#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii6 s GLU 2 N 0.00 1.35 -0.18 0.03 0.41 0.16 -4.95 118.70 115.52 3ii6 s GLU 2 Ca 0.00 -0.89 -0.35 0.00 -0.41 0.00 0.00 54.97 53.32 3ii6 s GLU 2 Cb 0.00 -2.18 0.14 0.00 -1.78 0.00 0.00 34.13 30.32 3ii6 s GLU 2 CO 0.00 -1.76 1.32 0.50 -0.49 0.00 0.00 175.26 174.83 3ii6 s ARG 3 N -5.38 0.19 -0.28 1.61 3.52 -1.26 -2.57 118.95 114.78 3ii6 s ARG 3 Ca 0.69 -0.08 -0.20 0.00 -0.13 0.00 0.00 55.73 56.00 3ii6 s ARG 3 Cb -0.05 0.08 0.10 0.00 -1.56 0.00 0.00 34.95 33.52 3ii6 s ARG 3 CO 0.47 -0.08 0.83 0.21 -0.81 0.00 0.00 175.30 175.91 3ii6 s LYS 4 N -2.24 0.63 0.04 5.12 2.20 0.13 -4.96 119.74 120.67 3ii6 s LYS 4 Ca 0.12 0.92 0.06 0.00 -0.36 0.00 0.00 55.97 56.71 3ii6 s LYS 4 Cb 0.01 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 3ii6 s LYS 4 CO -0.04 -0.10 -0.12 0.42 -0.36 0.00 0.00 175.35 175.14 3ii6 s ILE 5 N 0.98 3.21 -0.30 5.43 1.01 -1.26 0.20 121.20 130.47 3ii6 s ILE 5 Ca -0.05 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 3ii6 s ILE 5 Cb -0.05 -2.40 0.15 0.00 0.01 0.00 0.00 42.46 40.17 3ii6 s ILE 5 CO -0.11 0.31 0.70 -0.55 0.00 0.00 0.00 174.94 175.28 3ii6 s SER 6 N -1.60 -1.10 0.20 3.58 0.15 -0.33 -5.01 113.70 109.60 3ii6 s SER 6 Ca 0.17 1.31 -0.30 0.00 0.70 0.00 0.00 55.95 57.83 3ii6 s SER 6 Cb -0.11 2.17 -0.08 0.00 -1.71 0.00 0.00 66.02 66.29 3ii6 s SER 6 CO 0.08 -0.21 1.12 -0.60 1.20 0.00 0.00 173.24 174.83 3ii6 s ARG 7 N 2.83 4.58 0.28 5.44 3.52 -1.26 -0.09 118.95 134.26 3ii6 s ARG 7 Ca -0.00 1.77 0.03 0.00 -0.13 0.00 0.00 55.73 57.40 3ii6 s ARG 7 Cb -0.12 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 3ii6 s ARG 7 CO -0.19 0.07 0.19 0.96 -0.81 0.00 0.00 175.30 175.53 3ii6 s ILE 8 N -0.42 0.10 0.35 4.11 -4.36 -0.73 -4.90 121.20 115.35 3ii6 s ILE 8 Ca 0.49 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.93 3ii6 s ILE 8 Cb -0.31 -2.50 -0.07 0.00 1.25 0.00 0.00 42.46 40.83 3ii6 s ILE 8 CO 0.37 0.00 0.02 -1.00 0.24 0.00 0.00 174.94 174.57 3ii6 s HIS 9 N -3.72 2.18 0.21 1.37 3.76 -1.26 -2.38 115.29 115.44 3ii6 s HIS 9 Ca 0.39 -0.81 0.11 0.00 -0.15 0.00 0.00 55.06 54.60 3ii6 s HIS 9 Cb 0.05 -1.44 -0.05 0.00 1.11 0.00 0.00 32.58 32.25 3ii6 s HIS 9 CO 0.19 0.22 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.57 3ii6 s LEU 10 N -3.56 2.51 0.16 0.89 1.43 -1.25 -4.14 118.68 114.72 3ii6 s LEU 10 Ca 0.35 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3ii6 s LEU 10 Cb 0.08 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 3ii6 s LEU 10 CO 0.16 0.10 1.38 0.58 0.23 0.00 0.00 176.35 178.80 3ii6 h VAL 11 N 2.97 1.52 -0.94 -1.59 2.07 -1.60 -3.17 116.25 115.51 3ii6 h VAL 11 Ca -0.45 -2.69 0.24 0.00 0.82 0.00 0.00 66.70 64.61 3ii6 h VAL 11 Cb 1.22 2.50 -0.06 0.00 -1.52 0.00 0.00 31.29 33.43 3ii6 h VAL 11 CO 0.51 0.78 0.63 0.77 0.02 0.00 0.00 177.57 180.28 3ii6 h SER 12 N 0.08 0.31 -2.61 0.57 4.64 -1.91 -3.29 113.55 111.34 3ii6 h SER 12 Ca -0.04 0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3ii6 h SER 12 Cb 1.52 -0.01 -0.39 0.00 -0.31 0.00 0.00 62.40 63.20 3ii6 h SER 12 CO 0.13 0.10 -0.84 -1.61 -0.87 0.00 0.00 176.83 173.74 3ii6 s GLU 13 N -5.32 0.54 0.35 4.77 2.02 -1.21 -5.04 118.70 114.82 3ii6 s GLU 13 Ca -0.07 -1.30 0.08 0.00 0.02 0.00 0.00 54.97 53.69 3ii6 s GLU 13 Cb 0.23 -1.31 0.67 0.00 0.10 0.00 0.00 34.13 33.82 3ii6 s GLU 13 CO 0.78 -1.20 1.85 -1.00 0.02 0.00 0.00 175.26 175.72 3ii6 h PRO 14 N 7.07 0.29 -0.34 0.39 0.13 -1.63 -3.34 132.00 134.57 3ii6 h PRO 14 Ca 0.05 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3ii6 h PRO 14 Cb 0.97 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3ii6 h PRO 14 CO 0.27 0.47 0.00 0.43 -0.23 0.00 0.00 178.00 178.94 3ii6 n SER 15 N -4.21 2.10 -3.43 1.44 7.64 -1.26 -4.88 113.62 111.01 3ii6 n SER 15 Ca -0.01 -1.92 -0.21 0.00 1.01 0.00 0.00 58.87 57.74 3ii6 n SER 15 Cb 0.32 -0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 63.21 3ii6 n SER 15 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3ii6 n ILE 16 N 0.63 0.00 -4.81 0.44 5.41 -1.25 -5.17 119.36 114.60 3ii6 n ILE 16 Ca 0.15 -2.49 -0.33 0.00 1.00 0.00 0.00 62.75 61.08 3ii6 n ILE 16 Cb 0.35 1.17 -0.13 0.00 -0.71 0.00 0.00 39.64 40.32 3ii6 n ILE 16 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3ii6 s THR 17 N -3.34 3.15 0.41 1.39 2.01 -1.26 -4.73 115.64 113.27 3ii6 s THR 17 Ca 0.37 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.74 3ii6 s THR 17 Cb 0.02 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 3ii6 s THR 17 CO 0.26 0.57 0.04 -1.00 -0.69 0.00 0.00 174.62 173.80 3ii6 s HIS 18 N -0.35 2.06 -0.05 4.92 3.76 -1.00 -4.80 115.29 119.84 3ii6 s HIS 18 Ca 0.04 -0.94 -0.00 0.00 -0.15 0.00 0.00 55.06 54.00 3ii6 s HIS 18 Cb -0.12 -1.48 0.03 0.00 1.11 0.00 0.00 32.58 32.11 3ii6 s HIS 18 CO 0.02 0.13 -0.00 -0.06 -0.85 0.00 0.00 174.74 173.98 3ii6 s PHE 19 N -3.01 0.50 -0.00 1.40 0.08 0.08 -1.78 117.98 115.24 3ii6 s PHE 19 Ca 0.26 -0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.22 3ii6 s PHE 19 Cb 0.06 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 3ii6 s PHE 19 CO 0.13 -0.21 0.10 -1.17 -0.10 0.00 0.00 175.22 173.98 3ii6 s LEU 20 N 1.36 4.01 -0.07 -0.37 2.96 0.87 -0.84 118.68 126.61 3ii6 s LEU 20 Ca -0.05 0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3ii6 s LEU 20 Cb -0.13 -2.35 0.03 0.00 0.50 0.00 0.00 46.19 44.24 3ii6 s LEU 20 CO -0.02 0.27 0.05 -1.58 -1.32 0.00 0.00 176.35 173.75 3ii6 s GLN 21 N -1.80 0.09 -0.20 1.98 0.74 -0.20 -1.19 119.66 119.09 3ii6 s GLN 21 Ca 0.24 0.25 -0.05 0.00 0.05 0.00 0.00 55.36 55.85 3ii6 s GLN 21 Cb -0.12 -0.80 -0.02 0.00 1.10 0.00 0.00 33.01 33.16 3ii6 s GLN 21 CO 0.15 -0.37 -0.01 0.08 -0.55 0.00 0.00 175.29 174.59 3ii6 s VAL 22 N 2.12 3.88 0.00 1.34 1.01 0.13 -1.93 120.40 126.95 3ii6 s VAL 22 Ca 0.04 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.75 3ii6 s VAL 22 Cb -0.13 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3ii6 s VAL 22 CO -0.04 0.43 -0.20 -0.94 0.00 0.00 0.00 175.10 174.34 3ii6 s SER 23 N 1.05 3.56 0.24 3.32 1.04 0.29 0.23 113.70 123.42 3ii6 s SER 23 Ca 0.02 -0.40 -0.09 0.00 0.48 0.00 0.00 55.95 55.96 3ii6 s SER 23 Cb -0.14 -0.55 -0.01 0.00 0.10 0.00 0.00 66.02 65.41 3ii6 s SER 23 CO 0.01 0.30 0.39 -1.66 0.98 0.00 0.00 173.24 173.26 3ii6 s TRP 24 N -0.77 0.62 -0.38 5.02 -2.14 -1.06 -1.27 118.94 118.96 3ii6 s TRP 24 Ca 0.12 -0.94 -0.06 0.00 2.66 0.00 0.00 56.10 57.89 3ii6 s TRP 24 Cb -0.10 -0.03 0.08 0.00 -3.10 0.00 0.00 33.47 30.32 3ii6 s TRP 24 CO 0.02 -0.91 0.17 -2.00 -2.66 0.00 0.00 176.95 171.56 3ii6 s GLU 25 N -3.98 2.40 0.00 3.25 -6.30 -1.26 -0.67 118.70 112.14 3ii6 s GLU 25 Ca 0.27 -1.48 0.00 0.00 -2.50 0.00 0.00 54.97 51.27 3ii6 s GLU 25 Cb 0.01 -3.56 0.00 0.00 0.00 0.00 0.00 34.13 30.58 3ii6 s GLU 25 CO 0.11 -0.88 0.00 