#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 1.10 -0.10 2.12 0.41 0.01 -4.96 118.70 117.28 3ii6 s GLU 2 Ca 0.00 -0.52 -0.33 0.00 -0.41 0.00 0.00 54.97 53.71 3ii6 s GLU 2 Cb 0.00 -1.99 0.13 0.00 -1.78 0.00 0.00 34.13 30.48 3ii6 s GLU 2 CO 0.00 -2.04 1.19 0.50 -0.49 0.00 0.00 175.26 174.42 3ii6 s ARG 3 N -5.64 0.43 -0.28 1.61 3.52 -1.26 -2.14 118.95 115.19 3ii6 s ARG 3 Ca 0.70 -0.19 -0.20 0.00 -0.13 0.00 0.00 55.73 55.91 3ii6 s ARG 3 Cb -0.05 0.17 0.09 0.00 -1.56 0.00 0.00 34.95 33.60 3ii6 s ARG 3 CO 0.50 -0.19 0.76 0.21 -0.81 0.00 0.00 175.30 175.77 3ii6 s LYS 4 N -2.53 0.71 0.07 5.12 2.47 0.74 -4.97 119.74 121.35 3ii6 s LYS 4 Ca 0.11 1.02 0.08 0.00 -1.56 0.00 0.00 55.97 55.62 3ii6 s LYS 4 Cb 0.01 0.25 -0.03 0.00 -1.46 0.00 0.00 37.83 36.59 3ii6 s LYS 4 CO -0.04 -0.11 -0.19 0.42 0.16 0.00 0.00 175.35 175.58 3ii6 s ILE 5 N 0.97 2.76 -0.28 5.43 1.01 -1.26 -0.03 121.20 129.80 3ii6 s ILE 5 Ca -0.05 -1.32 -0.23 0.00 0.00 0.00 0.00 60.65 59.05 3ii6 s ILE 5 Cb -0.05 -2.19 0.10 0.00 0.01 0.00 0.00 42.46 40.32 3ii6 s ILE 5 CO -0.10 0.25 0.86 -0.94 0.00 0.00 0.00 174.94 175.01 3ii6 s SER 6 N -1.68 -0.63 0.24 3.58 1.04 -0.69 -4.98 113.70 110.58 3ii6 s SER 6 Ca 0.16 1.18 -0.30 0.00 0.48 0.00 0.00 55.95 57.46 3ii6 s SER 6 Cb -0.10 1.21 -0.09 0.00 0.10 0.00 0.00 66.02 67.13 3ii6 s SER 6 CO 0.07 -0.20 1.01 -0.60 0.98 0.00 0.00 173.24 174.50 3ii6 s ARG 7 N 0.52 4.76 0.19 4.02 3.52 -1.26 -0.23 118.95 130.46 3ii6 s ARG 7 Ca -0.00 1.61 -0.04 0.00 -0.13 0.00 0.00 55.73 57.17 3ii6 s ARG 7 Cb -0.05 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 3ii6 s ARG 7 CO -0.05 0.36 0.18 0.96 -0.81 0.00 0.00 175.30 175.94 3ii6 s ILE 8 N -1.03 0.03 0.35 4.11 -4.36 -0.68 -4.87 121.20 114.75 3ii6 s ILE 8 Ca 0.43 -1.81 0.09 0.00 -0.26 0.00 0.00 60.65 59.10 3ii6 s ILE 8 Cb -0.28 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 41.11 3ii6 s ILE 8 CO 0.35 -0.15 -0.01 -1.00 0.24 0.00 0.00 174.94 174.37 3ii6 s HIS 9 N -4.09 2.50 0.26 1.37 3.76 -1.26 -1.52 115.29 116.32 3ii6 s HIS 9 Ca 0.30 -0.48 0.10 0.00 -0.15 0.00 0.00 55.06 54.83 3ii6 s HIS 9 Cb 0.06 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 3ii6 s HIS 9 CO 0.08 0.50 -0.02 -0.51 -0.85 0.00 0.00 174.74 173.93 3ii6 s LEU 10 N -3.69 3.14 0.25 0.89 1.43 -1.25 -4.19 118.68 115.26 3ii6 s LEU 10 Ca 0.34 -0.67 0.13 0.00 -1.03 0.00 0.00 54.13 52.91 3ii6 s LEU 10 Cb 0.01 -1.67 0.12 0.00 0.03 0.00 0.00 46.19 44.68 3ii6 s LEU 10 CO 0.19 0.01 1.46 0.58 0.23 0.00 0.00 176.35 178.82 3ii6 h VAL 11 N 1.97 1.12 -0.98 -1.59 2.07 -1.79 -3.20 116.25 113.85 3ii6 h VAL 11 Ca -0.44 -2.41 0.19 0.00 0.82 0.00 0.00 66.70 64.86 3ii6 h VAL 11 Cb 1.25 2.44 -0.09 0.00 -1.52 0.00 0.00 31.29 33.36 3ii6 h VAL 11 CO 0.60 0.60 0.61 0.77 0.02 0.00 0.00 177.57 180.18 3ii6 h SER 12 N 0.00 0.69 -2.79 0.57 4.64 -1.92 -3.32 113.55 111.42 3ii6 h SER 12 Ca -0.01 0.08 -0.59 0.00 -0.47 0.00 0.00 61.79 60.80 3ii6 h SER 12 Cb 1.39 -0.05 -0.39 0.00 -0.31 0.00 0.00 62.40 63.04 3ii6 h SER 12 CO 0.08 0.26 -0.83 -1.61 -0.87 0.00 0.00 176.83 173.86 3ii6 s GLU 13 N -5.74 0.79 0.34 4.77 2.02 -1.21 -5.03 118.70 114.65 3ii6 s GLU 13 Ca -0.10 -1.60 0.08 0.00 0.02 0.00 0.00 54.97 53.36 3ii6 s GLU 13 Cb 0.24 -1.59 0.62 0.00 0.10 0.00 0.00 34.13 33.50 3ii6 s GLU 13 CO 0.80 -1.22 1.81 -1.00 0.02 0.00 0.00 175.26 175.67 3ii6 h PRO 14 N 6.78 0.24 -0.23 0.39 0.13 -1.67 -3.33 132.00 134.32 3ii6 h PRO 14 Ca 0.07 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3ii6 h PRO 14 Cb 0.95 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3ii6 h PRO 14 CO 0.33 0.50 0.00 0.43 -0.23 0.00 0.00 178.00 179.03 3ii6 n SER 15 N -4.15 1.65 -3.84 1.44 7.64 -1.26 -4.93 113.62 110.17 3ii6 n SER 15 Ca -0.01 -1.82 -0.21 0.00 1.01 0.00 0.00 58.87 57.84 3ii6 n SER 15 Cb 0.37 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 63.33 3ii6 n SER 15 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ii6 s ILE 16 N -1.70 0.30 -0.13 0.44 1.01 -1.25 -5.17 121.20 114.71 3ii6 s ILE 16 Ca 0.28 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.92 3ii6 s ILE 16 Cb 0.15 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3ii6 s ILE 16 CO 0.21 0.00 -0.09 -0.89 0.00 0.00 0.00 174.94 174.17 3ii6 s THR 17 N -3.45 3.43 0.38 2.92 2.01 -1.26 -4.71 115.64 114.95 3ii6 s THR 17 Ca 0.34 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.81 3ii6 s THR 17 Cb 0.03 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 70.10 3ii6 s THR 17 CO 0.20 0.52 0.07 1.41 -0.69 0.00 0.00 174.62 176.13 3ii6 n HIS 18 N 3.34 0.44 -3.60 4.92 8.25 -0.58 -4.78 115.22 123.20 3ii6 n HIS 18 Ca -0.18 -1.78 -0.20 0.00 -0.26 0.00 0.00 57.72 55.30 3ii6 n HIS 18 Cb 0.53 -0.26 -0.15 0.00 1.12 0.00 0.00 29.99 31.22 3ii6 n HIS 18 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3ii6 s PHE 19 N -2.24 -0.08 0.32 4.41 0.08 -0.45 -1.68 117.98 118.34 3ii6 s PHE 19 Ca 0.06 0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.35 3ii6 s PHE 19 Cb -0.00 -0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 41.99 3ii6 s PHE 19 CO 0.04 -0.42 0.49 -1.17 -0.10 0.00 0.00 175.22 174.06 3ii6 s LEU 20 N 2.25 4.09 -0.24 -0.37 2.96 0.68 -0.90 118.68 127.15 3ii6 s LEU 20 Ca 0.04 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 3ii6 s LEU 20 Cb -0.14 -3.15 0.13 0.00 0.50 0.00 0.00 46.19 43.53 3ii6 s LEU 20 CO -0.08 -0.24 0.43 -1.58 -1.32 0.00 0.00 176.35 173.55 3ii6 s GLN 21 N -4.22 0.38 -0.23 1.98 0.74 -0.45 -1.70 119.66 116.16 3ii6 s GLN 21 Ca 0.39 0.77 -0.05 0.00 0.05 0.00 0.00 55.36 56.52 3ii6 s GLN 21 Cb -0.09 -0.06 -0.02 0.00 1.10 0.00 0.00 33.01 33.93 3ii6 s GLN 21 CO 0.34 -0.51 0.01 0.08 -0.55 0.00 0.00 175.29 174.65 3ii6 s VAL 22 N 2.62 3.81 -0.01 1.34 1.01 0.95 -1.95 120.40 128.17 3ii6 s VAL 22 Ca 0.09 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3ii6 s VAL 22 Cb -0.14 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3ii6 s VAL 22 CO -0.16 0.39 -0.19 -0.94 0.00 0.00 0.00 175.10 174.21 3ii6 s SER 23 N 1.45 3.68 0.27 3.32 1.04 0.22 -0.19 113.70 123.49 3ii6 s SER 23 Ca 0.05 -0.35 -0.07 0.00 0.48 0.00 0.00 55.95 56.06 3ii6 s SER 23 Cb -0.15 -0.62 -0.01 0.00 0.10 0.00 0.00 66.02 65.34 3ii6 s SER 23 CO 0.00 0.31 0.40 -1.66 0.98 0.00 0.00 173.24 173.27 3ii6 s TRP 24 N -0.76 0.75 -0.32 5.02 -2.14 -0.91 -0.86 118.94 119.72 3ii6 s TRP 24 Ca 0.12 -1.04 0.01 0.00 2.66 0.00 0.00 56.10 57.85 3ii6 s TRP 24 Cb -0.10 -0.06 0.08 0.00 -3.10 0.00 0.00 33.47 30.29 3ii6 s TRP 24 CO 0.02 -0.96 0.03 -2.00 -2.66 0.00 0.00 176.95 171.38 3ii6 s GLU 25 N -3.76 2.00 0.00 3.25 -6.30 -1.26 -0.81 118.70 111.82 3ii6 s GLU 25 Ca 0.29 -1.59 0.00 0.00 -2.50 0.00 0.00 54.97 51.17 3ii6 s GLU 25 Cb 