 115 Ca -0.25 -1.25 -0.39 0.00 -0.03 0.00 0.00 56.01 54.09 3a2w n LEU 115 Cb 0.66 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 3a2w n LEU 115 CO 0.70 0.63 -0.21 -0.76 -1.33 0.00 0.00 177.39 176.42 3a2w s LEU 116 N -1.48 4.40 0.00 2.23 1.43 -1.26 -0.16 118.68 123.84 3a2w s LEU 116 Ca 0.37 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 3a2w s LEU 116 Cb 0.21 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.50 3a2w s LEU 116 CO 0.30 -0.31 0.29 1.41 0.23 0.00 0.00 176.35 178.26 3a2w n HIS 117 N 4.93 -1.37 -0.24 0.29 8.25 -1.25 -5.02 115.22 120.81 3a2w n HIS 117 Ca -0.13 -1.31 0.19 0.00 -0.26 0.00 0.00 57.72 56.21 3a2w n HIS 117 Cb 0.46 -0.27 0.51 0.00 1.12 0.00 0.00 29.99 31.81 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 0.60 2.19 0.45 -1.41 0.00 -1.98 -3.08 119.26 116.03 3a2w h ALA 118 Ca -0.19 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3a2w h ALA 118 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3a2w h ALA 118 CO 0.29 -0.46 -0.22 0.93 0.00 0.00 0.00 179.25 179.79 3a2w h GLU 119 N 0.41 -0.58 -5.42 0.00 5.08 -1.98 -3.43 114.58 108.66 3a2w h GLU 119 Ca 0.46 0.04 -0.55 0.00 -1.00 0.00 0.00 59.36 58.30 3a2w h GLU 119 Cb 1.13 0.13 -0.31 0.00 0.50 0.00 0.00 28.75 30.20 3a2w h GLU 119 CO -0.17 -0.37 -0.84 0.45 -1.00 0.00 0.00 179.01 177.08 3a2w s SER 120 N -4.68 2.10 0.00 1.42 0.15 -1.16 -5.00 113.70 106.53 3a2w s SER 120 Ca -0.16 -0.34 0.25 0.00 0.70 0.00 0.00 55.95 56.40 3a2w s SER 120 Cb 0.04 -0.46 0.41 0.00 -1.71 0.00 0.00 66.02 64.31 3a2w s SER 120 CO 0.63 0.17 1.36 0.00 1.20 0.00 0.00 173.24 176.60 3a2w n ALA 121 N 2.97 3.08 -0.03 5.45 0.00 -1.26 -3.88 120.51 126.83 3a2w n ALA 121 Ca -0.17 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.69 3a2w n ALA 121 Cb 0.53 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 0.06 0.45 -4.94 0.00 -2.24 -1.26 -5.04 114.28 101.31 3a2w n THR 122 Ca 0.12 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 3a2w n THR 122 Cb 0.44 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.71 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 -2.16 2.54 0.61 4.78 4.02 -1.26 -4.91 115.29 118.92 3a2w s HIS 123 Ca -0.03 -0.27 -0.17 0.00 1.02 0.00 0.00 55.06 55.60 3a2w s HIS 123 Cb 0.02 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.58 30.02 3a2w s HIS 123 CO 0.27 0.14 1.13 0.95 1.02 0.00 0.00 174.74 178.25 3a2w s THR 124 N -0.76 3.11 0.09 1.30 -4.23 -1.26 -4.71 115.64 109.19 3a2w s THR 124 Ca 0.12 0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 61.21 3a2w s THR 124 Cb -0.10 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.60 3a2w s THR 124 CO 0.01 -0.24 0.13 0.55 -0.54 0.00 0.00 174.62 174.54 3a2w n VAL 125 N -1.91 0.00 -3.10 2.29 3.14 0.77 -2.90 118.33 116.61 3a2w n VAL 125 Ca 0.11 -0.10 -0.45 0.00 -2.96 0.00 0.00 64.34 60.95 3a2w n VAL 125 Cb 0.51 -1.92 -0.01 0.00 -1.06 0.00 0.00 33.84 31.36 3a2w n VAL 125 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3a2w s ARG 126 N -3.25 3.81 0.30 1.45 0.52 -0.02 -3.98 118.95 117.78 3a2w s ARG 126 Ca 0.07 -2.37 0.04 0.00 -0.52 0.00 0.00 55.73 52.95 3a2w s ARG 126 Cb -0.00 -4.76 -0.03 0.00 0.52 0.00 0.00 34.95 30.68 3a2w s ARG 126 CO 0.05 -1.56 0.45 0.20 0.02 0.00 0.00 175.30 174.46 3a2w s GLY 127 N 2.68 1.33 -0.07 -3.53 0.00 -1.25 -0.17 107.32 106.31 3a2w s GLY 127 Ca 0.31 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 3a2w s GLY 127 CO -0.07 -1.14 0.15 0.14 0.00 0.00 0.00 173.10 172.18 3a2w s VAL 128 N -2.14 -0.05 -0.17 1.40 1.01 -0.03 -1.65 120.40 118.78 3a2w s VAL 128 Ca 0.38 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3a2w s VAL 128 Cb -0.09 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.08 3a2w s VAL 128 CO 0.32 0.07 -0.11 -0.36 0.00 0.00 0.00 175.10 175.02 3a2w s PHE 129 N 1.13 2.15 -0.27 5.22 0.40 0.75 -1.17 117.98 126.20 3a2w s PHE 129 Ca -0.09 -1.30 -0.16 0.00 -0.60 0.00 0.00 56.93 54.78 3a2w s PHE 129 Cb -0.11 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.83 3a2w s PHE 129 CO -0.06 -0.68 0.41 0.42 0.70 0.00 0.00 175.22 176.02 3a2w s ILE 130 N 1.49 5.15 -0.08 0.64 -1.09 -0.51 -1.54 121.20 125.25 3a2w s ILE 130 Ca 0.02 0.66 0.04 0.00 -2.23 0.00 0.00 60.65 59.14 3a2w s ILE 130 Cb -0.14 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 37.00 3a2w s ILE 130 CO -0.09 0.14 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.85 3a2w s VAL 131 N 2.12 1.83 0.97 2.92 1.01 -0.76 -0.26 120.40 128.25 3a2w s VAL 131 Ca 0.17 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 3a2w s VAL 131 Cb -0.16 -1.59 0.21 0.00 0.00 0.00 0.00 36.38 34.85 3a2w s VAL 131 CO 0.10 0.51 1.33 1.51 0.00 0.00 0.00 175.10 178.55 3a2w s ASP 132 N 0.27 2.98 0.00 3.32 1.47 -0.50 -1.53 116.67 122.68 3a2w s ASP 132 Ca -0.14 0.18 0.09 0.00 1.18 0.00 0.00 52.55 53.86 3a2w s ASP 132 Cb -0.16 -0.17 0.51 0.00 -0.34 0.00 0.00 42.92 42.76 3a2w s ASP 132 CO 0.06 -2.81 0.98 0.00 0.68 0.00 0.00 175.17 174.08 3a2w n ALA 133 N -3.79 2.09 0.64 2.11 0.00 -1.25 -0.99 120.51 119.31 3a2w n ALA 133 Ca 0.16 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.62 3a2w n ALA 133 Cb 0.59 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.75 1.83 -0.74 0.00 1.74 -1.26 -4.66 116.66 112.81 3a2w n ARG 134 Ca 0.06 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.44 3a2w n ARG 134 Cb 0.03 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.10 0.55 3.84 -0.13 0.00 -0.16 -4.98 105.19 105.40 3a2w n GLY 135 Ca 0.06 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 5.24 -0.04 1.61 1.01 -1.26 0.11 120.40 125.08 3a2w s VAL 136 Ca 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 3a2w s VAL 136 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3a2w s VAL 136 CO 0.00 0.57 1.16 -0.63 0.00 0.00 0.00 175.10 176.20 3a2w s ILE 137 N -0.84 4.32 -0.10 2.22 1.01 -0.19 -1.41 121.20 126.21 3a2w s ILE 137 Ca 0.19 1.64 0.12 0.00 0.00 0.00 0.00 60.65 62.61 3a2w s ILE 137 Cb -0.14 -4.06 -0.17 0.00 0.01 0.00 0.00 42.46 38.10 3a2w s ILE 137 CO 0.09 0.03 0.09 0.54 0.00 0.00 0.00 174.94 175.69 3a2w n ARG 138 N 4.89 1.65 -3.57 2.79 5.12 0.65 -1.27 116.66 126.92 3a2w n ARG 138 Ca 0.10 -0.03 -0.17 0.00 -1.93 0.00 0.00 57.85 55.83 3a2w n ARG 138 Cb 0.47 -1.32 -0.07 0.00 -1.16 0.00 0.00 32.46 30.38 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 -2.43 0.00 -0.03 0.55 2.01 -1.22 -4.92 115.64 109.61 3a2w s THR 139 Ca -0.06 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 61.92 3a2w s THR 139 Cb 0.05 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.62 3a2w s THR 139 CO 0.52 -0.02 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.38 3a2w s MET 140 N -0.75 0.40 -0.03 4.92 -1.94 -1.26 -1.43 119.30 119.21 3a2w s MET 140 Ca -0.08 0.03 0.06 0.00 -1.71 0.00 0.00 55.69 53.99 3a2w s MET 140 Cb -0.02 -0.53 -0.01 0.00 2.01 0.00 0.00 34.83 36.28 3a2w s MET 140 CO 0.07 -0.11 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.24 3a2w s LEU 141 N 0.91 2.03 -0.32 -0.03 1.43 -0.31 -4.97 118.68 117.42 3a2w s LEU 141 Ca -0.10 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 3a2w s LEU 141 Cb -0.13 -1.16 0.10 0.00 0.03 0.00 0.00 46.19 45.03 3a2w s LEU 141 CO -0.01 0.25 0.06 -0.31 0.23 0.00 0.00 176.35 176.57 3a2w s TYR 142 N -0.37 2.84 0.22 0.29 1.51 -1.26 -0.85 117.35 119.73 3a2w s TYR 142 Ca 0.04 -2.40 0.03 0.00 -1.01 0.00 0.00 57.07 53.73 3a2w s TYR 142 Cb -0.10 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.38 3a2w s TYR 142 CO 0.00 -0.91 0.36 0.71 -1.11 0.00 0.00 175.55 174.61 3a2w s TYR 143 N 1.23 3.47 0.83 2.71 1.51 0.76 -4.97 117.35 122.89 3a2w s TYR 143 Ca 0.09 0.11 -0.08 0.00 -1.01 0.00 0.00 57.07 56.19 3a2w s TYR 143 Cb -0.18 -1.68 0.16 0.00 -0.11 0.00 0.00 41.96 40.15 3a2w s TYR 143 CO -0.15 0.42 1.15 -1.25 -1.11 0.00 0.00 175.55 174.61 3a2w s PRO 144 N -3.68 1.20 0.15 -1.71 0.04 -1.26 -0.84 135.00 128.90 3a2w s PRO 144 Ca 0.35 -0.77 -0.14 0.00 0.04 0.00 0.00 61.00 60.48 3a2w s PRO 144 Cb -0.10 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.36 3a2w s PRO 144 CO 0.30 -1.90 1.67 0.52 0.04 0.00 0.00 177.00 177.63 3a2w h MET 145 N -1.05 0.74 0.00 4.56 2.86 -1.94 -3.16 114.93 116.94 3a2w h MET 145 Ca -0.40 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 3a2w h MET 145 Cb 1.25 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.81 3a2w h MET 145 CO 0.40 0.70 0.00 -0.85 1.06 0.00 0.00 176.91 178.22 3a2w n GLU 146 N -4.52 0.44 -4.01 1.72 0.00 -1.26 -4.74 120.64 108.27 3a2w n GLU 146 Ca 0.01 0.04 -0.29 0.00 0.00 0.00 0.00 57.16 56.92 3a2w n GLU 146 Cb 0.19 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 29.96 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 -2.48 1.55 0.32 -1.84 0.20 -1.19 -5.12 118.68 110.12 3a2w s LEU 147 Ca 0.27 -0.43 -0.27 0.00 0.69 0.00 0.00 54.13 54.39 3a2w s LEU 147 Cb 0.17 -1.08 -0.10 0.00 -0.43 0.00 0.00 46.19 44.76 3a2w s