1.63 0.02 0.00 0.00 175.26 176.14 3ii6 n LYS 26 N 4.75 0.00 -3.52 4.30 4.76 -1.26 -4.65 118.16 122.54 3ii6 n LYS 26 Ca -0.09 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.25 3ii6 n LYS 26 Cb 0.43 -3.17 -0.02 0.00 -1.84 0.00 0.00 35.03 30.43 3ii6 n LYS 26 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3ii6 s THR 27 N -0.02 0.00 -0.81 -0.18 -4.23 -1.26 -4.99 115.64 104.15 3ii6 s THR 27 Ca 0.00 -0.22 0.17 0.00 -1.18 0.00 0.00 61.69 60.46 3ii6 s THR 27 Cb 0.00 -1.23 0.16 0.00 1.34 0.00 0.00 72.50 72.77 3ii6 s THR 27 CO 0.00 0.00 1.52 -0.11 -0.54 0.00 0.00 174.62 175.49 3ii6 n LEU 28 N -0.39 0.24 0.04 4.79 0.00 -1.26 -3.12 117.00 117.28 3ii6 n LEU 28 Ca -0.14 0.56 -0.13 0.00 0.00 0.00 0.00 56.01 56.31 3ii6 n LEU 28 Cb 0.64 -0.53 -0.14 0.00 0.00 0.00 0.00 43.42 43.38 3ii6 n LEU 28 CO 0.13 -0.39 -0.31 -0.08 0.00 0.00 0.00 177.39 176.74 3ii6 h GLU 29 N 0.00 0.13 -0.01 1.96 4.81 -1.94 -3.11 114.58 116.43 3ii6 h GLU 29 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3ii6 h GLU 29 Cb 0.26 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3ii6 h GLU 29 CO 0.00 0.93 0.33 0.66 -0.73 0.00 0.00 179.01 180.20 3ii6 h SER 30 N 0.04 0.00 -4.87 1.04 4.64 -1.81 -3.41 113.55 109.17 3ii6 h SER 30 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3ii6 h SER 30 Cb 1.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 3ii6 h SER 30 CO 0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 3ii6 n GLY 31 N -1.22 -2.33 3.58 -0.77 0.00 -1.17 0.07 105.19 103.35 3ii6 n GLY 31 Ca -0.02 -2.00 -0.05 0.00 0.00 0.00 0.00 46.02 43.95 3ii6 n GLY 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ii6 s PHE 32 N -0.25 -0.17 -0.03 1.61 -0.12 -1.23 -4.22 117.98 113.58 3ii6 s PHE 32 Ca 0.00 0.13 -0.05 0.00 -0.05 0.00 0.00 56.93 56.95 3ii6 s PHE 32 Cb 0.00 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3ii6 s PHE 32 CO 0.00 -0.25 0.20 0.08 -0.05 0.00 0.00 175.22 175.21 3ii6 s VAL 33 N -2.35 5.40 -0.01 -2.49 1.01 -0.39 -2.00 120.40 119.57 3ii6 s VAL 33 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3ii6 s VAL 33 Cb -0.01 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3ii6 s VAL 33 CO -0.05 0.42 -0.02 -0.51 0.00 0.00 0.00 175.10 174.94 3ii6 s ILE 34 N -1.23 0.25 0.01 2.22 -1.16 -0.18 -0.55 121.20 120.55 3ii6 s ILE 34 Ca 0.24 -0.08 0.02 0.00 -0.51 0.00 0.00 60.65 60.32 3ii6 s ILE 34 Cb -0.13 -0.25 -0.01 0.00 0.61 0.00 0.00 42.46 42.69 3ii6 s ILE 34 CO 0.14 0.10 -0.06 -0.89 -2.81 0.00 0.00 174.94 171.42 3ii6 s THR 35 N 0.24 0.43 0.02 4.00 2.01 -0.81 -1.64 115.64 119.89 3ii6 s THR 35 Ca -0.02 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.55 3ii6 s THR 35 Cb -0.05 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 3ii6 s THR 35 CO -0.01 -0.02 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.62 3ii6 s LEU 36 N -0.51 2.12 -0.02 4.42 2.96 0.82 -1.04 118.68 127.44 3ii6 s LEU 36 Ca -0.01 -0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 3ii6 s LEU 36 Cb -0.04 -0.24 0.04 0.00 0.50 0.00 0.00 46.19 46.45 3ii6 s LEU 36 CO -0.00 -0.05 0.41 0.28 -1.32 0.00 0.00 176.35 175.68 3ii6 s THR 37 N -0.67 0.04 -2.59 3.68 -1.32 -0.02 -2.40 115.64 112.37 3ii6 s THR 37 Ca -0.03 -0.35 0.24 0.00 -1.21 0.00 0.00 61.69 60.34 3ii6 s THR 37 Cb -0.05 -0.75 0.19 0.00 -1.51 0.00 0.00 72.50 70.37 3ii6 s THR 37 CO 0.00 -0.19 1.30 -0.90 -2.21 0.00 0.00 174.62 172.61 3ii6 n ASP 38 N 1.10 2.41 0.00 8.08 5.68 -1.26 -0.74 116.55 131.82 3ii6 n ASP 38 Ca -0.21 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3ii6 n ASP 38 Cb 0.57 0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 3ii6 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ii6 n GLY 39 N 1.35 0.34 1.28 6.12 0.00 -1.26 -4.86 105.19 108.15 3ii6 n GLY 39 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3ii6 n GLY 39 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ii6 n HIS 40 N -2.00 -0.06 -4.45 1.61 -0.00 -1.26 -5.06 115.22 103.99 3ii6 n HIS 40 Ca 0.00 0.01 -0.24 0.00 -0.00 0.00 0.00 57.72 57.49 3ii6 n HIS 40 Cb 0.00 0.14 -0.10 0.00 -0.00 0.00 0.00 29.99 30.03 3ii6 n HIS 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3ii6 s SER 41 N -5.06 3.66 -0.45 0.26 0.01 -1.26 -4.60 113.70 106.27 3ii6 s SER 41 Ca 0.00 -0.98 -0.10 0.00 1.31 0.00 0.00 55.95 56.17 3ii6 s SER 41 Cb 0.00 -0.34 0.10 0.00 0.21 0.00 0.00 66.02 65.98 3ii6 s SER 41 CO 0.00 0.04 0.32 0.00 0.41 0.00 0.00 173.24 174.01 3ii6 s ALA 42 N -2.43 3.37 -0.10 1.44 0.00 -1.26 -4.01 121.76 118.76 3ii6 s ALA 42 Ca 0.29 -2.31 0.04 0.00 0.00 0.00 0.00 51.96 49.98 3ii6 s ALA 42 Cb -0.05 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.28 3ii6 s ALA 42 CO 0.15 -1.77 -0.24 -1.58 0.00 0.00 0.00 175.76 172.32 3ii6 s TRP 43 N 1.43 2.56 0.15 0.00 0.51 -1.01 -1.04 118.94 121.55 3ii6 s TRP 43 Ca 0.04 -1.07 0.00 0.00 -2.12 0.00 0.00 56.10 52.95 3ii6 s TRP 43 Cb -0.25 -1.72 -0.04 0.00 -0.81 0.00 0.00 33.47 30.65 3ii6 s TRP 43 CO 0.02 -0.44 0.04 0.99 -0.51 0.00 0.00 176.95 177.05 3ii6 s THR 44 N 0.38 0.32 -0.30 2.01 2.01 -1.26 -0.12 115.64 118.69 3ii6 s THR 44 Ca -0.18 -1.94 -0.17 0.00 0.31 0.00 0.00 61.69 59.71 3ii6 s THR 44 Cb -0.18 -2.10 0.20 0.00 0.01 0.00 0.00 72.50 70.43 3ii6 s THR 44 CO 0.08 -0.45 1.22 -0.83 -0.69 0.00 0.00 174.62 173.96 3ii6 s GLY 45 N -3.10 0.39 -0.39 4.40 0.00 -0.65 -1.60 107.32 106.37 3ii6 s GLY 45 Ca 0.25 3.66 -0.04 0.00 0.00 0.00 0.00 44.72 48.59 3ii6 s GLY 45 CO 0.03 3.00 0.17 -1.59 0.00 0.00 0.00 173.10 174.71 3ii6 s THR 46 N 1.52 3.41 -0.62 0.90 2.01 -1.26 -1.01 115.64 120.58 3ii6 s THR 46 Ca -0.05 -1.78 0.04 0.00 0.31 0.00 0.00 61.69 60.21 3ii6 s THR 46 Cb -0.02 -3.20 0.15 0.00 0.01 0.00 0.00 72.50 69.44 3ii6 s THR 46 CO -0.13 -0.53 0.39 0.68 -0.69 0.00 0.00 174.62 174.35 3ii6 s VAL 47 N 1.22 2.89 0.00 3.82 -7.23 -0.85 -5.00 120.40 115.26 3ii6 s VAL 47 Ca 0.04 -3.71 0.00 0.00 -1.81 0.00 0.00 61.98 56.50 3ii6 s VAL 47 Cb -0.22 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.78 3ii6 s VAL 47 CO -0.02 -0.90 0.00 -1.54 -0.31 0.00 0.00 175.10 172.32 3ii6 n SER 48 N 2.64 0.00 -4.57 4.85 3.41 -1.26 -3.50 113.62 115.19 3ii6 n SER 48 Ca 0.12 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 3ii6 n SER 48 Cb 0.34 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3ii6 n SER 48 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3ii6 s GLU 49 N 2.19 3.85 0.00 4.33 2.56 0.11 -0.50 118.70 131.24 3ii6 s GLU 49 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 54.97 53.25 3ii6 s GLU 49 Cb 0.00 -5.45 0.00 0.00 2.00 0.00 0.00 34.13 30.68 3ii6 s GLU 49 CO 0.00 -2.22 0.00 0.45 -0.56 0.00 0.00 175.26 172.93 3ii6 n SER 50 N 8.45 0.00 -0.00 -1.70 2.88 -1.26 -4.88 113.62 117.11 3ii6 n SER 50 Ca 0.43 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 58.00 3ii6 n SER 50 