#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5h s LYS 17 N 0.00 4.51 4.58 0.38 2.47 0.23 -4.09 119.74 127.83 1a5h s LYS 17 Ca 0.00 1.11 0.00 0.00 -1.56 0.00 0.00 55.97 55.52 1a5h s LYS 17 Cb 0.00 -3.39 0.00 0.00 -1.46 0.00 0.00 37.83 32.98 1a5h s LYS 17 CO 0.00 0.21 0.00 0.41 0.16 0.00 0.00 175.35 176.13 1a5h n GLY 18 N 2.54 1.39 7.00 5.54 0.00 -1.25 -1.72 105.19 118.69 1a5h n GLY 18 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1a5h n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5h n GLY 19 N 0.00 0.09 3.21 -0.02 0.00 -1.26 -4.93 105.19 102.28 1a5h n GLY 19 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 1a5h n GLY 19 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1a5h s LEU 20 N 0.00 1.40 0.22 0.99 2.34 -0.14 -4.98 118.68 118.51 1a5h s LEU 20 Ca 0.00 -0.65 -0.30 0.00 0.06 0.00 0.00 54.13 53.24 1a5h s LEU 20 Cb 0.00 1.05 -0.09 0.00 -0.56 0.00 0.00 46.19 46.59 1a5h s LEU 20 CO 0.00 -0.73 1.34 -0.36 -1.06 0.00 0.00 176.35 175.54 1a5h s PHE 21 N -3.86 3.19 0.10 3.48 0.08 -1.26 -1.06 117.98 118.65 1a5h s PHE 21 Ca 0.05 1.18 0.06 0.00 0.12 0.00 0.00 56.93 58.34 1a5h s PHE 21 Cb 0.05 -3.66 -0.03 0.00 -0.57 0.00 0.00 43.02 38.80 1a5h s PHE 21 CO -0.11 -2.08 -0.15 0.00 -0.10 0.00 0.00 175.22 172.78 1a5h s ALA 22 N 0.04 1.39 -0.01 5.36 0.00 -0.49 -4.84 121.76 123.21 1a5h s ALA 22 Ca 0.57 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 1a5h s ALA 22 Cb -0.38 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1a5h s ALA 22 CO 0.40 0.15 0.38 -0.51 0.00 0.00 0.00 175.76 176.18 1a5h s ASP 23 N -2.12 6.76 0.46 0.00 1.11 -1.26 -4.34 116.67 117.28 1a5h s ASP 23 Ca 0.04 0.90 0.31 0.00 0.18 0.00 0.00 52.55 53.98 1a5h s ASP 23 Cb -0.07 -2.23 1.41 0.00 1.07 0.00 0.00 42.92 43.10 1a5h s ASP 23 CO 0.03 0.33 1.69 -0.29 1.18 0.00 0.00 175.17 178.11 1a5h h ILE 24 N 3.69 0.26 -0.01 0.77 6.09 -1.87 0.15 117.51 126.59 1a5h h ILE 24 Ca -0.52 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 1a5h h ILE 24 Cb 1.22 0.12 -0.00 0.00 0.47 0.00 0.00 36.82 38.63 1a5h h ILE 24 CO 0.61 0.02 0.10 0.00 -3.07 0.00 0.00 178.15 175.82 1a5h h ALA 25 N 1.49 1.16 0.00 0.18 0.00 -1.84 0.22 119.26 120.47 1a5h h ALA 25 Ca 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1a5h h ALA 25 Cb 2.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1a5h h ALA 25 CO -0.26 -0.11 -0.35 0.43 0.00 0.00 0.00 179.25 178.96 1a5h n SER 26 N -3.10 0.53 -2.92 0.00 7.64 0.51 -4.24 113.62 112.04 1a5h n SER 26 Ca -0.02 0.19 -0.13 0.00 1.01 0.00 0.00 58.87 59.91 1a5h n SER 26 Cb 0.17 -0.13 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 1a5h n SER 26 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1a5h n HIS 27 N -1.86 -0.67 0.18 1.43 8.25 0.68 -4.99 115.22 118.25 1a5h n HIS 27 Ca 0.05 -2.99 0.13 0.00 -0.26 0.00 0.00 57.72 54.65 1a5h n HIS 27 Cb 0.39 0.32 0.42 0.00 1.12 0.00 0.00 29.99 32.23 1a5h n HIS 27 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1a5h h PRO 28 N 2.89 0.00 -0.00 -0.41 0.11 -1.51 0.47 132.00 133.55 1a5h h PRO 28 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1a5h h PRO 28 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1a5h h PRO 28 CO 0.35 0.00 -0.17 -2.67 -0.21 0.00 0.00 178.00 175.30 1a5h n TRP 29 N -2.93 0.00 -2.43 0.65 2.14 -1.03 -2.42 117.44 111.42 1a5h n TRP 29 Ca 0.05 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.21 1a5h n TRP 29 Cb 0.89 -0.22 -0.04 0.00 -0.81 0.00 0.00 31.31 31.14 1a5h n TRP 29 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1a5h s GLN 30 N -2.60 4.54 -0.01 -2.67 -1.52 0.15 -0.56 119.66 117.00 1a5h s GLN 30 Ca 0.24 1.82 0.06 0.00 -1.95 0.00 0.00 55.36 55.54 1a5h s GLN 30 Cb 0.19 -3.24 -0.02 0.00 -0.22 0.00 0.00 33.01 29.73 1a5h s GLN 30 CO 0.51 0.01 -0.20 0.00 -0.25 0.00 0.00 175.29 175.37 1a5h s ALA 31 N -0.32 1.64 -0.25 6.09 0.00 0.38 -4.57 121.76 124.73 1a5h s ALA 31 Ca 0.50 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 1a5h s ALA 31 Cb -0.32 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1a5h s ALA 31 CO 0.37 0.40 0.08 0.00 0.00 0.00 0.00 175.76 176.61 1a5h s ALA 32 N -0.51 3.19 -0.23 0.00 0.00 -0.81 -0.31 121.76 123.08 1a5h s ALA 32 Ca 0.07 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 1a5h s ALA 32 Cb -0.08 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 1a5h s ALA 32 CO -0.00 -0.49 0.05 0.42 0.00 0.00 0.00 175.76 175.74 1a5h s ILE 33 N 1.62 4.24 0.17 0.00 1.01 -0.22 -0.18 121.20 127.84 1a5h s ILE 33 Ca 0.06 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1a5h s ILE 33 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1a5h s ILE 33 CO 0.04 0.37 0.03 -0.36 0.00 0.00 0.00 174.94 175.03 1a5h s PHE 34 N 1.34 2.91 0.08 3.97 0.40 0.40 -0.25 117.98 126.83 1a5h s PHE 34 Ca 0.05 -0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 1a5h s PHE 34 Cb -0.15 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 1a5h s PHE 34 CO 0.03 0.52 0.07 0.00 0.70 0.00 0.00 175.22 176.53 1a5h s ALA 35 N -1.74 0.33 0.00 5.36 0.00 0.26 -0.86 121.76 125.10 1a5h s ALA 35 Ca 0.28 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1a5h s ALA 35 Cb -0.09 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1a5h s ALA 35 CO 0.20 -0.45 0.00 0.36 0.00 0.00 0.00 175.76 175.87 1a5h n LYS 36 N 0.00 2.98 0.00 0.00 2.85 -1.22 0.22 118.16 122.99 1a5h n LYS 36 Ca -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1a5h n LYS 36 Cb 0.62 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.00 1a5h n LYS 36 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1a5h n HIS 37 N -0.12 0.00 0.00 5.58 8.25 -1.22 -4.82 115.22 122.89 1a5h n HIS 37 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1a5h n HIS 37 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1a5h n HIS 37 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1a5h n ARG 37 N 0.00 -0.17 -3.59 -0.41 1.74 -1.26 -4.39 116.66 108.59 1a5h n ARG 37 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1a5h n ARG 37 Cb 0.00 -0.27 0.05 0.00 -1.02 0.00 0.00 32.46 31.23 1a5h n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1a5h n SER 37 N 0.25 -1.86 0.10 0.55 7.64 -1.26 -4.92 113.62 114.12 1a5h n SER 37 Ca 0.00 -0.76 -0.05 0.00 1.01 0.00 0.00 58.87 59.07 1a5h n SER 37 Cb 0.00 -4.44 0.06 0.00 -1.01 0.00 0.00 64.21 58.82 1a5h n SER 37 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1a5h h PRO 37 N -1.84 0.08 0.00 1.43 0.13 -1.99 -3.47 132.00 126.34 1a5h h PRO 37 Ca -0.61 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1a5h h PRO 37 Cb 1.35 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1a5h h PRO 37 CO 0.53 0.80 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 1a5h n GLY 37 N 0.63 1.46 3.61 1.56 0.00 -1.26 -5.08 105.19 106.12 1a5h n GLY 37 Ca -0.02 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1a5h n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a5h s GLU 38 N -1.99 4.04 0.20 1.61 2.02 -1.26 -3.45 118.70 119.87 1a5h s GLU 38 Ca 0.00 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.07 1a5h s GLU 38 Cb 0.00 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 1a5h s GLU 38 CO 0.00 -0.26 0.40 -0.98 0.02 0.00 0.00 175.26 174.44 1a5h s ARG 39 N 2.02 3.54 -0.07 1.61 1.70 0.59 -4.76 118.95 123.57 1a5h s ARG 39 Ca 0.16 -0.29 -0.30 0.00 -0.47 0.00 0.00 55.73 54.84 1a5h s ARG 39 Cb -0.16 -2.83 -0.05 0.00 -0.57 0.00 0.00 34.95 31.35 1a5h s ARG 39 CO 0.10 0.40 1.56 0.12 -1.08 0.00 0.00 175.30 176.39 1a5h s PHE 40 N -1.86 2.19 -0.04 5.89 2.19 -1.26 -0.58 117.98 124.52 1a5h s PHE 40 Ca 0.39 0.39 -0.03 0.00 0.33 0.00 0.00 56.93 58.01 1a5h s PHE 40 Cb -0.11 -3.82 -0.01 0.00 -1.31 0.00 0.00 43.02 37.77 1a5h s PHE 40 CO 0.29 -3.35 -0.05 -0.11 1.83 0.00 0.00 175.22 173.82 1a5h n LEU 41 N 6.95 0.49 -3.97 6.12 7.94 0.65 -4.91 117.00 130.27 1a5h n LEU 41 Ca 0.16 0.33 -0.11 0.00 -1.11 0.00 0.00 56.01 55.29 1a5h n LEU 41 Cb 0.43 -0.60 -0.02 0.00 0.53 0.00 0.00 43.42 43.76 1a5h n LEU 41 CO 0.61 -0.49 0.29 0.00 -1.11 0.00 0.00 177.39 176.69 1a5h s GLY 43 N -3.11 1.67 0.20 0.00 0.00 -0.33 -1.06 107.32 104.69 1a5h s GLY 43 Ca 0.23 -1.15 -0.04 0.00 0.00 0.00 0.00 44.72 43.76 1a5h s GLY 43 CO 0.14 -0.93 0.21 -0.32 0.00 0.00 0.00 173.10 172.19 1a5h s GLY 44 N -4.30 1.12 -0.12 0.20 0.00 0.58 -3.87 107.32 100.93 1a5h s GLY 44 Ca 0.52 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1a5h s GLY 44 CO 0.38 -1.19 -0.06 -0.42 0.00 0.00 0.00 173.10 171.81 1a5h s ILE 45 N -4.10 0.97 -0.46 0.90 1.01 0.71 -0.47 121.20 119.76 1a5h s ILE 45 Ca 0.32 -0.31 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 1a5h s ILE 45 Cb 0.05 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.50 1a5h s ILE 45 CO 0.09 0.31 1.39 -0.22 0.00 0.00 0.00 174.94 176.51 1a5h s LEU 46 N 1.72 3.53 -0.22 2.97 2.96 0.27 -0.01 118.68 129.91 1a5h s LEU 46 Ca 0.04 0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 54.53 1a5h s LEU 46 Cb -0.13 -3.40 -0.19 0.00 0.50 0.00 0.00 46.19 42.97 1a5h s LEU 46 CO -0.08 -1.51 -0.04 2.30 -1.32 0.00 0.00 176.35 175.71 1a5h n ILE 47 N 7.00 1.59 -4.19 6.68 -5.35 -0.88 -1.55 119.36 122.66 1a5h n ILE 47 Ca 0.15 -0.52 -0.12 0.00 -0.27 0.00 0.00 62.75 61.99 1a5h n ILE 47 Cb 0.48 -1.64 -0.10 0.00 -1.74 0.00 0.00 39.64 36.65 1a5h n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1a5h s SER 48 N -6.85 0.40 0.32 7.28 1.04 -0.93 -4.44 113.70 110.52 1a5h s SER 48 Ca -0.31 -1.29 0.09 0.00 0.48 0.00 0.00 55.95 54.91 1a5h s SER 48 Cb 0.09 0.30 0.93 0.00 0.10 0.00 0.00 66.02 67.44 1a5h s SER 48 CO 0.63 -0.76 1.65 -1.28 0.98 0.00 0.00 173.24 174.46 1a5h h SER 49 N 2.71 0.26 -0.15 7.02 0.87 -1.95 -1.90 113.55 120.41 1a5h h SER 49 Ca -0.36 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1a5h h SER 49 Cb 1.22 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 1a5h h SER 49 CO 0.57 -0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.71 1a5h s TRP 51 N -1.57 0.88 0.00 0.00 0.52 -0.71 0.30 118.94 118.36 1a5h s TRP 51 Ca 0.19 -0.26 0.04 0.00 0.02 0.00 0.00 56.10 56.09 1a5h s TRP 51 Cb 0.14 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.72 1a5h s TRP 51 CO 0.07 -0.19 -0.12 0.96 0.02 0.00 0.00 176.95 177.69 1a5h s ILE 52 N 0.77 0.93 0.39 2.03 -5.25 -0.76 -2.06 121.20 117.25 1a5h s ILE 52 Ca -0.12 -0.60 0.00 0.00 -0.99 0.00 0.00 60.65 58.95 1a5h s ILE 52 Cb -0.14 -0.80 -0.02 0.00 2.95 0.00 0.00 42.46 44.45 1a5h s ILE 52 CO 0.01 0.19 0.60 -0.76 -1.79 0.00 0.00 174.94 173.19 1a5h s LEU 53 N -0.47 3.85 0.00 0.37 1.43 0.99 -0.21 118.68 124.65 1a5h s LEU 53 Ca 0.03 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.47 1a5h s LEU 53 Cb -0.05 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.93 1a5h s LEU 53 CO -0.00 -0.47 0.21 -0.24 0.23 0.00 0.00 176.35 176.08 1a5h n SER 54 N -1.91 -0.53 -4.72 2.29 2.88 -0.53 -0.21 113.62 110.88 1a5h n SER 54 Ca -0.02 -1.35 -0.36 0.00 -1.33 0.00 0.00 58.87 55.81 1a5h n SER 54 Cb 0.57 0.89 -0.08 0.00 -0.75 0.00 0.00 64.21 64.84 1a5h n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5h s ALA 55 N -1.26 3.65 0.30 -1.46 0.00 -1.26 -1.63 121.76 120.10 1a5h s ALA 55 Ca 0.04 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1a5h