#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aut s ILE 17 N 0.00 4.99 -1.24 -0.08 -1.09 0.22 -3.76 121.20 120.24 1aut s ILE 17 Ca 0.00 0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.39 1aut s ILE 17 Cb 0.00 -3.16 0.03 0.00 -1.58 0.00 0.00 42.46 37.76 1aut s ILE 17 CO 0.00 0.60 0.30 -0.67 -1.23 0.00 0.00 174.94 173.94 1aut n ASP 18 N 2.22 -4.17 -4.86 3.58 2.03 -1.26 -2.85 116.55 111.24 1aut n ASP 18 Ca -0.19 -0.13 -0.31 0.00 0.52 0.00 0.00 54.79 54.67 1aut n ASP 18 Cb 0.54 -3.47 -0.04 0.00 -0.72 0.00 0.00 41.12 37.43 1aut n ASP 18 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1aut s GLY 19 N -2.43 2.08 0.17 0.27 0.00 -1.26 -4.76 107.32 101.39 1aut s GLY 19 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1aut s GLY 19 CO 0.27 0.16 0.34 0.54 0.00 0.00 0.00 173.10 174.41 1aut s LYS 20 N -3.65 3.49 0.22 2.90 1.02 0.06 -4.83 119.74 118.95 1aut s LYS 20 Ca 0.54 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.80 1aut s LYS 20 Cb -0.10 -2.89 -0.09 0.00 -0.52 0.00 0.00 37.83 34.23 1aut s LYS 20 CO 0.27 0.45 1.18 1.41 -0.92 0.00 0.00 175.35 177.74 1aut s MET 21 N -3.23 4.52 0.52 1.68 -2.45 -1.26 -0.10 119.30 118.98 1aut s MET 21 Ca 0.37 1.88 -0.01 0.00 -1.25 0.00 0.00 55.69 56.68 1aut s MET 21 Cb -0.11 -3.22 0.01 0.00 1.25 0.00 0.00 34.83 32.77 1aut s MET 21 CO 0.29 -0.01 0.76 0.99 1.05 0.00 0.00 175.02 178.10 1aut s THR 22 N -0.43 3.41 0.03 10.11 2.01 -0.27 -4.83 115.64 125.67 1aut s THR 22 Ca 0.50 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1aut s THR 22 Cb -0.33 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1aut s THR 22 CO 0.39 -0.23 -0.08 -0.60 -0.69 0.00 0.00 174.62 173.41 1aut s ARG 23 N -4.73 2.41 0.25 4.92 3.52 -1.26 -4.90 118.95 119.17 1aut s ARG 23 Ca 0.53 -0.82 -0.31 0.00 -0.13 0.00 0.00 55.73 55.00 1aut s ARG 23 Cb -0.10 -2.43 -0.12 0.00 -1.56 0.00 0.00 34.95 30.74 1aut s ARG 23 CO 0.40 0.57 1.57 -2.13 -0.81 0.00 0.00 175.30 174.90 1aut n ARG 24 N 1.36 2.51 0.00 5.12 0.63 -1.26 -2.05 116.66 122.97 1aut n ARG 24 Ca -0.15 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 1aut n ARG 24 Cb 0.52 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.77 1aut n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aut n GLY 25 N 2.58 2.48 0.36 5.14 0.00 -1.26 -4.96 105.19 109.54 1aut n GLY 25 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1aut n GLY 25 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aut h ASP 26 N 0.00 0.97 -2.27 1.61 5.19 -1.81 -3.34 116.42 116.76 1aut h ASP 26 Ca 0.00 -0.02 -0.58 0.00 -0.62 0.00 0.00 57.03 55.80 1aut h ASP 26 Cb 0.00 -0.24 -0.39 0.00 0.18 0.00 0.00 39.33 38.88 1aut h ASP 26 CO 0.00 0.70 -0.98 -1.54 -3.12 0.00 0.00 179.24 174.30 1aut n SER 27 N -4.41 0.17 0.00 6.45 3.41 -1.26 -4.98 113.62 112.99 1aut n SER 27 Ca 0.10 -2.59 0.03 0.00 -0.26 0.00 0.00 58.87 56.15 1aut n SER 27 Cb 0.03 -0.60 0.13 0.00 -0.26 0.00 0.00 64.21 63.51 1aut n SER 27 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1aut n PRO 28 N 2.19 0.04 -0.03 4.33 -0.04 -1.25 -1.85 135.00 138.39 1aut n PRO 28 Ca 0.26 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1aut n PRO 28 Cb 0.49 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.61 1aut n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1aut n TRP 29 N -1.38 0.07 -2.40 0.54 2.14 -1.08 -3.23 117.44 112.09 1aut n TRP 29 Ca 0.02 -0.03 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 1aut n TRP 29 Cb 0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.53 1aut n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1aut s GLN 30 N -1.93 4.32 0.05 -2.67 2.00 -0.77 0.00 119.66 120.66 1aut s GLN 30 Ca 0.31 1.73 0.06 0.00 -2.00 0.00 0.00 55.36 55.46 1aut s GLN 30 Cb 0.20 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 30.39 1aut s GLN 30 CO 0.31 -0.51 -0.14 0.08 -0.50 0.00 0.00 175.29 174.53 1aut s VAL 31 N 2.41 3.12 -0.13 1.34 1.01 -0.20 -4.35 120.40 123.60 1aut s VAL 31 Ca 0.57 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1aut s VAL 31 Cb -0.26 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 1aut s VAL 31 CO 0.22 0.29 -0.19 0.54 0.00 0.00 0.00 175.10 175.97 1aut s VAL 32 N -1.01 2.43 -0.45 2.92 0.11 -1.09 -0.62 120.40 122.68 1aut s VAL 32 Ca 0.17 -0.87 -0.17 0.00 -2.93 0.00 0.00 61.98 58.18 1aut s VAL 32 Cb -0.11 -1.99 0.04 0.00 -1.53 0.00 0.00 36.38 32.79 1aut s VAL 32 CO 0.08 0.54 0.47 -0.76 -3.33 0.00 0.00 175.10 172.09 1aut s LEU 33 N 0.62 5.02 0.04 2.54 1.43 -0.68 -2.17 118.68 125.48 1aut s LEU 33 Ca -0.10 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.10 1aut s LEU 33 Cb -0.16 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1aut s LEU 33 CO 0.03 -0.65 0.29 -0.76 0.23 0.00 0.00 176.35 175.48 1aut s LEU 34 N 2.14 4.35 0.00 1.79 2.01 -0.96 -0.60 118.68 127.42 1aut s LEU 34 Ca 0.11 0.56 0.00 0.00 0.01 0.00 0.00 54.13 54.82 1aut s LEU 34 Cb -0.19 -2.80 0.00 0.00 0.01 0.00 0.00 46.19 43.21 1aut s LEU 34 CO 0.12 0.21 0.00 -0.90 1.01 0.00 0.00 176.35 176.79 1aut n ASP 35 N 0.91 0.00 -0.17 2.29 5.68 -0.23 -1.14 116.55 123.90 1aut n ASP 35 Ca -0.09 -0.66 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 1aut n ASP 35 Cb 0.52 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.76 1aut n ASP 35 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1aut h SER 36 N 0.00 0.79 -0.14 -1.12 0.02 -1.89 -1.73 113.55 109.48 1aut h SER 36 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1aut h SER 36 Cb 0.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1aut h SER 36 CO 0.00 0.63 0.00 0.29 -1.14 0.00 0.00 176.83 176.61 1aut n LYS 37 N -4.39 1.49 -1.74 3.45 5.02 -1.26 -4.87 118.16 115.87 1aut n LYS 37 Ca 0.06 -0.57 -0.19 0.00 -2.02 0.00 0.00 58.31 55.60 1aut n LYS 37 Cb 0.09 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 1aut n LYS 37 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1aut n LYS 38 N -0.00 -1.37 -4.00 1.97 4.76 -0.65 -4.99 118.16 113.87 1aut n LYS 38 Ca 0.05 1.12 -0.26 0.00 -2.87 0.00 0.00 58.31 56.35 1aut n LYS 38 Cb 0.23 -5.48 -0.04 0.00 -1.84 0.00 0.00 35.03 27.90 1aut n LYS 38 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1aut s LYS 39 N -3.92 3.22 0.08 1.97 -2.85 -1.26 -4.79 119.74 112.18 1aut s LYS 39 Ca 0.00 -0.71 -0.31 0.00 -1.00 0.00 0.00 55.97 53.95 1aut s LYS 39 Cb 0.00 -2.83 -0.07 0.00 -2.06 0.00 0.00 37.83 32.87 1aut s LYS 39 CO 0.00 0.50 1.37 -1.17 0.10 0.00 0.00 175.35 176.15 1aut s LEU 40 N -3.20 4.36 -0.26 2.77 0.20 -1.26 -1.06 118.68 120.23 1aut s LEU 40 Ca 0.33 2.23 -0.01 0.00 0.69 0.00 0.00 54.13 57.37 1aut s LEU 40 Cb -0.11 -3.58 -0.16 0.00 -0.43 0.00 0.00 46.19 41.92 1aut s LEU 40 CO 0.26 -0.65 -0.25 0.00 -0.29 0.00 0.00 176.35 175.43 1aut n ALA 41 N 4.34 1.41 -3.32 5.97 0.00 0.23 -4.92 120.51 124.22 1aut n ALA 41 Ca 0.12 -1.09 0.01 0.00 0.00 0.00 0.00 53.44 52.47 1aut n ALA 41 Cb 0.43 -0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.85 1aut n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aut n GLY 43 N -0.23 3.29 3.85 0.00 0.00 0.26 -1.68 105.19 110.67 1aut n GLY 43 Ca -0.02 -2.20 0.01 0.00 0.00 0.00 0.00 46.02 43.80 1aut n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aut s ALA 44 N -2.12 -2.21 -0.05 4.61 0.00 0.20 -4.35 121.76 117.84 1aut s ALA 44 Ca 0.04 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 1aut s ALA 44 Cb -0.00 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.85 1aut s ALA 44 CO 0.02 -1.10 0.10 0.54 0.00 0.00 0.00 175.76 175.32 1aut s VAL 45 N -2.22 -0.05 -0.60 0.00 0.11 -0.63 -1.03 120.40 115.98 1aut s VAL 45 Ca 0.23 0.18 -0.28 0.00 -2.93 0.00 0.00 61.98 59.18 1aut s VAL 45 Cb 0.01 -0.18 0.03 0.00 -1.53 0.00 0.00 36.38 34.71 1aut s VAL 45 CO -0.00 0.08 1.19 -0.22 -3.33 0.00 0.00 175.10 172.81 1aut s LEU 46 N 1.07 3.45 0.00 2.54 2.96 0.10 -1.27 118.68 127.53 1aut s LEU 46 Ca -0.09 0.01 0.19 0.00 -0.22 0.00 0.00 54.13 54.03 1aut s LEU 46 Cb -0.11 -3.07 0.10 0.00 0.50 0.00 0.00 46.19 43.60 1aut s LEU 46 CO -0.05 -1.51 1.06 2.30 -1.32 0.00 0.00 176.35 176.83 1aut n ILE 47 N 6.61 0.00 -3.56 6.68 -5.35 -1.03 -1.11 119.36 121.60 1aut n ILE 47 Ca 0.07 -0.43 -0.11 0.00 -0.27 0.00 0.00 62.75 62.01 1aut n ILE 47 Cb 0.49 1.34 -0.05 0.00 -1.74 0.00 0.00 39.64 39.68 1aut n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1aut s HIS 48 N -1.79 -0.40 0.56 4.28 5.04 -1.08 -4.81 115.29 117.09 1aut s HIS 48 Ca 0.20 0.65 0.32 0.00 -1.54 0.00 0.00 55.06 54.69 1aut s HIS 48 Cb 0.16 0.45 1.46 0.00 0.04 0.00 0.00 32.58 34.69 1aut s HIS 48 CO 0.32 -0.40 1.81 -1.35 -2.34 0.00 0.00 174.74 172.78 1aut h PRO 49 N 2.55 0.00 0.00 2.88 0.11 -1.93 -2.04 132.00 133.57 1aut h PRO 49 Ca -0.20 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.87 1aut h PRO 49 Cb 1.17 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 1aut h PRO 49 CO 0.32 0.00 -0.52 -1.13 -0.21 0.00 0.00 178.00 176.46 1aut n SER 50 N -3.96 1.23 -3.69 -2.05 3.41 -1.26 0.97 113.62 108.27 1aut n SER 50 Ca 0.18 -2.72 -0.19 0.00 -0.26 0.00 0.00 58.87 55.88 1aut n SER 50 Cb 1.03 -0.36 -0.18 0.00 -0.26 0.00 0.00 64.21 64.44 1aut n SER 50 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1aut s TRP 51 N -1.47 0.05 0.22 7.33 0.52 -0.77 -1.05 118.94 123.78 1aut s TRP 51 Ca 0.26 0.25 0.10 0.00 0.02 0.00 0.00 56.10 56.73 1aut s TRP 51 Cb 0.26 -0.43 -0.04 0.00 -1.15 0.00 0.00 33.47 32.10 1aut s TRP 51 CO -0.05 -0.17 -0.14 0.08 0.02 0.00 0.00 176.95 176.68 1aut s VAL 52 N 1.97 2.86 0.02 4.03 1.01 0.15 -2.46 120.40 127.98 1aut s VAL 52 Ca 0.02 -1.96 0.08 0.00 0.00 0.00 0.00 61.98 60.12 1aut s VAL 52 Cb -0.12 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1aut s VAL 52 CO -0.03 -0.21 -0.23 -0.22 0.00 0.00 0.00 175.10 174.41 1aut s LEU 53 N -3.06 2.12 0.31 3.92 2.96 -0.40 -0.79 118.68 123.73 1aut s LEU 53 Ca 0.26 -0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 53.53 1aut s LEU 53 Cb -0.07 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.51 1aut s LEU 53 CO 0.14 0.23 0.63 0.28 -1.32 0.00 0.00 176.35 176.32 1aut s THR 54 N -0.69 0.00 0.19 3.68 -1.32 0.06 -1.60 115.64 115.96 1aut s THR 54 Ca 0.09 -1.21 -0.30 0.00 -1.21 0.00 0.00 61.69 59.06 1aut s THR 54 Cb -0.09 -2.38 -0.08 0.00 -1.51 0.00 0.00 72.50 68.44 1aut s THR 54 CO 0.01 0.00 1.16 0.00 -2.21 0.00 0.00 174.62 173.57 1aut s ALA 55 N -3.41 3.41 0.37 11.08 0.00 -1.26 0.07 121.76 132.02 1aut s ALA 55 Ca 0.18 0.90 0.09 0.00 0.00 0.00 0.00 51.96 53.14 1aut s ALA 55 Cb -0.03 -3.39 0.84 0.00 0.00 0.00 0.00 23.12 20.54 1aut s ALA 55 CO 0.11 -0.30 1.91 0.00 0.00 0.00 0.00 175.76 177.47 1aut h ALA 56 N 5.04 1.85 0.00 0.00 0.00 -1.74 -1.07 119.26 123.35 1aut h ALA 56 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1aut h ALA 56 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1aut h ALA 56 CO 0.73 -0.05 0.00 -2.39 0.00 0.00 0.00 179.25 177.54 1aut n HIS 57 N -4.52 0.00 0.81 0.00 1.44 -1.26 -1.66 115.22 110.03 1aut n HIS 57 Ca 0.15 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.99 1aut n HIS 57 Cb 0.41 -0.40 0.39 0.00 0.12 0.00 0.00 29.99 30.51 1aut n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1aut h MET 59 N 0.00 0.57 0.00 0.00 2.86 -1.44 -2.90 114.93 114.03 1aut h MET 59 Ca 0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1aut h MET 59 Cb 0.61 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1aut h MET 59 CO 0.00 0.69 -0.55 -3.47 1.06 0.00 0.00 176.91 174.64 1aut n ASP 60 N -4.18 0.61 -0.30 1.22 2.03 -1.24 -4.18 116.55 110.50 1aut n ASP 60 Ca 0.01 0.04 0.20 0.00 0.52 0.00 0.00 54.79 55.56 1aut n ASP 60 Cb 0.34 0.14 0.48 0.00 -0.72 0.00 0.00 41.12 41.36 1aut n ASP 60 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1aut h GLU 60 N 0.00 0.45 -3.14 -0.67 4.57 -1.63 -3.43 114.58 110.73 1aut h GLU 60 Ca 0.00 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 1aut h GLU 60 Cb 0.67 -0.10 -0.14 0.00 -0.16 0.00 0.00 28.75 29.01 1aut h GLU 60 CO 0.00 0.30 -0.03 -1.54 -1.18 0.00 0.00 179.01 176.56 1aut s SER 61 N -5.40 -0.33 0.08 1.04 1.04 -1.26 -5.07 113.70 103.81 1aut s SER 61 Ca -0.09 -0.11 -0.21 0.00 0.48 0.00 0.00 55.95 56.02 1aut s SER 61 Cb 0.24 0.48 -0.12 0.00 0.10 0.00 0.00 66.02 66.73 1aut s SER 61 CO 0.79 -0.80 1.63 0.11 0.98 0.00 0.00 173.24 175.95 1aut h LYS 62 N 2.56 0.19 -4.76 4.02 1.57 -1.87 -3.43 116.57 114.84 1aut h LYS 62 Ca -0.33 -0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.88 1aut h LYS 62 Cb 1.24 -0.03 -0.33 0.00 0.08 0.00 0.00 32.23 33.19 1aut h LYS 62 CO 0.44 0.27 -0.82 0.15 -0.57 0.00 0.00 179.45 178.92 1aut s LYS 63 N -5.60 1.84 -0.01 3.15 1.02 -1.26 -5.11 119.74 113.77 1aut s LYS 63 Ca -0.14 -0.49 0.08 0.00 0.02 0.00 0.00 55.97 55.44 1aut s LYS 63 Cb 0.06 -1.51 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 1aut s LYS 63 CO 0.69 0.08 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.44 1aut s LEU 64 N 0.51 2.13 0.15 3.17 1.43 -1.26 -4.06 118.68 120.75 1aut s LEU 64 Ca -0.13 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 1aut s LEU 64 Cb -0.15 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1aut s LEU 64 CO 0.04 0.31 -0.01 -0.22 0.23 0.00 0.00 176.35 176.71 1aut s LEU 65 N -0.72 3.33 -0.09 1.79 2.96 -0.29 -4.52 118.68 121.14 1aut s LEU 65 Ca 0.10 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1aut s LEU 65 Cb -0.10 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1aut s LEU 65 CO -0.00 0.11 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.39 1aut s VAL 66 N -1.60 3.81 -0.21 1.68 1.01 -0.48 -2.25 120.40 122.35 1aut s VAL 66 Ca 0.27 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1aut s VAL 66 Cb -0.10 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1aut s VAL 66 CO 0.18 0.58 -0.01 -0.60 0.00 0.00 0.00 175.10 175.25 1aut s ARG 67 N -0.60 1.17 0.09 2.72 6.06 -0.92 -0.17 118.95 127.29 1aut s ARG 67 Ca 0.09 -0.72 -0.05 0.00 -2.50 0.00 0.00 55.73 52.55 1aut s ARG 67 Cb -0.12 -2.36 -0.05 0.00 0.06 0.00 0.00 34.95 32.48 1aut s ARG 67 CO 0.02 -0.62 0.33 -0.51 -2.50 0.00 0.00 175.30 172.02 1aut s LEU 68 N 1.61 4.32 0.00 -0.88 1.43 0.29 -2.66 118.68 122.79 1aut s LEU 68 Ca -0.04 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1aut s LEU 68 Cb -0.18 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1aut s LEU 68 CO -0.07 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1aut n GLY 69 N 0.50 0.77 3.77 -3.19 0.00 -1.26 -1.31 105.19 104.47 1aut n GLY 69 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1aut n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aut s GLU 70 N -0.47 4.18 0.09 1.61 0.41 -1.26 -4.71 118.70 118.56 1aut s GLU 70 Ca 0.00 2.13 0.00 0.00 -0.41 0.00 0.00 54.97 56.69 1aut s GLU 70 Cb 0.00 -2.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1aut s GLU 70 CO 0.00 -0.30 0.00 0.98 -0.49 0.00 0.00 175.26 175.45 1aut n TYR 71 N 0.47 -0.70 -3.88 1.61 9.36 -1.26 -4.95 117.16 117.80 1aut n TYR 71 Ca 0.02 0.12 -0.35 0.00 3.32 0.00 0.00 57.90 61.01 1aut n TYR 71 Cb 0.43 0.40 -0.14 0.00 -0.63 0.00 0.00 39.34 39.40 1aut n TYR 71 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1aut s ASP 72 N -5.09 4.50 0.32 2.98 -1.08 -1.26 -1.65 116.67 115.40 1aut s ASP 72 Ca 0.00 -0.59 0.08 0.00 -0.52 0.00 0.00 52.55 51.52 1aut s ASP 72 Cb 0.00 -1.75 0.55 0.00 -1.46 0.00 0.00 42.92 40.25 1aut s ASP 72 CO 0.00 -0.09 1.75 -0.07 0.52 0.00 0.00 175.17 177.29 1aut h LEU 73 N 8.12 0.20 0.00 -1.34 4.07 -0.47 -3.02 115.31 122.87 1aut h LEU 73 Ca -0.37 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1aut h LEU 73 Cb 1.14 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1aut h LEU 73 CO 0.60 0.56 0.00 0.54 -1.08 0.00 0.00 178.44 179.05 1aut n ARG 74 N -4.07 0.70 -3.91 1.13 1.74 -1.26 -4.80 116.66 106.20 1aut n ARG 74 Ca -0.01 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1aut n ARG 74 Cb 0.44 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 1aut n ARG 74 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1aut s ARG 75 N -2.21 0.10 -0.34 5.56 3.52 -1.14 -5.11 118.95 119.32 1aut s ARG 75 Ca 0.36 0.01 -0.18 0.00 -0.13 0.00 0.00 55.73 55.79 1aut s ARG 75 Cb 0.19 -0.17 -0.00 0.00 -1.56 0.00 0.00 34.95 33.41 1aut s ARG 75 CO 