LEU 147 CO 0.38 -0.07 0.96 -0.83 -0.29 0.00 0.00 176.35 176.50 3a2w s GLY 148 N 1.52 2.85 0.92 7.98 0.00 -1.26 -4.45 107.32 114.87 3a2w s GLY 148 Ca 0.04 0.57 -0.11 0.00 0.00 0.00 0.00 44.72 45.22 3a2w s GLY 148 CO -0.10 1.04 1.09 0.50 0.00 0.00 0.00 173.10 175.64 3a2w s ARG 149 N -1.95 1.08 -0.81 2.90 0.52 -1.26 -4.99 118.95 114.44 3a2w s ARG 149 Ca 0.49 0.89 -0.10 0.00 -0.52 0.00 0.00 55.73 56.50 3a2w s ARG 149 Cb -0.21 -1.78 0.21 0.00 0.52 0.00 0.00 34.95 33.69 3a2w s ARG 149 CO 0.26 -2.38 0.71 -1.17 0.02 0.00 0.00 175.30 172.74 3a2w s LEU 150 N -6.33 6.23 0.40 2.53 2.96 -1.26 -4.94 118.68 118.27 3a2w s LEU 150 Ca 0.64 -2.90 0.15 0.00 -0.22 0.00 0.00 54.13 51.81 3a2w s LEU 150 Cb -0.19 -2.09 1.01 0.00 0.50 0.00 0.00 46.19 45.42 3a2w s LEU 150 CO 0.58 -0.46 1.86 0.58 -1.32 0.00 0.00 176.35 177.58 3a2w h VAL 151 N 4.76 0.72 0.00 1.68 2.07 -1.96 0.10 116.25 123.61 3a2w h VAL 151 Ca 0.09 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3a2w h VAL 151 Cb 0.99 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3a2w h VAL 151 CO 0.77 0.09 -0.05 0.44 0.02 0.00 0.00 177.57 178.84 3a2w h ASP 152 N 0.48 0.00 0.42 0.57 3.32 -1.92 -1.02 116.42 118.28 3a2w h ASP 152 Ca 0.46 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.37 3a2w h ASP 152 Cb 1.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3a2w h ASP 152 CO -0.19 0.05 -0.61 -0.08 -1.72 0.00 0.00 179.24 176.69 3a2w h GLU 153 N 0.00 0.18 -0.31 3.56 4.57 -1.33 -0.64 114.58 120.62 3a2w h GLU 153 Ca -0.00 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 3a2w h GLU 153 Cb 0.09 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 3a2w h GLU 153 CO 0.01 0.73 -0.12 0.82 -1.18 0.00 0.00 179.01 179.26 3a2w h ILE 154 N 0.13 1.23 -0.27 2.32 5.03 -1.18 -0.34 117.51 124.44 3a2w h ILE 154 Ca -0.01 -1.04 -0.06 0.00 -0.12 0.00 0.00 64.86 63.63 3a2w h ILE 154 Cb 1.10 1.14 -0.01 0.00 -3.03 0.00 0.00 36.82 36.02 3a2w h ILE 154 CO 0.09 0.34 -0.06 -0.07 -0.68 0.00 0.00 178.15 177.77 3a2w h LEU 155 N 0.49 0.52 -0.85 1.44 3.38 -1.00 -2.30 115.31 116.99 3a2w h LEU 155 Ca 0.09 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3a2w h LEU 155 Cb 0.51 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3a2w h LEU 155 CO 0.03 0.76 0.24 -0.09 0.09 0.00 0.00 178.44 179.47 3a2w h ARG 156 N 0.27 1.09 -0.12 1.13 2.43 -0.79 -2.07 114.38 116.31 3a2w h ARG 156 Ca 0.07 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3a2w h ARG 156 Cb 0.53 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3a2w h ARG 156 CO 0.03 0.92 0.07 0.82 -1.51 0.00 0.00 179.97 180.29 3a2w h ILE 157 N 1.05 1.08 -0.00 1.20 2.04 -0.97 -1.67 117.51 120.24 3a2w h ILE 157 Ca 0.23 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3a2w h ILE 157 Cb 0.27 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3a2w h ILE 157 CO -0.01 0.07 0.00 0.58 0.00 0.00 0.00 178.15 178.79 3a2w h VAL 158 N 0.12 1.09 -0.66 1.67 2.07 -1.22 -1.11 116.25 118.20 3a2w h VAL 158 Ca 0.04 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3a2w h VAL 158 Cb 0.05 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3a2w h VAL 158 CO -0.01 0.07 0.29 0.50 0.02 0.00 0.00 177.57 178.44 3a2w h LYS 159 N -0.11 0.96 -0.11 1.57 3.64 -1.38 -0.68 116.57 120.47 3a2w h LYS 159 Ca 0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3a2w h LYS 159 Cb 0.11 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3a2w h LYS 159 CO -0.00 0.78 0.07 0.00 -2.27 0.00 0.00 179.45 178.03 3a2w h ALA 160 N 1.13 0.13 -0.90 5.00 0.00 -1.24 0.24 119.26 123.63 3a2w h ALA 160 Ca 0.22 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.19 3a2w h ALA 160 Cb 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3a2w h ALA 160 CO -0.02 -0.37 0.58 -0.07 0.00 0.00 0.00 179.25 179.37 3a2w h LEU 161 N 0.13 0.88 -0.37 0.00 4.07 -0.93 0.13 115.31 119.22 3a2w h LEU 161 Ca 0.04 0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.83 3a2w h LEU 161 Cb -0.00 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 3a2w h LEU 161 CO -0.01 0.55 -0.52 0.11 -1.08 0.00 0.00 178.44 177.49 3a2w h LYS 162 N 0.99 0.80 0.25 1.13 1.57 -0.63 -2.69 116.57 118.00 3a2w h LYS 162 Ca 0.39 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3a2w h LYS 162 Cb 0.24 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3a2w h LYS 162 CO -0.15 1.13 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.66 3a2w h LEU 163 N 0.62 -0.29 -0.87 2.94 3.38 -0.12 -2.01 115.31 118.96 3a2w h LEU 163 Ca 0.02 -0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.12 3a2w h LEU 163 Cb 1.11 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 3a2w h LEU 163 CO 0.11 -0.10 0.35 1.23 0.09 0.00 0.00 178.44 180.13 3a2w h GLY 164 N -0.47 1.45 0.90 0.83 0.00 -0.76 0.27 103.07 105.28 3a2w h GLY 164 Ca -0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 3a2w h GLY 164 CO 0.06 -0.26 -0.22 -0.55 0.00 0.00 0.00 176.54 175.56 3a2w h ASP 165 N 0.37 0.62 -0.27 0.19 3.32 -1.31 0.22 116.42 119.56 3a2w h ASP 165 Ca 0.54 -0.46 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3a2w h ASP 165 Cb 1.