s ALA 55 Cb -0.01 -2.26 0.76 0.00 0.00 0.00 0.00 23.12 21.61 1a5h s ALA 55 CO 0.03 0.08 1.76 0.00 0.00 0.00 0.00 175.76 177.63 1a5h h ALA 56 N 6.80 1.66 -0.06 0.00 0.00 -1.72 -1.21 119.26 124.74 1a5h h ALA 56 Ca -0.40 0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1a5h h ALA 56 Cb 1.16 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1a5h h ALA 56 CO 0.75 -0.12 0.08 1.12 0.00 0.00 0.00 179.25 181.08 1a5h h HIS 57 N 0.69 0.00 0.00 0.00 2.07 -1.91 -0.21 115.15 115.79 1a5h h HIS 57 Ca 0.59 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 58.06 1a5h h HIS 57 Cb 0.98 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.95 1a5h h HIS 57 CO -0.02 0.00 -0.21 0.00 -3.07 0.00 0.00 177.93 174.63 1a5h n PHE 59 N -3.93 2.19 0.25 0.00 3.72 -0.09 -4.56 117.46 115.04 1a5h n PHE 59 Ca -0.02 -0.92 0.12 0.00 -0.05 0.00 0.00 57.45 56.59 1a5h n PHE 59 Cb 0.30 -0.58 0.61 0.00 -0.94 0.00 0.00 39.48 38.87 1a5h n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1a5h h GLN 60 N 3.42 0.00 -0.29 -1.08 4.20 -1.57 -1.80 115.11 117.97 1a5h h GLN 60 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1a5h h GLN 60 Cb 2.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.88 1a5h h GLN 60 CO 0.58 0.00 0.00 -1.91 -0.67 0.00 0.00 178.83 176.83 1a5h n GLU 60 N -2.35 1.90 -3.54 1.46 2.13 -1.26 -4.98 120.64 114.01 1a5h n GLU 60 Ca -0.00 -1.38 -0.18 0.00 0.66 0.00 0.00 57.16 56.26 1a5h n GLU 60 Cb 0.11 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1a5h n GLU 60 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1a5h n ARG 60 N 0.60 -1.53 -2.87 5.31 1.74 -0.68 -4.95 116.66 114.28 1a5h n ARG 60 Ca 0.15 1.05 -0.35 0.00 -0.77 0.00 0.00 57.85 57.94 1a5h n ARG 60 Cb 0.36 -3.38 -0.07 0.00 -1.02 0.00 0.00 32.46 28.35 1a5h n ARG 60 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1a5h s PHE 60 N -2.89 3.49 -0.23 -1.55 0.08 -1.26 -5.02 117.98 110.60 1a5h s PHE 60 Ca 0.03 1.61 -0.29 0.00 0.12 0.00 0.00 56.93 58.40 1a5h s PHE 60 Cb -0.00 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.63 1a5h s PHE 60 CO 0.85 0.07 1.15 -2.14 -0.10 0.00 0.00 175.22 175.05 1a5h s PRO 60 N -2.64 4.19 0.11 0.24 0.02 -1.26 -4.92 135.00 130.73 1a5h s PRO 60 Ca 0.55 1.42 -0.06 0.00 0.02 0.00 0.00 61.00 62.93 1a5h s PRO 60 Cb -0.13 -3.72 0.14 0.00 0.02 0.00 0.00 34.50 30.80 1a5h s PRO 60 CO 0.18 -0.75 0.69 -2.30 -0.33 0.00 0.00 177.00 174.50 1a5h n PRO 61 N 6.61 -0.08 0.00 5.54 -0.02 -1.26 0.89 135.00 146.67 1a5h n PRO 61 Ca 0.13 0.69 0.01 0.00 -2.02 0.00 0.00 63.50 62.31 1a5h n PRO 61 Cb 0.46 -1.03 0.04 0.00 -0.02 0.00 0.00 33.50 32.95 1a5h n PRO 61 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1a5h n HIS 62 N -4.68 0.00 -1.01 6.00 1.44 -1.23 -0.40 115.22 115.33 1a5h n HIS 62 Ca 0.05 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.86 1a5h n HIS 62 Cb 0.19 0.00 0.18 0.00 0.12 0.00 0.00 29.99 30.49 1a5h n HIS 62 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1a5h n HIS 63 N -0.59 0.36 -4.08 -1.40 8.25 0.26 -4.94 115.22 113.08 1a5h n HIS 63 Ca 0.01 -0.94 -0.25 0.00 -0.26 0.00 0.00 57.72 56.28 1a5h n HIS 63 Cb 0.00 -0.21 -0.17 0.00 1.12 0.00 0.00 29.99 30.74 1a5h n HIS 63 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a5h s LEU 64 N -2.81 1.24 -0.13 2.41 1.43 0.47 -3.42 118.68 117.87 1a5h s LEU 64 Ca 0.35 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1a5h s LEU 64 Cb 0.30 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.78 1a5h s LEU 64 CO 0.05 -0.08 -0.18 -0.89 0.23 0.00 0.00 176.35 175.48 1a5h s THR 65 N 1.40 1.75 -0.22 5.49 2.01 -0.04 -1.54 115.64 124.49 1a5h s THR 65 Ca -0.01 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 1a5h s THR 65 Cb -0.13 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 1a5h s THR 65 CO -0.04 0.49 0.16 -0.69 -0.69 0.00 0.00 174.62 173.84 1a5h s VAL 66 N 1.06 5.38 -0.21 3.82 1.01 0.22 -0.45 120.40 131.22 1a5h s VAL 66 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1a5h s VAL 66 Cb -0.14 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1a5h s VAL 66 CO -0.05 0.38 -0.14 -0.63 0.00 0.00 0.00 175.10 174.67 1a5h s ILE 67 N 0.77 2.41 0.24 2.22 1.01 0.75 -0.49 121.20 128.12 1a5h s ILE 67 Ca 0.08 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.82 1a5h s ILE 67 Cb -0.13 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1a5h s ILE 67 CO 0.02 0.39 0.26 -0.76 0.00 0.00 0.00 174.94 174.85 1a5h s LEU 68 N 1.30 4.02 -1.09 2.97 1.43 0.86 -1.92 118.68 126.26 1a5h s LEU 68 Ca 0.03 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 1a5h s LEU 68 Cb -0.15 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1a5h s LEU 68 CO -0.09 -0.04 0.64 0.61 0.23 0.00 0.00 176.35 177.70 1a5h n GLY 69 N -1.20 -0.18 2.98 -3.19 0.00 -1.25 -0.00 105.19 102.34 1a5h n GLY 69 Ca -0.08 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1a5h n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5h s ARG 70 N -5.65 1.95 0.08 1.61 3.52 -1.26 -3.51 118.95 115.69 1a5h s ARG 70 Ca 0.32 -0.86 -0.14 0.00 -0.13 0.00 0.00 55.73 54.92 1a5h s ARG 70 Cb -0.14 -2.43 -0.20 0.00 -1.56 0.00 0.00 34.95 30.62 1a5h s ARG 70 CO 0.39 -0.45 1.23 1.15 -0.81 0.00 0.00 175.30 176.81 1a5h h THR 71 N 6.44 1.30 -3.19 4.11 2.02 -1.94 -3.44 112.91 118.20 1a5h h THR 71 Ca -0.26 -2.09 -0.61 0.00 0.77 0.00 0.00 66.41 64.21 1a5h h THR 71 Cb 1.09 2.23 -0.12 0.00 -1.74 0.00 0.00 68.15 69.61 1a5h h THR 71 CO 0.46 0.65 -0.51 -0.31 0.37 0.00 0.00 175.52 176.18 1a5h s TYR 72 N -3.50 3.39 0.21 3.16 1.51 -1.26 -0.30 117.35 120.55 1a5h s TYR 72 Ca -0.11 