0.01 -3.19 0.00 0.00 0.00 0.00 0.00 34.13 30.95 3ii6 s GLU 25 CO 0.13 -0.79 0.00 1.17 0.02 0.00 0.00 175.26 175.79 3ii6 n LYS 26 N 4.45 0.00 -3.51 4.30 3.00 -1.26 -4.66 118.16 120.48 3ii6 n LYS 26 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.14 3ii6 n LYS 26 Cb 0.42 -3.30 -0.03 0.00 0.00 0.00 0.00 35.03 32.12 3ii6 n LYS 26 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3ii6 s THR 27 N -0.25 0.00 -0.33 3.15 -4.23 -1.26 -4.99 115.64 107.73 3ii6 s THR 27 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.71 3ii6 s THR 27 Cb 0.00 -1.00 0.21 0.00 1.34 0.00 0.00 72.50 73.05 3ii6 s THR 27 CO 0.00 0.00 1.62 -0.11 -0.54 0.00 0.00 174.62 175.59 3ii6 n LEU 28 N 0.13 0.54 0.07 4.79 0.00 -1.26 -2.83 117.00 118.43 3ii6 n LEU 28 Ca -0.12 0.72 -0.14 0.00 0.00 0.00 0.00 56.01 56.48 3ii6 n LEU 28 Cb 0.61 -0.75 -0.14 0.00 0.00 0.00 0.00 43.42 43.14 3ii6 n LEU 28 CO 0.14 -0.83 -0.12 -0.08 0.00 0.00 0.00 177.39 176.50 3ii6 h GLU 29 N 0.00 0.18 -0.12 1.96 4.81 -1.94 -2.95 114.58 116.51 3ii6 h GLU 29 Ca 0.00 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 3ii6 h GLU 29 Cb 0.08 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3ii6 h GLU 29 CO 0.00 1.09 0.28 0.66 -0.73 0.00 0.00 179.01 180.31 3ii6 h SER 30 N 0.05 0.00 -5.00 1.04 4.64 -1.79 -3.41 113.55 109.08 3ii6 h SER 30 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3ii6 h SER 30 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 3ii6 h SER 30 CO 0.17 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 3ii6 n GLY 31 N -1.30 -2.21 3.56 -0.77 0.00 -1.12 -0.96 105.19 102.39 3ii6 n GLY 31 Ca 0.01 -2.11 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.35 -0.24 -0.10 1.61 -0.12 -1.22 -4.18 117.98 113.38 3ii6 s PHE 32 Ca 0.00 0.21 -0.10 0.00 -0.05 0.00 0.00 56.93 57.00 3ii6 s PHE 32 Cb 0.00 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 3ii6 s PHE 32 CO 0.00 -0.34 0.22 0.08 -0.05 0.00 0.00 175.22 175.12 3ii6 s VAL 33 N -2.40 5.37 -0.02 -2.49 1.01 -0.04 -2.17 120.40 119.67 3ii6 s VAL 33 Ca 0.06 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.47 3ii6 s VAL 33 Cb -0.01 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3ii6 s VAL 33 CO -0.05 0.59 -0.14 -0.51 0.00 0.00 0.00 175.10 174.98 3ii6 s ILE 34 N -0.87 1.14 -0.00 2.22 -1.16 0.21 -0.61 121.20 122.13 3ii6 s ILE 34 Ca 0.17 -0.60 0.02 0.00 -0.51 0.00 0.00 60.65 59.73 3ii6 s ILE 34 Cb -0.13 -0.96 -0.01 0.00 0.61 0.00 0.00 42.46 41.97 3ii6 s ILE 34 CO 0.06 0.33 -0.06 -0.89 -2.81 0.00 0.00 174.94 171.57 3ii6 s THR 35 N -0.22 0.44 -0.02 4.00 2.01 -0.82 -1.73 115.64 119.30 3ii6 s THR 35 Ca 0.03 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 61.77 3ii6 s THR 35 Cb -0.07 -0.39 -0.00 0.00 0.01 0.00 0.00 72.50 72.05 3ii6 s THR 35 CO -0.00 0.09 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.69 3ii6 s LEU 36 N -0.22 1.90 0.05 4.42 2.96 0.46 -1.34 118.68 126.90 3ii6 s LEU 36 Ca 0.01 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 3ii6 s LEU 36 Cb -0.03 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 3ii6 s LEU 36 CO -0.00 0.11 0.14 0.28 -1.32 0.00 0.00 176.35 175.56 3ii6 s THR 37 N -0.03 0.13 -2.44 3.68 -1.32 -0.08 -2.44 115.64 113.14 3ii6 s THR 37 Ca 0.00 -1.07 0.21 0.00 -1.21 0.00 0.00 61.69 59.63 3ii6 s THR 37 Cb -0.07 -0.99 0.11 0.00 -1.51 0.00 0.00 72.50 70.04 3ii6 s THR 37 CO 0.00 -0.59 1.13 -0.90 -2.21 0.00 0.00 174.62 172.05 3ii6 n ASP 38 N 0.59 2.52 0.00 8.08 5.68 -1.26 -1.34 116.55 130.82 3ii6 n ASP 38 Ca -0.18 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3ii6 n ASP 38 Cb 0.59 0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 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 1.26 0.72 0.63 6.12 0.00 -1.26 -4.87 105.19 107.78 3ii6 n GLY 39 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -4.38 1.61 -0.00 -1.26 -5.05 115.22 104.14 3ii6 n HIS 40 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 3ii6 n HIS 40 Cb 0.00 0.05 -0.10 0.00 -0.00 0.00 0.00 29.99 29.94 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 -4.45 2.76 -0.52 0.26 0.01 -1.26 -4.65 113.70 105.84 3ii6 s SER 41 Ca 0.00 -1.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.14 3ii6 s SER 41 Cb 0.00 -0.17 0.13 0.00 0.21 0.00 0.00 66.02 66.20 3ii6 s SER 41 CO 0.00 -0.16 0.39 0.00 0.41 0.00 0.00 173.24 173.88 3ii6 s ALA 42 N -2.90 3.47 -0.10 1.44 0.00 -1.26 -4.09 121.76 118.31 3ii6 s ALA 42 Ca 0.25 -2.72 0.02 0.00 0.00 0.00 0.00 51.96 49.50 3ii6 s ALA 42 Cb -0.01 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 3ii6 s ALA 42 CO 0.09 -1.96 -0.15 -1.58 0.00 0.00 0.00 175.76 172.16 3ii6 s TRP 43 N 1.01 2.74 0.15 0.00 0.51 -1.02 -0.51 118.94 121.82 3ii6 s TRP 43 Ca 0.09 -0.55 -0.02 0.00 -2.12 0.00 0.00 56.10 53.50 3ii6 s TRP 43 Cb -0.24 -1.76 -0.04 0.00 -0.81 0.00 0.00 33.47 30.63 3ii6 s TRP 43 CO -0.02 -0.12 0.10 0.99 -0.51 0.00 0.00 176.95 177.39 3ii6 s THR 44 N 0.03 0.08 -0.30 2.01 2.01 -1.26 -0.41 115.64 117.80 3ii6 s THR 44 Ca -0.05 -1.86 -0.16 0.00 0.31 0.00 0.00 61.69 59.93 3ii6 s THR 44 Cb -0.15 -2.11 0.20 0.00 0.01 0.00 0.00 72.50 70.45 3ii6 s THR 44 CO 0.04 -0.35 1.20 -0.83 -0.69 0.00 0.00 174.62 173.99 3ii6 s GLY 45 N -3.06 0.49 -0.32 4.40 0.00 -0.70 -1.34 107.32 106.80 3ii6 s GLY 45 Ca 0.26 3.69 -0.00 0.00 0.00 0.00 0.00 44.72 48.67 3ii6 s GLY 45 CO 0.04 2.73 0.02 -1.59 0.00 0.00 0.00 173.10 174.29 3ii6 s THR 46 N 1.11 2.77 -0.47 0.90 2.01 -1.26 -0.62 115.64 120.08 3ii6 s THR 46 Ca -0.08 -1.68 0.03 0.00 0.31 0.00 0.00 61.69 60.27 3ii6 s THR 46 Cb -0.03 -2.71 0.13 0.00 0.01 0.00 0.00 72.50 69.90 3ii6 s THR 46 CO -0.11 -0.26 0.22 0.68 -0.69 0.00 0.00 174.62 174.47 3ii6 s VAL 47 N 1.15 2.18 0.00 3.82 -7.23 -0.92 -5.01 120.40 114.39 3ii6 s VAL 47 Ca -0.02 -2.93 0.00 0.00 -1.81 0.00 0.00 61.98 57.22 3ii6 s VAL 47 Cb -0.20 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.20 3ii6 s VAL 47 CO -0.03 -0.79 0.00 -1.54 -0.31 0.00 0.00 175.10 172.42 3ii6 n SER 48 N 3.43 0.37 -1.41 4.85 3.41 -1.26 -3.39 113.62 119.62 3ii6 n SER 48 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3ii6 n SER 48 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3ii6 n SER 48 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3ii6 n GLU 49 N 0.00 0.69 0.00 4.33 4.07 -0.13 -0.63 120.64 128.97 3ii6 n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3ii6 n GLU 49 Cb 0.00 -1.16 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 3ii6 n GLU 49 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3ii6 n SER 50 N 1.28 0.00 -0.00 4.31 2.88 -1.26 -4.83 113.62 115.99 3ii6 n SER 50 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 3ii6 n SER 50 Cb 0.34 