0.36 -0.03 0.52 -0.46 -0.81 0.00 0.00 175.30 174.88 1aut s TRP 76 N 0.29 3.18 0.15 5.12 -0.00 -1.26 -4.73 118.94 121.69 1aut s TRP 76 Ca -0.02 0.22 0.05 0.00 -0.00 0.00 0.00 56.10 56.34 1aut s TRP 76 Cb -0.04 -2.92 -0.04 0.00 -0.00 0.00 0.00 33.47 30.47 1aut s TRP 76 CO -0.01 -0.53 0.12 -1.21 -0.00 0.00 0.00 176.95 175.32 1aut s GLU 77 N 2.40 2.85 0.66 5.86 2.02 -1.26 -5.03 118.70 126.20 1aut s GLU 77 Ca 0.19 -0.87 0.43 0.00 0.02 0.00 0.00 54.97 54.74 1aut s GLU 77 Cb -0.15 -2.63 2.33 0.00 0.10 0.00 0.00 34.13 33.78 1aut s GLU 77 CO 0.13 0.49 2.35 0.87 0.02 0.00 0.00 175.26 179.12 1aut h LYS 78 N 2.55 0.00 -0.30 1.61 1.79 -2.01 -2.77 116.57 117.44 1aut h LYS 78 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1aut h LYS 78 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1aut h LYS 78 CO 0.63 0.00 0.00 -2.67 -1.08 0.00 0.00 179.45 176.33 1aut n TRP 79 N -3.15 0.40 -2.87 -1.35 2.14 -1.26 -4.89 117.44 106.46 1aut n TRP 79 Ca -0.03 -0.20 -0.41 0.00 2.07 0.00 0.00 57.50 58.93 1aut n TRP 79 Cb 0.08 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.55 1aut n TRP 79 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1aut s GLU 80 N -1.60 4.31 -0.29 -2.67 2.02 -1.05 -4.64 118.70 114.78 1aut s GLU 80 Ca 0.30 1.05 -0.06 0.00 0.02 0.00 0.00 54.97 56.28 1aut s GLU 80 Cb 0.16 -3.57 0.01 0.00 0.10 0.00 0.00 34.13 30.84 1aut s GLU 80 CO 0.23 -0.32 0.07 -1.17 0.02 0.00 0.00 175.26 174.08 1aut s LEU 81 N 2.12 3.80 -0.24 1.80 2.96 -0.43 -4.96 118.68 123.73 1aut s LEU 81 Ca 0.39 -0.75 -0.16 0.00 -0.22 0.00 0.00 54.13 53.39 1aut s LEU 81 Cb -0.17 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1aut s LEU 81 CO 0.13 -0.19 0.42 -1.81 -1.32 0.00 0.00 176.35 173.57 1aut s ASP 82 N 1.47 6.36 0.18 3.68 1.11 -1.26 -0.55 116.67 127.66 1aut s ASP 82 Ca 0.02 0.42 0.09 0.00 0.18 0.00 0.00 52.55 53.26 1aut s ASP 82 Cb -0.17 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 1aut s ASP 82 CO 0.02 -0.17 -0.12 -0.76 1.18 0.00 0.00 175.17 175.31 1aut s LEU 83 N 1.88 2.89 -0.23 1.23 1.43 0.77 -4.96 118.68 121.68 1aut s LEU 83 Ca 0.18 -0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1aut s LEU 83 Cb -0.15 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1aut s LEU 83 CO 0.09 0.11 0.07 -0.62 0.23 0.00 0.00 176.35 176.23 1aut s ASP 84 N -2.75 5.30 -0.16 2.29 2.15 -1.26 -1.38 116.67 120.85 1aut s ASP 84 Ca 0.24 -0.12 -0.29 0.00 0.43 0.00 0.00 52.55 52.81 1aut s ASP 84 Cb -0.09 -1.94 -0.04 0.00 -0.30 0.00 0.00 42.92 40.56 1aut s ASP 84 CO 0.14 0.03 1.69 -0.63 -0.17 0.00 0.00 175.17 176.23 1aut s ILE 85 N 1.22 3.58 -0.06 4.11 1.01 -1.26 -0.01 121.20 129.79 1aut s ILE 85 Ca 0.05 0.67 -0.10 0.00 0.00 0.00 0.00 60.65 61.26 1aut s ILE 85 Cb -0.14 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 1aut s ILE 85 CO 0.03 -0.19 0.42 0.50 0.00 0.00 0.00 174.94 175.70 1aut h LYS 86 N 10.68 -0.34 -5.18 2.79 3.64 -1.24 -3.45 116.57 123.47 1aut h LYS 86 Ca -0.37 0.02 -0.44 0.00 -1.27 0.00 0.00 60.65 58.60 1aut h LYS 86 Cb 1.17 0.08 -0.26 0.00 -0.41 0.00 0.00 32.23 32.81 1aut h LYS 86 CO 0.98 -0.22 -0.79 -1.21 -2.27 0.00 0.00 179.45 175.94 1aut s GLU 87 N -2.71 0.93 0.05 1.90 2.02 -1.04 -5.01 118.70 114.84 1aut s GLU 87 Ca -0.05 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.35 1aut s GLU 87 Cb 0.01 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.29 1aut s GLU 87 CO 0.16 0.23 -0.05 0.08 0.02 0.00 0.00 175.26 175.71 1aut s VAL 88 N -0.65 3.75 -0.39 2.63 1.01 -1.26 -0.52 120.40 124.97 1aut s VAL 88 Ca 0.02 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1aut s VAL 88 Cb -0.07 -2.71 0.14 0.00 0.00 0.00 0.00 36.38 33.75 1aut s VAL 88 CO 0.01 0.26 0.25 -0.36 0.00 0.00 0.00 175.10 175.25 1aut s PHE 89 N -1.14 1.19 0.06 5.22 0.08 0.35 -4.98 117.98 118.77 1aut s PHE 89 Ca 0.21 -1.99 -0.27 0.00 0.12 0.00 0.00 56.93 54.99 1aut s PHE 89 Cb -0.11 -1.22 -0.05 0.00 -0.57 0.00 0.00 43.02 41.07 1aut s PHE 89 CO 0.12 -0.81 0.86 0.14 -0.10 0.00 0.00 175.22 175.43 1aut s VAL 90 N 0.64 4.66 -0.25 -0.44 -7.23 -1.26 -0.15 120.40 116.37 1aut s VAL 90 Ca 0.21 1.84 -0.42 0.00 -1.81 0.00 0.00 61.98 61.80 1aut s VAL 90 Cb -0.18 -4.22 -0.18 0.00 0.56 0.00 0.00 36.38 32.36 1aut s VAL 90 CO -0.03 0.32 1.50 1.57 -0.31 0.00 0.00 175.10 178.15 1aut n HIS 91 N 2.93 1.59 0.33 2.82 -0.00 0.45 -4.82 115.22 118.52 1aut n HIS 91 Ca 0.00 0.87 0.15 0.00 0.46 0.00 0.00 57.72 59.21 1aut n HIS 91 Cb 0.50 -2.29 0.82 0.00 -0.12 0.00 0.00 29.99 28.90 1aut n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1aut h PRO 92 N 5.21 0.00 -0.34 1.57 0.13 -1.92 -0.73 132.00 135.92 1aut h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1aut h PRO 92 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1aut h PRO 92 CO 0.88 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.74 1aut n ASN 93 N -2.85 3.75 -4.76 1.44 5.03 -1.26 -5.01 115.26 111.60 1aut n ASN 93 Ca -0.02 -2.64 -0.41 0.00 0.87 0.00 0.00 54.58 52.38 1aut n ASN 93 Cb 0.36 -0.46 -0.02 0.00 -1.02 0.00 0.00 39.78 38.64 1aut n ASN 93 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1aut s TYR 94 N -2.16 3.01 -0.17 3.10 5.04 -0.28 -4.66 117.35 121.23 1aut s TYR 94 Ca 0.38 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 56.22 1aut s TYR 94 Cb 0.27 -3.77 0.01 0.00 0.35 0.00 0.00 41.96 38.83 1aut s TYR 94 CO 0.13 -2.32 -0.19 0.45 -1.34 0.00 0.00 175.55 172.27 1aut s SER 95 N -0.02 3.24 0.47 4.32 0.15 -0.41 -4.97 113.70 116.49 1aut s SER 95 Ca 0.54 -0.61 0.28 0.00 0.70 0.00 0.00 55.95 56.87 1aut s SER 95 Cb -0.41 -1.49 0.90 0.00 -1.71 0.00 0.00 66.02 63.31 1aut s SER 95 CO 0.48 0.03 1.81 0.50 1.20 0.00 0.00 173.24 177.26 1aut h LYS 96 N 7.71 0.00 0.08 5.44 3.64 -1.94 0.61 116.57 132.11 1aut h LYS 96 Ca -0.40 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.73 1aut h LYS 96 Cb 1.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1aut h LYS 96 CO 0.61 0.00 -1.12 0.66 -2.27 0.00 0.00 179.45 177.33 1aut h SER 97 N 0.00 0.37 -0.00 4.20 4.64 -1.97 -3.36 113.55 117.43 1aut h SER 97 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1aut h SER 97 Cb 0.71 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1aut h SER 97 CO 0.00 1.25 -0.08 0.35 -0.87 0.00 0.00 176.83 177.48 1aut n THR 98 N -3.57 0.00 -2.94 2.95 -2.24 -1.20 -5.00 114.28 102.29 1aut n THR 98 Ca -0.07 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 1aut n THR 98 Cb 0.95 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 70.24 1aut n THR 98 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1aut n THR 99 N -0.66 -1.79 -3.29 4.28 -1.04 0.21 -4.96 114.28 107.03 1aut n THR 99 Ca 0.01 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.70 1aut n THR 99 Cb 0.05 -3.20 -0.06 0.00 -1.82 0.00 0.00 70.33 65.31 1aut n THR 99 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1aut s ASP 100 N -2.76 6.68 -1.37 8.00 2.15 -1.12 -4.02 116.67 124.23 1aut s ASP 100 Ca 0.27 1.06 -0.03 0.00 0.43 0.00 0.00 52.55 54.28 1aut s ASP 100 Cb -0.12 -2.28 0.02 0.00 -0.30 0.00 0.00 42.92 40.24 1aut s ASP 100 CO 0.34 -0.13 0.71 0.59 -0.17 0.00 0.00 175.17 176.51 1aut n ASN 101 N -0.27 -1.76 -3.50 -0.34 3.02 -1.26 -1.29 115.26 109.86 1aut n ASN 101 Ca 0.02 -0.84 -0.38 0.00 -0.03 0.00 0.00 54.58 53.35 1aut n ASN 101 Cb 0.53 -3.87 -0.02 0.00 -0.61 0.00 0.00 39.78 35.81 1aut n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1aut n ASP 102 N -3.00 4.77 -3.72 6.41 2.03 -1.26 -4.22 116.55 117.56 1aut n ASP 102 Ca -0.23 -2.64 -0.15 0.00 0.52 0.00 0.00 54.79 52.29 1aut n ASP 102 Cb 0.65 -1.39 -0.15 0.00 -0.72 0.00 0.00 41.12 39.52 1aut n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1aut s ILE 103 N 3.49 -0.13 -0.01 5.18 2.07 -1.26 -3.11 121.20 127.43 1aut s ILE 103 Ca 0.53 0.24 0.08 0.00 -1.41 0.00 0.00 60.65 60.09 1aut s ILE 103 Cb 0.14 -0.27 -0.02 0.00 0.13 0.00 0.00 42.46 42.44 1aut s ILE 103 CO -0.02 0.10 -0.26 0.00 -1.91 0.00 0.00 174.94 172.86 1aut s ALA 104 N 1.60 2.20 -0.25 1.50 0.00 0.11 -0.41 121.76 126.51 1aut s ALA 104 Ca -0.05 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 