0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 56.04 1a5h s TYR 72 Cb 0.07 -2.10 0.17 0.00 -0.11 0.00 0.00 41.96 39.99 1a5h s TYR 72 CO 0.90 0.32 1.56 -0.09 -1.11 0.00 0.00 175.55 177.13 1a5h h ARG 73 N 6.41 -0.07 -0.00 -0.62 2.43 -0.10 -3.04 114.38 119.39 1a5h h ARG 73 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1a5h h ARG 73 Cb 1.17 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1a5h h ARG 73 CO 0.72 -0.05 -0.48 0.28 -1.51 0.00 0.00 179.97 178.94 1a5h n VAL 74 N -5.44 0.00 -3.19 0.20 0.31 -1.26 -4.92 118.33 104.03 1a5h n VAL 74 Ca 0.07 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.71 1a5h n VAL 74 Cb 0.37 1.02 -0.07 0.00 -0.91 0.00 0.00 33.84 34.25 1a5h n VAL 74 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1a5h s VAL 75 N -1.95 4.93 0.14 2.52 1.01 -1.15 -5.01 120.40 120.88 1a5h s VAL 75 Ca 0.05 0.13 -0.35 0.00 0.00 0.00 0.00 61.98 61.81 1a5h s VAL 75 Cb 0.08 -4.10 -0.15 0.00 0.00 0.00 0.00 36.38 32.22 1a5h s VAL 75 CO 0.43 -0.43 1.41 -2.65 0.00 0.00 0.00 175.10 173.86 1a5h n PRO 76 N 5.97 1.60 -2.74 2.72 -0.02 -1.26 -4.17 135.00 137.11 1a5h n PRO 76 Ca -0.04 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 1a5h n PRO 76 Cb 0.48 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 1a5h n PRO 76 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1a5h s GLY 77 N 0.56 2.16 0.32 -1.23 0.00 -1.26 -4.98 107.32 102.89 1a5h s GLY 77 Ca 0.80 0.12 0.06 0.00 0.00 0.00 0.00 44.72 45.69 1a5h s GLY 77 CO 0.44 0.36 1.84 0.83 0.00 0.00 0.00 173.10 176.58 1a5h h GLU 78 N 1.47 0.80 -0.52 2.90 5.08 -1.94 -3.03 114.58 119.34 1a5h h GLU 78 Ca -0.48 -0.05 -0.36 0.00 -1.00 0.00 0.00 59.36 57.48 1a5h h GLU 78 Cb 1.18 -0.18 -0.39 0.00 0.50 0.00 0.00 28.75 29.86 1a5h h GLU 78 CO 0.63 0.53 -0.96 0.39 -1.00 0.00 0.00 179.01 178.59 1a5h n GLU 79 N -4.61 2.43 -1.59 2.33 1.02 -1.26 -5.10 120.64 113.86 1a5h n GLU 79 Ca 0.19 -3.70 -0.29 0.00 -0.02 0.00 0.00 57.16 53.34 1a5h n GLU 79 Cb 0.44 -1.81 0.15 0.00 -0.02 0.00 0.00 31.44 30.20 1a5h n GLU 79 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1a5h s GLU 80 N -3.50 0.93 -0.18 3.49 -1.05 -1.15 -4.75 118.70 112.49 1a5h s GLU 80 Ca 0.38 0.13 -0.04 0.00 -0.15 0.00 0.00 54.97 55.28 1a5h s GLU 80 Cb 0.36 -1.83 0.08 0.00 -0.44 0.00 0.00 34.13 32.30 1a5h s GLU 80 CO -0.01 -2.31 0.18 -0.65 0.95 0.00 0.00 175.26 173.42 1a5h s GLN 81 N -5.42 0.14 -0.20 -4.83 -0.21 0.99 -4.94 119.66 105.19 1a5h s GLN 81 Ca 0.66 0.18 -0.10 0.00 0.02 0.00 0.00 55.36 56.12 1a5h s GLN 81 Cb -0.12 -1.24 -0.05 0.00 1.00 0.00 0.00 33.01 32.60 1a5h s GLN 81 CO 0.53 -0.61 0.15 0.21 -2.12 0.00 0.00 175.29 173.44 1a5h s LYS 82 N 2.28 4.19 0.07 2.91 2.20 -1.26 -0.10 119.74 130.03 1a5h s LYS 82 Ca 0.05 -0.20 0.04 0.00 -0.36 0.00 0.00 55.97 55.51 1a5h s LYS 82 Cb -0.15 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 1a5h s LYS 82 CO -0.10 0.28 -0.12 -0.06 -0.36 0.00 0.00 175.35 174.98 1a5h s PHE 83 N 0.43 1.08 0.06 4.03 0.40 0.36 -5.00 117.98 119.33 1a5h s PHE 83 Ca 0.09 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1a5h s PHE 83 Cb -0.11 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.77 1a5h s PHE 83 CO -0.01 0.02 0.19 -2.00 0.70 0.00 0.00 175.22 174.12 1a5h s GLU 84 N -1.94 3.36 -0.01 0.44 2.12 -1.26 -0.61 118.70 120.79 1a5h s GLU 84 Ca -0.02 -0.47 -0.28 0.00 0.36 0.00 0.00 54.97 54.56 1a5h s GLU 84 Cb -0.08 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1a5h s GLU 84 CO 0.02 0.61 0.90 0.08 -0.54 0.00 0.00 175.26 176.32 1a5h s VAL 85 N -1.48 4.88 -0.17 3.70 1.01 -0.59 -0.89 120.40 126.87 1a5h s VAL 85 Ca 0.34 1.89 -0.19 0.00 0.00 0.00 0.00 61.98 64.01 1a5h s VAL 85 Cb -0.13 -4.24 -0.16 0.00 0.00 0.00 0.00 36.38 31.84 1a5h s VAL 85 CO 0.27 0.20 0.29 -0.08 0.00 0.00 0.00 175.10 175.78 1a5h h GLU 86 N 6.66 0.00 -2.88 2.72 4.81 -1.32 -3.27 114.58 121.30 1a5h h GLU 86 Ca -0.41 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.68 1a5h h GLU 86 Cb 1.21 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.35 1a5h h GLU 86 CO 0.75 0.73 -0.30 -1.59 -0.73 0.00 0.00 179.01 177.86 1a5h s LYS 87 N -2.21 0.42 -0.10 1.92 -2.85 -1.24 -4.77 119.74 110.91 1a5h s LYS 87 Ca -0.20 0.48 0.02 0.00 -1.00 0.00 0.00 55.97 55.27 1a5h s LYS 87 Cb 0.02 0.20 0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1a5h s LYS 87 CO 0.49 -0.05 -0.17 1.52 0.10 0.00 0.00 175.35 177.24 1a5h s TYR 88 N 0.15 2.08 -0.17 1.78 1.13 -1.26 -0.39 117.35 120.68 1a5h s TYR 88 Ca -0.00 -0.92 -0.13 0.00 -1.41 0.00 0.00 57.07 54.61 1a5h s TYR 88 Cb -0.03 -1.46 -0.05 0.00 -1.10 0.00 0.00 41.96 39.33 1a5h s TYR 88 CO 0.01 -0.44 0.25 0.42 -2.51 0.00 0.00 175.55 173.28 1a5h s ILE 89 N 0.76 5.33 -0.16 -3.49 1.09 0.36 -4.95 121.20 120.15 1a5h s ILE 89 Ca -0.11 0.45 -0.01 0.00 -1.10 0.00 0.00 60.65 59.88 1a5h s ILE 89 Cb -0.16 -3.58 -0.01 0.00 -1.06 0.00 0.00 42.46 37.65 1a5h s ILE 89 CO 0.02 0.42 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.47 1a5h s VAL 90 N 0.35 3.02 -0.25 2.92 1.01 -1.26 -0.69 120.40 125.51 1a5h s VAL 90 Ca 0.14 -0.65 -0.35 0.00 0.00 0.00 0.00 61.98 61.12 1a5h s VAL 90 Cb -0.12 -2.30 -0.12 0.00 0.00 0.00 0.00 36.38 33.84 1a5h s VAL 90 CO 0.03 0.50 2.01 1.57 0.00 0.00 0.00 175.10 179.21 1a5h n HIS 91 N 3.95 1.94 -0.33 5.22 -0.00 -1.07 -4.87 115.22 120.06 1a5h n HIS 91 Ca -0.18 0.21 0.12 0.00 0.46 0.00 0.00 57.72 58.32 1a5h n HIS 91 Cb 0.52 -2.57 0.33 0.00 -0.12 0.00 0.00 29.99 28.15 1a5h n HIS 91 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 1a5h h LYS 92 N 10.63 0.76 -0.45 1.57 1.57 -1.93 -1.52 116.57 127.20 