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3a2w h ASP 165 CO -0.53 0.96 -0.06 0.77 -1.72 0.00 0.00 179.24 178.65 3a2w h SER 166 N 0.30 0.52 -0.05 6.45 4.64 -0.50 -3.15 113.55 121.76 3a2w h SER 166 Ca 0.04 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3a2w h SER 166 Cb 0.77 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3a2w h SER 166 CO 0.06 0.76 0.00 0.18 -0.87 0.00 0.00 176.83 176.96 3a2w n LEU 167 N -4.53 1.30 -3.68 5.97 4.32 0.83 -4.93 117.00 116.28 3a2w n LEU 167 Ca -0.03 -0.47 -0.22 0.00 -0.02 0.00 0.00 56.01 55.27 3a2w n LEU 167 Cb 0.30 -0.03 0.04 0.00 -1.62 0.00 0.00 43.42 42.12 3a2w n LEU 167 CO 0.40 0.23 -0.01 0.29 -1.22 0.00 0.00 177.39 177.08 3a2w n LYS 168 N 0.03 -5.37 -4.23 3.23 4.76 0.51 -4.98 118.16 112.10 3a2w n LYS 168 Ca 0.19 0.66 -0.14 0.00 -2.87 0.00 0.00 58.31 56.15 3a2w n LYS 168 Cb 0.31 -5.35 -0.10 0.00 -1.84 0.00 0.00 35.03 28.05 3a2w n LYS 168 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3a2w s ARG 169 N -5.98 1.01 0.03 1.97 1.81 0.35 -4.59 118.95 113.56 3a2w s ARG 169 Ca 0.11 -1.41 -0.00 0.00 -1.72 0.00 0.00 55.73 52.71 3a2w s ARG 169 Cb -0.05 -0.57 -0.04 0.00 -0.45 0.00 0.00 34.95 33.84 3a2w s ARG 169 CO 0.80 0.07 0.15 0.00 -0.68 0.00 0.00 175.30 175.64 3a2w s ALA 170 N -3.27 3.83 -0.23 2.13 0.00 0.10 -4.33 121.76 120.00 3a2w s ALA 170 Ca 0.15 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 3a2w s ALA 170 Cb 0.02 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3a2w s ALA 170 CO -0.00 0.77 0.10 0.08 0.00 0.00 0.00 175.76 176.71 3a2w s VAL 171 N -1.38 4.85 0.84 0.00 1.01 -1.26 -0.69 120.40 123.77 3a2w s VAL 171 Ca 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 3a2w s VAL 171 Cb -0.13 -3.24 0.10 0.00 0.00 0.00 0.00 36.38 33.11 3a2w s VAL 171 CO 0.22 0.37 1.09 -2.16 0.00 0.00 0.00 175.10 174.62 3a2w s PRO 172 N 1.07 1.69 0.26 2.72 0.04 -1.26 -4.94 135.00 134.57 3a2w s PRO 172 Ca 0.05 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 61.74 3a2w s PRO 172 Cb -0.14 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 3a2w s PRO 172 CO 0.04 -1.98 1.47 0.00 0.04 0.00 0.00 177.00 176.56 3a2w n ALA 173 N -3.72 1.56 -1.11 8.56 0.00 -1.26 -2.19 120.51 122.34 3a2w n ALA 173 Ca 0.08 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 3a2w n ALA 173 Cb 0.54 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 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 2.16 -4.85 -4.62 0.00 8.00 -1.26 -4.13 116.55 111.85 3a2w n ASP 174 Ca 0.11 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.29 3a2w n ASP 174 Cb 0.33 -2.68 0.01 0.00 -0.02 0.00 0.00 41.12 38.76 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 -2.43 1.22 0.07 1.24 -0.00 -0.93 -0.49 117.44 116.13 3a2w n TRP 175 Ca -0.04 0.55 -0.07 0.00 -0.00 0.00 0.00 57.50 57.94 3a2w n TRP 175 Cb 0.36 -2.24 0.10 0.00 -0.00 0.00 0.00 31.31 29.53 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 0.09 1.83 -2.28 5.87 -0.04 -1.26 -4.92 135.00 134.29 3a2w n PRO 176 Ca 0.09 -1.32 -0.25 0.00 -0.04 0.00 0.00 63.50 61.98 3a2w n PRO 176 Cb 0.39 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.09 4.76 -4.72 3.54 3.02 0.36 -3.35 115.26 118.77 3a2w n ASN 177 Ca 0.22 -3.71 -0.42 0.00 -0.03 0.00 0.00 54.58 50.65 3a2w n ASN 177 Cb 0.92 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 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 -3.57 7.01 0.45 6.41 3.84 -0.69 -4.88 114.94 123.51 3a2w s ASN 178 Ca 0.49 2.20 0.31 0.00 0.21 0.00 0.00 52.86 56.07 3a2w s ASN 178 Cb 0.40 -2.59 1.53 0.00 -0.55 0.00 0.00 41.25 40.04 3a2w s ASN 178 CO -0.08 -0.48 1.94 -0.33 -2.79 0.00 0.00 177.10 175.36 3a2w h GLU 179 N 6.10 0.00 0.00 0.43 3.07 -1.88 0.23 114.58 122.53 3a2w h GLU 179 Ca -0.43 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 