1aut s ALA 104 Cb -0.12 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1aut s ALA 104 CO -0.06 0.53 -0.07 -1.17 0.00 0.00 0.00 175.76 174.99 1aut s LEU 105 N -0.76 3.23 -0.16 0.00 2.96 0.79 -0.76 118.68 123.98 1aut s LEU 105 Ca 0.10 -0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 1aut s LEU 105 Cb -0.10 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1aut s LEU 105 CO -0.00 -0.14 0.22 -0.76 -1.32 0.00 0.00 176.35 174.34 1aut s LEU 106 N 1.29 4.27 -0.47 -0.68 1.43 0.03 -0.49 118.68 124.05 1aut s LEU 106 Ca -0.01 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1aut s LEU 106 Cb -0.17 -2.23 0.11 0.00 0.03 0.00 0.00 46.19 43.92 1aut s LEU 106 CO -0.05 0.19 0.35 -2.28 0.23 0.00 0.00 176.35 174.79 1aut s HIS 107 N 0.12 3.36 0.46 0.29 5.65 0.32 -0.68 115.29 124.81 1aut s HIS 107 Ca 0.13 -1.61 -0.23 0.00 0.25 0.00 0.00 55.06 53.60 1aut s HIS 107 Cb -0.12 -3.36 -0.09 0.00 -1.18 0.00 0.00 32.58 27.82 1aut s HIS 107 CO 0.02 -0.94 1.03 1.28 -0.65 0.00 0.00 174.74 175.48 1aut n LEU 108 N 4.98 3.00 -0.02 8.88 4.32 -0.21 -0.90 117.00 137.05 1aut n LEU 108 Ca -0.10 1.00 0.15 0.00 -0.02 0.00 0.00 56.01 57.04 1aut n LEU 108 Cb 0.41 -1.38 0.74 0.00 -1.62 0.00 0.00 43.42 41.58 1aut n LEU 108 CO 0.44 -1.46 1.00 0.00 -1.22 0.00 0.00 177.39 176.15 1aut n ALA 109 N -0.70 2.56 -3.63 -1.18 0.00 0.99 -4.47 120.51 114.07 1aut n ALA 109 Ca 0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1aut n ALA 109 Cb 0.41 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 1aut n ALA 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1aut s GLN 110 N -2.52 0.51 0.05 0.00 0.74 -1.26 -4.97 119.66 112.21 1aut s GLN 110 Ca 0.30 0.89 -0.30 0.00 0.05 0.00 0.00 55.36 56.29 1aut s GLN 110 Cb 0.20 0.07 -0.08 0.00 1.10 0.00 0.00 33.01 34.31 1aut s GLN 110 CO 0.46 -0.14 1.68 -1.25 -0.55 0.00 0.00 175.29 175.49 1aut s PRO 111 N 1.26 4.19 0.19 1.67 0.04 -1.26 -4.76 135.00 136.32 1aut s PRO 111 Ca -0.08 2.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 1aut s PRO 111 Cb -0.07 -3.69 -0.09 0.00 0.04 0.00 0.00 34.50 30.70 1aut s PRO 111 CO -0.12 -0.77 1.30 0.00 0.04 0.00 0.00 177.00 177.45 1aut s ALA 112 N 2.95 3.51 -0.25 8.56 0.00 0.27 -4.96 121.76 131.86 1aut s ALA 112 Ca 0.75 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 1aut s ALA 112 Cb -0.39 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 1aut s ALA 112 CO 0.33 -0.52 1.40 0.99 0.00 0.00 0.00 175.76 177.95 1aut s THR 113 N 0.16 4.02 0.22 0.00 2.01 -1.26 -4.79 115.64 115.99 1aut s THR 113 Ca 0.57 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 63.43 1aut s THR 113 Cb -0.36 -3.98 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 1aut s THR 113 CO 0.37 -0.36 1.06 -0.76 -0.69 0.00 0.00 174.62 174.25 1aut s LEU 114 N 4.46 4.54 0.00 4.42 1.02 -1.26 -4.81 118.68 127.04 1aut s LEU 114 Ca 0.61 2.11 -0.02 0.00 0.02 0.00 0.00 54.13 56.84 1aut s LEU 114 Cb -0.20 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.40 1aut s LEU 114 CO 0.24 -0.12 0.22 -1.54 0.02 0.00 0.00 176.35 175.16 1aut n SER 115 N 1.87 -0.62 0.11 2.29 3.41 -0.81 -4.95 113.62 114.91 1aut n SER 115 Ca 0.01 -1.68 0.08 0.00 -0.26 0.00 0.00 58.87 57.02 1aut n SER 115 Cb 0.46 1.11 0.42 0.00 -0.26 0.00 0.00 64.21 65.94 1aut n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aut n GLN 116 N -0.21 0.11 0.00 4.33 1.13 -1.26 -1.74 117.38 119.73 1aut n GLN 116 Ca -0.01 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1aut n GLN 116 Cb 0.22 -1.81 0.00 0.00 0.11 0.00 0.00 30.24 28.76 1aut n GLN 116 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1aut n THR 117 N -2.03 0.10 -3.36 5.09 -2.24 -1.26 -4.86 114.28 105.72 1aut n THR 117 Ca -0.00 -0.52 -0.26 0.00 -2.27 0.00 0.00 64.05 60.99 1aut n THR 117 Cb 0.07 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 1aut n THR 117 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1aut n ILE 118 N -0.05 -1.17 -4.28 2.28 5.41 -0.71 -4.52 119.36 116.32 1aut n ILE 118 Ca 0.00 -3.46 -0.29 0.00 1.00 0.00 0.00 62.75 60.01 1aut n ILE 118 Cb 0.04 -1.65 -0.10 0.00 -0.71 0.00 0.00 39.64 37.21 1aut n ILE 118 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1aut s VAL 119 N -0.05 3.06 0.21 1.39 -7.23 -1.20 -1.92 120.40 114.65 1aut s VAL 119 Ca 0.33 -1.48 -0.14 0.00 -1.81 0.00 0.00 61.98 58.88 1aut s VAL 119 Cb 0.05 -2.44 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 1aut s VAL 119 CO -0.19 0.05 0.61 -2.84 -0.31 0.00 0.00 175.10 172.42 1aut s PRO 120 N -2.32 3.98 0.70 4.82 0.02 -1.26 -2.64 135.00 138.30 1aut s PRO 120 Ca 0.20 0.53 -0.13 0.00 0.02 0.00 0.00 61.00 61.63 1aut s PRO 120 Cb -0.10 -2.76 0.02 0.00 0.02 0.00 0.00 34.50 31.68 1aut s PRO 120 CO 0.12 0.36 1.09 -1.50 -0.33 0.00 0.00 177.00 176.75 1aut s ILE 121 N -1.66 3.42 -0.02 2.83 1.10 -0.27 -4.94 121.20 121.65 1aut s ILE 121 Ca 0.44 0.56 -0.11 0.00 -0.51 0.00 0.00 60.65 61.03 1aut s ILE 121 Cb -0.13 -3.09 -0.05 0.00 0.15 0.00 0.00 42.46 39.34 1aut s ILE 121 CO 0.20 -0.51 0.32 0.00 -2.11 0.00 0.00 174.94 172.84 1aut s LEU 123 N -1.27 4.49 0.35 0.00 1.43 -1.26 -0.82 118.68 121.60 1aut s LEU 123 Ca 0.23 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 1aut s LEU 123 Cb -0.15 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 1aut s LEU 123 CO 0.12 0.29 0.54 -2.16 0.23 0.00 0.00 176.35 175.37 1aut s PRO 124 N -1.03 3.31 0.97 1.29 0.04 -1.26 -4.92 135.00 133.39 1aut s PRO 124 Ca 0.26 -0.56 -0.12 0.00 0.04 0.00 0.00 61.00 60.63 1aut s PRO 124 Cb -0.18 -2.70 0.17 0.00 0.04 0.00 0.00 34.50 31.84 1aut s PRO 124 CO 0.16 0.07 1.08 0.34 0.04 0.00 0.00 177.00 178.69 1aut s ASP 125 N -4.10 2.74 0.14 6.66 2.15 -1.26 -4.87 116.67 118.12 1aut s ASP 125 Ca 0.42 1.51 -0.13 0.00 0.43 0.00 0.00 52.55 54.79 1aut s ASP 125 Cb -0.10 -2.18 -0.01 0.00 -0.30 0.00 0.00 42.92 40.33 1aut s ASP 125 CO 0.35 -3.10 1.54 0.28 -0.17 0.00 0.00 175.17 174.06 1aut h SER 126 N -1.87 0.84 -0.34 -0.34 0.02 -1.98 -2.73 113.55 107.14 1aut h SER 126 Ca -0.52 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.02 1aut h SER 126 Cb 1.30 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1aut h SER 126 CO 0.53 1.01 0.05 1.23 -1.14 0.00 0.00 176.83 178.52 1aut h GLY 127 N 0.66 0.61 1.01 -3.77 0.00 -1.99 -1.82 103.07 97.77 1aut h GLY 127 Ca 0.11 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1aut h GLY 127 CO 0.04 0.38 0.55 -2.00 0.00 0.00 0.00 176.54 175.51 1aut h LEU 128 N 0.40 1.03 0.43 3.11 6.46 -1.93 -0.89 115.31 123.93 1aut h LEU 128 Ca 0.10 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1aut h LEU 128 Cb 0.35 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1aut h LEU 128 CO 0.01 0.78 -0.21 0.00 -0.62 0.00 0.00 178.44 178.40 1aut h ALA 128 N 1.30 -1.16 -0.88 1.25 0.00 -1.23 -1.07 119.26 117.47 1aut h ALA 128 Ca 0.32 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1aut h ALA 128 Cb -0.08 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1aut h ALA 128 CO -0.06 -1.11 0.56 0.93 0.00 0.00 0.00 179.25 179.56 1aut h GLU 128 N -0.58 1.01 -0.38 0.00 4.39 -1.36 0.44 114.58 118.10 1aut h GLU 128 Ca -0.06 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 1aut h GLU 128 Cb 0.45 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1aut h GLU 128 CO 0.10 0.67 -0.30 0.00 -1.16 0.00 0.00 179.01 178.32 1aut h ARG 128 N 1.05 0.87 0.00 2.33 3.08 -1.20 -3.39 114.38 117.12 1aut h ARG 128 Ca 0.37 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1aut h ARG 128 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1aut h ARG 128 CO -0.15 1.08 0.00 0.39 -1.07 0.00 0.00 179.97 180.22 1aut n GLU 129 N -4.15 0.00 -0.30 0.04 -0.58 -0.43 -4.72 120.64 110.50 1aut n GLU 129 Ca -0.02 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.85 1aut n GLU 129 Cb 0.49 -0.03 0.30 0.00 -0.57 0.00 0.00 31.44 31.63 1aut n GLU 129 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1aut h LEU 129 N 0.00 0.08 -1.37 -4.62 3.38 -1.22 0.63 115.31 112.19 1aut h LEU 129 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1aut h LEU 129 Cb 0.00 