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 3ii6 n SER 50 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3ii6 n GLU 51 N 0.00 2.76 0.27 -1.46 0.28 -1.23 -4.00 120.64 117.25 3ii6 n GLU 51 Ca 0.00 -0.03 -0.17 0.00 -0.16 0.00 0.00 57.16 56.80 3ii6 n GLU 51 Cb 0.00 -0.96 -0.09 0.00 1.43 0.00 0.00 31.44 31.82 3ii6 n GLU 51 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 3ii6 h ILE 52 N 0.00 0.16 -0.10 3.84 2.10 -1.08 -3.04 117.51 119.39 3ii6 h ILE 52 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3ii6 h ILE 52 Cb 0.22 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.11 3ii6 h ILE 52 CO 0.00 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.53 3ii6 n SER 53 N -5.51 1.14 0.03 2.19 3.41 -1.26 -2.62 113.62 110.99 3ii6 n SER 53 Ca -0.11 -1.58 0.12 0.00 -0.26 0.00 0.00 58.87 57.04 3ii6 n SER 53 Cb 0.41 -0.06 0.18 0.00 -0.26 0.00 0.00 64.21 64.48 3ii6 n SER 53 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3ii6 n GLN 54 N -0.05 0.18 -0.03 4.33 -0.06 -1.21 -4.00 117.38 116.55 3ii6 n GLN 54 Ca 0.16 0.04 -0.13 0.00 -2.00 0.00 0.00 57.00 55.07 3ii6 n GLN 54 Cb 0.25 -1.60 -0.09 0.00 -4.06 0.00 0.00 30.24 24.74 3ii6 n GLN 54 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 3ii6 h GLU 55 N 0.00 0.11 0.00 3.69 4.39 -1.38 -2.29 114.58 119.10 3ii6 h GLU 55 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3ii6 h GLU 55 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3ii6 h GLU 55 CO 0.00 0.56 0.00 0.00 -1.16 0.00 0.00 179.01 178.41 3ii6 n ALA 56 N -2.37 2.51 -0.07 3.43 0.00 -1.26 -1.62 120.51 121.14 3ii6 n ALA 56 Ca -0.08 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 3ii6 n ALA 56 Cb 0.28 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 3ii6 n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ii6 n ASP 57 N -0.86 1.25 0.06 0.00 -0.08 -1.21 0.25 116.55 115.95 3ii6 n ASP 57 Ca 0.15 0.14 0.09 0.00 -1.51 0.00 0.00 54.79 53.67 3ii6 n ASP 57 Cb 0.07 -0.38 0.39 0.00 2.34 0.00 0.00 41.12 43.54 3ii6 n ASP 57 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3ii6 n ASP 58 N -3.53 0.31 -0.50 1.67 2.03 -0.86 -1.30 116.55 114.37 3ii6 n ASP 58 Ca -0.27 0.58 0.07 0.00 0.52 0.00 0.00 54.79 55.69 3ii6 n ASP 58 Cb 0.70 -0.64 0.04 0.00 -0.72 0.00 0.00 41.12 40.50 3ii6 n ASP 58 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3ii6 n MET 59 N -1.85 1.34 -1.33 -0.67 2.81 -0.64 -5.02 117.12 111.77 3ii6 n MET 59 Ca 0.03 -1.16 -0.11 0.00 -1.81 0.00 0.00 57.70 54.64 3ii6 n MET 59 Cb 0.20 -1.26 -0.05 0.00 -0.71 0.00 0.00 33.22 31.40 3ii6 n MET 59 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3ii6 n GLU 60 N 0.49 -1.50 -4.15 0.03 2.13 -0.42 -4.96 120.64 112.25 3ii6 n GLU 60 Ca 0.08 0.88 -0.22 0.00 0.66 0.00 0.00 57.16 58.56 3ii6 n GLU 60 Cb 0.35 -5.20 -0.05 0.00 0.27 0.00 0.00 31.44 26.81 3ii6 n GLU 60 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 3ii6 s MET 61 N -2.88 2.71 -0.47 5.31 1.75 0.68 -4.90 119.30 121.50 3ii6 s MET 61 Ca 0.00 -1.19 -0.43 0.00 -1.25 0.00 0.00 55.69 52.82 3ii6 s MET 61 Cb 0.00 -2.43 -0.18 0.00 2.84 0.00 0.00 34.83 35.06 3ii6 s MET 61 CO 0.00 0.36 2.07 0.39 -0.65 0.00 0.00 175.02 177.19 3ii6 n GLU 62 N -1.11 0.22 -0.17 4.11 -0.58 -1.26 -4.66 120.64 117.18 3ii6 n GLU 62 Ca -0.07 0.06 0.26 0.00 -0.42 0.00 0.00 57.16 56.99 3ii6 n GLU 62 Cb 0.58 -1.68 0.39 0.00 -0.57 0.00 0.00 31.44 30.17 3ii6 n GLU 62 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ii6 n LYS 63 N 7.11 0.02 0.41 3.49 5.02 -1.26 -3.37 118.16 129.58 3ii6 n LYS 63 Ca 0.49 1.02 -0.18 0.00 -2.02 0.00 0.00 58.31 57.61 3ii6 n LYS 63 Cb 0.01 -2.55 -0.09 0.00 -0.02 0.00 0.00 35.03 32.38 3ii6 n LYS 63 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3ii6 h GLY 64 N 0.00 -1.26 -3.39 0.72 0.00 -1.98 0.42 103.07 97.57 3ii6 h GLY 64 Ca 0.45 0.51 -0.17 0.00 0.00 0.00 0.00 47.33 48.12 3ii6 h GLY 64 CO -0.00 -0.43 0.20 0.58 0.00 0.00 0.00 176.54 176.88 3ii6 n LYS 65 N -5.28 3.71 0.00 4.80 0.00 -1.24 -1.12 118.16 119.03 3ii6 n LYS 65 Ca -0.14 -3.09 0.00 0.00 -0.00 0.00 0.00 58.31 55.08 3ii6 n LYS 65 Cb 0.46 -2.17 0.00 0.00 -0.00 0.00 0.00 35.03 33.32 3ii6 n LYS 65 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3ii6 n TYR 66 N -0.15 0.00 -0.11 5.58 9.36 -0.94 -3.89 117.16 127.02 3ii6 n TYR 66 Ca 0.37 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.57 3ii6 n TYR 66 Cb 1.31 -0.01 -0.02 0.00 -0.63 0.00 0.00 39.34 39.99 3ii6 n TYR 66 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3ii6 n VAL 67 N -1.28 -0.17 0.51 2.97 0.31 0.14 0.14 118.33 120.95 3ii6 n VAL 67 Ca 0.00 0.66 0.12 0.00 -0.01 0.00 0.00 64.34 65.11 3ii6 n VAL 67 Cb 0.00 -0.83 0.46 0.00 -0.91 0.00 0.00 33.84 32.56 3ii6 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ii6 n GLY 68 N -1.09 -1.40 0.11 2.92 0.00 -0.28 -1.51 105.19 103.95 3ii6 n GLY 68 Ca 0.01 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 3ii6 n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ii6 n GLU 69 N -2.15 0.70 0.19 1.61 -0.58 0.38 -2.93 120.64 117.86 3ii6 n GLU 69 Ca 0.04 0.28 -0.08 0.00 -0.42 0.00 0.00 57.16 56.98 3ii6 n GLU 69 Cb 0.29 -1.75 -0.04 0.00 -0.57 0.00 0.00 31.44 29.38 3ii6 n GLU 69 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3ii6 h LEU 70 N 0.04 -0.42 -1.89 -4.62 3.38 0.05 -0.10 115.31 111.76 3ii6 h LEU 70 Ca -0.36 0.01 0.30 0.00 0.09 0.00 0.00 57.88 57.93 3ii6 h LEU 70 Cb 2.03 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.84 3ii6 h LEU 70 CO 0.09 -0.22 0.84 0.08 0.09 0.00 0.00 178.44 179.31 3ii6 h ARG 71 N -0.65 0.00 0.08 1.13 0.11 -1.45 2.29 114.38 115.89 3ii6 h ARG 71 Ca -0.05 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 3ii6 h ARG 71 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3ii6 h ARG 71 CO 0.08 0.00 -0.04 0.87 0.10 0.00 0.00 179.97 180.99 3ii6 h LYS 72 N 0.00 -0.10 0.00 0.08 1.57 -1.57 -2.79 116.57 113.76 3ii6 h LYS 72 Ca 0.50 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 3ii6 h LYS 72 Cb 2.16 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.50 3ii6 h LYS 72 CO -0.01 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 3ii6 n ALA 73 N -2.57 1.43 0.01 3.86 0.00 0.10 -3.46 120.51 119.88 3ii6 n ALA 73 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3ii6 n ALA 73 Cb 0.29 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3ii6 n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ii6 n LEU 74 N -1.71 0.10 -1.44 0.00 4.77 0.73 -4.61 117.00 114.84 3ii6 n LEU 74 Ca 0.02 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 3ii6 n LEU 74 Cb 0.12 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3ii6 n LEU 74 CO 0.11 -0.19 0.87 0.18 -1.33 0.00 0.00 177.39 177.02 3ii6 n LEU 75 N -2.97 4.75 -0.10 2.23 4.77 -1.05 -4.95 117.00 119.68 3ii6 n LEU 75 Ca 0.00 