57.99 3a2w h GLU 179 Cb 1.21 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.06 3a2w h GLU 179 CO 0.79 0.00 -2.43 -0.89 -1.40 0.00 0.00 179.01 175.08 3a2w n ILE 180 N -2.66 1.53 -0.40 3.13 5.41 -1.26 -4.77 119.36 120.34 3a2w n ILE 180 Ca -0.01 -0.37 0.02 0.00 1.00 0.00 0.00 62.75 63.39 3a2w n ILE 180 Cb 0.14 -1.87 0.02 0.00 -0.71 0.00 0.00 39.64 37.22 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 -4.22 0.94 0.00 1.39 -5.35 -1.23 -5.09 119.36 105.80 3a2w n ILE 181 Ca -0.52 -1.00 0.00 0.00 -0.27 0.00 0.00 62.75 60.96 3a2w n ILE 181 Cb 0.88 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 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 -0.55 2.55 1.38 3.28 0.00 0.82 -1.76 105.19 110.90 3a2w n GLY 182 Ca 0.02 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 5.90 2.92 -1.93 1.61 0.00 -1.21 -1.71 120.64 126.22 3a2w n GLU 183 Ca 0.00 -2.69 -0.33 0.00 0.00 0.00 0.00 57.16 54.14 3a2w n GLU 183 Cb 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 31.44 29.85 3a2w n GLU 183 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3a2w s GLY 184 N -0.99 2.20 -0.00 -1.84 0.00 -0.72 -4.82 107.32 101.15 3a2w s GLY 184 Ca 0.49 0.52 0.04 0.00 0.00 0.00 0.00 44.72 45.77 3a2w s GLY 184 CO 0.31 0.86 -0.12 1.08 0.00 0.00 0.00 173.10 175.24 3a2w s LEU 185 N -4.60 2.91 0.04 0.66 1.43 0.67 -4.61 118.68 115.19 3a2w s LEU 185 Ca 0.66 -0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 53.27 3a2w s LEU 185 Cb -0.19 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 3a2w s LEU 185 CO 0.38 0.30 0.83 -0.63 0.23 0.00 0.00 176.35 177.45 3a2w s ILE 186 N -0.90 4.73 -0.00 -0.59 1.01 0.13 -2.15 121.20 123.43 3a2w s ILE 186 Ca 0.15 1.76 -0.26 0.00 0.00 0.00 0.00 60.65 62.29 3a2w s ILE 186 Cb -0.11 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 3a2w s ILE 186 CO 0.05 0.32 0.82 -0.69 0.00 0.00 0.00 174.94 175.43 3a2w s VAL 187 N 0.17 4.86 -0.15 2.92 1.01 -0.47 0.03 120.40 128.77 3a2w s VAL 187 Ca 0.42 1.72 -0.37 0.00 0.00 0.00 0.00 61.98 63.74 3a2w s VAL 187 Cb -0.21 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 31.87 3a2w s VAL 187 CO 0.25 0.27 1.76 -2.65 0.00 0.00 0.00 175.10 174.72 3a2w n PRO 188 N 3.44 1.61 -1.64 2.72 -0.02 -1.26 -4.63 135.00 135.21 3a2w n PRO 188 Ca 0.01 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 3a2w n PRO 188 Cb 0.51 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.71 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 5.54 0.96 -2.26 0.52 -0.04 -1.26 -4.98 135.00 133.48 3a2w n PRO 189 Ca 0.24 0.37 -0.37 0.00 -0.04 0.00 0.00 63.50 63.70 3a2w n PRO 189 Cb 0.21 -2.25 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 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 -2.88 3.75 -0.05 0.54 0.02 -1.26 -4.95 135.00 130.16 3a2w s PRO 190 Ca 0.77 1.77 0.10 0.00 0.02 0.00 0.00 61.00 63.66 3a2w s PRO 190 Cb -0.41 -2.40 0.24 0.00 0.02 0.00 0.00 34.50 31.95 3a2w s PRO 190 CO 0.46 -0.56 1.18 0.25 -0.33 0.00 0.00 177.00 178.00 3a2w n THR 191 N -0.50 1.38 -3.88 0.99 -2.24 -1.26 -4.90 114.28 103.87 3a2w n THR 191 Ca 0.07 -1.38 -0.09 0.00 -2.27 0.00 0.00 64.05 60.39 3a2w n THR 191 Cb 0.48 0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.65 0.15 0.21 4.28 -4.23 -1.26 -5.05 115.64 108.09 3a2w s THR 192 Ca 0.20 -1.21 -0.09 0.00 -1.18 0.00 0.00 61.69 59.41 3a2w s THR 192 Cb 0.15 -1.30 0.17 0.00 1.34 0.00 0.00 72.50 72.85 3a2w s THR 192 CO 0.07 -0.67 1.86 -0.33 -0.54 0.00 0.00 174.62 175.01 3a2w h GLU 193 N 2.88 1.07 -0.29 3.99 5.08 -1.99 -1.64 114.58 123.68 3a2w h GLU 193 Ca -0.34 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 3a2w h GLU 193 Cb 1.19 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3a2w h GLU 193 CO 0.56 0.75 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.85 3a2w h ASP 194 N 1.09 0.53 -0.87 1.42 3.45 -1.99 -1.77 116.42 118.28 3a2w h ASP 194 Ca 0.29 -0.33 0.01 0.00 0.43 0.00 0.00 57.03 57.43 3a2w h ASP 194 Cb -0.06 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 38.52 3a2w h ASP 194 CO -0.06 0.74 0.58 1.56 -1.57 0.00 0.00 179.24 180.49 3a2w h GLN 195 N 0.32 1.14 -0.05 3.56 4.20 -1.94 -0.64 115.11 121.70 3a2w h GLN 195 Ca 0.08 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.74 3a2w h GLN 195 Cb 0.48 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3a2w h GLN 195 CO 0.02 0.75 -0.06 0.00 -0.67 0.00 0.00 178.83 178.87 3a2w h ALA 196 N 1.33 -0.02 -0.07 3.87 0.00 -1.11 -1.26 119.26 122.00 3a2w h ALA 196 Ca 0.32 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 3a2w h ALA 196 Cb -0.12 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a2w h ALA 196 CO -0.08 -0.54 -0.44 -0.09 0.00 0.00 0.00 179.25 178.11 3a2w h ARG 197 N -0.08 0.16 -0.36 0.00 9.65 -1.04 -2.68 114.38 120.03 3a2w h ARG 197 Ca 0.04 -0.08 -0.11 0.00 -1.10 0.00 0.00 59.98 58.74 3a2w h ARG 197 Cb 0.14 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3a2w h ARG 197 CO -0.10 0.57 -0.22 0.00 2.80 0.00 0.00 179.97 183.03 3a2w h ALA 198 N 1.42 0.94 -0.30 2.80 0.00 -0.78 -1.84 119.26 121.49 3a2w h ALA 198 Ca 0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 3a2w h ALA 198 Cb 0.84 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3a2w h ALA 198 CO 0.06 0.61 -0.39 -0.09 0.00 0.00 0.00 179.25 179.44 3a2w h ARG 199 N 0.62 0.80 0.00 0.00 2.43 -1.08 -2.66 114.38 114.50 3a2w h ARG 199 Ca 0.09 -0.46 -0.07 0.00 -0.81 0.00 0.00 59.98 58.73 3a2w h ARG 199 Cb 0.70 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3a2w h ARG 199 CO 0.05 1.09 -0.33 0.52 -1.51 0.00 0.00 179.97 179.79 3a2w h MET 200 N 0.57 0.00 -0.01 0.20 2.86 -1.40 -2.67 114.93 114.48 3a2w h MET 200 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3a2w h MET 200 Cb 0.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3a2w h MET 200 CO 0.09 0.33 -0.10 0.39 1.06 0.00 0.00 176.91 178.69 3a2w n GLU 201 N -3.70 1.00 -0.02 1.72 1.02 -0.70 -3.78 120.64 116.18 3a2w n GLU 201 Ca -0.01 -0.43 -0.06 0.00 -0.02 0.00 0.00 57.16 56.64 3a2w n GLU 201 Cb 0.43 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 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 -0.63 0.67 -1.85 1.62 3.41 -1.01 -4.92 113.62 110.91 3a2w n SER 202 Ca 0.16 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.95 3a2w n SER 202 Cb 0.29 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.53 0.51 0.18 5.00 0.00 -1.23 -4.79 105.19 106.39 3a2w n GLY 203 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 3a2w n GLY 203 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3a2w h GLN 204 N 0.00 0.00 0.00 1.61 4.15 -1.92 -3.46 115.11 115.49 3a2w h GLN 204 Ca -0.30 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.62 3a2w h GLN 204 Cb 1.04 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.61 3a2w h GLN 204 CO 0.40 0.42 -0.45 0.66 -1.93 0.00 0.00 178.83 177.93 3a2w n TYR 205 N -3.65 -0.31 -3.30 3.99 4.02 -1.26 -5.09 117.16 111.55 3a2w n TYR 205 Ca -0.01 -2.62 -0.38 0.00 -0.01 0.00 0.00 57.90 54.88 3a2w n TYR 205 Cb 0.52 0.13 -0.06 0.00 -0.02 0.00 0.00 39.34 39.91 3a2w n TYR 205 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3a2w s ARG 206 N -3.41 4.33 0.02 -0.72 0.52 -1.08 -4.94 118.95 113.67 3a2w s ARG 206 Ca 0.29 0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.97 3a2w s ARG 206 Cb 0.01 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 3a2w s ARG 206 CO 0.21 0.13 -0.07 0.00 0.02 0.00 0.00 175.30 175.59 3a2w n LEU 208 N 2.13 0.30 -3.78 0.00 4.32 0.38 -4.99 117.00 115.37 3a2w n LEU 208 Ca -0.18 0.14 -0.05 0.00 -0.02 0.00 0.00 56.01 55.89 3a2w n LEU 208 Cb 0.56 0.32 -0.02 0.00 -1.62 0.00 0.00 43.42 42.67 3a2w n LEU 208 CO 0.23 0.38 0.60 -0.62 -1.22 0.00 0.00 177.39 176.76 3a2w s ASP 209 N -5.56 -0.23 0.60 -1.43 -1.08 -1.23 -4.97 116.67 102.77 3a2w s ASP 209 Ca -0.08 -0.46 0.30 0.00 -0.52 0.00 0.00 52.55 51.79 3a2w s ASP 209 Cb 0.08 0.59 1.71 0.00 -1.46 0.00 0.00 42.92 43.83 3a2w s ASP 209 CO 0.83 -1.08 2.11 4.11 0.52 0.00 0.00 175.17 181.66 3a2w h TRP 210 N 2.00 0.00 -0.01 -5.34 5.08 -1.94 -0.48 115.95 115.26 3a2w h TRP 210 Ca -0.22 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.75 3a2w h TRP 210 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3a2w h TRP 210 CO 0.39 0.00 -0.31 -2.67 -1.28 0.00 0.00 178.44 174.57 3a2w n TRP 211 N -3.70 0.00 -3.67 0.12 4.27 -1.26 -4.50 117.44 108.71 3a2w n TRP 211 Ca 0.01 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.34 3a2w n TRP 211 Cb 0.31 -0.04 -0.12 0.00 -1.36 0.00 0.00 31.31 30.10 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 -2.40 2.19 0.14 -2.67 5.99 -0.19 -4.62 117.98 116.43 3a2w s PHE 212 Ca 0.23 -2.68 0.09 0.00 0.00 0.00 0.00 56.93 54.58 3a2w s PHE 212 Cb 0.19 -1.83 -0.04 0.00 0.00 0.00 0.00 43.02 41.34 3a2w s PHE 212 CO 0.51 -0.72 -0.22 0.00 -0.00 0.00 0.00 175.22 174.79 3a2w s TRP 214 N -1.51 0.09 0.15 