1a5h h LYS 92 Ca -0.38 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1a5h h LYS 92 Cb 1.30 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1a5h h LYS 92 CO 0.98 0.50 0.00 0.39 -0.57 0.00 0.00 179.45 180.75 1a5h n GLU 93 N -4.65 1.36 -2.09 3.15 -0.58 -1.26 -4.88 120.64 111.69 1a5h n GLU 93 Ca 0.20 -0.39 -0.42 0.00 -0.42 0.00 0.00 57.16 56.13 1a5h n GLU 93 Cb 0.50 -1.30 -0.03 0.00 -0.57 0.00 0.00 31.44 30.05 1a5h n GLU 93 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1a5h s PHE 94 N -1.61 3.17 -0.13 -0.32 5.36 -0.58 -4.63 117.98 119.25 1a5h s PHE 94 Ca 0.07 0.90 -0.03 0.00 -0.96 0.00 0.00 56.93 56.91 1a5h s PHE 94 Cb 0.04 -3.76 -0.03 0.00 -0.34 0.00 0.00 43.02 38.94 1a5h s PHE 94 CO 0.04 -2.65 -0.03 0.34 -1.46 0.00 0.00 175.22 171.46 1a5h s ASP 95 N 0.95 4.86 0.46 6.13 2.15 -0.12 -4.97 116.67 126.13 1a5h s ASP 95 Ca 0.65 -0.06 0.26 0.00 0.43 0.00 0.00 52.55 53.82 1a5h s ASP 95 Cb -0.39 -1.64 0.65 0.00 -0.30 0.00 0.00 42.92 41.24 1a5h s ASP 95 CO 0.33 0.23 1.72 0.44 -0.17 0.00 0.00 175.17 177.72 1a5h h ASP 96 N 6.22 0.00 0.00 -0.34 3.32 -1.95 0.26 116.42 123.93 1a5h h ASP 96 Ca -0.37 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1a5h h ASP 96 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1a5h h ASP 96 CO 0.60 0.03 -0.25 0.44 -1.72 0.00 0.00 179.24 178.35 1a5h h ASP 97 N 0.00 0.00 0.95 6.45 3.32 -1.98 -3.39 116.42 121.77 1a5h h ASP 97 Ca -0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1a5h h ASP 97 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1a5h h ASP 97 CO 0.00 0.67 -0.25 0.35 -1.72 0.00 0.00 179.24 178.30 1a5h n THR 98 N -4.69 0.20 -1.25 0.35 -2.24 -1.25 -4.92 114.28 100.47 1a5h n THR 98 Ca -0.05 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1a5h n THR 98 Cb 0.16 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 1a5h n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1a5h n TYR 99 N -1.79 0.00 -1.91 4.78 4.02 0.90 -4.90 117.16 118.26 1a5h n TYR 99 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.53 1a5h n TYR 99 Cb 0.38 -2.33 -0.02 0.00 -0.02 0.00 0.00 39.34 37.34 1a5h n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1a5h s ASP 100 N -2.41 6.55 -0.26 7.72 2.15 -1.23 -2.44 116.67 126.75 1a5h s ASP 100 Ca 0.00 2.72 -0.01 0.00 0.43 0.00 0.00 52.55 55.69 1a5h s ASP 100 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1a5h s ASP 100 CO 0.00 -0.81 0.08 0.59 -0.17 0.00 0.00 175.17 174.86 1a5h n ASN 101 N 3.09 -2.18 -4.31 -0.34 3.02 -1.26 -0.94 115.26 112.33 1a5h n ASN 101 Ca 0.11 -0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.26 1a5h n ASN 101 Cb 0.39 -1.23 -0.04 0.00 -0.61 0.00 0.00 39.78 38.28 1a5h n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1a5h n ASP 102 N 1.11 3.40 -3.81 6.41 2.03 -1.02 -4.44 116.55 120.23 1a5h n ASP 102 Ca -0.02 -2.75 -0.12 0.00 0.52 0.00 0.00 54.79 52.41 1a5h n ASP 102 Cb 0.52 -1.60 -0.10 0.00 -0.72 0.00 0.00 41.12 39.23 1a5h n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1a5h s ILE 103 N 7.77 0.06 0.10 5.18 2.07 -1.26 -4.14 121.20 130.99 1a5h s ILE 103 Ca 0.61 -0.51 -0.22 0.00 -1.41 0.00 0.00 60.65 59.13 1a5h s ILE 103 Cb 0.05 -0.50 0.06 0.00 0.13 0.00 0.00 42.46 42.19 1a5h s ILE 103 CO 0.11 -0.28 0.54 0.00 -1.91 0.00 0.00 174.94 173.40 1a5h s ALA 104 N -1.16 -1.40 -0.02 1.50 0.00 -0.64 -2.61 121.76 117.43 1a5h s ALA 104 Ca -0.12 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.39 1a5h s ALA 104 Cb -0.06 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 1a5h s ALA 104 CO 0.03 -0.64 -0.23 -0.51 0.00 0.00 0.00 175.76 174.41 1a5h s LEU 105 N -2.41 2.05 -0.19 0.00 1.43 0.14 -1.46 118.68 118.24 1a5h s LEU 105 Ca -0.01 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1a5h s LEU 105 Cb -0.00 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 45.06 1a5h s LEU 105 CO -0.08 0.28 -0.17 -0.76 0.23 0.00 0.00 176.35 175.86 1a5h s LEU 106 N -0.57 2.30 -0.13 1.79 2.01 0.71 -0.48 118.68 124.31 1a5h s LEU 106 Ca 0.09 -0.77 -0.21 0.00 0.01 0.00 0.00 54.13 53.25 1a5h s LEU 106 Cb -0.09 -1.42 -0.03 0.00 0.01 0.00 0.00 46.19 44.65 1a5h s LEU 106 CO -0.01 -0.05 0.61 -1.58 1.01 0.00 0.00 176.35 176.33 1a5h s GLN 107 N 1.30 4.33 0.14 1.70 0.74 0.48 -1.83 119.66 126.52 1a5h s GLN 107 Ca 0.02 0.66 -0.25 0.00 0.05 0.00 0.00 55.36 55.84 1a5h s GLN 107 Cb -0.14 -3.49 -0.08 0.00 1.10 0.00 0.00 33.01 30.40 1a5h s GLN 107 CO -0.11 -0.01 0.77 -0.51 -0.55 0.00 0.00 175.29 174.88 1a5h s LEU 108 N 1.12 4.57 -0.07 3.68 1.43 0.15 -0.92 118.68 128.64 1a5h s LEU 108 Ca 0.31 1.61 -0.24 0.00 -1.03 0.00 0.00 54.13 54.78 1a5h s LEU 108 Cb -0.16 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1a5h s LEU 108 CO 0.13 0.18 0.71 -0.75 0.23 0.00 0.00 176.35 176.85 1a5h s LYS 109 N -0.96 4.43 0.31 1.70 2.20 -0.07 -4.73 119.74 122.62 1a5h s LYS 109 Ca 0.36 0.90 0.02 0.00 -0.36 0.00 0.00 55.97 56.89 1a5h s LYS 109 Cb -0.23 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1a5h s LYS 109 CO 0.26 0.04 0.33 0.45 -0.36 0.00 0.00 175.35 176.06 1a5h s SER 110 N 0.83 1.08 0.00 1.43 0.15 -1.26 -4.54 113.70 111.39 1a5h s SER 110 Ca 0.38 -1.57 0.21 0.00 0.70 0.00 0.00 55.95 55.67 1a5h s SER 110 Cb -0.18 0.56 0.53 0.00 -1.71 0.00 0.00 66.02 65.22 1a5h s SER 110 CO 0.18 -1.10 1.45 -0.90 1.20 0.00 0.00 173.24 174.06 1a5h n ASP 110 N -1.23 2.99 0.18 5.45 5.75 -1.26 -5.09 116.55 123.34 1a5h n ASP 110 Ca 0.04 -1.94 0.13 0.00 -0.01 0.00 0.00 54.79 53.01 1a5h n ASP 110 Cb 0.63 -0.27 0.32 0.00 -1.03 0.00 0.00 41.12 40.77 1a5h n ASP 110 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1a5h