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.75 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 3.70 0.13 -1.46 0.28 -1.21 -4.00 120.64 118.09 3ii6 n GLU 51 Ca 0.00 -0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.98 3ii6 n GLU 51 Cb 0.00 -0.96 0.16 0.00 1.43 0.00 0.00 31.44 32.06 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 1.45 -0.13 3.84 2.10 -1.17 -3.02 117.51 120.58 3ii6 h ILE 52 Ca 0.00 -2.17 0.00 0.00 1.08 0.00 0.00 64.86 63.77 3ii6 h ILE 52 Cb 0.24 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.14 3ii6 h ILE 52 CO 0.00 0.62 0.00 -1.54 -1.08 0.00 0.00 178.15 176.15 3ii6 n SER 53 N -3.78 3.10 0.12 2.19 3.41 -1.26 -3.15 113.62 114.25 3ii6 n SER 53 Ca -0.01 -1.99 0.12 0.00 -0.26 0.00 0.00 58.87 56.73 3ii6 n SER 53 Cb 0.63 -0.07 0.14 0.00 -0.26 0.00 0.00 64.21 64.65 3ii6 n SER 53 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3ii6 h GLN 54 N 4.59 0.00 0.15 4.33 5.75 -1.69 -3.35 115.11 124.89 3ii6 h GLN 54 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3ii6 h GLN 54 Cb 0.99 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.54 3ii6 h GLN 54 CO 0.00 0.00 -0.07 0.93 -2.65 0.00 0.00 178.83 177.04 3ii6 h GLU 55 N 0.00 -0.19 0.00 1.69 4.39 -1.48 -1.55 114.58 117.44 3ii6 h GLU 55 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3ii6 h GLU 55 Cb 0.90 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 3ii6 h GLU 55 CO 0.00 0.12 0.00 0.00 -1.16 0.00 0.00 179.01 177.97 3ii6 n ALA 56 N -2.35 2.25 -0.05 3.43 0.00 -1.26 -1.12 120.51 121.41 3ii6 n ALA 56 Ca -0.09 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 3ii6 n ALA 56 Cb 0.21 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.97 2.38 0.11 0.00 -0.08 -1.20 0.39 116.55 117.19 3ii6 n ASP 57 Ca 0.14 0.01 0.12 0.00 -1.51 0.00 0.00 54.79 53.55 3ii6 n ASP 57 Cb 0.07 -0.22 0.46 0.00 2.34 0.00 0.00 41.12 43.76 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 -3.04 0.66 -0.00 1.67 2.03 -0.59 -2.35 116.55 114.92 3ii6 n ASP 58 Ca -0.20 0.62 0.11 0.00 0.52 0.00 0.00 54.79 55.84 3ii6 n ASP 58 Cb 0.68 -0.77 -0.13 0.00 -0.72 0.00 0.00 41.12 40.18 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 -2.17 0.41 0.00 -0.67 2.81 -0.27 -5.02 117.12 112.20 3ii6 n MET 59 Ca 0.04 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3ii6 n MET 59 Cb 0.31 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 3ii6 n MET 59 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3ii6 n GLU 60 N -1.99 0.00 -4.47 0.03 4.71 -0.99 -5.04 120.64 112.89 3ii6 n GLU 60 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.91 3ii6 n GLU 60 Cb 0.48 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.80 3ii6 n GLU 60 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 3ii6 s MET 61 N -0.79 1.64 -0.38 3.49 -1.94 1.28 -4.80 119.30 117.80 3ii6 s MET 61 Ca 0.00 -1.83 -0.34 0.00 -1.71 0.00 0.00 55.69 51.81 3ii6 s MET 61 Cb 0.00 -1.39 -0.15 0.00 2.01 0.00 0.00 34.83 35.31 3ii6 s MET 61 CO 0.00 0.10 1.61 0.39 -0.01 0.00 0.00 175.02 177.11 3ii6 n GLU 62 N -0.65 0.00 0.05 2.03 -0.58 -1.26 -4.62 120.64 115.61 3ii6 n GLU 62 Ca -0.05 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.70 3ii6 n GLU 62 Cb 0.63 -1.15 0.09 0.00 -0.57 0.00 0.00 31.44 30.44 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 5.55 0.02 0.00 3.49 5.02 -1.26 -3.38 118.16 127.60 3ii6 n LYS 63 Ca 0.41 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 3ii6 n LYS 63 Cb -0.03 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3ii6 n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ii6 n GLY 64 N -1.25 -2.39 0.03 0.72 0.00 -1.26 -0.34 105.19 100.69 3ii6 n GLY 64 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3ii6 n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ii6 n LYS 65 N -1.97 0.07 0.00 1.61 2.85 -1.25 -0.80 118.16 118.67 3ii6 n LYS 65 Ca 0.00 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 3ii6 n LYS 65 Cb 0.00 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 3ii6 n LYS 65 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 3ii6 n TYR 66 N -1.72 0.00 -0.16 5.58 9.36 -1.19 -1.29 117.16 127.74 3ii6 n TYR 66 Ca 0.05 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.24 3ii6 n TYR 66 Cb 0.30 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.99 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 -0.49 -0.24 0.49 2.97 0.31 0.53 0.15 118.33 122.06 3ii6 n VAL 67 Ca 0.00 0.92 0.12 0.00 -0.01 0.00 0.00 64.34 65.37 3ii6 n VAL 67 Cb 0.00 -1.16 0.46 0.00 -0.91 0.00 0.00 33.84 32.23 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 -1.12 -1.38 0.09 2.92 0.00 0.02 -1.21 105.19 104.51 3ii6 n GLY 68 Ca 0.02 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3ii6 n GLY 68 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ii6 h GLU 69 N 0.00 0.08 0.37 1.61 4.39 0.28 -2.98 114.58 118.32 3ii6 h GLU 69 Ca 0.00 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 3ii6 h GLU 69 Cb 0.46 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3ii6 h GLU 69 CO 0.00 0.77 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.37 3ii6 h LEU 70 N 0.02 -0.42 -1.91 1.33 3.38 0.28 0.43 115.31 118.41 3ii6 h LEU 70 Ca -0.25 -0.01 0.25 0.00 0.09 0.00 0.00 57.88 57.95 3ii6 h LEU 70 Cb 1.98 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.80 3ii6 h LEU 70 CO 0.10 0.03 0.70 0.08 0.09 0.00 0.00 178.44 179.43 3ii6 h ARG 71 N -1.12 0.00 0.31 1.13 0.11 -1.33 2.36 114.38 115.84 3ii6 h ARG 71 Ca -0.05 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 3ii6 h ARG 71 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3ii6 h ARG 71 CO 0.08 0.00 -0.15 0.87 0.10 0.00 0.00 179.97 180.87 3ii6 h LYS 72 N 0.00 -0.41 0.00 0.08 1.57 -1.54 -2.76 116.57 113.52 3ii6 h LYS 72 Ca 0.40 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3ii6 h LYS 72 Cb 1.79 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.19 3ii6 h LYS 72 CO -0.00 -0.19 0.00 0.00 -0.57 0.00 0.00 179.45 178.68 3ii6 n ALA 73 N -2.71 1.84 0.08 3.86 0.00 1.00 -3.40 120.51 121.18 3ii6 n ALA 73 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3ii6 n ALA 73 Cb 0.21 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.03 0.29 -1.38 0.00 4.77 0.76 -4.76 117.00 115.65 3ii6 n LEU 74 Ca 0.07 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3ii6 n LEU 74 Cb 0.04 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3ii6 n LEU 74 CO 0.06 -0.68 0.81 0.18 -1.33 0.00 0.00 177.39 176.42 3ii6 n LEU 75 N -3.33 4.40 -0.59 2.23 4.77 -1.04 -4.92 117.00 118.52 3ii6 n LEU 75 Ca 0.00 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 3ii6 n LEU 75 Cb 0.05 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3ii6 