0.00 -2.14 -0.00 -1.37 118.94 114.15 3a2w s TRP 214 Ca 0.13 -0.59 -0.03 0.00 2.66 0.00 0.00 56.10 58.27 3a2w s TRP 214 Cb -0.08 0.61 0.01 0.00 -3.10 0.00 0.00 33.47 30.91 3a2w s TRP 214 CO 0.06 -1.31 0.26 -0.40 -2.66 0.00 0.00 176.95 172.91 3a2w n ASP 215 N -0.84 -0.74 -3.34 -2.66 5.68 -0.91 -2.65 116.55 111.10 3a2w n ASP 215 Ca -0.05 -1.69 -0.26 0.00 -0.50 0.00 0.00 54.79 52.29 3a2w n ASP 215 Cb 0.60 1.28 -0.08 0.00 -1.14 0.00 0.00 41.12 41.78 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 -0.22 1.06 0.77 2.12 -2.24 -1.26 -0.24 114.28 114.27 3a2w n THR 216 Ca -0.02 -4.70 0.13 0.00 -2.27 0.00 0.00 64.05 57.20 3a2w n THR 216 Cb 0.23 -2.04 0.49 0.00 -2.10 0.00 0.00 70.33 66.91 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 1.13 0.16 -2.33 -0.78 -0.04 -1.26 -4.88 135.00 127.00 3a2w n PRO 217 Ca 0.26 0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 63.45 3a2w n PRO 217 Cb 0.46 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 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 -3.06 3.45 0.73 0.55 0.00 -1.26 -5.01 121.76 117.15 3a2w s ALA 218 Ca 0.12 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 3a2w s ALA 218 Cb 0.15 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.90 3a2w s ALA 218 CO 0.57 -0.36 1.07 -1.54 0.00 0.00 0.00 175.76 175.50 3a2w s SER 219 N -0.57 5.02 0.32 0.00 1.04 -1.26 -4.84 113.70 113.41 3a2w s SER 219 Ca 0.48 1.71 -0.00 0.00 0.48 0.00 0.00 55.95 58.62 3a2w s SER 219 Cb -0.35 -2.51 0.52 0.00 0.10 0.00 0.00 66.02 63.79 3a2w s SER 219 CO 0.44 -1.69 1.97 -0.09 0.98 0.00 0.00 173.24 174.85 3a2w h ARG 220 N -0.85 0.94 0.11 4.02 2.43 -1.98 -1.21 114.38 117.83 3a2w h ARG 220 Ca -0.44 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3a2w h ARG 220 Cb 1.22 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 3a2w h ARG 220 CO 0.54 0.65 -0.15 -0.44 -1.51 0.00 0.00 179.97 179.07 3a2w h ASP 221 N 0.96 -0.40 -0.55 -3.80 3.32 -1.98 0.28 116.42 114.24 3a2w h ASP 221 Ca 0.25 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.43 3a2w h ASP 221 Cb -0.06 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 3a2w h ASP 221 CO -0.05 -0.22 0.19 0.44 -1.72 0.00 0.00 179.24 177.88 3a2w h ASP 222 N -0.30 0.18 -0.39 6.45 3.32 -1.74 -0.25 116.42 123.69 3a2w h ASP 222 Ca 0.02 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3a2w h ASP 222 Cb 0.31 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3a2w h ASP 222 CO -0.07 0.12 0.04 0.58 -1.72 0.00 0.00 179.24 178.20 3a2w h VAL 223 N 0.37 1.25 -0.00 -1.35 2.07 -0.72 -2.55 116.25 115.32 3a2w h VAL 223 Ca 0.27 -0.92 -0.16 0.00 0.82 0.00 0.00 66.70 66.70 3a2w h VAL 223 Cb 0.31 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3a2w h VAL 223 CO -0.28 0.31 -0.76 -0.33 0.02 0.00 0.00 177.57 176.53 3a2w h GLU 224 N 0.51 0.04 -0.39 1.57 5.08 -0.17 -0.93 114.58 120.28 3a2w h GLU 224 Ca 0.12 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3a2w h GLU 224 Cb 0.41 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3a2w h GLU 224 CO 0.01 0.78 -0.17 0.93 -1.00 0.00 0.00 179.01 179.57 3a2w h GLU 225 N 0.02 0.80 -0.67 2.33 4.39 -1.05 0.38 114.58 120.78 3a2w h GLU 225 Ca -0.01 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.27 3a2w h GLU 225 Cb 1.35 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 3a2w h GLU 225 CO 0.10 0.97 0.11 0.00 -1.16 0.00 0.00 179.01 179.03 3a2w h ALA 226 N 0.81 0.92 -0.18 3.43 0.00 -1.39 -1.99 119.26 120.86 3a2w h ALA 226 Ca 0.09 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3a2w h ALA 226 Cb 0.72 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3a2w h ALA 226 CO 0.05 0.67 -0.40 -0.09 0.00 0.00 0.00 179.25 179.48 3a2w h ARG 227 N 1.03 0.42 -0.81 0.00 2.43 -0.91 -2.92 114.38 113.61 3a2w h ARG 227 Ca 0.20 -0.21 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3a2w h ARG 227 Cb 0.44 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 3a2w h ARG 227 CO 0.01 0.76 0.50 -0.09 -1.51 0.00 0.00 179.97 179.64 3a2w h ARG 228 N 0.35 0.89 -0.39 0.20 2.43 0.47 0.18 114.38 118.51 3a2w h ARG 228 Ca 0.03 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3a2w h ARG 228 Cb 0.86 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.16 3a2w h ARG 228 CO 0.07 0.59 0.05 1.88 -1.51 0.00 0.00 179.97 181.05 3a2w h TYR 229 N 0.92 0.07 -0.23 2.20 0.99 -1.22 0.16 116.97 119.85 3a2w h TYR 229 Ca 0.35 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.97 