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 3ii6 n LEU 75 Cb 0.34 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3ii6 n LEU 75 CO 0.00 0.85 -0.03 -1.20 -1.33 0.00 0.00 177.39 175.68 3ii6 n SER 76 N 0.60 -1.75 -2.51 -1.43 7.64 -1.22 -4.91 113.62 110.05 3ii6 n SER 76 Ca 0.12 0.07 -0.05 0.00 1.01 0.00 0.00 58.87 60.02 3ii6 n SER 76 Cb 0.63 0.66 -0.04 0.00 -1.01 0.00 0.00 64.21 64.45 3ii6 n SER 76 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ii6 n ASP 82 N -0.83 1.75 -2.67 6.43 9.92 -1.26 -4.71 116.55 125.19 3ii6 n ASP 82 Ca 0.00 -1.87 -0.09 0.00 -0.53 0.00 0.00 54.79 52.30 3ii6 n ASP 82 Cb 0.00 -0.50 0.03 0.00 -0.64 0.00 0.00 41.12 40.01 3ii6 n ASP 82 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3ii6 n VAL 83 N 3.21 1.06 -4.51 2.53 0.31 -1.26 -4.92 118.33 114.75 3ii6 n VAL 83 Ca 0.15 -3.11 -0.30 0.00 -0.01 0.00 0.00 64.34 61.07 3ii6 n VAL 83 Cb 0.23 0.65 -0.05 0.00 -0.91 0.00 0.00 33.84 33.76 3ii6 n VAL 83 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3ii6 n TYR 84 N -0.12 0.69 -3.65 3.52 4.01 -1.26 -3.14 117.16 117.21 3ii6 n TYR 84 Ca 0.10 -2.38 -0.04 0.00 -0.16 0.00 0.00 57.90 55.42 3ii6 n TYR 84 Cb 0.81 -0.35 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 3ii6 n TYR 84 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3ii6 s THR 85 N -2.74 -0.66 -0.07 -0.72 -1.32 -1.25 -4.92 115.64 103.98 3ii6 s THR 85 Ca 0.08 0.03 0.03 0.00 -1.21 0.00 0.00 61.69 60.62 3ii6 s THR 85 Cb -0.01 -0.92 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 3ii6 s THR 85 CO 0.05 0.01 -0.13 -0.36 -2.21 0.00 0.00 174.62 171.98 3ii6 s PHE 86 N 2.48 2.75 -0.08 9.09 0.40 -1.26 -3.14 117.98 128.22 3ii6 s PHE 86 Ca -0.06 -0.22 -0.07 0.00 -0.60 0.00 0.00 56.93 55.98 3ii6 s PHE 86 Cb -0.10 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.78 3ii6 s PHE 86 CO -0.18 0.14 0.21 -0.80 0.70 0.00 0.00 175.22 175.29 3ii6 s ASN 87 N -0.55 -0.22 -0.08 1.36 0.02 -0.09 -1.30 114.94 114.08 3ii6 s ASN 87 Ca 0.08 0.43 -0.09 0.00 -1.02 0.00 0.00 52.86 52.25 3ii6 s ASN 87 Cb -0.12 0.41 0.02 0.00 0.02 0.00 0.00 41.25 41.59 3ii6 s ASN 87 CO 0.01 -0.09 0.25 0.12 0.02 0.00 0.00 177.10 177.41 3ii6 s PHE 88 N 0.36 -0.24 -0.07 2.20 5.36 -1.26 -0.34 117.98 123.99 3ii6 s PHE 88 Ca -0.02 0.57 0.03 0.00 -0.96 0.00 0.00 56.93 56.54 3ii6 s PHE 88 Cb -0.03 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.74 3ii6 s PHE 88 CO -0.01 -0.17 -0.15 -1.12 -1.46 0.00 0.00 175.22 172.30 3ii6 s SER 89 N -0.14 2.08 0.40 6.13 0.01 -0.54 -4.90 113.70 116.74 3ii6 s SER 89 Ca -0.03 -0.36 0.08 0.00 1.31 0.00 0.00 55.95 56.95 3ii6 s SER 89 Cb -0.03 -0.92 0.83 0.00 0.21 0.00 0.00 66.02 66.11 3ii6 s SER 89 CO 0.01 0.07 2.00 0.11 0.41 0.00 0.00 173.24 175.84 3ii6 h LYS 90 N 6.84 0.43 -0.05 12.44 1.57 -1.93 1.39 116.57 137.26 3ii6 h LYS 90 Ca -0.28 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.39 3ii6 h LYS 90 Cb 1.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3ii6 h LYS 90 CO 0.47 0.37 -0.18 0.93 -0.57 0.00 0.00 179.45 180.48 3ii6 h GLU 91 N 0.44 0.21 0.01 3.15 3.07 -1.99 -3.38 114.58 116.10 3ii6 h GLU 91 Ca 0.11 -0.16 -0.18 0.00 -0.50 0.00 0.00 59.36 58.63 3ii6 h GLU 91 Cb 0.10 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3ii6 h GLU 91 CO -0.01 0.79 -0.96 0.66 -1.40 0.00 0.00 179.01 178.08 3ii6 h SER 92 N -0.32 0.05 0.00 1.42 4.64 -1.97 -3.49 113.55 113.88 3ii6 h SER 92 Ca -0.01 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 3ii6 h SER 92 Cb 0.80 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3ii6 h SER 92 CO 0.04 1.38 0.00 0.00 -0.87 0.00 0.00 176.83 177.38 3ii6 n TYR 94 N -2.00 2.25 -4.04 0.00 9.36 -1.24 -2.24 117.16 119.24 3ii6 n TYR 94 Ca 0.00 0.15 -0.31 0.00 3.32 0.00 0.00 57.90 61.06 3ii6 n TYR 94 Cb 0.00 -2.60 -0.16 0.00 -0.63 0.00 0.00 39.34 35.95 3ii6 n TYR 94 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 3ii6 s PHE 95 N 2.94 2.45 0.15 2.98 2.19 0.40 -1.47 117.98 127.63 3ii6 s PHE 95 Ca 0.89 -1.49 0.08 0.00 0.33 0.00 0.00 56.93 56.73 3ii6 s PHE 95 Cb -0.73 -1.71 -0.04 0.00 -1.31 0.00 0.00 43.02 39.23 3ii6 s PHE 95 CO 0.49 -0.74 -0.17 -0.59 1.83 0.00 0.00 175.22 176.04 3ii6 s PHE 96 N 1.39 1.67 -0.01 10.12 -0.12 0.54 -0.17 117.98 131.41 3ii6 s PHE 96 Ca 0.02 -0.50 -0.03 0.00 -0.05 0.00 0.00 56.93 56.38 3ii6 s PHE 96 Cb -0.14 -0.85 -0.00 0.00 -0.63 0.00 0.00 43.02 41.40 3ii6 s PHE 96 CO -0.10 0.26 0.05 -0.59 -0.05 0.00 0.00 175.22 174.79 3ii6 s PHE 97 N -2.06 0.05 -0.00 3.49 -0.71 -0.64 -0.91 117.98 117.20 3ii6 s PHE 97 Ca 0.13 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.92 3ii6 s PHE 97 Cb -0.06 -0.06 -0.00 0.00 -1.21 0.00 0.00 43.02 41.70 3ii6 s PHE 97 CO 0.05 -0.14 -0.01 -1.83 -1.34 0.00 0.00 175.22 171.95 3ii6 s GLU 98 N -0.72 0.12 -0.37 1.99 1.03 -1.19 -2.01 118.70 117.55 3ii6 s GLU 98 Ca -0.08 -0.05 -0.28 0.00 0.03 0.00 0.00 54.97 54.58 3ii6 s GLU 98 Cb -0.05 -0.12 -0.01 0.00 -0.80 0.00 0.00 34.13 33.15 3ii6 s GLU 98 CO 0.00 0.03 1.69 0.21 -1.33 0.00 0.00 175.26 175.86 3ii6 s LYS 99 N -0.03 3.36 -0.38 -4.83 2.20 -1.00 -3.80 119.74 115.25 3ii6 s LYS 99 Ca 0.01 1.23 -0.25 0.00 -0.36 0.00 0.00 55.97 56.59 3ii6 s LYS 99 Cb -0.01 -4.16 0.02 0.00 -1.51 0.00 0.00 37.83 32.17 3ii6 s LYS 99 CO -0.00 -1.83 0.90 -0.80 -0.36 0.00 0.00 175.35 173.25 3ii6 s ASN 100 N 5.60 6.63 0.54 1.43 0.01 -1.19 -3.07 114.94 124.90 3ii6 s ASN 100 Ca 0.74 0.47 0.09 0.00 -0.71 0.00 0.00 52.86 53.44 3ii6 s ASN 100 Cb -0.19 -2.45 0.07 0.00 0.41 0.00 0.00 41.25 39.09 3ii6 s ASN 100 CO 0.32 -0.86 0.72 -0.76 -1.51 0.00 0.00 177.10 175.01 3ii6 s LEU 101 N 3.44 3.16 -0.41 0.60 1.43 -1.24 -4.90 118.68 120.76 3ii6 s LEU 101 Ca 0.37 -0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 3ii6 s LEU 101 Cb -0.12 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3ii6 s LEU 101 CO 0.19 -1.22 1.77 -0.75 0.23 0.00 0.00 176.35 176.58 3ii6 s LYS 102 N -4.57 3.19 0.00 1.70 2.20 -1.26 -4.20 119.74 116.79 3ii6 s LYS 102 Ca 0.58 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.37 3ii6 s LYS 102 Cb -0.06 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.03 3ii6 s LYS 102 CO 0.36 -2.04 0.00 -0.25 -0.36 0.00 0.00 175.35 173.06 3ii6 n ASP 103 N 10.75 0.00 -2.49 1.43 8.00 -1.26 -4.93 116.55 128.05 3ii6 n ASP 103 Ca 0.22 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.68 3ii6 n ASP 103 Cb 0.48 -2.21 0.00 0.00 -0.02 0.00 0.00 41.12 39.38 3ii6 n ASP 103 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3ii6 n VAL 104 N -2.00 0.00 -3.60 2.53 0.24 -1.26 -5.18 118.33 109.06 3ii6 n VAL 104 Ca 0.00 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 3ii6 n VAL 104 Cb 0.00 -0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 31.75 3ii6 n VAL 104 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ii6 s SER 105 N -1.57 -0.39 0.35 -1.34 0.15 -1.26 -3.73 113.70 105.91 3ii6 s SER 105 Ca 0.07 0.57 -0.13 0.00 0.70 0.00 0.00 55.95 57.16 3ii6 s SER 105 Cb -0.01 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 3ii6 s SER 105 CO 0.04 -0.26 0.68 0.72 1.20 0.00 0.00 173.24 175.62 3ii6 s PHE 106 N -0.57 0.30 -0.14 3.44 -0.12 -1.17 -4.99 117.98 114.73 3ii6 s PHE 106 Ca 0.00 -0.82 -0.10 0.00 -0.05 0.00 0.00 56.93 55.97 3ii6 s PHE 106 Cb -0.02 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.87 3ii6 s PHE 106 CO -0.02 -1.36 0.19 0.50 -0.05 0.00 0.00 175.22 174.48 3ii6 s ARG 107 N -2.91 3.87 -0.01 1.99 6.06 -1.26 -2.38 118.95 124.31 3ii6 s ARG 107 Ca 0.19 -0.06 -0.00 0.00 -2.50 0.00 0.00 55.73 53.35 3ii6 s ARG 107 Cb -0.04 -3.31 -0.01 0.00 0.06 0.00 0.00 34.95 31.66 3ii6 s ARG 107 CO 0.12 0.52 -0.01 -0.11 -2.50 0.00 0.00 175.30 173.32 3ii6 n LEU 108 N 2.74 2.25 -3.58 -0.88 7.94 -1.16 -4.89 117.00 119.42 3ii6 n LEU 108 Ca -0.17 -0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.68 3ii6 n LEU 108 Cb 0.53 -0.04 -0.02 0.00 0.53 0.00 0.00 43.42 44.42 3ii6 n LEU 108 CO 0.35 0.39 0.92 -0.83 -1.11 0.00 0.00 177.39 177.12 3ii6 s GLY 109 N -4.35 -0.34 -0.33 -3.96 0.00 -0.85 -5.02 107.32 92.47 3ii6 s GLY 109 Ca -0.02 1.36 -0.08 0.00 0.00 0.00 0.00 44.72 45.99 3ii6 s GLY 109 CO 0.03 0.44 1.00 -1.35 0.00 0.00 0.00 173.10 173.22 3ii6 s SER 110 N -2.32 -0.48 0.11 1.64 1.04 -1.25 -1.63 113.70 110.82 3ii6 s SER 110 Ca 0.09 -0.19 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 3ii6 s SER 110 Cb -0.01 0.72 -0.06 0.00 0.10 0.00 0.00 66.02 66.77 3ii6 s SER 110 CO -0.06 -0.06 1.15 -0.36 0.98 0.00 0.00 173.24 174.90 3ii6 s PHE 111 N 2.12 3.50 -1.22 5.02 0.40 0.76 -4.79 117.98 123.78 3ii6 s PHE 111 Ca 0.17 1.45 -0.17 0.00 -0.60 0.00 0.00 56.93 57.77 3ii6 s PHE 111 Cb 0.01 -3.35 0.10 0.00 0.51 0.00 0.00 43.02 40.30 3ii6 s PHE 111 CO -0.16 -0.96 1.57 -0.80 0.70 0.00 0.00 175.22 175.58 3ii6 s ASN 112 N 0.52 6.86 1.22 1.36 0.01 -1.26 0.15 114.94 123.81 3ii6 s ASN 112 Ca 0.54 -2.49 -0.14 0.00 -0.71 0.00 0.00 52.86 50.06 3ii6 s ASN 112 Cb -0.29 -2.51 0.31 0.00 0.41 0.00 0.00 41.25 39.16 3ii6 s ASN 112 CO 0.32 -1.07 1.01 -0.76 -1.51 0.00 0.00 177.10 175.09 3ii6 s LEU 113 N 3.38 0.40 -0.37 0.60 1.43 -0.95 -4.93 118.68 118.23 3ii6 s LEU 113 Ca 0.48 1.37 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 3ii6 s LEU 113 Cb 0.01 -3.17 0.16 0.00 0.03 0.00 0.00 46.19 43.21 3ii6 s LEU 113 CO 0.02 -4.47 0.38 -1.61 0.23 0.00 0.00 176.35 170.90 3ii6 s GLU 114 N -4.55 0.63 1.32 1.70 2.02 -0.63 -4.70 118.70 114.49 3ii6 s GLU 114 Ca 0.69 -0.83 -0.18 0.00 0.02 0.00 0.00 54.97 54.67 3ii6 s GLU 114 Cb -0.23 -0.70 0.33 0.00 0.10 0.00 0.00 34.13 33.62 3ii6 s GLU 114 CO 0.64 -1.19 0.89 0.36 0.02 0.00 0.00 175.26 175.98 3ii6 n LYS 115 N 4.28 -3.61 -4.60 1.61 2.85 -1.26 -4.33 118.16 113.11 3ii6 n LYS 115 Ca 0.11 -1.05 -0.28 0.00 -1.05 0.00 0.00 58.31 56.04 3ii6 n LYS 115 Cb 0.45 -2.01 -0.08 0.00 -0.65 0.00 0.00 35.03 32.74 3ii6 n LYS 115 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3ii6 s VAL 116 N -2.25 0.90 -0.14 0.58 1.01 -0.21 -4.81 120.40 115.48 3ii6 s VAL 116 Ca 0.67 -2.00 0.21 0.00 0.00 0.00 0.00 61.98 60.86 3ii6 s VAL 116 Cb -0.19 -2.34 -0.17 0.00 0.00 0.00 0.00 36.38 33.68 3ii6 s VAL 116 CO 0.61 0.00 0.73 -0.62 0.00 0.00 0.00 175.10 175.82 3ii6 n GLU 117 N -1.02 0.63 -3.54 2.72 -0.58 -1.26 -4.55 120.64 113.04 3ii6 n GLU 117 Ca -0.10 0.02 -0.41 0.00 -0.42 0.00 0.00 57.16 56.24 3ii6 n GLU 117 Cb 0.66 -1.69 -0.09 0.00 -0.57 0.00 0.00 31.44 29.75 3ii6 n GLU 117 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3ii6 s ASN 118 N -5.15 5.77 0.00 1.62 0.02 -1.26 -4.90 114.94 111.04 3ii6 s ASN 118 Ca -0.04 -1.60 0.24 0.00 -1.02 0.00 0.00 52.86 50.43 3ii6 s ASN 118 Cb 0.11 -2.04 1.20 0.00 0.02 0.00 0.00 41.25 40.53 3ii6 s ASN 118 CO 0.84 -0.62 1.78 -0.81 0.02 0.00 0.00 177.10 178.31 3ii6 n PRO 119 N 4.98 0.34 -0.13 -0.60 -0.05 -1.26 -3.58 135.00 134.70 3ii6 n PRO 119 Ca -0.10 0.06 -0.28 0.00 -0.05 0.00 0.00 63.50 63.13 3ii6 n PRO 119 Cb 0.42 -1.50 -0.09 0.00 -0.05 0.00 0.00 33.50 32.28 3ii6 n PRO 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ii6 n ALA 120 N -1.28 1.24 0.10 0.55 0.00 -1.26 -3.64 120.51 116.22 3ii6 n ALA 120 Ca 0.11 -1.05 0.19 0.00 0.00 0.00 0.00 53.44 52.69 3ii6 n ALA 120 Cb 0.19 0.14 0.65 0.00 0.00 0.00 0.00 19.45 20.43 3ii6 n ALA 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ii6 h GLU 121 N -0.97 0.00 0.05 0.00 4.81 -1.98 0.52 114.58 117.01 3ii6 h GLU 121 Ca -0.64 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.24 3ii6 h GLU 121 Cb 1.56 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.90 3ii6 h GLU 121 CO -0.39 0.00 -1.98 0.28 -0.73 0.00 0.00 179.01 176.20 3ii6 n VAL 122 N -3.36 1.62 0.17 0.32 0.31 -1.23 -3.07 118.33 113.09 3ii6 n VAL 122 Ca 0.08 -0.43 0.02 0.00 -0.01 0.00 0.00 64.34 64.00 3ii6 n VAL 122 Cb 0.77 -1.78 0.33 0.00 -0.91 0.00 0.00 33.84 32.25 3ii6 n VAL 122 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3ii6 h ILE 123 N -0.40 1.29 0.43 2.52 2.04 -1.44 -3.15 117.51 118.79 3ii6 h ILE 123 Ca -0.48 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 63.99 3ii6 h ILE 123 Cb 1.74 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 3ii6 h ILE 123 CO -0.11 0.39 -0.21 0.03 0.00 0.00 0.00 178.15 178.26 3ii6 h ARG 124 N 0.02 -0.56 0.00 2.37 3.08 -0.13 -1.04 114.38 118.12 3ii6 h ARG 124 Ca -0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ii6 h ARG 124 Cb 0.71 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3ii6 h ARG 124 CO 0.05 -0.32 0.00 0.93 -1.07 0.00 0.00 179.97 179.56 3ii6 h GLU 125 N -0.67 0.00 0.00 0.04 3.07 -1.53 -1.96 114.58 113.53 3ii6 h GLU 125 Ca -0.06 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.48 3ii6 h GLU 125 Cb 0.49 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.34 3ii6 h GLU 125 CO 0.10 0.00 -2.22 -0.11 -1.40 0.00 0.00 179.01 175.38 3ii6 n LEU 126 N -2.91 2.67 -0.29 1.33 0.00 -1.16 -2.69 117.00 113.95 3ii6 n LEU 126 Ca -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 56.01 55.83 3ii6 n LEU 126 Cb 0.07 -0.63 0.07 0.00 0.00 0.00 0.00 43.42 42.93 3ii6 n LEU 126 CO 0.18 0.82 1.08 0.40 0.00 0.00 0.00 177.39 179.86 3ii6 h ILE 127 N 0.00 1.25 0.09 1.96 2.04 -1.07 -3.07 117.51 118.72 3ii6 h ILE 127 Ca -0.48 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 64.65 3ii6 h ILE 127 Cb 1.77 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3ii6 h ILE 127 CO -0.06 0.31 -0.16 0.00 0.00 0.00 0.00 178.15 178.24 3ii6 h TYR 129 N -0.31 -0.86 0.24 0.00 3.20 -1.49 0.42 116.97 118.17 3ii6 h TYR 129 Ca 0.02 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3ii6 h TYR 129 Cb 0.33 0.47 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 3ii6 h TYR 129 CO -0.17 -0.37 -0.40 0.00 -1.64 0.00 0.00 178.16 175.58 3ii6 h LEU 131 N -0.71 0.68 -0.21 0.00 3.38 -0.61 0.96 115.31 118.80 3ii6 h LEU 131 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ii6 h LEU 131 Cb 0.69 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3ii6 h LEU 131 CO -0.16 0.47 0.02 0.44 0.09 0.00 0.00 178.44 179.30 3ii6 h ASP 132 N 0.82 0.35 -0.23 -0.43 5.19 -0.06 0.37 116.42 122.42 3ii6 h ASP 132 Ca 0.28 -0.28 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 3ii6 h ASP 132 Cb 0.05 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.46 3ii6 h ASP 132 CO -0.12 0.54 -0.38 0.74 -3.12 0.00 0.00 179.24 176.90 3ii6 h THR 133 N 0.14 1.32 -0.51 0.35 2.02 -0.56 -1.00 112.91 114.67 3ii6 h THR 133 Ca 0.06 -1.59 -0.03 0.00 0.77 0.00 0.00 66.41 65.62 3ii6 h THR 133 Cb 0.35 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3ii6 h THR 133 CO 0.01 0.50 0.18 0.00 0.37 0.00 0.00 175.52 176.58 3ii6 h THR 134 N 0.36 1.22 -0.03 3.16 1.03 0.99 -2.57 112.91 117.07 3ii6 h THR 134 Ca 0.02 -0.72 -0.13 0.00 -0.01 0.00 0.00 66.41 65.57 3ii6 h THR 134 Cb 0.97 0.74 -0.01 0.00 -1.07 0.00 0.00 68.15 68.77 3ii6 h THR 134 CO 0.09 0.27 -0.57 0.00 -0.01 0.00 0.00 175.52 175.29 3ii6 h ALA 135 N 1.03 0.99 -0.57 0.00 0.00 -0.01 -2.38 119.26 118.32 3ii6 h ALA 135 Ca 0.17 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3ii6 h ALA 135 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ii6 h ALA 135 CO -0.01 0.71 0.29 1.49 0.00 0.00 0.00 179.25 181.73 3ii6 h GLU 136 N 0.08 0.81 -0.06 0.00 4.81 -1.12 -2.83 114.58 116.27 3ii6 h GLU 136 Ca -0.00 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 3ii6 h GLU 136 Cb 1.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 3ii6 h GLU 136 CO 0.08 0.65 -0.62 -0.91 -0.73 0.00 0.00 179.01 177.48 3ii6 h ASN 137 N 0.77 0.26 -0.48 1.04 2.35 -1.25 -2.98 115.58 115.29 3ii6 h ASN 137 Ca 0.20 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3ii6 h ASN 137 Cb 0.09 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3ii6 h ASN 137 CO -0.03 0.81 0.15 1.56 -1.65 0.00 0.00 177.43 178.27 3ii6 h GLN 138 N 0.17 0.75 -0.02 0.81 4.20 -1.24 0.21 115.11 119.97 3ii6 h GLN 138 Ca -0.01 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.56 3ii6 h GLN 138 Cb 1.13 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 3ii6 h GLN 138 CO 0.10 0.71 -0.15 0.00 -0.67 0.00 0.00 178.83 178.82 3ii6 h ALA 139 N 1.00 -0.15 -0.70 3.87 0.00 -1.43 -2.00 119.26 119.85 3ii6 h ALA 139 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ii6 h ALA 139 Cb 0.28 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ii6 h ALA 139 CO -0.00 -0.63 0.45 0.87 0.00 0.00 0.00 179.25 179.93 3ii6 h LYS 140 N -0.23 0.93 -0.46 0.00 1.57 -1.37 -1.31 116.57 115.70 3ii6 h LYS 140 Ca 0.06 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3ii6 h LYS 140 Cb 0.31 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3ii6 h LYS 140 CO -0.16 0.63 0.04 -0.91 -0.57 0.00 0.00 179.45 178.49 3ii6 h ASN 141 N 0.94 0.68 -0.34 0.86 2.35 -0.50 0.33 115.58 119.90 3ii6 h ASN 141 Ca 0.25 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3ii6 h ASN 141 Cb -0.08 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3ii6 h ASN 141 CO -0.05 0.72 0.02 -0.33 -1.65 0.00 0.00 177.43 176.14 3ii6 h GLU 142 N 0.69 0.59 -0.24 0.81 5.08 -0.60 -1.19 114.58 119.72 3ii6 h GLU 142 Ca 0.14 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3ii6 h GLU 142 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3ii6 h GLU 142 CO 0.01 0.70 0.02 0.45 -1.00 0.00 0.00 179.01 179.19 3ii6 h HIS 143 N 0.41 0.45 -0.13 4.33 3.86 -0.54 -2.64 115.15 120.89 3ii6 h HIS 143 Ca 0.10 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3ii6 h HIS 143 Cb 0.42 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 3ii6 h HIS 143 CO 0.03 0.57 0.09 -0.07 0.86 0.00 0.00 177.93 179.41 3ii6 h LEU 144 N 0.21 0.14 -0.13 2.43 3.38 -0.36 0.11 115.31 121.08 3ii6 h LEU 144 Ca 0.07 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 3ii6 h LEU 144 Cb 0.38 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3ii6 h LEU 144 CO 0.01 0.10 -0.99 -0.61 0.09 0.00 0.00 178.44 177.03 3ii6 h GLN 145 N 0.16 0.24 0.06 1.13 5.75 -0.86 -1.38 115.11 120.21 3ii6 h GLN 145 Ca 0.05 -0.31 -0.24 0.00 -0.15 0.00 0.00 58.65 58.01 3ii6 h GLN 145 Cb 0.01 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 3ii6 h GLN 145 CO -0.01 1.06 -1.07 0.87 -2.65 0.00 0.00 178.83 177.03 3ii6 h LYS 146 N 0.11 0.25 -1.01 1.69 1.79 -1.20 -2.54 116.57 115.67 3ii6 h LYS 146 Ca -0.07 -0.35 0.05 0.00 -2.18 0.00 0.00 60.65 58.10 3ii6 h LYS 146 Cb 1.66 0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 32.37 3ii6 h LYS 146 CO 0.16 1.11 0.65 0.93 -1.08 0.00 0.00 179.45 181.22 3ii6 h GLU 147 N 0.11 1.19 0.08 3.15 5.08 -0.60 -2.67 114.58 120.92 3ii6 h GLU 147 Ca -0.09 -0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 57.93 3ii6 h GLU 147 Cb 1.76 -0.27 0.03 0.00 0.50 0.00 0.00 28.75 30.76 3ii6 h GLU 147 CO 0.17 0.79 -1.10 -0.91 -1.00 0.00 0.00 179.01 176.95 3ii6 h ASN 148 N 1.22 0.83 -0.84 1.42 2.35 -1.13 -0.50 115.58 118.93 3ii6 h ASN 148 Ca 0.42 -0.81 0.13 0.00 -0.55 0.00 0.00 56.30 55.49 3ii6 h ASN 148 Cb 0.09 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.14 3ii6 h ASN 148 CO -0.15 1.54 0.55 -0.33 -1.65 0.00 0.00 177.43 177.39 3ii6 h GLU 149 N 0.22 0.62 0.01 0.81 5.08 -1.54 0.94 114.58 120.72 3ii6 h GLU 149 Ca -0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3ii6 h GLU 149 Cb 1.79 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.90 3ii6 h GLU 149 CO 0.21 0.41 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.54 3ii6 h ARG 150 N 0.64 -0.02 -0.69 2.33 2.43 -0.94 -1.85 114.38 116.29 3ii6 h ARG 150 Ca 0.41 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.73 3ii6 h ARG 150 Cb 0.68 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.11 3ii6 h ARG 150 CO -0.17 0.56 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.63 3ii6 h LEU 151 N -0.60 -0.59 -0.84 3.80 3.38 -0.94 -0.86 115.31 118.66 3ii6 h LEU 151 Ca -0.00 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3ii6 h LEU 151 Cb 0.58 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3ii6 h LEU 151 CO 0.00 -0.22 0.55 0.25 0.09 0.00 0.00 178.44 179.11 3ii6 h LEU 152 N 0.01 0.98 0.62 1.67 5.85 -0.88 -1.80 115.31 121.76 3ii6 h LEU 152 Ca 0.34 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 3ii6 h LEU 152 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3ii6 h LEU 152 CO -0.70 0.72 -0.46 -0.09 -0.34 0.00 0.00 178.44 177.57 3ii6 h ARG 153 N 1.14 -1.00 -0.69 1.25 2.43 -0.93 -2.16 114.38 114.43 3ii6 h ARG 153 Ca 0.31 0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.70 3ii6 h ARG 153 Cb -0.11 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3ii6 h ARG 153 CO -0.06 -0.67 0.47 -0.44 -1.51 0.00 0.00 179.97 177.76 3ii6 h ASP 154 N -1.04 0.26 0.23 -3.80 3.32 -1.06 -0.31 116.42 114.03 3ii6 h ASP 154 Ca -0.08 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 3ii6 h ASP 154 Cb 0.87 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3ii6 h ASP 154 CO 0.03 0.14 -0.57 -0.25 -1.72 0.00 0.00 179.24 176.87 3ii6 h TRP 155 N 0.28 0.44 0.16 4.55 7.01 -1.17 -2.09 115.95 125.13 3ii6 h TRP 155 Ca 0.34 -0.16 -0.29 0.00 2.11 0.00 0.00 58.89 60.89 3ii6 h TRP 155 Cb 0.92 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 27.91 3ii6 h TRP 155 CO -0.00 0.84 -1.30 -0.91 -2.79 0.00 0.00 178.44 174.28 3ii6 h ASN 156 N 0.27 0.52 -0.31 2.65 2.35 -0.42 -1.59 115.58 119.05 3ii6 h ASN 156 Ca 0.00 -0.56 -0.03 0.00 -0.55 0.00 0.00 56.30 55.16 3ii6 h ASN 156 Cb 1.08 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 3ii6 h ASN 156 CO 0.09 1.44 0.08 0.44 -1.65 0.00 0.00 177.43 177.83 3ii6 h ASP 157 N 0.09 0.47 -0.83 5.81 3.32 -0.98 -2.64 116.42 121.66 3ii6 h ASP 157 Ca -0.16 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 3ii6 h ASP 157 Cb 2.02 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 41.41 3ii6 h ASP 157 CO 0.22 0.58 0.40 0.58 -1.72 0.00 0.00 179.24 179.29 3ii6 h VAL 158 N 0.35 1.26 -0.85 -1.35 2.07 -1.41 -1.56 116.25 114.76 3ii6 h VAL 158 Ca 0.10 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 66.98 3ii6 h VAL 158 Cb 0.29 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 3ii6 h VAL 158 CO 0.00 0.31 0.49 -0.61 0.02 0.00 0.00 177.57 177.79 3ii6 h GLN 159 N 1.19 0.80 0.00 1.57 4.15 -1.10 0.10 115.11 121.82 3ii6 h GLN 159 Ca 0.29 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 59.45 3ii6 h GLN 159 Cb 0.13 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3ii6 h GLN 159 CO -0.04 0.53 -0.91 0.78 -1.93 0.00 0.00 178.83 177.27 3ii6 h GLY 160 N 0.83 0.32 1.73 2.39 0.00 -1.07 0.62 103.07 107.88 3ii6 h GLY 160 Ca 0.41 -0.57 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 3ii6 h GLY 160 CO -0.24 0.50 -0.80 3.21 0.00 0.00 0.00 176.54 179.21 3ii6 h ARG 161 N 0.16 0.26 -0.40 4.80 3.08 -0.63 -2.37 114.38 119.27 3ii6 h ARG 161 Ca -0.06 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 3ii6 h ARG 161 Cb 1.54 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.64 3ii6 h ARG 161 CO 0.15 0.93 -0.05 0.35 -1.07 0.00 0.00 179.97 180.27 3ii6 h PHE 162 N 0.16 0.82 -0.38 3.04 -0.00 -0.87 -1.87 116.94 117.83 3ii6 h PHE 162 Ca -0.04 -0.16 0.07 0.00 -0.00 0.00 0.00 57.97 57.84 3ii6 h PHE 162 Cb 1.39 -0.21 -0.06 0.00 -0.00 0.00 0.00 35.95 37.07 3ii6 h PHE 162 CO 0.03 0.85 -0.00 0.93 -0.00 0.00 0.00 178.31 180.12 3ii6 h GLU 163 N 0.55 0.10 -0.15 1.11 5.08 -0.72 -1.26 114.58 119.29 3ii6 h GLU 163 Ca 0.11 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3ii6 h GLU 163 Cb 0.56 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3ii6 h GLU 163 CO 0.03 0.06 -0.22 0.87 -1.00 0.00 0.00 179.01 178.76 3ii6 h LYS 164 N 0.10 0.26 0.00 2.33 1.57 -1.35 -2.05 116.57 117.43 3ii6 h LYS 164 Ca 0.19 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 3ii6 h LYS 164 Cb 0.26 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3ii6 h LYS 164 CO -0.32 0.47 -0.61 0.00 -0.57 0.00 0.00 179.45 178.43 3ii6 h VAL 166 N 0.00 1.65 -0.84 0.00 2.07 -0.88 -1.14 116.25 117.10 3ii6 h VAL 166 Ca -0.01 -1.99 0.17 0.00 0.82 0.00 0.00 66.70 65.70 3ii6 h VAL 166 Cb 1.18 2.99 -0.10 0.00 -1.52 0.00 0.00 31.29 33.83 3ii6 h VAL 166 CO 0.08 0.52 0.39 0.28 0.02 0.00 0.00 177.57 178.86 3ii6 h SER 167 N -0.78 0.40 -0.55 0.57 0.02 -1.24 -0.07 113.55 111.88 3ii6 h SER 167 Ca -0.01 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3ii6 h SER 167 Cb 0.88 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 3ii6 h SER 167 CO 0.01 0.12 0.14 0.00 -1.14 0.00 0.00 176.83 175.95 3ii6 h ALA 168 N 1.61 1.13 -0.18 3.77 0.00 -1.16 -0.14 119.26 124.28 3ii6 h ALA 168 Ca 0.48 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3ii6 h ALA 168 Cb 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ii6 h ALA 168 CO -0.43 0.59 -0.33 -0.22 0.00 0.00 0.00 179.25 178.85 3ii6 h LYS 169 N 0.89 0.55 -0.05 0.00 3.11 -0.87 0.37 116.57 120.57 3ii6 h LYS 169 Ca 0.19 -0.34 0.01 0.00 -2.81 0.00 0.00 60.65 57.70 3ii6 h LYS 169 Cb 0.33 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 3ii6 h LYS 169 CO 0.00 0.95 -0.03 0.93 -2.81 0.00 0.00 179.45 178.49 3ii6 h GLU 170 N 0.20 -0.04 -0.68 1.90 5.08 -0.40 -0.64 114.58 120.01 3ii6 h GLU 170 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ii6 h GLU 170 Cb 0.92 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3ii6 h GLU 170 CO 0.07 -0.02 0.38 0.00 -1.00 0.00 0.00 179.01 178.44 3ii6 h ALA 171 N 1.01 0.87 -0.34 3.43 0.00 -0.98 -2.64 119.26 120.61 3ii6 h ALA 171 Ca 0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3ii6 h ALA 171 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ii6 h ALA 171 CO -0.08 0.37 -0.07 1.25 0.00 0.00 0.00 179.25 180.73 3ii6 h LEU 172 N 0.93 0.65 0.05 0.00 6.46 0.08 -1.78 115.31 121.69 3ii6 h LEU 172 Ca 0.24 -0.36 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 3ii6 h LEU 172 Cb 0.02 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 3ii6 h LEU 172 CO -0.04 0.85 -0.02 -0.33 -0.62 0.00 0.00 178.44 178.28 3ii6 h GLU 173 N 0.43 -0.06 -0.32 1.25 5.08 -1.12 -2.40 114.58 117.45 3ii6 h GLU 173 Ca 0.09 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3ii6 h GLU 173 Cb 0.57 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 3ii6 h GLU 173 CO 0.03 0.17 -0.21 1.15 -1.00 0.00 0.00 179.01 179.15 3ii6 h THR 174 N -0.29 0.43 0.19 1.13 2.02 -1.33 0.31 112.91 115.37 3ii6 h THR 174 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3ii6 h THR 174 Cb 0.26 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3ii6 h THR 174 CO 0.01 0.00 -0.29 -0.78 0.37 0.00 0.00 175.52 174.83 3ii6 h ASP 175 N -0.17 -0.83 -0.69 4.18 -0.00 -1.35 0.11 116.42 117.67 3ii6 h ASP 175 Ca 0.16 0.09 -0.04 0.00 -0.00 0.00 0.00 57.03 57.24 3ii6 h ASP 175 Cb 0.43 0.30 -0.03 0.00 -0.00 0.00 0.00 39.33 40.02 3ii6 h ASP 175 CO -0.42 -0.40 0.29 -0.07 -0.00 0.00 0.00 179.24 178.64 3ii6 h LEU 176 N -0.55 0.96 -1.39 2.28 3.38 -1.23 -1.66 115.31 117.10 3ii6 h LEU 176 Ca 0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3ii6 h LEU 176 Cb 0.55 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3ii6 h LEU 176 CO -0.13 0.85 -0.31 1.88 0.09 0.00 0.00 178.44 180.83 3ii6 h TYR 177 N 1.03 0.00 -0.27 1.13 -1.99 -0.20 -1.58 116.97 115.10 3ii6 h TYR 177 Ca 0.24 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.86 3ii6 h TYR 177 Cb 0.18 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 3ii6 h TYR 177 CO 0.02 0.31 -0.31 0.87 -0.00 0.00 0.00 178.16 179.04 3ii6 h LYS 178 N 0.00 0.56 0.17 4.88 