n LEU 75 CO 0.00 0.81 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.59 3ii6 n SER 76 N 1.25 -3.31 -4.66 -1.43 7.64 -1.22 -4.93 113.62 106.96 3ii6 n SER 76 Ca 0.00 0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 3ii6 n SER 76 Cb 0.47 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 3ii6 n SER 76 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ii6 s VAL 83 N -0.58 2.96 0.42 0.44 1.01 -1.26 -4.73 120.40 118.66 3ii6 s VAL 83 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.09 3ii6 s VAL 83 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3ii6 s VAL 83 CO 0.00 -0.00 0.13 -0.31 0.00 0.00 0.00 175.10 174.92 3ii6 s TYR 84 N 4.20 2.51 -0.12 5.22 2.02 -1.26 -3.70 117.35 126.22 3ii6 s TYR 84 Ca 0.87 -0.64 -0.06 0.00 -0.37 0.00 0.00 57.07 56.87 3ii6 s TYR 84 Cb -0.43 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.28 3ii6 s TYR 84 CO 0.41 0.24 0.28 -0.08 -1.57 0.00 0.00 175.55 174.82 3ii6 s THR 85 N -2.65 -0.03 -0.10 -0.71 -1.32 -1.24 -4.96 115.64 104.62 3ii6 s THR 85 Ca 0.37 0.12 0.03 0.00 -1.21 0.00 0.00 61.69 61.00 3ii6 s THR 85 Cb 0.05 -0.42 0.01 0.00 -1.51 0.00 0.00 72.50 70.63 3ii6 s THR 85 CO 0.20 0.05 -0.18 -0.36 -2.21 0.00 0.00 174.62 172.12 3ii6 s PHE 86 N 1.16 2.13 -0.05 9.09 0.40 -1.26 -3.01 117.98 126.44 3ii6 s PHE 86 Ca -0.08 -0.93 -0.02 0.00 -0.60 0.00 0.00 56.93 55.30 3ii6 s PHE 86 Cb -0.09 -1.48 0.04 0.00 0.51 0.00 0.00 43.02 41.99 3ii6 s PHE 86 CO -0.08 -0.43 0.09 -0.80 0.70 0.00 0.00 175.22 174.70 3ii6 s ASN 87 N 0.68 0.44 -0.02 1.36 0.02 0.07 -1.91 114.94 115.59 3ii6 s ASN 87 Ca -0.12 0.16 0.02 0.00 -1.02 0.00 0.00 52.86 51.90 3ii6 s ASN 87 Cb -0.16 0.04 0.01 0.00 0.02 0.00 0.00 41.25 41.15 3ii6 s ASN 87 CO 0.03 -0.19 -0.06 0.12 0.02 0.00 0.00 177.10 177.02 3ii6 s PHE 88 N 1.62 0.69 -0.00 2.20 5.36 -1.26 -0.25 117.98 126.33 3ii6 s PHE 88 Ca -0.03 -0.16 0.08 0.00 -0.96 0.00 0.00 56.93 55.86 3ii6 s PHE 88 Cb -0.12 -0.52 -0.02 0.00 -0.34 0.00 0.00 43.02 42.02 3ii6 s PHE 88 CO -0.04 -0.08 -0.25 -1.12 -1.46 0.00 0.00 175.22 172.27 3ii6 s SER 89 N 0.27 3.19 0.24 6.13 0.01 -0.52 -4.93 113.70 118.07 3ii6 s SER 89 Ca -0.03 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.81 3ii6 s SER 89 Cb -0.08 -0.38 0.24 0.00 0.21 0.00 0.00 66.02 66.02 3ii6 s SER 89 CO -0.00 0.30 1.55 0.11 0.41 0.00 0.00 173.24 175.61 3ii6 h LYS 90 N 5.25 0.16 -0.09 12.44 1.57 -1.95 0.60 116.57 134.56 3ii6 h LYS 90 Ca -0.44 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.10 3ii6 h LYS 90 Cb 1.13 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.47 3ii6 h LYS 90 CO 0.46 0.75 -0.41 0.93 -0.57 0.00 0.00 179.45 180.61 3ii6 h GLU 91 N 0.12 0.43 0.00 3.15 3.07 -1.97 -3.36 114.58 116.02 3ii6 h GLU 91 Ca -0.01 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.40 3ii6 h GLU 91 Cb 1.16 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 3ii6 h GLU 91 CO 0.10 0.98 -0.57 0.66 -1.40 0.00 0.00 179.01 178.78 3ii6 h SER 92 N -0.02 0.00 0.00 1.42 4.64 -2.00 -3.48 113.55 114.11 3ii6 h SER 92 Ca -0.03 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 3ii6 h SER 92 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ii6 h SER 92 CO 0.09 1.14 0.00 0.00 -0.87 0.00 0.00 176.83 177.18 3ii6 n TYR 94 N -2.10 2.65 -4.21 0.00 9.36 -1.24 -0.66 117.16 120.96 3ii6 n TYR 94 Ca 0.00 0.17 -0.24 0.00 3.32 0.00 0.00 57.90 61.15 3ii6 n TYR 94 Cb 0.00 -2.61 -0.17 0.00 -0.63 0.00 0.00 39.34 35.93 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 0.68 1.29 0.18 2.98 2.19 0.24 -1.44 117.98 124.10 3ii6 s PHE 95 Ca 0.72 -0.53 0.06 0.00 0.33 0.00 0.00 56.93 57.50 3ii6 s PHE 95 Cb -0.54 -1.04 -0.05 0.00 -1.31 0.00 0.00 43.02 40.08 3ii6 s PHE 95 CO 0.39 -0.35 -0.11 -0.59 1.83 0.00 0.00 175.22 176.39 3ii6 s PHE 96 N 1.17 1.46 0.03 10.12 -0.12 0.65 0.39 117.98 131.67 3ii6 s PHE 96 Ca -0.06 -0.70 -0.06 0.00 -0.05 0.00 0.00 56.93 56.06 3ii6 s PHE 96 Cb -0.14 -0.73 -0.01 0.00 -0.63 0.00 0.00 43.02 41.52 3ii6 s PHE 96 CO -0.02 0.18 0.11 -0.59 -0.05 0.00 0.00 175.22 174.85 3ii6 s PHE 97 N -3.20 0.14 -0.07 3.49 -0.71 -0.53 -0.75 117.98 116.35 3ii6 s PHE 97 Ca 0.20 -0.38 -0.06 0.00 -1.04 0.00 0.00 56.93 55.64 3ii6 s PHE 97 Cb 0.02 -0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.74 3ii6 s PHE 97 CO 0.04 -0.34 0.19 -1.83 -1.34 0.00 0.00 175.22 171.93 3ii6 s GLU 98 N -2.23 0.21 -0.33 1.99 1.03 -1.16 -2.07 118.70 116.14 3ii6 s GLU 98 Ca -0.08 0.29 -0.28 0.00 0.03 0.00 0.00 54.97 54.92 3ii6 s GLU 98 Cb -0.03 0.08 -0.02 0.00 -0.80 0.00 0.00 34.13 33.36 3ii6 s GLU 98 CO -0.03 -0.04 1.77 0.21 -1.33 0.00 0.00 175.26 175.85 3ii6 s LYS 99 N 0.23 3.37 -0.37 -4.83 2.20 -0.94 -3.70 119.74 115.70 3ii6 s LYS 99 Ca -0.01 1.42 -0.23 0.00 -0.36 0.00 0.00 55.97 56.79 3ii6 s LYS 99 Cb -0.02 -4.18 0.01 0.00 -1.51 0.00 0.00 37.83 32.12 3ii6 s LYS 99 CO -0.01 -1.82 0.80 -0.80 -0.36 0.00 0.00 175.35 173.17 3ii6 s ASN 100 N 5.91 6.55 0.53 1.43 0.01 -1.24 -2.75 114.94 125.38 3ii6 s ASN 100 Ca 0.79 0.34 0.07 0.00 -0.71 0.00 0.00 52.86 53.36 3ii6 s ASN 100 Cb -0.22 -2.40 0.05 0.00 0.41 0.00 0.00 41.25 39.08 3ii6 s ASN 100 CO 0.34 -0.76 0.55 -0.76 -1.51 0.00 0.00 177.10 174.96 3ii6 s LEU 101 N 3.15 2.99 -0.39 0.60 1.43 -1.23 -4.78 118.68 120.46 3ii6 s LEU 101 Ca 0.32 -0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 52.15 3ii6 s LEU 101 Cb -0.13 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3ii6 s LEU 101 CO 0.17 -1.12 1.79 -0.75 0.23 0.00 0.00 176.35 176.68 3ii6 s LYS 102 N -4.41 3.19 0.00 1.70 2.20 -1.26 -4.15 119.74 117.01 3ii6 s LYS 102 Ca 0.47 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 3ii6 s LYS 102 Cb -0.04 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 3ii6 s LYS 102 CO 0.29 -2.04 0.00 -0.25 -0.36 0.00 0.00 175.35 173.00 3ii6 n ASP 103 N 10.78 0.00 -3.79 1.43 8.00 -1.26 -4.92 116.55 126.78 3ii6 n ASP 103 Ca 0.22 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.58 3ii6 n ASP 103 Cb 0.48 -0.98 0.02 0.00 -0.02 0.00 0.00 41.12 40.63 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 -1.91 0.00 -3.62 2.53 0.24 -1.26 -5.17 118.33 109.15 3ii6 n VAL 104 Ca 0.00 -1.27 -0.10 0.00 -2.04 0.00 0.00 64.34 60.93 3ii6 n VAL 104 Cb 0.00 -0.47 -0.07 0.00 -1.47 0.00 0.00 33.84 31.84 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 -3.13 -0.43 0.30 -1.34 0.15 -1.26 -3.48 113.70 104.52 3ii6 s SER 105 Ca 0.29 0.76 -0.12 0.00 0.70 0.00 0.00 55.95 57.58 3ii6 s SER 105 Cb -0.02 0.74 0.01 0.00 -1.71 0.00 0.00 66.02 65.04 3ii6 s SER 105 CO 0.19 -0.20 0.58 0.72 1.20 0.00 0.00 173.24 175.72 3ii6 s PHE 106 N -0.09 0.40 -0.13 3.44 -0.12 -1.11 -4.99 117.98 115.38 3ii6 s PHE 106 Ca 0.02 -0.82 -0.10 