h SER 110 N 3.68 0.00 -4.09 -1.12 0.02 -2.04 -3.53 113.55 106.47 1a5h h SER 110 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1a5h h SER 110 Cb 0.82 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.12 1a5h h SER 110 CO 0.00 0.00 -0.79 -0.13 -1.14 0.00 0.00 176.83 174.77 1a5h s ARG 110 N -3.21 2.35 0.00 3.45 0.52 -1.26 -4.83 118.95 115.96 1a5h s ARG 110 Ca 0.08 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 1a5h s ARG 110 Cb 0.08 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.26 1a5h s ARG 110 CO 0.62 0.60 0.00 0.00 0.02 0.00 0.00 175.30 176.53 1a5h s ALA 112 N -3.10 3.43 -0.40 0.00 0.00 -0.04 -4.94 121.76 116.70 1a5h s ALA 112 Ca 0.00 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 52.64 1a5h s ALA 112 Cb 0.00 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.31 1a5h s ALA 112 CO 0.00 -1.72 0.63 -0.65 0.00 0.00 0.00 175.76 174.02 1a5h s GLN 113 N 4.53 3.45 0.19 0.00 -0.21 -1.26 -4.70 119.66 121.65 1a5h s GLN 113 Ca 0.79 -0.21 -0.32 0.00 0.02 0.00 0.00 55.36 55.63 1a5h s GLN 113 Cb -0.33 -3.89 -0.15 0.00 1.00 0.00 0.00 33.01 29.64 1a5h s GLN 113 CO 0.33 -0.88 1.21 -1.91 -2.12 0.00 0.00 175.29 171.91 1a5h n GLU 114 N 6.13 1.34 -0.95 2.91 2.13 -1.26 -4.81 120.64 126.13 1a5h n GLU 114 Ca -0.02 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1a5h n GLU 114 Cb 0.48 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1a5h n GLU 114 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1a5h n SER 115 N 2.02 0.00 0.19 4.31 3.41 0.54 -4.95 113.62 119.15 1a5h n SER 115 Ca 0.14 -0.60 0.07 0.00 -0.26 0.00 0.00 58.87 58.22 1a5h n SER 115 Cb 0.26 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.51 1a5h n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a5h h SER 116 N 0.00 0.00 -0.01 4.04 4.64 -1.97 -3.24 113.55 117.01 1a5h h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a5h h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a5h h SER 116 CO 0.00 0.31 -0.22 1.33 -0.87 0.00 0.00 176.83 177.38 1a5h n VAL 117 N -3.34 0.00 -3.81 0.95 0.24 -1.26 -4.66 118.33 106.45 1a5h n VAL 117 Ca 0.01 -0.39 -0.29 0.00 -2.04 0.00 0.00 64.34 61.63 1a5h n VAL 117 Cb 0.54 1.10 -0.16 0.00 -1.47 0.00 0.00 33.84 33.85 1a5h n VAL 117 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1a5h s VAL 118 N -1.37 0.96 0.06 3.34 1.01 -1.22 -3.96 120.40 119.22 1a5h s VAL 118 Ca 0.07 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 1a5h s VAL 118 Cb 0.07 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1a5h s VAL 118 CO 0.25 -0.27 0.30 -0.60 0.00 0.00 0.00 175.10 174.78 1a5h s ARG 119 N 1.64 0.84 0.54 2.72 3.52 -1.02 -0.34 118.95 126.85 1a5h s ARG 119 Ca -0.00 -0.58 -0.10 0.00 -0.13 0.00 0.00 55.73 54.91 1a5h s ARG 119 Cb -0.18 0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 33.53 1a5h s ARG 119 CO -0.11 -0.27 0.92 0.95 -0.81 0.00 0.00 175.30 175.98 1a5h s THR 120 N -2.84 4.76 0.03 4.11 -4.23 -1.26 -2.47 115.64 113.73 1a5h s THR 120 Ca -0.03 0.68 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1a5h s THR 120 Cb 0.00 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1a5h s THR 120 CO -0.05 -0.92 0.22 -0.69 -0.54 0.00 0.00 174.62 172.63 1a5h s VAL 121 N -2.87 5.39 -0.09 2.29 1.01 -0.59 -4.86 120.40 120.68 1a5h s VAL 121 Ca 0.53 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.07 1a5h s VAL 121 Cb -0.11 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1a5h s VAL 121 CO 0.45 0.25 0.81 0.00 0.00 0.00 0.00 175.10 176.61 1a5h s LEU 123 N 1.30 3.90 0.46 0.00 1.43 -1.26 -1.42 118.68 123.09 1a5h s LEU 123 Ca 0.41 2.43 -0.23 0.00 -1.03 0.00 0.00 54.13 55.71 1a5h s LEU 123 Cb -0.18 -4.32 -0.08 0.00 0.03 0.00 0.00 46.19 41.64 1a5h s LEU 123 CO 0.18 -1.20 1.12 -2.16 0.23 0.00 0.00 176.35 174.53 1a5h s PRO 124 N -2.88 3.81 0.60 1.29 0.04 -1.24 -4.80 135.00 131.81 1a5h s PRO 124 Ca 0.68 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 1a5h s PRO 124 Cb -0.32 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1a5h s PRO 124 CO 0.37 -0.48 1.10 -2.14 0.04 0.00 0.00 177.00 175.89 1a5h s PRO 125 N -2.76 3.15 0.44 0.56 0.02 -1.26 -4.91 135.00 130.23 1a5h s PRO 125 Ca 0.64 1.41 0.16 0.00 0.02 0.00 0.00 61.00 63.23 1a5h s PRO 125 Cb -0.25 -2.00 1.08 0.00 0.02 0.00 0.00 34.50 33.35 1a5h s PRO 125 CO 0.31 -0.97 1.93 0.00 -0.33 0.00 0.00 177.00 177.94 1a5h h ALA 126 N 0.57 2.14 -0.54 -1.55 0.00 -1.94 -1.20 119.26 116.73 1a5h h ALA 126 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1a5h h ALA 126 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1a5h h ALA 126 CO 0.56 -0.33 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 1a5h n ASP 127 N -4.47 4.56 -4.61 0.00 5.68 -1.26 -4.97 116.55 111.48 1a5h n ASP 127 Ca 0.13 -2.55 -0.44 0.00 -0.50 0.00 0.00 54.79 51.44 1a5h n ASP 127 Cb 0.52 -0.59 -0.04 0.00 -1.14 0.00 0.00 41.12 39.87 1a5h n ASP 127 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1a5h n LEU 128 N 0.81 3.45 -3.81 -2.12 7.94 -0.45 -4.91 117.00 117.90 1a5h n LEU 128 Ca 0.23 0.49 -0.29 0.00 -1.11 0.00 0.00 56.01 55.33 1a5h n LEU 128 Cb 0.90 -1.51 -0.13 0.00 0.53 0.00 0.00 43.42 43.21 1a5h n LEU 128 CO 0.24 -0.38 -0.19 -1.58 -1.11 0.00 0.00 177.39 174.37 1a5h s GLN 129 N 5.60 1.73 0.08 1.96 0.74 -1.26 -5.02 119.66 123.48 1a5h s GLN 129 Ca 0.98 -2.49 -0.28 0.00 0.05 0.00 0.00 55.36 53.62 1a5h s GLN 129 Cb -0.44 -2.82 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 1a5h s GLN 129 CO 0.40 -1.18 0.90 -0.51 -0.55 0.00 0.00 175.29 174.34 1a5h s LEU 130 N -0.24 4.47 0.38 3.68 1.43 -1.26 -5.01 118.68 122.12 1a5h s LEU 130 Ca 0.20 1.66 -0.27 0.00 -1.03 0.00 0.00 54.13 54.69 1a5h s LEU 130 Cb -0.19 -3.46 -0.11 0.00 0.03 0.00 0.00 46.19 42.45 1a5h s LEU 130 CO -0.05 -0.06 1.22 -2.65 0.23 0.00 0.00 176.35 175.05 1a5h n PRO 131 N 2.91 1.89 -1.66 1.29 -0.02 -1.26 -4.90 135.00 133.25 1a5h n PRO 131 Ca 0.01 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 1a5h n PRO 131 Cb 0.50 -2.27 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1a5h n PRO 131 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1a5h n ASP 132 N 0.57 1.86 -0.14 2.55 8.00 -1.26 -1.91 116.55 126.22 1a5h n ASP 132 Ca 0.06 1.05 -0.02 0.00 0.71 0.00 0.00 54.79 56.59 1a5h n ASP 132 Cb 0.37 -1.