3a2w h TYR 229 Cb 0.15 0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.90 3a2w h TYR 229 CO -0.04 -0.02 -0.42 -0.07 -0.00 0.00 0.00 178.16 177.61 3a2w h LEU 230 N 0.16 0.58 -0.86 3.88 3.38 -1.42 -2.22 115.31 118.82 3a2w h LEU 230 Ca 0.19 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3a2w h LEU 230 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3a2w h LEU 230 CO -0.27 0.93 0.28 -0.09 0.09 0.00 0.00 178.44 179.38 3a2w h ARG 231 N 0.45 1.13 -0.42 1.13 2.43 -0.18 -2.09 114.38 116.82 3a2w h ARG 231 Ca 0.04 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 58.91 3a2w h ARG 231 Cb 0.92 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 3a2w h ARG 231 CO 0.08 0.92 -0.12 -0.09 -1.51 0.00 0.00 179.97 179.26 3a2w h ARG 232 N 1.09 0.76 0.00 0.20 2.43 -0.47 -2.62 114.38 115.77 3a2w h ARG 232 Ca 0.25 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3a2w h ARG 232 Cb 0.23 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3a2w h ARG 232 CO -0.02 0.85 -0.38 0.00 -1.51 0.00 0.00 179.97 178.91 3a2w h ALA 233 N 1.18 1.34 -0.01 2.80 0.00 -0.99 -2.90 119.26 120.68 3a2w h ALA 233 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3a2w h ALA 233 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3a2w h ALA 233 CO 0.04 0.47 -0.20 0.00 0.00 0.00 0.00 179.25 179.56 3a2w n ALA 234 N -2.45 2.95 -2.65 0.00 0.00 -0.82 -4.90 120.51 112.64 3a2w n ALA 234 Ca -0.02 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 3a2w n ALA 234 Cb 0.42 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 3a2w n ALA 234 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3a2w s GLU 235 N -2.29 4.20 0.01 0.00 2.12 -1.00 -5.03 118.70 116.71 3a2w s GLU 235 Ca 0.27 0.71 -0.30 0.00 0.36 0.00 0.00 54.97 56.02 3a2w s GLU 235 Cb 0.20 -3.60 -0.07 0.00 0.26 0.00 0.00 34.13 30.92 3a2w s GLU 235 CO 0.45 -0.32 1.59 0.21 -0.54 0.00 0.00 175.26 176.65 3a2w s LYS 236 N 2.18 4.21 0.32 4.30 2.20 -1.26 -4.93 119.74 126.76 3a2w s LYS 236 Ca 0.31 2.19 -0.28 0.00 -0.36 0.00 0.00 55.97 57.82 3a2w s LYS 236 Cb -0.16 -3.74 -0.13 0.00 -1.51 0.00 0.00 37.83 32.30 3a2w s LYS 236 CO 0.10 -0.74 1.19 -0.35 -0.36 0.00 0.00 175.35 175.19 3a2w n PRO 237 N 6.12 1.85 -0.04 4.03 -0.04 -1.26 -4.92 135.00 140.73 3a2w n PRO 237 Ca 0.16 0.65 -0.13 0.00 -0.04 0.00 0.00 63.50 64.13 3a2w n PRO 237 Cb 0.42 -2.15 -0.08 0.00 -0.04 0.00 0.00 33.50 31.65 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 2.35 0.16 -3.32 0.55 0.00 -2.04 -3.43 119.26 113.53 3a2w h ALA 238 Ca -0.44 -0.33 -0.50 0.00 0.00 0.00 0.00 54.91 53.64 3a2w h ALA 238 Cb 1.30 -0.03 -0.35 0.00 0.00 0.00 0.00 17.79 18.71 3a2w h ALA 238 CO 0.62 0.06 -0.80 0.21 0.00 0.00 0.00 179.25 179.33 3a2w s LYS 239 N -4.15 1.43 0.15 0.00 2.36 -1.26 -5.12 119.74 113.15 3a2w s LYS 239 Ca -0.14 -0.27 -0.30 0.00 -2.55 0.00 0.00 55.97 52.70 3a2w s LYS 239 Cb 0.04 -1.37 -0.07 0.00 -1.05 0.00 0.00 37.83 35.39 3a2w s LYS 239 CO 0.74 -0.13 0.98 -0.51 1.55 0.00 0.00 175.35 177.99 3a2w s LEU 240 N 1.19 4.53 0.54 5.43 1.43 -1.26 -4.95 118.68 125.59 3a2w s LEU 240 Ca -0.05 1.88 0.30 0.00 -1.03 0.00 0.00 54.13 55.24 3a2w s LEU 240 Cb -0.14 -3.60 1.52 0.00 0.03 0.00 0.00 46.19 44.00 3a2w s LEU 240 CO -0.02 -0.05 2.07 -0.07 0.23 0.00 0.00 176.35 178.52 3a2w h LEU 241 N 5.17 0.00 -1.26 1.79 3.38 -1.99 -2.51 115.31 119.89 3a2w h LEU 241 Ca -0.44 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 3a2w h LEU 241 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3a2w h LEU 241 CO 0.71 0.09 -0.29 0.10 0.09 0.00 0.00 178.44 179.15 3a2w h TYR 242 N 0.00 0.00 -0.18 1.13 -0.00 -1.95 -3.15 116.97 112.83 3a2w h TYR 242 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.78 3a2w h TYR 242 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.08 3a2w h TYR 242 CO 0.00 0.29 0.19 0.93 -0.00 0.00 0.00 178.16 179.57 3a2w h GLU 243 N 0.00 0.00 -1.19 0.10 5.08 -1.85 -2.75 114.58 113.98 3a2w h GLU 243 Ca -0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.92 3a2w h GLU 243 Cb 0.70 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.54 3a2w h GLU 243 CO 0.04 0.00 -1.03 -0.85 -1.00 0.00 0.00 179.01 176.17 3a2w n GLU 244 N -3.84 1.96 0.00 2.33 0.00 -1.19 -5.13 120.64 114.77 3a2w n GLU 244 Ca 0.01 -3.70 0.06 0.00 0.00 0.00 0.00 57.16 53.53 3a2w n GLU 244 Cb 0.31 -1.60 0.05 0.00 0.00 0.00 0.00 31.44 30.20 3a2w n GLU 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13