0.00 -0.05 0.00 0.00 56.93 55.99 3ii6 s PHE 106 Cb -0.04 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.64 3ii6 s PHE 106 CO -0.04 -1.19 0.19 0.50 -0.05 0.00 0.00 175.22 174.63 3ii6 s ARG 107 N -3.41 3.81 0.00 1.99 6.06 -1.26 -2.22 118.95 123.92 3ii6 s ARG 107 Ca 0.21 -0.06 0.00 0.00 -2.50 0.00 0.00 55.73 53.38 3ii6 s ARG 107 Cb -0.02 -3.29 0.00 0.00 0.06 0.00 0.00 34.95 31.70 3ii6 s ARG 107 CO 0.12 0.57 0.00 -0.11 -2.50 0.00 0.00 175.30 173.38 3ii6 n LEU 108 N 2.59 2.32 -3.62 -0.88 7.94 -1.18 -4.89 117.00 119.27 3ii6 n LEU 108 Ca -0.17 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.70 3ii6 n LEU 108 Cb 0.53 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.47 3ii6 n LEU 108 CO 0.35 0.38 1.13 -0.83 -1.11 0.00 0.00 177.39 177.30 3ii6 s GLY 109 N -4.11 -0.25 -0.33 -3.96 0.00 -0.88 -5.01 107.32 92.78 3ii6 s GLY 109 Ca 0.00 1.74 -0.08 0.00 0.00 0.00 0.00 44.72 46.38 3ii6 s GLY 109 CO 0.00 0.57 1.00 -1.35 0.00 0.00 0.00 173.10 173.32 3ii6 s SER 110 N -2.14 -0.49 -0.09 1.64 1.04 -1.26 -1.45 113.70 110.96 3ii6 s SER 110 Ca 0.11 -0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.08 3ii6 s SER 110 Cb -0.00 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 66.83 3ii6 s SER 110 CO -0.03 -0.06 0.86 -0.36 0.98 0.00 0.00 173.24 174.63 3ii6 s PHE 111 N 2.12 3.53 -1.20 5.02 0.40 0.16 -4.80 117.98 123.21 3ii6 s PHE 111 Ca 0.17 1.41 -0.20 0.00 -0.60 0.00 0.00 56.93 57.71 3ii6 s PHE 111 Cb 0.01 -3.01 0.04 0.00 0.51 0.00 0.00 43.02 40.57 3ii6 s PHE 111 CO -0.15 -0.10 1.71 -0.80 0.70 0.00 0.00 175.22 176.58 3ii6 s ASN 112 N 1.02 6.45 1.44 1.36 0.01 -1.26 0.82 114.94 124.77 3ii6 s ASN 112 Ca 0.43 -2.04 -0.24 0.00 -0.71 0.00 0.00 52.86 50.30 3ii6 s ASN 112 Cb -0.18 -2.58 0.37 0.00 0.41 0.00 0.00 41.25 39.27 3ii6 s ASN 112 CO 0.18 -1.57 0.92 0.18 -1.51 0.00 0.00 177.10 175.30 3ii6 n LEU 113 N 9.56 0.00 -3.07 0.60 4.77 0.17 -4.92 117.00 124.11 3ii6 n LEU 113 Ca 0.44 -0.94 -0.08 0.00 -0.03 0.00 0.00 56.01 55.40 3ii6 n LEU 113 Cb 0.47 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 3ii6 n LEU 113 CO 0.73 -2.70 0.01 -1.61 -1.33 0.00 0.00 177.39 172.49 3ii6 s GLU 114 N -5.18 0.91 0.77 3.23 2.02 -0.45 -4.74 118.70 115.27 3ii6 s GLU 114 Ca 0.68 -0.95 -0.11 0.00 0.02 0.00 0.00 54.97 54.61 3ii6 s GLU 114 Cb -0.11 -0.30 0.18 0.00 0.10 0.00 0.00 34.13 34.00 3ii6 s GLU 114 CO 0.56 -1.28 0.40 0.36 0.02 0.00 0.00 175.26 175.32 3ii6 n LYS 115 N 3.55 -2.34 -4.41 1.61 2.85 -1.26 -4.42 118.16 113.74 3ii6 n LYS 115 Ca 0.17 -0.68 -0.23 0.00 -1.05 0.00 0.00 58.31 56.51 3ii6 n LYS 115 Cb 0.53 -1.04 -0.08 0.00 -0.65 0.00 0.00 35.03 33.80 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 -1.57 0.26 -0.15 0.58 1.01 0.33 -4.75 120.40 116.11 3ii6 s VAL 116 Ca 0.31 -2.00 0.19 0.00 0.00 0.00 0.00 61.98 60.48 3ii6 s VAL 116 Cb -0.05 -2.38 -0.13 0.00 0.00 0.00 0.00 36.38 33.82 3ii6 s VAL 116 CO 0.26 0.00 0.81 1.21 0.00 0.00 0.00 175.10 177.38 3ii6 n GLU 117 N -0.81 0.62 -3.54 2.72 2.13 -1.26 -4.53 120.64 115.97 3ii6 n GLU 117 Ca 0.00 0.16 -0.40 0.00 0.66 0.00 0.00 57.16 57.58 3ii6 n GLU 117 Cb 0.63 -1.78 -0.05 0.00 0.27 0.00 0.00 31.44 30.52 3ii6 n GLU 117 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3ii6 s ASN 118 N -5.57 6.31 0.00 4.31 0.02 -1.26 -4.91 114.94 113.84 3ii6 s ASN 118 Ca -0.03 -3.44 0.04 0.00 -1.02 0.00 0.00 52.86 48.42 3ii6 s ASN 118 Cb 0.09 -2.01 0.26 0.00 0.02 0.00 0.00 41.25 39.61 3ii6 s ASN 118 CO 0.81 -0.28 0.99 -0.81 0.02 0.00 0.00 177.10 177.83 3ii6 n PRO 119 N 2.80 0.80 -0.01 -0.60 -0.05 -1.26 -2.99 135.00 133.69 3ii6 n PRO 119 Ca 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 63.50 63.62 3ii6 n PRO 119 Cb 0.39 -1.09 -0.01 0.00 -0.05 0.00 0.00 33.50 32.75 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 -0.59 2.88 0.01 0.55 0.00 -1.26 -4.13 120.51 117.98 3ii6 n ALA 120 Ca 0.03 -0.07 0.22 0.00 0.00 0.00 0.00 53.44 53.63 3ii6 n ALA 120 Cb 0.02 0.48 0.73 0.00 0.00 0.00 0.00 19.45 20.67 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 -0.06 0.00 0.09 0.00 4.81 -1.97 0.41 114.58 117.85 3ii6 h GLU 121 Ca -0.05 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 3ii6 h GLU 121 Cb 1.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.43 3ii6 h GLU 121 CO -0.03 0.00 -0.52 0.28 -0.73 0.00 0.00 179.01 178.01 3ii6 h VAL 122 N 0.00 1.61 -0.01 0.32 2.07 -1.79 -3.03 116.25 115.43 3ii6 h VAL 122 Ca 0.26 -2.47 -0.13 0.00 0.82 0.00 0.00 66.70 65.19 3ii6 h VAL 122 Cb 1.25 3.27 -0.02 0.00 -1.52 0.00 0.00 31.29 34.28 3ii6 h VAL 122 CO -0.00 0.68 -0.59 0.40 0.02 0.00 0.00 177.57 178.08 3ii6 h ILE 123 N -0.60 1.42 0.75 4.57 2.04 -1.59 -3.06 117.51 121.05 3ii6 h ILE 123 Ca -0.09 -2.01 -0.03 0.00 1.00 0.00 0.00 64.86 63.73 3ii6 h ILE 123 Cb 1.41 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3ii6 h ILE 123 CO 0.10 0.58 -0.44 0.03 0.00 0.00 0.00 178.15 178.41 3ii6 h ARG 124 N 0.02 -1.07 0.00 2.37 3.08 -0.32 -0.76 114.38 117.69 3ii6 h ARG 124 Ca -0.01 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3ii6 h ARG 124 Cb 1.04 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3ii6 h ARG 124 CO 0.08 -0.71 0.17 0.93 -1.07 0.00 0.00 179.97 179.37 3ii6 h GLU 125 N -1.11 0.00 0.00 0.04 3.07 -1.49 -1.65 114.58 113.43 3ii6 h GLU 125 Ca -0.10 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.33 3ii6 h GLU 125 Cb 0.88 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.72 3ii6 h GLU 125 CO 0.12 0.00 -2.49 -0.11 -1.40 0.00 0.00 179.01 175.13 3ii6 n LEU 126 N -2.96 2.24 -0.26 1.33 0.00 -1.15 -2.72 117.00 113.47 3ii6 n LEU 126 Ca -0.02 0.18 0.08 0.00 0.00 0.00 0.00 56.01 56.25 3ii6 n LEU 126 Cb 0.23 -0.82 0.33 0.00 0.00 0.00 0.00 43.42 43.15 3ii6 n LEU 126 CO 0.16 0.68 1.23 0.40 0.00 0.00 0.00 177.39 179.86 3ii6 h ILE 127 N -0.67 0.95 0.54 1.96 2.04 -1.04 -2.82 117.51 118.47 3ii6 h ILE 127 Ca -0.65 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3ii6 h ILE 127 Cb 1.69 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3ii6 h ILE 127 CO -0.31 0.15 -0.26 0.00 0.00 0.00 0.00 178.15 177.73 3ii6 n TYR 129 N -5.37 -0.04 0.14 0.00 9.36 -1.10 0.10 117.16 120.25 3ii6 n TYR 129 Ca -0.12 1.21 -0.15 0.00 3.32 0.00 0.00 57.90 62.16 3ii6 n TYR 129 Cb 0.31 -0.82 -0.08 0.00 -0.63 0.00 0.00 39.34 38.12 3ii6 n TYR 129 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ii6 h LEU 131 N -0.72 0.70 -0.78 0.00 3.38 -0.17 0.33 115.31 118.05 3ii6 h LEU 131 Ca 0.00 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3ii6 h LEU 131 Cb 0.72 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3ii6 h LEU 131 CO -0.23 0.63 0.07 0.44 0.09 0.00 0.00 178.44 179.45 3ii6 h ASP 132 N 0.72 0.95 0.01 -0.43 