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.03 1a5h n ASP 132 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1a5h n TRP 133 N -0.49 0.00 -2.29 1.24 5.03 0.23 -4.94 117.44 116.22 1a5h n TRP 133 Ca 0.09 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.21 1a5h n TRP 133 Cb 0.40 -0.99 -0.03 0.00 -1.03 0.00 0.00 31.31 29.66 1a5h n TRP 133 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1a5h s THR 134 N -1.76 3.21 -0.42 -0.99 -4.23 -0.80 -4.47 115.64 106.19 1a5h s THR 134 Ca 0.00 1.13 -0.26 0.00 -1.18 0.00 0.00 61.69 61.38 1a5h s THR 134 Cb 0.00 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.14 1a5h s THR 134 CO 0.00 0.23 0.94 -0.70 -0.54 0.00 0.00 174.62 174.56 1a5h s GLU 135 N -1.06 3.71 0.37 3.99 2.12 -1.26 -1.19 118.70 125.37 1a5h s GLU 135 Ca 0.50 0.41 0.08 0.00 0.36 0.00 0.00 54.97 56.31 1a5h s GLU 135 Cb -0.35 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.14 1a5h s GLU 135 CO 0.43 -1.10 0.28 0.00 -0.54 0.00 0.00 175.26 174.34 1a5h s GLU 137 N -4.00 1.37 0.18 0.00 -1.05 -0.52 -0.93 118.70 113.75 1a5h s GLU 137 Ca 0.43 -1.50 0.02 0.00 -0.15 0.00 0.00 54.97 53.76 1a5h s GLU 137 Cb -0.04 -1.41 -0.05 0.00 -0.44 0.00 0.00 34.13 32.20 1a5h s GLU 137 CO 0.26 0.28 0.01 -0.48 0.95 0.00 0.00 175.26 176.28 1a5h s LEU 138 N -2.90 2.07 0.11 1.83 2.34 -0.80 -0.73 118.68 120.60 1a5h s LEU 138 Ca 0.19 -1.19 -0.06 0.00 0.06 0.00 0.00 54.13 53.13 1a5h s LEU 138 Cb -0.05 -0.05 -0.02 0.00 -0.56 0.00 0.00 46.19 45.51 1a5h s LEU 138 CO 0.08 -0.58 0.16 -0.94 -1.06 0.00 0.00 176.35 174.01 1a5h s SER 139 N -3.19 0.19 0.00 1.48 1.04 -1.23 -0.62 113.70 111.36 1a5h s SER 139 Ca 0.25 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1a5h s SER 139 Cb 0.06 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1a5h s SER 139 CO 0.05 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1a5h n GLY 140 N -0.08 1.63 1.47 7.32 0.00 -0.33 -4.57 105.19 110.62 1a5h n GLY 140 Ca -0.11 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.14 1a5h n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a5h n TYR 141 N -0.51 1.44 -1.31 1.61 4.02 -1.26 -2.09 117.16 119.05 1a5h n TYR 141 Ca 0.00 -0.66 -0.29 0.00 -0.01 0.00 0.00 57.90 56.94 1a5h n TYR 141 Cb 0.00 -0.29 0.23 0.00 -0.02 0.00 0.00 39.34 39.26 1a5h n TYR 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a5h n GLY 142 N 0.76 -2.35 3.63 2.72 0.00 -1.25 -0.88 105.19 107.84 1a5h n GLY 142 Ca 0.24 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 1a5h n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a5h n LYS 143 N -4.40 0.81 0.03 1.61 5.02 0.15 -2.18 118.16 119.21 1a5h n LYS 143 Ca 0.15 0.33 -0.01 0.00 -2.02 0.00 0.00 58.31 56.76 1a5h n LYS 143 Cb 0.57 -2.24 -0.08 0.00 -0.02 0.00 0.00 35.03 33.26 1a5h n LYS 143 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1a5h h HIS 144 N 0.26 0.00 -3.63 2.13 3.86 -1.79 0.76 115.15 116.75 1a5h h HIS 144 Ca -0.49 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.47 1a5h h HIS 144 Cb 1.35 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 29.52 1a5h h HIS 144 CO 0.38 0.61 -0.71 -1.21 0.86 0.00 0.00 177.93 177.85 1a5h s GLU 145 N -2.90 -0.01 0.59 2.45 0.41 -1.26 -4.04 118.70 113.94 1a5h s GLU 145 Ca -0.03 0.09 0.37 0.00 -0.41 0.00 0.00 54.97 54.99 1a5h s GLU 145 Cb 0.09 -0.09 1.84 0.00 -1.78 0.00 0.00 34.13 34.18 1a5h s GLU 145 CO 0.81 -0.07 2.17 0.00 -0.49 0.00 0.00 175.26 177.68 1a5h h ALA 146 N 6.60 1.08 0.00 5.21 0.00 -1.88 -1.64 119.26 128.62 1a5h h ALA 146 Ca -0.33 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1a5h h ALA 146 Cb 1.17 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1a5h h ALA 146 CO 0.49 0.03 -0.69 1.37 0.00 0.00 0.00 179.25 180.46 1a5h h LEU 147 N 0.00 0.00-10.02 0.00 -0.00 -1.99 -3.47 115.31 99.83 1a5h h LEU 147 Ca -0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.33 1a5h h LEU 147 Cb 0.25 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 41.04 1a5h h LEU 147 CO 0.00 0.33 0.65 -0.55 -0.00 0.00 0.00 178.44 178.87 1a5h s SER 148 N -6.06 5.54 0.00 0.17 0.15 -0.62 -4.94 113.70 107.94 1a5h s SER 148 Ca 0.02 2.83 0.24 0.00 0.70 0.00 0.00 55.95 59.74 1a5h s SER 148 Cb 0.08 -2.64 0.77 0.00 -1.71 0.00 0.00 66.02 62.52 1a5h s SER 148 CO 0.75 -1.39 1.58 -0.81 1.20 0.00 0.00 173.24 174.57 1a5h n PRO 149 N -0.66 1.84 -4.45 5.44 -0.04 -1.26 -4.91 135.00 130.97 1a5h n PRO 149 Ca 0.08 -1.25 -0.23 0.00 -0.04 0.00 0.00 63.50 62.06 1a5h n PRO 149 Cb 0.44 -1.44 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 1a5h n PRO 149 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1a5h s PHE 150 N -1.86 1.62 0.79 0.54 0.08 -1.26 -5.14 117.98 112.74 1a5h s PHE 150 Ca 0.35 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.91 1a5h s PHE 150 Cb 0.20 -0.94 0.10 0.00 -0.57 0.00 0.00 43.02 41.80 1a5h s PHE 150 CO 0.30 0.10 1.12 0.71 -0.10 0.00 