0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1aut h LEU 129 CO 0.00 -0.13 0.00 0.59 0.09 0.00 0.00 178.44 178.99 1aut n ASN 130 N -5.19 2.03 -4.76 -0.43 3.02 0.15 -4.82 115.26 105.27 1aut n ASN 130 Ca 0.22 -1.85 -0.39 0.00 -0.03 0.00 0.00 54.58 52.53 1aut n ASN 130 Cb 0.69 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 1aut n ASN 130 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1aut s GLN 131 N -1.64 4.76 0.13 3.52 2.00 0.21 -4.98 119.66 123.67 1aut s GLN 131 Ca 0.31 1.42 -0.31 0.00 -2.00 0.00 0.00 55.36 54.78 1aut s GLN 131 Cb 0.17 -3.15 -0.11 0.00 0.80 0.00 0.00 33.01 30.72 1aut s GLN 131 CO 0.24 0.46 1.81 0.00 -0.50 0.00 0.00 175.29 177.30 1aut s ALA 132 N -1.29 3.79 0.00 1.58 0.00 -1.26 -2.16 121.76 122.42 1aut s ALA 132 Ca 0.43 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1aut s ALA 132 Cb -0.24 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1aut s ALA 132 CO 0.29 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1aut n GLY 133 N 4.19 2.07 3.66 0.00 0.00 0.28 -4.98 105.19 110.40 1aut n GLY 133 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1aut n GLY 133 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1aut s GLN 134 N -0.46 4.16 -0.05 1.61 2.00 -0.92 -4.61 119.66 121.40 1aut s GLN 134 Ca 0.00 2.43 -0.29 0.00 -2.00 0.00 0.00 55.36 55.50 1aut s GLN 134 Cb 0.00 -4.06 -0.02 0.00 0.80 0.00 0.00 33.01 29.72 1aut s GLN 134 CO 0.00 -0.90 0.95 -2.00 -0.50 0.00 0.00 175.29 172.84 1aut s GLU 135 N 4.20 4.49 0.38 1.67 2.56 -1.26 -0.08 118.70 130.66 1aut s GLU 135 Ca 0.82 1.34 0.05 0.00 0.00 0.00 0.00 54.97 57.17 1aut s GLU 135 Cb -0.39 -3.49 -0.06 0.00 2.00 0.00 0.00 34.13 32.19 1aut s GLU 135 CO 0.36 -0.13 0.04 0.95 -0.56 0.00 0.00 175.26 175.92 1aut s THR 136 N 1.35 1.48 -0.13 -1.70 -4.23 0.21 -4.73 115.64 107.89 1aut s THR 136 Ca 0.49 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1aut s THR 136 Cb -0.20 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 70.86 1aut s THR 136 CO 0.23 0.00 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.41 1aut s LEU 137 N -3.61 1.69 -0.08 4.79 1.02 0.18 -0.84 118.68 121.83 1aut s LEU 137 Ca 0.33 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 54.02 1aut s LEU 137 Cb 0.08 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 45.13 1aut s LEU 137 CO 0.16 -0.03 -0.08 -0.69 0.02 0.00 0.00 176.35 175.72 1aut s VAL 138 N 1.30 3.56 0.20 -1.59 1.01 -0.01 -0.93 120.40 123.94 1aut s VAL 138 Ca 0.01 -0.52 0.11 0.00 0.00 0.00 0.00 61.98 61.58 1aut s VAL 138 Cb -0.14 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1aut s VAL 138 CO -0.07 0.58 -0.22 0.42 0.00 0.00 0.00 175.10 175.81 1aut s THR 139 N -0.52 2.47 0.00 3.92 -4.23 -1.19 -0.89 115.64 115.20 1aut s THR 139 Ca 0.08 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1aut s THR 139 Cb -0.12 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1aut s THR 139 CO 0.02 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1aut n GLY 140 N 0.17 0.79 0.48 3.99 0.00 -0.79 -4.26 105.19 105.57 1aut n GLY 140 Ca -0.12 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.10 1aut n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1aut n TRP 141 N -0.23 0.19 -0.69 1.61 8.01 -1.26 -1.64 117.44 123.42 1aut n TRP 141 Ca 0.00 -0.22 -0.33 0.00 -1.31 0.00 0.00 57.50 55.64 1aut n TRP 141 Cb 0.00 -0.01 0.16 0.00 -2.01 0.00 0.00 31.31 29.45 1aut n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1aut n GLY 142 N 0.50 -2.53 3.66 6.99 0.00 -1.26 -4.75 105.19 107.81 1aut n GLY 142 Ca 0.08 -0.75 -0.51 0.00 0.00 0.00 0.00 46.02 44.84 1aut n GLY 142 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aut n TYR 143 N -4.37 2.04 -1.11 1.61 4.01 -0.30 -2.04 117.16 117.00 1aut n TYR 143 Ca 0.00 0.36 -0.07 0.00 -0.16 0.00 0.00 57.90 58.03 1aut n TYR 143 Cb 0.63 -2.50 0.05 0.00 -0.31 0.00 0.00 39.34 37.21 1aut n TYR 143 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1aut n HIS 144 N 4.60 -3.86 -0.97 -0.72 8.25 -1.25 -2.60 115.22 118.67 1aut n HIS 144 Ca 0.21 -0.27 -0.31 0.00 -0.26 0.00 0.00 57.72 57.10 1aut n HIS 144 Cb 0.22 -0.24 0.13 0.00 1.12 0.00 0.00 29.99 31.22 1aut n HIS 144 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1aut s SER 145 N -2.14 3.59 -1.40 0.41 0.15 -1.26 -4.87 113.70 108.17 1aut s SER 145 Ca 0.17 1.97 -0.08 0.00 0.70 0.00 0.00 55.95 58.71 1aut s SER 145 Cb -0.01 -2.52 0.07 0.00 -1.71 0.00 0.00 66.02 61.86 1aut s SER 145 CO 0.12 -2.64 2.41 -1.20 1.20 0.00 0.00 173.24 173.13 1aut n SER 146 N -3.92 7.21 -4.80 5.45 7.64 -1.26 -4.95 113.62 118.98 1aut n SER 146 Ca 0.10 -2.97 -0.25 0.00 1.01 0.00 0.00 58.87 56.76 1aut n SER 146 Cb 0.53 -1.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.21 1aut n SER 146 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1aut s ARG 147 N 0.39 2.90 0.00 1.43 1.81 -1.26 -5.13 118.95 119.09 1aut s ARG 147 Ca 0.54 -0.93 0.00 0.00 -1.72 0.00 0.00 55.73 53.62 1aut s ARG 147 Cb 0.16 -2.61 0.00 0.00 -0.45 0.00 0.00 34.95 32.05 1aut s ARG 147 CO -0.06 0.46 0.00 0.39 -0.68 0.00 0.00 175.30 175.40 1aut n GLU 148 N -0.61 0.37 -1.52 3.54 -0.58 -1.26 -4.92 120.64 115.66 1aut n GLU 148 Ca -0.08 0.00 -0.49 0.00 -0.42 0.00 0.00 57.16 56.16 1aut n GLU 148 Cb 0.56 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.37 1aut n GLU 148 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1aut n LYS 149 N -0.65 1.38 -4.12 3.49 2.85 -1.26 -4.96 118.16 114.90 1aut n LYS 149 Ca 0.00 0.41 -0.25 0.00 -1.05 0.00 0.00 58.31 57.42 1aut n LYS 149 Cb 0.00 -2.60 -0.07 0.00 -0.65 0.00 0.00 35.03 31.71 1aut n LYS 149 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1aut s GLU 149 N 5.81 2.23 0.23 -1.58 2.02 -1.26 -5.11 118.70 121.04 1aut s GLU 149 Ca 1.05 -1.84 -0.30 0.00 0.02 0.00 0.00 54.97 53.90 1aut s GLU 149 Cb -0.76 -1.99 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 1aut s GLU 149 CO 0.48 -0.13 1.08 0.00 0.02 0.00 0.00 175.26 176.71 1aut s ALA 149 N -2.60 3.38 -0.28 5.21 0.00 -1.26 -5.03 121.76 121.17 1aut s ALA 149 Ca 0.41 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.95 1aut s ALA 149 Cb 0.04 -3.33 0.13 0.00 0.00 0.00 0.00 23.12 19.97 1aut s ALA 149 CO 0.23 -0.14 1.09 0.15 0.00 0.00 0.00 175.76 177.09 1aut s LYS 149 N -0.93 0.43 -0.11 0.00 1.02 -1.26 -5.07 119.74 113.82 1aut s LYS 149 Ca 0.46 0.52 -0.25 0.00 0.02 0.00 0.00 55.97 56.73 1aut s LYS 149 Cb -0.30 0.20 -0.22 0.00 -0.52 0.00 0.00 37.83 36.99 1aut s LYS 149 CO 0.37 -0.05 0.76 -0.09 -0.92 0.00 0.00 175.35 175.42 1aut h ARG 149 N 4.17 -0.02 0.00 1.68 2.43 -2.09 -3.45 114.38 117.09 1aut h ARG 149 Ca -0.28 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 1aut h ARG 149 Cb 1.18 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.69 1aut h ARG 149 CO 0.12 0.76 0.10 0.09 -1.51 0.00 0.00 179.97 179.53 1aut n ASN 150 N -4.69 -0.60 -3.84 -3.80 4.13 -1.26 -5.12 115.26 100.09 1aut n ASN 150 Ca -0.09 -1.34 -0.30 0.00 1.68 0.00 0.00 54.58 54.54 1aut n ASN 150 Cb 0.38 0.52 -0.15 0.00 -1.54 0.00 0.00 39.78 38.99 1aut n ASN 150 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1aut s ARG 151 N 0.01 1.10 0.00 3.52 1.70 -1.26 -4.91 118.95 119.12 1aut s ARG 151 Ca 0.01 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.27 1aut s ARG 151 Cb 0.04 -2.36 0.00 0.00 -0.57 0.00 0.00 34.95 32.06 1aut s ARG 151 CO -0.01 -0.78 0.00 -2.37 -1.08 0.00 0.00 175.30 171.06 1aut n THR 152 N 4.76 0.00 -2.72 4.99 5.66 -1.26 -4.90 114.28 120.81 1aut n THR 152 Ca -0.06 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.55 1aut n THR 152 Cb 0.44 -0.43 0.01 0.00 -1.55 0.00 0.00 70.33 68.80 1aut n THR 152 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1aut n PHE 153 N -2.43 2.94 -5.18 1.09 3.72 -1.26 -4.95 117.46 111.38 1aut n PHE 153 Ca 0.00 -2.80 -0.32 0.00 -0.05 0.00 0.00 57.45 54.28 1aut n PHE 153 Cb 0.00 -1.09 -0.15 0.00 -0.94 0.00 0.00 39.48 37.30 1aut n PHE 153 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1aut s VAL 154 N -4.23 2.35 0.07 -4.37 1.01 -1.26 0.38 120.40 114.35 1aut s VAL 154 Ca 0.40 -0.99 -0.35 0.00 0.00 0.00 0.00 