1.57 0.20 -0.98 116.57 122.97 3ii6 h LYS 178 Ca -0.00 -0.24 -0.35 0.00 -1.87 0.00 0.00 60.65 58.18 3ii6 h LYS 178 Cb 0.55 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ii6 h LYS 178 CO 0.04 0.81 -1.78 0.00 -0.57 0.00 0.00 179.45 177.94 3ii6 h ARG 179 N 0.48 0.36 -0.81 3.15 3.08 -1.22 -3.10 114.38 116.32 3ii6 h ARG 179 Ca 0.06 -0.62 0.12 0.00 0.07 0.00 0.00 59.98 59.61 3ii6 h ARG 179 Cb 0.78 0.23 -0.13 0.00 0.08 0.00 0.00 29.97 30.93 3ii6 h ARG 179 CO 0.06 1.28 -0.43 0.35 -1.07 0.00 0.00 179.97 180.16 3ii6 h PHE 180 N 0.10 -1.27 -0.51 3.04 3.57 -1.28 -2.12 116.94 118.47 3ii6 h PHE 180 Ca -0.35 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3ii6 h PHE 180 Cb 2.08 0.67 -0.03 0.00 2.79 0.00 0.00 35.95 41.47 3ii6 h PHE 180 CO 0.09 -0.40 0.33 0.82 -2.23 0.00 0.00 178.31 176.92 3ii6 h ILE 181 N -0.09 1.14 -0.11 1.41 2.04 -1.23 0.26 117.51 120.93 3ii6 h ILE 181 Ca 0.25 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3ii6 h ILE 181 Cb 0.55 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3ii6 h ILE 181 CO -0.85 0.14 0.02 -0.07 0.00 0.00 0.00 178.15 177.39 3ii6 h LEU 182 N 0.70 0.17 -0.19 1.44 3.38 -1.46 -0.02 115.31 119.33 3ii6 h LEU 182 Ca 0.19 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3ii6 h LEU 182 Cb -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ii6 h LEU 182 CO -0.04 0.40 -0.06 0.58 0.09 0.00 0.00 178.44 179.41 3ii6 h VAL 183 N -0.06 1.29 -0.05 1.22 2.07 -1.21 -2.78 116.25 116.73 3ii6 h VAL 183 Ca 0.03 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3ii6 h VAL 183 Cb 0.30 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3ii6 h VAL 183 CO 0.00 0.32 -0.06 0.25 0.02 0.00 0.00 177.57 178.10 3ii6 h LEU 184 N 0.09 -0.19 -1.83 2.57 6.46 -0.49 -0.88 115.31 121.04 3ii6 h LEU 184 Ca 0.05 0.04 0.39 0.00 -0.12 0.00 0.00 57.88 58.24 3ii6 h LEU 184 Cb 0.52 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 40.47 3ii6 h LEU 184 CO 0.02 -0.09 0.95 0.78 -0.62 0.00 0.00 178.44 179.48 3ii6 h ASN 185 N -0.09 0.10 1.46 1.25 2.35 -0.96 -0.96 115.58 118.73 3ii6 h ASN 185 Ca 0.05 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3ii6 h ASN 185 Cb 0.15 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3ii6 h ASN 185 CO -0.11 -0.01 -0.18 -0.33 -1.65 0.00 0.00 177.43 175.15 3ii6 h GLU 186 N 0.07 0.00 0.00 0.81 4.39 -0.87 -2.56 114.58 116.42 3ii6 h GLU 186 Ca 0.68 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 60.23 3ii6 h GLU 186 Cb 2.52 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 31.14 3ii6 h GLU 186 CO -0.10 0.18 -0.73 0.87 -1.16 0.00 0.00 179.01 178.07 3ii6 h LYS 187 N 0.00 0.00 0.12 2.33 1.79 -1.12 -2.87 116.57 116.82 3ii6 h LYS 187 Ca -0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 3ii6 h LYS 187 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 3ii6 h LYS 187 CO 0.02 0.73 -1.28 0.87 -1.08 0.00 0.00 179.45 178.72 3ii6 h LYS 188 N 0.00 0.26 0.05 3.15 1.57 -1.36 -0.73 116.57 119.51 3ii6 h LYS 188 Ca -0.01 -0.44 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3ii6 h LYS 188 Cb 1.53 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.96 3ii6 h LYS 188 CO 0.09 1.21 -0.25 1.15 -0.57 0.00 0.00 179.45 181.09 3ii6 h THR 189 N -0.32 0.44 -0.35 -0.16 2.02 -1.61 0.35 112.91 113.28 3ii6 h THR 189 Ca -0.27 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.99 3ii6 h THR 189 Cb 1.73 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 68.51 3ii6 h THR 189 CO 0.08 0.00 -0.20 0.50 0.37 0.00 0.00 175.52 176.27 3ii6 h LYS 190 N -0.41 -0.14 -0.41 6.66 1.63 -1.59 0.78 116.57 123.09 3ii6 h LYS 190 Ca 0.05 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.97 3ii6 h LYS 190 Cb 0.47 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 3ii6 h LYS 190 CO -0.19 -0.09 0.29 0.82 -3.45 0.00 0.00 179.45 176.83 3ii6 h ILE 191 N -0.15 0.82 0.12 2.00 2.04 -0.54 -1.97 117.51 119.84 3ii6 h ILE 191 Ca 0.18 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 3ii6 h ILE 191 Cb 0.42 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3ii6 h ILE 191 CO -0.44 0.01 -0.06 -0.09 0.00 0.00 0.00 178.15 177.57 3ii6 h ARG 192 N 0.06 -0.15 -0.49 2.37 2.43 0.20 -2.74 114.38 116.05 3ii6 h ARG 192 Ca 0.19 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 3ii6 h ARG 192 Cb 0.69 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.18 3ii6 h ARG 192 CO -0.01 0.31 -0.51 0.77 -1.51 0.00 0.00 179.97 179.02 3ii6 h SER 193 N -0.73 -1.73 -0.01 -3.80 0.02 -1.01 0.35 113.55 106.65 3ii6 h SER 193 Ca -0.02 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3ii6 h SER 193 Cb 0.54 0.74 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 3ii6 h SER 193 CO 0.03 -0.37 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.26 3ii6 h LEU 194 N -0.32 0.08 0.06 5.07 3.38 -1.39 0.30 115.31 122.49 3ii6 h LEU 194 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ii6 h LEU 194 Cb 0.58 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ii6 h LEU 194 CO -0.64 0.12 -0.03 -0.74 0.09 0.00 0.00 178.44 177.24 3ii6 h HIS 195 N 0.09 -0.07 -0.94 1.13 2.76 -1.11 0.11 115.15 117.11 3ii6 h HIS 195 Ca 0.02 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.31 3ii6 h HIS 195 Cb 0.10 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.01 3ii6 h HIS 195 CO 0.00 0.54 0.60 -0.91 -1.30 0.00 0.00 177.93 176.86 3ii6 h ASN 196 N -0.85 0.83 0.68 3.26 2.35 -0.56 -0.77 115.58 120.53 3ii6 h ASN 196 Ca -0.01 0.04 -0.27 0.00 -0.55 0.00 0.00 56.30 55.51 3ii6 h ASN 196 Cb 0.64 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3ii6 h ASN 196 CO 0.01 0.46 -1.29 0.50 -1.65 0.00 0.00 177.43 175.46 3ii6 h LYS 197 N 0.90 0.16 0.22 0.81 3.64 -0.86 -2.05 116.57 119.38 3ii6 h LYS 197 Ca 0.46 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3ii6 h LYS 197 Cb 0.50 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3ii6 h LYS 197 CO -0.22 1.05 -0.30 1.25 -2.27 0.00 0.00 179.45 178.96 3ii6 h LEU 198 N 0.04 -0.86 -1.59 5.20 6.46 -0.63 -1.33 115.31 122.60 3ii6 h LEU 198 Ca -0.14 0.08 0.23 0.00 -0.12 0.00 0.00 57.88 57.92 3ii6 h LEU 198 Cb 1.93 0.30 -0.06 0.00 -0.73 0.00 0.00 40.66 42.09 3ii6 h LEU 198 CO 0.16 -0.37 0.62 0.25 -0.62 0.00 0.00 178.44 178.47 3ii6 h LEU 199 N -0.55 0.33 -0.02 2.25 6.46 -0.91 -0.32 115.31 122.56 3ii6 h LEU 199 Ca -0.03 0.04 -0.26 0.00 -0.12 0.00 0.00 57.88 57.51 3ii6 h LEU 199 Cb 0.49 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.42 3ii6 h LEU 199 CO -0.08 0.12 -1.09 0.78 -0.62 0.00 0.00 178.44 177.55 3ii6 h ASN 200 N 0.32 0.67 -0.00 1.25 -0.26 -1.28 -3.51 115.58 112.76 3ii6 h ASN 200 Ca 0.48 -0.58 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3ii6 h ASN 200 Cb 1.34 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 3ii6 h ASN 200 CO -0.16 1.40 0.00 0.00 -1.06 0.00 0.00 177.43 177.61