5.19 -0.26 -0.27 116.42 122.33 3ii6 h ASP 132 Ca 0.18 -0.23 -0.26 0.00 -0.62 0.00 0.00 57.03 56.11 3ii6 h ASP 132 Cb 0.12 -0.25 0.02 0.00 0.18 0.00 0.00 39.33 39.40 3ii6 h ASP 132 CO -0.02 0.97 -1.01 0.74 -3.12 0.00 0.00 179.24 176.80 3ii6 h THR 133 N 0.93 1.29 -0.36 0.35 2.02 -0.25 -1.21 112.91 115.68 3ii6 h THR 133 Ca 0.18 -2.24 -0.09 0.00 0.77 0.00 0.00 66.41 65.04 3ii6 h THR 133 Cb 0.44 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 3ii6 h THR 133 CO 0.01 0.69 -0.14 0.00 0.37 0.00 0.00 175.52 176.46 3ii6 h THR 134 N 0.34 1.25 0.04 3.16 1.03 -0.32 -2.82 112.91 115.59 3ii6 h THR 134 Ca -0.13 -1.13 -0.22 0.00 -0.01 0.00 0.00 66.41 64.91 3ii6 h THR 134 Cb 1.67 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 69.86 3ii6 h THR 134 CO 0.20 0.38 -1.02 0.00 -0.01 0.00 0.00 175.52 175.07 3ii6 h ALA 135 N 1.28 0.35 -0.55 0.00 0.00 -0.95 -1.70 119.26 117.69 3ii6 h ALA 135 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3ii6 h ALA 135 Cb 0.57 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3ii6 h ALA 135 CO 0.04 1.02 0.35 0.93 0.00 0.00 0.00 179.25 181.58 3ii6 h GLU 136 N 0.07 0.73 -0.02 0.00 5.08 -1.14 -2.82 114.58 116.49 3ii6 h GLU 136 Ca -0.06 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.06 3ii6 h GLU 136 Cb 1.71 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 3ii6 h GLU 136 CO 0.15 0.50 -0.81 -0.91 -1.00 0.00 0.00 179.01 176.95 3ii6 h ASN 137 N 0.74 0.28 -0.68 1.42 -0.26 -1.38 -2.83 115.58 112.87 3ii6 h ASN 137 Ca 0.20 -0.21 0.10 0.00 -0.56 0.00 0.00 56.30 55.83 3ii6 h ASN 137 Cb -0.05 -0.08 -0.08 0.00 -1.06 0.00 0.00 38.32 37.05 3ii6 h ASN 137 CO -0.04 0.97 0.29 1.56 -1.06 0.00 0.00 177.43 179.15 3ii6 h GLN 138 N 0.13 0.48 -0.35 0.81 4.20 -1.07 0.51 115.11 119.82 3ii6 h GLN 138 Ca -0.04 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3ii6 h GLN 138 Cb 1.40 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3ii6 h GLN 138 CO 0.12 0.32 0.07 0.00 -0.67 0.00 0.00 178.83 178.67 3ii6 h ALA 139 N 1.44 0.47 -0.62 3.87 0.00 -1.34 -2.61 119.26 120.47 3ii6 h ALA 139 Ca 0.34 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3ii6 h ALA 139 Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ii6 h ALA 139 CO -0.31 0.16 0.03 0.87 0.00 0.00 0.00 179.25 180.00 3ii6 h LYS 140 N 0.42 1.07 -0.02 0.00 1.57 -1.26 -1.87 116.57 116.48 3ii6 h LYS 140 Ca 0.11 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 3ii6 h LYS 140 Cb 0.33 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3ii6 h LYS 140 CO 0.00 1.02 -0.28 -0.91 -0.57 0.00 0.00 179.45 178.72 3ii6 h ASN 141 N 0.98 0.04 -0.04 0.86 2.35 -0.86 0.52 115.58 119.43 3ii6 h ASN 141 Ca 0.18 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3ii6 h ASN 141 Cb 0.52 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3ii6 h ASN 141 CO 0.03 0.32 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.65 3ii6 h GLU 142 N 0.04 0.16 0.32 0.81 5.08 -0.99 -1.74 114.58 118.25 3ii6 h GLU 142 Ca 0.00 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3ii6 h GLU 142 Cb 0.51 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ii6 h GLU 142 CO 0.04 0.76 -0.15 0.45 -1.00 0.00 0.00 179.01 179.10 3ii6 h HIS 143 N -0.40 -0.39 -0.91 4.33 3.86 -1.04 -2.34 115.15 118.26 3ii6 h HIS 143 Ca -0.01 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.31 3ii6 h HIS 143 Cb 0.78 0.13 -0.07 0.00 1.06 0.00 0.00 27.41 29.31 3ii6 h HIS 143 CO 0.14 -0.21 0.58 -0.07 0.86 0.00 0.00 177.93 179.24 3ii6 h LEU 144 N -0.48 0.77 -0.74 2.43 3.38 -0.06 0.14 115.31 120.75 3ii6 h LEU 144 Ca -0.04 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3ii6 h LEU 144 Cb 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ii6 h LEU 144 CO 0.07 0.42 -0.32 -0.61 0.09 0.00 0.00 178.44 178.09 3ii6 h GLN 145 N 0.83 0.60 0.07 1.13 5.75 -1.01 -1.96 115.11 120.53 3ii6 h GLN 145 Ca 0.44 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3ii6 h GLN 145 Cb 0.54 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.08 3ii6 h GLN 145 CO -0.21 0.85 -0.04 0.87 -2.65 0.00 0.00 178.83 177.66 3ii6 h LYS 146 N 0.51 -0.10 -0.98 1.69 6.56 -0.85 -2.29 116.57 121.12 3ii6 h LYS 146 Ca 0.06 0.01 0.27 0.00 -1.06 0.00 0.00 60.65 59.93 3ii6 h LYS 146 Cb 0.81 0.02 -0.14 0.00 -0.57 0.00 0.00 32.23 32.35 3ii6 h LYS 146 CO 0.07 0.39 0.52 0.93 -2.06 0.00 0.00 179.45 179.30 3ii6 h GLU 147 N -0.64 0.40 0.00 3.15 5.08 -0.58 -2.24 114.58 119.75 3ii6 h GLU 147 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ii6 h GLU 147 Cb 0.53 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3ii6 h GLU 147 CO 0.02 0.27 -1.01 0.27 -1.00 0.00 0.00 179.01 177.55 3ii6 n ASN 148 N -5.01 0.73 -0.10 1.42 0.23 -0.75 -1.49 115.26 110.28 3ii6 n ASN 148 Ca 0.28 -0.59 -0.10 0.00 -0.53 0.00 0.00 54.58 53.63 3ii6 n ASN 148 Cb 0.82 0.92 -0.03 0.00 -2.08 0.00 0.00 39.78 39.41 3ii6 n ASN 148 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3ii6 h GLU 149 N 0.00 0.49 -0.13 -3.83 5.08 -1.19 -0.61 114.58 114.39 3ii6 h GLU 149 Ca 0.00 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3ii6 h GLU 149 Cb 0.60 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3ii6 h GLU 149 CO 0.00 0.55 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.40 3ii6 h ARG 150 N 0.33 -0.06 -0.49 2.33 2.43 -1.17 -1.64 114.38 116.12 3ii6 h ARG 150 Ca 0.10 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.36 3ii6 h ARG 150 Cb 0.28 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.74 3ii6 h ARG 150 CO 0.00 -0.04 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.05 3ii6 h LEU 151 N -0.06 -1.03 -0.88 3.80 3.38 -1.21 0.95 115.31 120.26 3ii6 h LEU 151 Ca 0.07 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3ii6 h LEU 151 Cb 0.17 0.51 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3ii6 h LEU 151 CO -0.17 -0.30 0.35 0.25 0.09 0.00 0.00 178.44 178.67 3ii6 h LEU 152 N -0.19 1.06 0.22 1.67 5.85 -1.05 -1.04 115.31 121.84 3ii6 h LEU 152 Ca 0.21 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3ii6 h LEU 152 Cb 0.53 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3ii6 h LEU 152 CO -0.60 0.92 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.12 3ii6 h ARG 153 N 1.14 -0.42 -0.87 1.25 2.43 -0.36 -1.36 114.38 116.21 3ii6 h ARG 153 Ca 0.27 0.03 0.25 0.00 -0.81 0.00 0.00 59.98 59.72 3ii6 h ARG 153 Cb 0.16 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3ii6 h ARG 153 CO -0.03 -0.28 0.65 -0.44 -1.51 0.00 0.00 179.97 178.36 3ii6 h ASP 154 N -0.43 0.00 0.12 -3.80 3.45 -0.73 -0.86 116.42 114.18 3ii6 h ASP 154 Ca -0.03 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.26 3ii6 h ASP 154 Cb 0.37 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 