61.98 61.04 1aut s VAL 154 Cb 0.19 -1.85 -0.14 0.00 0.00 0.00 0.00 36.38 34.58 1aut s VAL 154 CO -0.11 0.58 1.62 -0.11 0.00 0.00 0.00 175.10 177.08 1aut n LEU 155 N 2.48 2.92 -4.70 3.92 7.94 -0.66 -4.82 117.00 124.08 1aut n LEU 155 Ca -0.17 1.06 -0.24 0.00 -1.11 0.00 0.00 56.01 55.56 1aut n LEU 155 Cb 0.51 -1.36 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 1aut n LEU 155 CO 0.24 -0.35 -0.22 0.20 -1.11 0.00 0.00 177.39 176.15 1aut s ASN 156 N 1.74 4.45 0.01 1.96 -0.87 -0.65 -1.12 114.94 120.46 1aut s ASN 156 Ca 0.84 -0.93 -0.01 0.00 -1.57 0.00 0.00 52.86 51.19 1aut s ASN 156 Cb -0.74 -0.59 -0.01 0.00 -0.02 0.00 0.00 41.25 39.88 1aut s ASN 156 CO 0.44 -0.35 -0.00 0.72 -2.57 0.00 0.00 177.10 175.33 1aut s PHE 157 N -2.51 0.19 -0.03 2.20 -0.71 0.85 -1.89 117.98 116.08 1aut s PHE 157 Ca 0.38 -0.39 0.05 0.00 -1.04 0.00 0.00 56.93 55.93 1aut s PHE 157 Cb 0.00 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1aut s PHE 157 CO 0.22 -0.17 -0.19 0.96 -1.34 0.00 0.00 175.22 174.70 1aut s ILE 158 N -1.19 1.50 -0.37 -4.49 -4.36 -0.06 -0.76 121.20 111.45 1aut s ILE 158 Ca -0.13 -0.79 -0.07 0.00 -0.26 0.00 0.00 60.65 59.40 1aut s ILE 158 Cb -0.08 -1.26 0.06 0.00 1.25 0.00 0.00 42.46 42.43 1aut s ILE 158 CO -0.01 0.43 0.16 -0.75 0.24 0.00 0.00 174.94 175.01 1aut s LYS 159 N -0.25 2.56 0.12 0.37 2.20 -1.26 -0.83 119.74 122.64 1aut s LYS 159 Ca 0.02 -1.33 0.04 0.00 -0.36 0.00 0.00 55.97 54.35 1aut s LYS 159 Cb -0.09 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1aut s LYS 159 CO 0.01 -0.80 -0.11 0.96 -0.36 0.00 0.00 175.35 175.05 1aut s ILE 160 N 1.39 1.10 0.08 5.43 -4.36 -0.02 -4.95 121.20 119.87 1aut s ILE 160 Ca 0.01 -1.76 -0.05 0.00 -0.26 0.00 0.00 60.65 58.58 1aut s ILE 160 Cb -0.21 -1.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.93 1aut s ILE 160 CO 0.02 -0.57 0.32 -2.16 0.24 0.00 0.00 174.94 172.80 1aut s PRO 161 N -2.99 3.60 0.14 0.37 0.04 -1.26 0.65 135.00 135.55 1aut s PRO 161 Ca 0.09 -0.09 -0.31 0.00 0.04 0.00 0.00 61.00 60.73 1aut s PRO 161 Cb -0.02 -2.97 -0.09 0.00 0.04 0.00 0.00 34.50 31.46 1aut s PRO 161 CO 0.01 0.56 1.46 0.08 0.04 0.00 0.00 177.00 179.15 1aut s VAL 162 N -1.48 3.02 0.05 -0.36 1.01 0.88 -1.74 120.40 121.78 1aut s VAL 162 Ca 0.35 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1aut s VAL 162 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1aut s VAL 162 CO 0.21 0.06 0.18 0.54 0.00 0.00 0.00 175.10 176.09 1aut s VAL 163 N 1.09 5.21 0.34 2.92 0.11 0.61 -0.56 120.40 130.12 1aut s VAL 163 Ca 0.67 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 59.00 1aut s VAL 163 Cb -0.40 -3.52 -0.11 0.00 -1.53 0.00 0.00 36.38 30.83 1aut s VAL 163 CO 0.31 0.17 1.44 -2.16 -3.33 0.00 0.00 175.10 171.53 1aut s PRO 164 N -2.37 4.21 0.14 1.54 0.04 -1.26 -4.46 135.00 132.83 1aut s PRO 164 Ca 0.32 2.43 -0.27 0.00 0.04 0.00 0.00 61.00 63.52 1aut s PRO 164 Cb -0.13 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 1aut s PRO 164 CO 0.25 -0.43 1.59 1.25 0.04 0.00 0.00 177.00 179.70 1aut h HIS 165 N 3.60 -1.13 -1.00 0.56 2.76 -1.96 -2.18 115.15 115.81 1aut h HIS 165 Ca -0.49 0.05 0.10 0.00 -2.20 0.00 0.00 60.37 57.83 1aut h HIS 165 Cb 1.23 0.53 -0.08 0.00 1.55 0.00 0.00 27.41 30.64 1aut h HIS 165 CO 0.56 -0.44 0.64 -0.91 -1.30 0.00 0.00 177.93 176.47 1aut h ASN 166 N -0.39 0.96 -0.48 3.26 2.35 -1.98 -0.92 115.58 118.38 1aut h ASN 166 Ca 0.11 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1aut h ASN 166 Cb 0.59 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1aut h ASN 166 CO -0.47 0.55 0.10 -0.33 -1.65 0.00 0.00 177.43 175.63 1aut h GLU 167 N 1.05 0.77 -0.22 0.81 4.39 -1.86 -2.34 114.58 117.18 1aut h GLU 167 Ca 0.47 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1aut h GLU 167 Cb 0.38 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1aut h GLU 167 CO -0.23 0.77 0.15 0.00 -1.16 0.00 0.00 179.01 178.54 1aut h SER 169 N 0.30 0.68 -0.37 0.00 0.02 -1.04 -0.52 113.55 112.62 1aut h SER 169 Ca 0.08 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1aut h SER 169 Cb -0.03 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1aut h SER 169 CO -0.02 0.41 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.71 1aut h GLU 170 N 0.75 0.77 0.00 3.45 5.08 -1.06 -3.30 114.58 120.28 1aut h GLU 170 Ca 0.37 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1aut h GLU 170 Cb 0.43 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1aut h GLU 170 CO -0.14 0.81 -1.54 1.33 -1.00 0.00 0.00 179.01 178.46 1aut n VAL 171 N -4.20 0.81 -3.24 3.13 0.24 -0.61 -4.92 118.33 109.54 1aut n VAL 171 Ca 0.02 -0.63 -0.37 0.00 -2.04 0.00 0.00 64.34 61.32 1aut n VAL 171 Cb 0.32 -0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 32.19 1aut n VAL 171 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1aut s MET 172 N -3.12 4.16 0.17 7.34 -1.94 -0.30 -4.88 119.30 120.74 1aut s MET 172 Ca -0.04 0.72 -0.02 0.00 -1.71 0.00 0.00 55.69 54.63 1aut s MET 172 Cb 0.10 -3.05 0.03 0.00 2.01 0.00 0.00 34.83 33.92 1aut s MET 172 CO 0.83 0.52 1.42 1.03 -0.01 0.00 0.00 175.02 178.81 1aut h SER 173 N 3.92 0.51 -3.62 3.03 0.87 -1.91 -3.46 113.55 112.90 1aut h SER 173 Ca -0.49 -0.34 -0.47 0.00 -1.23 0.00 0.00 61.79 59.27 1aut h SER 173 Cb 1.20 -0.15 0.06 0.00 -0.44 0.00 0.00 62.40 63.07 1aut h SER 173 CO 0.65 1.09 0.18 0.20 -0.53 0.00 0.00 176.83 178.41 1aut s ASN 174 N -6.99 5.35 -0.09 6.23 0.01 -1.26 -5.04 114.94 113.15 1aut s ASN 174 Ca -0.06 0.59 -0.30 0.00 -0.71 0.00 0.00 52.86 52.39 1aut s ASN 174 Cb 0.10 -1.48 -0.02 0.00 0.41 0.00 0.00 41.25 40.26 1aut s ASN 174 CO 0.85 -1.22 1.11 -0.04 -1.51 0.00 0.00 177.10 176.28 1aut s MET 175 N -5.05 4.37 -0.51 -0.60 -1.94 -1.26 -4.96 119.30 109.35 1aut s MET 175 Ca 0.56 1.53 -0.16 0.00 -1.71 0.00 0.00 55.69 55.91 1aut s MET 175 Cb -0.11 -3.56 0.11 0.00 2.01 0.00 0.00 34.83 33.28 1aut s MET 175 CO 0.45 -0.41 0.46 0.08 -0.01 0.00 0.00 175.02 175.59 1aut s VAL 176 N 2.24 5.21 0.60 -6.03 1.01 -1.26 -5.04 120.40 117.13 1aut s VAL 176 Ca 0.52 -1.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1aut s VAL 176 Cb -0.21 -4.25 0.13 0.00 0.00 0.00 0.00 36.38 32.05 1aut s VAL 176 CO 0.19 -0.75 0.81 -1.54 0.00 0.00 0.00 175.10 173.81 1aut n SER 177 N 5.25 0.28 -0.13 3.32 3.41 -1.26 -4.94 113.62 119.55 1aut n SER 177 Ca -0.13 -1.43 0.11 0.00 -0.26 0.00 0.00 58.87 57.16 1aut n SER 177 Cb 0.42 -0.60 0.58 0.00 -0.26 0.00 0.00 64.21 64.35 1aut n SER 177 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aut n GLU 178 N -2.67 1.17 -0.57 4.33 -0.58 -1.26 -2.28 120.64 118.78 1aut n GLU 178 Ca 0.11 -0.25 0.08 0.00 -0.42 0.00 0.00 57.16 56.68 1aut n GLU 178 Cb 0.38 -1.35 0.31 0.00 -0.57 0.00 0.00 31.44 30.21 1aut n GLU 178 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1aut n ASN 179 N -0.57 4.48 -4.19 1.62 3.02 -1.26 -4.91 115.26 113.45 1aut n ASN 179 Ca 0.16 -2.67 -0.21 0.00 -0.03 0.00 0.00 54.58 51.83 1aut n ASN 179 Cb 0.14 -0.55 -0.13 0.00 -0.61 0.00 0.00 39.78 38.63 1aut n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1aut s MET 180 N -2.25 0.97 -0.03 3.52 -1.94 -0.96 -2.38 119.30 116.22 1aut s MET 180 Ca 0.45 -0.91 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1aut s MET 180 Cb 0.33 -1.03 0.00 0.00 2.01 0.00 0.00 34.83 36.14 1aut s MET 180 CO 0.17 0.24 -0.11 -1.17 -0.01 0.00 0.00 175.02 174.14 1aut s LEU 181 N -1.47 1.78 0.09 -0.03 2.96 0.29 -4.75 118.68 117.56 1aut s LEU 181 Ca 0.02 -0.23 0.09 0.00 -0.22 0.00 0.00 54.13 53.78 1aut s LEU 181 Cb -0.09 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 1aut s LEU 181 CO 0.02 0.08 -0.22 0.00 -1.32 0.00 0.00 176.35 174.90 1aut s ALA 183 N -1.02 -0.82 0.00 0.00 0.00 -0.89 -0.28 121.76 118.75 1aut s ALA 183 Ca 0.15 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1aut s ALA 183 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1aut s ALA 183 CO 0.06 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1aut n GLY 184 N 1.79 2.54 3.09 0.00 0.00 -0.71 -2.85 105.19 109.05 1aut n GLY 184 Ca -0.19 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 