3ii6 h ASP 154 CO -0.02 0.00 -0.62 -0.25 -1.57 0.00 0.00 179.24 176.78 3ii6 h TRP 155 N 0.00 0.63 -0.01 4.55 7.01 -0.92 -2.77 115.95 124.45 3ii6 h TRP 155 Ca 0.41 -0.24 -0.19 0.00 2.11 0.00 0.00 58.89 60.98 3ii6 h TRP 155 Cb 1.70 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.64 3ii6 h TRP 155 CO 0.00 0.98 -0.84 -0.91 -2.79 0.00 0.00 178.44 174.88 3ii6 h ASN 156 N 0.36 0.26 0.22 2.65 -0.26 -0.02 -1.12 115.58 117.67 3ii6 h ASN 156 Ca -0.01 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.52 3ii6 h ASN 156 Cb 1.17 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 3ii6 h ASN 156 CO 0.11 0.98 -0.11 0.44 -1.06 0.00 0.00 177.43 177.80 3ii6 h ASP 157 N 0.12 -0.25 -0.89 5.81 3.32 -1.31 -2.50 116.42 120.72 3ii6 h ASP 157 Ca -0.04 -0.20 0.10 0.00 0.02 0.00 0.00 57.03 56.91 3ii6 h ASP 157 Cb 1.45 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 41.00 3ii6 h ASP 157 CO 0.13 0.08 0.57 0.58 -1.72 0.00 0.00 179.24 178.88 3ii6 h VAL 158 N -0.61 0.95 -0.32 -1.35 2.07 -1.51 -1.16 116.25 114.33 3ii6 h VAL 158 Ca -0.03 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3ii6 h VAL 158 Cb 0.44 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3ii6 h VAL 158 CO 0.05 0.16 0.15 -0.61 0.02 0.00 0.00 177.57 177.33 3ii6 h GLN 159 N 0.85 0.30 -0.34 1.57 -0.00 -1.14 0.36 115.11 116.72 3ii6 h GLN 159 Ca 0.42 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.98 3ii6 h GLN 159 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 3ii6 h GLN 159 CO -0.18 0.20 -0.04 0.78 0.00 0.00 0.00 178.83 179.59 3ii6 h GLY 160 N 0.31 0.68 0.42 2.39 0.00 -0.83 0.65 103.07 106.69 3ii6 h GLY 160 Ca 0.13 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 46.98 3ii6 h GLY 160 CO -0.10 0.49 -0.14 3.21 0.00 0.00 0.00 176.54 180.00 3ii6 h ARG 161 N 0.42 -0.13 -0.51 4.80 3.08 -1.00 -2.27 114.38 118.76 3ii6 h ARG 161 Ca 0.09 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3ii6 h ARG 161 Cb 0.52 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3ii6 h ARG 161 CO 0.03 -0.09 -0.01 0.35 -1.07 0.00 0.00 179.97 179.18 3ii6 h PHE 162 N -0.14 0.99 -0.67 3.04 3.04 -0.13 0.37 116.94 123.44 3ii6 h PHE 162 Ca 0.11 -0.18 0.04 0.00 3.98 0.00 0.00 57.97 61.93 3ii6 h PHE 162 Cb 0.30 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.52 3ii6 h PHE 162 CO -0.28 0.92 0.44 0.93 -2.02 0.00 0.00 178.31 178.30 3ii6 h GLU 163 N 0.77 0.74 -0.11 1.11 5.08 -0.76 -1.08 114.58 120.33 3ii6 h GLU 163 Ca 0.14 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 3ii6 h GLU 163 Cb 0.54 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3ii6 h GLU 163 CO 0.03 0.49 -0.51 0.87 -1.00 0.00 0.00 179.01 178.89 3ii6 h LYS 164 N 0.77 0.54 -0.94 2.33 6.56 0.25 -1.85 116.57 124.21 3ii6 h LYS 164 Ca 0.27 -0.43 0.16 0.00 -1.06 0.00 0.00 60.65 59.60 3ii6 h LYS 164 Cb 0.13 0.09 -0.08 0.00 -0.57 0.00 0.00 32.23 31.80 3ii6 h LYS 164 CO -0.08 1.06 0.60 0.00 -2.06 0.00 0.00 179.45 178.97 3ii6 h VAL 166 N 0.71 1.35 -0.74 0.00 2.07 -1.09 -1.19 116.25 117.36 3ii6 h VAL 166 Ca 0.50 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 3ii6 h VAL 166 Cb 0.82 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 3ii6 h VAL 166 CO -0.26 0.39 0.31 0.28 0.02 0.00 0.00 177.57 178.31 3ii6 h SER 167 N -0.00 1.01 -0.09 0.57 0.02 -1.06 -1.83 113.55 112.17 3ii6 h SER 167 Ca 0.02 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 3ii6 h SER 167 Cb 0.69 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3ii6 h SER 167 CO 0.04 0.90 -0.02 0.00 -1.14 0.00 0.00 176.83 176.61 3ii6 h ALA 168 N 1.15 1.62 0.06 3.77 0.00 -1.20 -1.09 119.26 123.57 3ii6 h ALA 168 Ca 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ii6 h ALA 168 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ii6 h ALA 168 CO -0.02 0.28 -0.03 -0.22 0.00 0.00 0.00 179.25 179.26 3ii6 h LYS 169 N 0.27 -0.07 -0.81 0.00 3.11 -0.87 0.16 116.57 118.36 3ii6 h LYS 169 Ca 0.06 0.00 0.19 0.00 -2.81 0.00 0.00 60.65 58.10 3ii6 h LYS 169 Cb 0.22 0.02 -0.12 0.00 -1.00 0.00 0.00 32.23 31.34 3ii6 h LYS 169 CO 0.01 0.48 0.25 0.93 -2.81 0.00 0.00 179.45 178.30 3ii6 h GLU 170 N -0.69 0.29 -0.17 1.90 5.08 -1.06 -0.88 114.58 119.04 3ii6 h GLU 170 Ca -0.01 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 3ii6 h GLU 170 Cb 0.59 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ii6 h GLU 170 CO 0.01 0.19 -0.31 0.00 -1.00 0.00 0.00 179.01 177.91 3ii6 h ALA 171 N 1.67 0.27 -0.18 3.43 0.00 -1.03 -2.19 119.26 121.23 3ii6 h ALA 171 Ca 0.48 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3ii6 h ALA 171 Cb 0.87 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3ii6 h ALA 171 CO -0.54 0.30 -0.15 1.25 0.00 0.00 0.00 179.25 180.11 3ii6 h LEU 172 N 0.16 -0.48 0.05 0.00 5.85 -0.40 0.17 115.31 120.66 3ii6 h LEU 172 Ca 0.01 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3ii6 h LEU 172 Cb 0.90 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3ii6 h LEU 172 CO 0.07 -0.19 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.51 3ii6 h GLU 173 N -0.16 -0.24 -0.22 1.25 5.08 -1.21 -0.83 114.58 118.25 3ii6 h GLU 173 Ca 0.11 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3ii6 h GLU 173 Cb 0.33 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3ii6 h GLU 173 CO -0.28 -0.16 0.04 0.00 -1.00 0.00 0.00 179.01 177.61 3ii6 h THR 174 N -0.25 1.22 -0.30 1.13 1.03 -1.01 -1.08 112.91 113.65 3ii6 h THR 174 Ca 0.03 -0.73 0.06 0.00 -0.01 0.00 0.00 66.41 65.76 3ii6 h THR 174 Cb 0.28 1.28 -0.08 0.00 -1.07 0.00 0.00 68.15 68.57 3ii6 h THR 174 CO -0.10 0.23 -0.44 -0.78 -0.01 0.00 0.00 175.52 174.42 3ii6 h ASP 175 N 0.16 -1.42 -0.10 0.00 3.58 -0.65 0.16 116.42 118.14 3ii6 h ASP 175 Ca 0.07 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.72 3ii6 h ASP 175 Cb 0.31 0.60 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 3ii6 h ASP 175 CO 0.00 -0.40 0.07 -0.07 -2.88 0.00 0.00 179.24 175.97 3ii6 h LEU 176 N -0.40 0.12 -1.01 2.28 3.38 -1.14 -2.75 115.31 115.80 3ii6 h LEU 176 Ca 0.11 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.20 3ii6 h LEU 176 Cb 0.60 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 3ii6 h LEU 176 CO -0.51 0.09 0.63 1.88 0.09 0.00 0.00 178.44 180.62 3ii6 h TYR 177 N 0.14 1.14 -0.61 1.13 -1.99 -1.14 -1.41 116.97 114.23 3ii6 h TYR 177 Ca 0.04 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.83 3ii6 h TYR 177 Cb -0.01 -0.36 -0.04 0.00 2.00 0.00 0.00 36.73 38.32 3ii6 h TYR 177 CO -0.07 0.42 0.36 0.87 -0.00 0.00 0.00 178.16 179.74 3ii6 h LYS 178 N 0.96 0.69 -0.34 4.88 1.57 -0.38 -1.20 116.57 122.75 3ii6 h LYS 178 Ca 0.51 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.16 3ii6 h LYS 178 Cb 0.55 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3ii6 h LYS 178 CO -0.28 0.46 -0.15 0.00 -0.57 0.00 0.00 179.45 178.90 3ii6 h ARG 179 N 0.71 0.70 -0.30 3.15 3.08 -1.37 -2.75 114.38 117.59 3ii6 h ARG 179 Ca 0.25 -0.30 0.06 0.00 0.07 0.00 0.00 59.98 60.07 3ii6 h ARG 179 Cb 0.06 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 3ii6 h ARG 179 CO -0.12 0.90 -0.39 0.35 -1.07 0.00 0.00 179.97 179.64 3ii6 h PHE 180 N 0.47 -1.12 -0.69 3.04 3.57 -1.20 -2.21 116.94 118.80 3ii6 h PHE 180 Ca 0.08 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.78 3ii6 h PHE 180 Cb 0.68 0.53 -0.11 0.00 2.79 0.00 0.00 35.95 39.84 3ii6 h PHE 180 CO 0.06 -0.43 0.06 0.82 -2.23 0.00 0.00 178.31 176.59 3ii6 h ILE 181 N -0.36 0.46 0.13 1.41 1.08 -1.18 0.52 117.51 119.57 3ii6 h ILE 181 Ca 0.12 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3ii6 h ILE 181 Cb 0.58 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 3ii6 h ILE 181 CO -0.50 0.03 -0.11 -0.07 -0.69 0.00 0.00 178.15 176.81 3ii6 h LEU 182 N 0.16 -0.28 -0.19 1.44 3.38 -1.30 -0.04 115.31 118.48 3ii6 h LEU 182 Ca 0.38 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 3ii6 h LEU 182 Cb 0.64 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3ii6 h LEU 182 CO -0.56 -0.17 0.06 0.58 0.09 0.00 0.00 178.44 178.44 3ii6 h VAL 183 N -0.25 1.19 -0.39 1.22 2.07 -1.14 -2.43 116.25 116.52 3ii6 h VAL 183 Ca -0.00 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.01 3ii6 h VAL 183 Cb 0.23 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 3ii6 h VAL 183 CO -0.02 0.19 -0.18 0.25 0.02 0.00 0.00 177.57 177.83 3ii6 h LEU 184 N 0.13 -0.62 -0.95 2.57 5.85 0.03 -2.54 115.31 119.78 3ii6 h LEU 184 Ca 0.06 0.15 0.11 0.00 0.84 0.00 0.00 57.88 59.03 3ii6 h LEU 184 Cb 0.23 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 3ii6 h LEU 184 CO -0.00 -0.21 0.58 0.78 -0.34 0.00 0.00 178.44 179.25 3ii6 h ASN 185 N -0.11 0.86 0.53 1.25 4.21 -0.94 -1.13 115.58 120.26 3ii6 h ASN 185 Ca 0.19 0.04 -0.06 0.00 1.21 0.00 0.00 56.30 57.69 3ii6 h ASN 185 Cb 0.40 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 3ii6 h ASN 185 CO -0.46 0.48 -0.27 -0.33 -1.29 0.00 0.00 177.43 175.56 3ii6 h GLU 186 N 0.95 0.00 -0.07 0.81 4.39 -1.01 -1.94 114.58 117.71 3ii6 h GLU 186 Ca 0.46 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.14 3ii6 h GLU 186 Cb 0.41 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3ii6 h GLU 186 CO -0.25 0.27 -0.02 0.87 -1.16 0.00 0.00 179.01 178.72 3ii6 h LYS 187 N 0.00 0.13 -0.80 2.33 1.79 -1.02 -2.20 116.57 116.81 3ii6 h LYS 187 Ca -0.00 -0.05 0.19 0.00 -2.18 0.00 0.00 60.65 58.60 3ii6 h LYS 187 Cb 0.60 -0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 31.13 3ii6 h LYS 187 CO 0.03 0.48 0.21 0.87 -1.08 0.00 0.00 179.45 179.96 3ii6 h LYS 188 N -0.22 0.26 -0.75 3.15 1.57 -1.31 0.18 116.57 119.45 3ii6 h LYS 188 Ca 0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3ii6 h LYS 188 Cb 0.43 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ii6 h LYS 188 CO 0.01 0.17 0.36 1.15 -0.57 0.00 0.00 179.45 180.56 3ii6 h THR 189 N 0.26 1.24 -0.10 -0.16 2.02 -1.37 -1.75 112.91 113.05 3ii6 h THR 189 Ca 0.47 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 3ii6 h THR 189 Cb 0.85 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3ii6 h THR 189 CO -0.56 0.29 -0.22 0.50 0.37 0.00 0.00 175.52 175.89 3ii6 h LYS 190 N 1.05 0.33 -0.99 6.66 1.63 -0.71 -1.71 116.57 122.83 3ii6 h LYS 190 Ca 0.26 -0.22 0.23 0.00 -0.85 0.00 0.00 60.65 60.06 3ii6 h LYS 190 Cb 0.12 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 31.69 3ii6 h LYS 190 CO -0.03 0.82 0.63 0.82 -3.45 0.00 0.00 179.45 178.24 3ii6 h ILE 191 N -0.12 0.62 -0.10 2.00 2.04 -0.56 -1.35 117.51 120.04 3ii6 h ILE 191 Ca 0.00 -0.18 -0.19 0.00 1.00 0.00 0.00 64.86 65.49 3ii6 h ILE 191 Cb 0.82 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3ii6 h ILE 191 CO 0.05 0.10 -0.69 -0.09 0.00 0.00 0.00 178.15 177.51 3ii6 h ARG 192 N 0.53 0.64 -0.34 2.37 9.65 -0.97 -1.42 114.38 124.83 3ii6 h ARG 192 Ca 0.56 -0.56 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3ii6 h ARG 192 Cb 1.22 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.91 3ii6 h ARG 192 CO -0.30 1.17 0.08 1.03 2.80 0.00 0.00 179.97 184.75 3ii6 h SER 193 N 0.29 0.52 -0.37 -3.80 0.87 -0.61 -0.60 113.55 109.85 3ii6 h SER 193 Ca -0.06 -0.23 -0.14 0.00 -1.23 0.00 0.00 61.79 60.12 3ii6 h SER 193 Cb 1.34 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 3ii6 h SER 193 CO 0.14 0.62 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.69 3ii6 h LEU 194 N 0.40 0.94 -0.36 2.23 3.38 -1.17 -0.07 115.31 120.67 3ii6 h LEU 194 Ca 0.11 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.75 3ii6 h LEU 194 Cb 0.30 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3ii6 h LEU 194 CO 0.00 1.17 -0.04 -0.74 0.09 0.00 0.00 178.44 178.92 3ii6 h HIS 195 N 0.76 -0.10 -0.27 1.13 2.76 -1.09 0.17 115.15 118.51 3ii6 h HIS 195 Ca 0.08 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.10 3ii6 h HIS 195 Cb 0.88 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.94 3ii6 h HIS 195 CO 0.05 -0.11 -0.56 -0.91 -1.30 0.00 0.00 177.93 175.11 3ii6 h ASN 196 N 0.05 0.91 0.30 3.26 -0.26 -0.88 -2.26 115.58 116.70 3ii6 h ASN 196 Ca 0.17 -0.49 -0.08 0.00 -0.56 0.00 0.00 56.30 55.34 3ii6 h ASN 196 Cb 0.25 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 3ii6 h ASN 196 CO -0.33 1.27 -0.36 0.50 -1.06 0.00 0.00 177.43 177.45 3ii6 h LYS 197 N 0.62 0.10 0.03 0.81 3.11 -0.79 -2.07 116.57 118.38 3ii6 h LYS 197 Ca 0.01 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 57.66 3ii6 h LYS 197 Cb 1.15 -0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.39 3ii6 h LYS 197 CO 0.12 0.45 -0.60 1.25 -2.81 0.00 0.00 179.45 177.86 3ii6 h LEU 198 N 0.08 0.47 -0.72 5.20 6.46 -0.32 -3.11 115.31 123.37 3ii6 h LEU 198 Ca 0.01 -0.81 0.14 0.00 -0.12 0.00 0.00 57.88 57.10 3ii6 h LEU 198 Cb 0.69 -0.15 -0.14 0.00 -0.73 0.00 0.00 40.66 40.33 3ii6 h LEU 198 CO 0.05 1.23 -0.24 0.25 -0.62 0.00 0.00 178.44 179.11 3ii6 h LEU 199 N -0.22 -0.87 0.00 2.25 5.85 -1.27 -2.31 115.31 118.74 3ii6 h LEU 199 Ca -0.08 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3ii6 h LEU 199 Cb 1.34 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.89 3ii6 h LEU 199 CO 0.12 -0.27 0.00 0.59 -0.34 0.00 0.00 178.44 178.54 3ii6 n ASN 200 N -5.48 0.00 0.00 1.25 5.03 -0.79 -5.12 115.26 110.15 3ii6 n ASN 200 Ca 0.09 -1.49 0.00 0.00 0.87 0.00 0.00 54.58 54.05 3ii6 n ASN 200 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 3ii6 n ASN 200 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43