1aut n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aut s ILE 184 N -2.00 2.26 0.49 -0.61 1.01 -1.26 -4.57 121.20 116.51 1aut s ILE 184 Ca 0.00 -1.46 -0.24 0.00 0.00 0.00 0.00 60.65 58.95 1aut s ILE 184 Cb 0.00 -2.25 -0.07 0.00 0.01 0.00 0.00 42.46 40.15 1aut s ILE 184 CO 0.00 0.07 1.40 0.18 0.00 0.00 0.00 174.94 176.59 1aut n LEU 185 N 4.49 5.24 0.00 2.97 4.77 -1.26 -1.03 117.00 132.18 1aut n LEU 185 Ca -0.15 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 1aut n LEU 185 Cb 0.44 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 1aut n LEU 185 CO 0.23 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1aut n GLY 186 N 0.66 2.80 3.96 -0.72 0.00 -0.32 -4.99 105.19 106.57 1aut n GLY 186 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1aut n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aut s ASP 186 N -1.71 5.62 0.00 1.61 2.15 -0.20 -4.90 116.67 119.24 1aut s ASP 186 Ca 0.00 -0.40 0.06 0.00 0.43 0.00 0.00 52.55 52.64 1aut s ASP 186 Cb 0.00 -0.90 0.14 0.00 -0.30 0.00 0.00 42.92 41.87 1aut s ASP 186 CO 0.00 -0.57 1.02 0.54 -0.17 0.00 0.00 175.17 176.00 1aut n ARG 187 N -1.66 2.08 -2.23 4.34 1.74 -1.26 -4.30 116.66 115.37 1aut n ARG 187 Ca 0.03 -1.55 -0.43 0.00 -0.77 0.00 0.00 57.85 55.13 1aut n ARG 187 Cb 0.59 -1.15 -0.02 0.00 -1.02 0.00 0.00 32.46 30.86 1aut n ARG 187 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1aut s GLN 188 N -0.87 3.85 0.16 5.56 -0.21 -1.26 -4.21 119.66 122.68 1aut s GLN 188 Ca 0.12 1.51 -0.24 0.00 0.02 0.00 0.00 55.36 56.77 1aut s GLN 188 Cb 0.06 -3.98 0.06 0.00 1.00 0.00 0.00 33.01 30.16 1aut s GLN 188 CO 0.09 -1.22 0.79 0.34 -2.12 0.00 0.00 175.29 173.16 1aut s ASP 189 N 3.68 -0.33 0.97 5.90 2.15 -1.13 -4.73 116.67 123.17 1aut s ASP 189 Ca 0.66 -0.30 -0.15 0.00 0.43 0.00 0.00 52.55 53.19 1aut s ASP 189 Cb -0.22 0.57 0.22 0.00 -0.30 0.00 0.00 42.92 43.19 1aut s ASP 189 CO 0.27 -1.00 1.32 0.00 -0.17 0.00 0.00 175.17 175.59 1aut s ALA 190 N -3.56 2.31 0.00 3.66 0.00 -1.26 0.71 121.76 123.62 1aut s ALA 190 Ca 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1aut s ALA 190 Cb -0.03 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1aut s ALA 190 CO -0.02 -2.49 0.00 0.00 0.00 0.00 0.00 175.76 173.25 1aut n GLU 192 N 0.00 2.01 -0.27 0.00 -0.58 -1.26 -1.75 120.64 118.78 1aut n GLU 192 Ca 0.00 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 1aut n GLU 192 Cb 0.00 -2.41 0.00 0.00 -0.57 0.00 0.00 31.44 28.46 1aut n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aut n GLY 193 N 2.62 1.57 0.07 0.62 0.00 -1.26 -1.15 105.19 107.66 1aut n GLY 193 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1aut n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aut n ASP 194 N 0.00 0.49 -4.47 1.61 8.00 -0.72 -3.92 116.55 117.54 1aut n ASP 194 Ca 0.00 0.19 -0.49 0.00 0.71 0.00 0.00 54.79 55.20 1aut n ASP 194 Cb 0.00 1.09 -0.04 0.00 -0.02 0.00 0.00 41.12 42.15 1aut n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1aut n SER 195 N -2.51 -0.24 0.00 -2.24 7.64 -1.26 -1.31 113.62 113.69 1aut n SER 195 Ca -0.02 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1aut n SER 195 Cb 0.58 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1aut n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aut n GLY 196 N 1.80 2.57 3.64 0.23 0.00 0.29 -0.57 105.19 113.14 1aut n GLY 196 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1aut n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aut s GLY 197 N -1.92 1.62 -0.12 -0.02 0.00 -0.43 -3.50 107.32 102.95 1aut s GLY 197 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.78 1aut s GLY 197 CO 0.00 0.66 0.11 2.56 0.00 0.00 0.00 173.10 176.43 1aut s PRO 198 N -4.70 3.40 -0.46 2.90 0.04 -1.26 -0.83 135.00 134.08 1aut s PRO 198 Ca 0.66 -0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.40 1aut s PRO 198 Cb -0.21 -3.13 0.09 0.00 0.04 0.00 0.00 34.50 31.28 1aut s PRO 198 CO 0.60 0.74 0.34 1.41 0.04 0.00 0.00 177.00 180.13 1aut s MET 199 N -0.93 2.73 0.24 4.56 1.75 -0.23 -3.17 119.30 124.25 1aut s MET 199 Ca 0.14 -1.51 0.07 0.00 -1.25 0.00 0.00 55.69 53.14 1aut s MET 199 Cb -0.12 -3.96 -0.04 0.00 2.84 0.00 0.00 34.83 33.55 1aut s MET 199 CO 0.03 -1.06 0.21 0.14 -0.65 0.00 0.00 175.02 173.69 1aut s VAL 200 N 1.49 4.53 -0.07 10.11 -7.23 -0.11 -1.07 120.40 128.05 1aut s VAL 200 Ca 0.04 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 1aut s VAL 200 Cb -0.25 -3.43 0.03 0.00 0.56 0.00 0.00 36.38 33.28 1aut s VAL 200 CO 0.03 -0.32 0.29 0.00 -0.31 0.00 0.00 175.10 174.79 1aut s ALA 201 N -2.08 -0.72 -0.16 1.32 0.00 -1.14 0.49 121.76 119.47 1aut s ALA 201 Ca 0.33 0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.81 1aut s ALA 201 Cb -0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1aut s ALA 201 CO 0.25 -0.18 0.15 -1.54 0.00 0.00 0.00 175.76 174.44 1aut s SER 202 N -0.40 6.31 -0.26 0.00 1.04 -1.26 -1.30 113.70 117.82 1aut s SER 202 Ca -0.05 0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.76 1aut s SER 202 Cb -0.03 -2.09 0.06 0.00 0.10 0.00 0.00 66.02 64.06 1aut s SER 202 CO 0.02 0.27 -0.08 0.12 0.98 0.00 0.00 173.24 174.55 1aut s PHE 203 N -0.24 3.10 -1.34 5.02 5.36 0.87 -4.77 117.98 125.98 1aut s PHE 203 Ca 0.12 -2.26 -0.00 0.00 -0.96 0.00 0.00 56.93 53.83 1aut s PHE 203 Cb -0.12 -1.94 -0.00 0.00 -0.34 0.00 0.00 43.02 40.63 1aut s PHE 203 CO 0.01 -0.86 0.58 0.72 -1.46 0.00 0.00 175.22 174.21 1aut n HIS 204 N 4.47 -1.80 0.00 10.12 8.25 -1.26 -1.91 115.22 133.09 1aut n HIS 204 Ca -0.12 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1aut n HIS 204 Cb 0.42 -4.13 0.00 0.00 1.12 0.00 0.00 29.99 27.40 1aut n HIS 204 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aut n GLY 205 N -1.74 3.04 3.90 -1.41 0.00 -1.26 -5.02 105.19 102.70 1aut n GLY 205 Ca -0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1aut n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aut s THR 206 N -1.66 5.42 -0.27 2.61 2.01 -0.80 -5.06 115.64 117.89 1aut s THR 206 Ca 0.00 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 1aut s THR 206 Cb 0.00 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1aut s THR 206 CO 0.00 0.35 0.22 0.26 -0.69 0.00 0.00 174.62 174.76 1aut s TRP 207 N -1.30 3.24 0.10 4.92 0.52 -1.26 -0.09 118.94 125.06 1aut s TRP 207 Ca 0.26 0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.63 1aut s TRP 207 Cb -0.13 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 1aut s TRP 207 CO 0.17 -0.14 -0.05 -0.06 0.02 0.00 0.00 176.95 176.89 1aut s PHE 208 N 1.71 2.86 -0.11 -1.98 0.08 -0.42 -2.40 117.98 117.72 1aut s PHE 208 Ca 0.08 -0.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.78 1aut s PHE 208 Cb -0.16 -1.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 1aut s PHE 208 CO 0.10 0.45 0.84 -1.17 -0.10 0.00 0.00 175.22 175.34 1aut s LEU 209 N -2.27 4.25 -0.16 -0.37 2.96 -0.00 -2.87 118.68 120.22 1aut s LEU 209 Ca 0.24 1.30 -0.07 0.00 -0.22 0.00 0.00 54.13 55.37 1aut s LEU 209 Cb -0.11 -3.29 -0.07 0.00 0.50 0.00 0.00 46.19 43.22 1aut s LEU 209 CO 0.16 -0.31 -0.20 0.52 -1.32 0.00 0.00 176.35 175.20 1aut n VAL 210 N 4.32 0.90 -3.71 1.68 0.31 -0.24 -4.50 118.33 117.11 1aut n VAL 210 Ca 0.04 -0.24 -0.07 0.00 -0.01 0.00 0.00 64.34 64.05 1aut n VAL 210 Cb 0.50 -1.64 -0.01 0.00 -0.91 0.00 0.00 33.84 31.78 1aut n VAL 210 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aut n GLY 211 N 2.06 2.28 3.06 2.92 0.00 -1.10 -2.52 105.19 111.89 1aut n GLY 211 Ca -0.32 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.10 1aut n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aut s LEU 212 N 0.00 2.04 0.04 0.99 1.43 -1.12 -1.07 118.68 120.99 1aut s LEU 212 Ca 0.13 -0.22 -0.32 0.00 -1.03 0.00 0.00 54.13 52.70 1aut s LEU 212 Cb -0.01 -0.55 -0.10 0.00 0.03 0.00 0.00 46.19 45.55 1aut s LEU 212 CO 0.10 0.12 1.90 0.52 0.23 0.00 0.00 176.35 179.21 1aut n VAL 213 N 2.73 0.58 0.01 -1.59 0.31 -0.01 -0.97 118.33 119.38 1aut n VAL 213 Ca -0.14 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.07 1aut n VAL 213 Cb 0.56 -2.12 -0.00 0.00 -0.91 0.00 0.00 33.84 31.36 1aut n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1aut n SER 214 N 6.59 0.92 -3.83 4.52 2.88 -0.66 -0.55 113.62 123.49 1aut n SER 214 Ca 0.20 0.13 -0.07 0.00 -1.33 0.00 0.00 58.87 57.80 1aut n SER 214 Cb 0.37 -0.34 -0.02 0.00 -0.75 0.00 0.00 64.21 63.47 1aut n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1aut s TRP 215 N -1.85 -0.18 0.19 0.66 1.48 -0.21 -4.94 118.94 114.10 1aut s TRP 215 Ca -0.05 -0.27 -0.21 0.00 -1.06 0.00 0.00 56.10 54.51 1aut s TRP 215 Cb 0.01 0.71 0.07 0.00 -1.16 0.00 0.00 33.47 33.10 1aut s TRP 215 CO 0.07 -1.22 1.00 0.41 -4.06 0.00 0.00 176.95 173.16 1aut n GLY 216 N -0.46 0.63 2.86 3.67 0.00 -1.26 0.21 105.19 110.83 1aut n GLY 216 Ca -0.04 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 1aut n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aut s GLU 217 N -2.05 1.10 0.62 1.61 2.02 -1.26 -5.03 118.70 115.70 1aut s GLU 217 Ca 0.22 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1aut s GLU 217 Cb -0.03 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1aut s GLU 217 CO 0.06 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.84 1aut n GLY 219 N 4.63 -1.84 3.06 -1.39 0.00 -1.26 -4.81 105.19 103.58 1aut n GLY 219 Ca -0.02 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 1aut n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aut n GLY 221 N 5.37 0.67 3.77 0.00 0.00 -1.26 -5.00 105.19 108.73 1aut n GLY 221 Ca -0.06 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 1aut n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aut s LEU 221 N -1.43 4.32 0.00 0.99 1.43 -1.26 -4.54 118.68 118.19 1aut s LEU 221 Ca 0.00 2.34 0.31 0.00 -1.03 0.00 0.00 54.13 55.75 1aut s LEU 221 Cb 0.00 -3.88 1.79 0.00 0.03 0.00 0.00 46.19 44.13 1aut s LEU 221 CO 0.00 -0.50 2.16 0.18 0.23 0.00 0.00 176.35 178.42 1aut n LEU 222 N 0.45 0.12 -0.33 1.79 4.77 -1.26 -3.77 117.00 118.77 1aut n LEU 222 Ca 0.02 -0.04 0.04 0.00 -0.03 0.00 0.00 56.01 56.00 1aut n LEU 222 Cb 0.46 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1aut n LEU 222 CO 0.52 0.02 0.43 0.00 -1.33 0.00 0.00 177.39 177.03 1aut n HIS 223 N -0.89 0.08 -3.95 -1.77 1.44 -1.26 -1.18 115.22 107.69 1aut n HIS 223 Ca 0.23 -0.14 -0.00 0.00 -2.01 0.00 0.00 57.72 55.80 1aut n HIS 223 Cb 0.13 -0.01 -0.00 0.00 0.12 0.00 0.00 29.99 30.23 1aut n HIS 223 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1aut n ASN 224 N 0.35 -0.01 -4.44 4.39 0.23 -1.25 -4.93 115.26 109.61 1aut n ASN 224 Ca 0.05 -1.02 -0.26 0.00 -0.53 0.00 0.00 54.58 52.82 1aut n ASN 224 Cb 0.23 0.02 -0.09 0.00 -2.08 0.00 0.00 39.78 37.86 1aut n ASN 224 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1aut s TYR 225 N -2.35 1.98 -0.07 -2.53 2.02 -1.26 -4.76 117.35 110.37 1aut s TYR 225 Ca 0.00 -1.01 -0.03 0.00 -0.37 0.00 0.00 57.07 55.66 1aut s TYR 225 Cb 0.00 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 1aut s TYR 225 CO 0.00 0.03 0.07 0.20 -1.57 0.00 0.00 175.55 174.28 1aut s GLY 226 N -3.64 2.00 -0.14 0.71 0.00 -1.13 -4.63 107.32 100.49 1aut s GLY 226 Ca 0.26 -0.77 -0.06 0.00 0.00 0.00 0.00 44.72 44.16 1aut s GLY 226 CO 0.13 -0.56 0.07 0.14 0.00 0.00 0.00 173.10 172.88 1aut s VAL 227 N -1.02 4.87 0.19 1.40 1.01 0.13 -2.10 120.40 124.88 1aut s VAL 227 Ca 0.17 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1aut s VAL 227 Cb -0.12 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1aut s VAL 227 CO 0.06 0.54 -0.16 -0.31 0.00 0.00 0.00 175.10 175.24 1aut s TYR 228 N -0.35 1.74 -0.14 5.22 1.51 0.14 -1.05 117.35 124.43 1aut s TYR 228 Ca 0.09 -0.54 -0.24 0.00 -1.01 0.00 0.00 57.07 55.37 1aut s TYR 228 Cb -0.12 -0.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1aut s TYR 228 CO 0.02 0.36 0.77 0.99 -1.11 0.00 0.00 175.55 176.57 1aut s THR 229 N -2.68 4.95 -0.77 -0.71 2.01 -0.15 -0.55 115.64 117.75 1aut s THR 229 Ca 0.20 1.52 -0.26 0.00 0.31 0.00 0.00 61.69 63.46 1aut s THR 229 Cb -0.02 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1aut s THR 229 CO 0.07 0.11 1.54 -0.75 -0.69 0.00 0.00 174.62 174.90 1aut s LYS 230 N 1.69 3.03 0.51 4.92 2.20 -1.00 -2.79 119.74 128.30 1aut s LYS 230 Ca 0.37 -0.16 0.26 0.00 -0.36 0.00 0.00 55.97 56.08 1aut s LYS 230 Cb -0.17 -4.53 1.40 0.00 -1.51 0.00 0.00 37.83 33.02 1aut s LYS 230 CO 0.14 -2.45 2.06 0.28 -0.36 0.00 0.00 175.35 175.02 1aut h VAL 231 N 6.53 0.62 0.00 4.02 2.07 -1.83 -2.78 116.25 124.87 1aut h VAL 231 Ca -0.15 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1aut h VAL 231 Cb 1.07 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1aut h VAL 231 CO 1.28 0.12 0.00 0.77 0.02 0.00 0.00 177.57 179.77 1aut h SER 232 N 0.00 0.00 0.27 0.57 4.64 -1.89 0.13 113.55 117.27 1aut h SER 232 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aut h SER 232 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1aut h SER 232 CO 0.02 0.00 -0.04 0.54 -0.87 0.00 0.00 176.83 176.48 1aut n ARG 233 N -3.03 0.80 0.00 4.77 1.74 -1.05 -3.77 116.66 116.12 1aut n ARG 233 Ca -0.02 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1aut n ARG 233 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1aut n ARG 233 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1aut n TYR 234 N -0.96 0.00 -0.34 -1.55 4.01 0.02 -4.82 117.16 113.51 1aut n TYR 234 Ca 0.18 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.04 1aut n TYR 234 Cb 0.22 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.51 1aut n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1aut h LEU 235 N 0.00 -0.53 -0.31 7.72 4.07 -1.61 -0.29 115.31 124.36 1aut h LEU 235 Ca 0.00 0.27 -0.04 0.00 0.08 0.00 0.00 57.88 58.20 1aut h LEU 235 Cb 0.10 0.49 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 1aut h LEU 235 CO 0.00 -0.33 0.05 0.44 -1.08 0.00 0.00 178.44 177.51 1aut h ASP 236 N 0.02 0.49 -0.18 -0.43 3.32 -1.87 -0.49 116.42 117.28 1aut h ASP 236 Ca 0.56 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.39 1aut h ASP 236 Cb 1.11 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 1aut h ASP 236 CO -0.91 0.63 -0.09 -0.25 -1.72 0.00 0.00 179.24 176.90 1aut h TRP 237 N 0.34 -0.22 0.61 4.55 7.01 -1.47 0.36 115.95 127.12 1aut h TRP 237 Ca 0.09 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 1aut h TRP 237 Cb 0.35 0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 1aut h TRP 237 CO 0.02 -0.14 -0.38 0.82 -2.79 0.00 0.00 178.44 175.97 1aut h ILE 238 N -0.08 0.00 -0.66 2.65 2.04 -0.96 -2.04 117.51 118.47 1aut h ILE 238 Ca 0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 1aut h ILE 238 Cb 0.22 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1aut h ILE 238 CO -0.23 0.00 0.43 0.45 0.00 0.00 0.00 178.15 178.81 1aut h HIS 239 N -0.93 0.61 0.00 1.37 3.86 -1.07 0.11 115.15 119.11 1aut h HIS 239 Ca -0.08 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1aut h HIS 239 Cb 0.74 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1aut h HIS 239 CO -0.06 0.31 0.00 0.78 0.86 0.00 0.00 177.93 179.82 1aut h GLY 240 N 0.59 0.00 0.27 2.45 0.00 -0.56 0.18 103.07 106.01 1aut h GLY 240 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.25 1aut h GLY 240 CO -0.09 0.00 -2.21 1.42 0.00 0.00 0.00 176.54 175.65 1aut n HIS 241 N -2.82 0.61 0.45 5.60 -0.00 0.23 -4.11 115.22 115.19 1aut n HIS 241 Ca -0.00 0.14 -0.18 0.00 -0.00 0.00 0.00 57.72 57.67 1aut n HIS 241 Cb 0.19 -1.08 -0.09 0.00 -0.00 0.00 0.00 29.99 29.02 1aut n HIS 241 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1aut h ILE 242 N -0.07 0.05 -0.30 1.59 2.04 -0.76 -3.03 117.51 117.04 1aut h ILE 242 Ca -0.51 -0.13 -0.63 0.00 1.00 0.00 0.00 64.86 64.60 1aut h ILE 242 Cb 1.92 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1aut h ILE 242 CO -0.03 0.00 2.98 -1.14 0.00 0.00 0.00 178.15 179.96 1aut n ARG 243 N -5.55 3.69 0.00 2.37 0.63 0.62 -5.09 116.66 113.32 1aut n ARG 243 Ca -0.15 -2.36 0.00 0.00 -0.92 0.00 0.00 57.85 54.42 1aut n ARG 243 Cb 0.46 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1aut n ARG 243 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65