0.00 175.22 177.36 1a5h s TYR 151 N -0.94 2.59 -0.05 0.36 2.02 -1.26 -4.48 117.35 115.60 1a5h s TYR 151 Ca 0.05 0.47 -0.29 0.00 -0.37 0.00 0.00 57.07 56.93 1a5h s TYR 151 Cb -0.09 -3.45 -0.02 0.00 -0.40 0.00 0.00 41.96 38.00 1a5h s TYR 151 CO 0.02 -1.78 0.95 0.45 -1.57 0.00 0.00 175.55 173.63 1a5h s SER 152 N -4.62 7.27 0.54 2.29 0.15 -0.05 -4.88 113.70 114.39 1a5h s SER 152 Ca 0.64 1.54 0.29 0.00 0.70 0.00 0.00 55.95 59.12 1a5h s SER 152 Cb -0.09 -2.54 1.53 0.00 -1.71 0.00 0.00 66.02 63.20 1a5h s SER 152 CO 0.48 -0.31 2.10 -0.33 1.20 0.00 0.00 173.24 176.37 1a5h h GLU 153 N 6.92 0.00 -4.72 5.44 4.39 -1.93 -3.41 114.58 121.27 1a5h h GLU 153 Ca -0.37 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.07 1a5h h GLU 153 Cb 1.19 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.68 1a5h h GLU 153 CO 0.79 0.10 -0.71 0.50 -1.16 0.00 0.00 179.01 178.53 1a5h s ARG 154 N -4.22 0.81 0.35 2.33 3.52 -1.26 0.57 118.95 121.05 1a5h s ARG 154 Ca -0.03 -1.23 -0.28 0.00 -0.13 0.00 0.00 55.73 54.06 1a5h s ARG 154 Cb 0.13 -0.31 -0.12 0.00 -1.56 0.00 0.00 34.95 33.10 1a5h s ARG 154 CO 0.57 0.02 1.40 -0.11 -0.81 0.00 0.00 175.30 176.37 1a5h n LEU 155 N 0.27 4.14 -4.17 -0.88 7.94 0.58 -4.70 117.00 120.18 1a5h n LEU 155 Ca -0.14 1.21 -0.13 0.00 -1.11 0.00 0.00 56.01 55.84 1a5h n LEU 155 Cb 0.59 -1.55 -0.11 0.00 0.53 0.00 0.00 43.42 42.89 1a5h n LEU 155 CO 0.28 -0.15 -0.40 -0.75 -1.11 0.00 0.00 177.39 175.26 1a5h s LYS 156 N -1.83 0.84 0.04 1.96 2.20 -0.89 -1.40 119.74 120.66 1a5h s LYS 156 Ca 0.55 -1.22 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1a5h s LYS 156 Cb -0.53 -0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 35.35 1a5h s LYS 156 CO 0.62 0.05 -0.08 -1.83 -0.36 0.00 0.00 175.35 173.74 1a5h s GLU 157 N -3.13 0.55 0.30 4.03 -1.05 -0.22 -1.19 118.70 117.99 1a5h s GLU 157 Ca 0.07 -0.68 0.04 0.00 -0.15 0.00 0.00 54.97 54.25 1a5h s GLU 157 Cb -0.00 -0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 33.28 1a5h s GLU 157 CO -0.01 0.08 0.19 0.00 0.95 0.00 0.00 175.26 176.46 1a5h s ALA 158 N -1.16 1.85 -0.06 -0.84 0.00 0.20 -0.97 121.76 120.79 1a5h s ALA 158 Ca -0.07 -1.81 -0.01 0.00 0.00 0.00 0.00 51.96 50.06 1a5h s ALA 158 Cb -0.09 1.27 0.03 0.00 0.00 0.00 0.00 23.12 24.33 1a5h s ALA 158 CO 0.00 -0.56 0.02 -1.01 0.00 0.00 0.00 175.76 174.21 1a5h s HIS 159 N -3.63 0.47 0.21 0.00 3.76 -1.26 -1.90 115.29 112.94 1a5h s HIS 159 Ca 0.37 -0.04 0.11 0.00 -0.15 0.00 0.00 55.06 55.35 1a5h s HIS 159 Cb 0.04 -0.67 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 1a5h s HIS 159 CO 0.20 -0.27 -0.21 0.14 -0.85 0.00 0.00 174.74 173.75 1a5h s VAL 160 N 1.90 2.20 -0.15 -0.90 -7.23 -0.11 -4.57 120.40 111.54 1a5h s VAL 160 Ca 0.03 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 1a5h s VAL 160 Cb -0.12 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1a5h s VAL 160 CO -0.04 -0.27 0.20 -0.13 -0.31 0.00 0.00 175.10 174.54 1a5h s ARG 161 N -2.98 3.98 0.09 4.82 1.81 -1.17 -0.59 118.95 124.91 1a5h s ARG 161 Ca 0.22 -0.06 -0.31 0.00 -1.72 0.00 0.00 55.73 53.86 1a5h s ARG 161 Cb -0.06 -3.34 -0.08 0.00 -0.45 0.00 0.00 34.95 31.02 1a5h s ARG 161 CO 0.10 0.45 1.50 -0.51 -0.68 0.00 0.00 175.30 176.16 1a5h s LEU 162 N -0.12 4.36 0.14 2.53 1.43 -0.33 -2.07 118.68 124.62 1a5h s LEU 162 Ca 0.13 2.39 -0.23 0.00 -1.03 0.00 0.00 54.13 55.40 1a5h s LEU 162 Cb -0.12 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 1a5h s LEU 162 CO 0.02 -0.76 0.71 -0.31 0.23 0.00 0.00 176.35 176.24 1a5h s TYR 163 N 1.73 3.86 0.61 0.29 1.51 0.51 0.78 117.35 126.63 1a5h s TYR 163 Ca 0.68 1.51 -0.19 0.00 -1.01 0.00 0.00 57.07 58.05 1a5h s TYR 163 Cb -0.38 -2.67 -0.02 0.00 -0.11 0.00 0.00 41.96 38.77 1a5h s TYR 163 CO 0.30 0.53 1.31 -2.30 -1.11 0.00 0.00 175.55 174.28 1a5h n PRO 164 N 1.56 1.32 -0.04 -1.71 -0.02 -1.26 -4.71 135.00 130.14 1a5h n PRO 164 Ca -0.07 0.50 -0.14 0.00 -2.02 0.00 0.00 63.50 61.78 1a5h n PRO 164 Cb 0.49 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 1a5h n PRO 164 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1a5h h SER 165 N 0.85 -1.61 -0.89 2.55 0.87 -1.96 -2.15 113.55 111.21 1a5h h SER 165 Ca -0.51 0.20 0.22 0.00 -1.23 0.00 0.00 61.79 60.48 1a5h h SER 165 Cb 1.33 0.65 -0.13 0.00 -0.44 0.00 0.00 62.40 63.81 1a5h h SER 165 CO 0.54 -0.45 0.39 0.77 -0.53 0.00 0.00 176.83 177.55 1a5h h SER 166 N -0.51 0.31 0.60 6.23 4.64 -2.04 0.17 113.55 122.96 1a5h h SER 166 Ca 0.06 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1a5h h SER 166 Cb 0.65 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1a5h h SER 166 CO -0.47 -0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.02 1a5h n ARG 167 N -5.05 0.03 -2.85 4.77 1.74 -0.82 -3.94 116.66 110.53 1a5h n ARG 167 Ca 0.22 0.17 -0.43 0.00 -0.77 0.00 0.00 57.85 57.05 1a5h n ARG 167 Cb 0.66 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.61 1a5h n ARG 167 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a5h s THR 169 N -2.19 1.61 0.24 0.00 -4.23 -1.25 -4.94 115.64 104.87 1a5h s THR 169 Ca 0.33 -2.16 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 1a5h s THR 169 Cb 0.06 -2.19 0.23 0.00 1.34 0.00 0.00 72.50 71.94 1a5h s THR 169 CO 0.08 -0.49 1.69 0.28 -0.54 0.00 0.00 174.62 175.64 1a5h h SER 169 N 2.48 0.02 -0.50 3.99 0.02 -1.84 -0.00 113.55 117.71 1a5h h SER 169 Ca -0.39 0.14 0.10 0.00 -0.84 0.00 0.00 61.79 60.81 1a5h h SER 169 Cb 1.22 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 63.86 1a5h h SER 169 CO 0.64 -0.03 -0.05 1.56 -1.14 0.00 0.00 176.83 177.81 1a5h h GLN 169 N 0.27 0.06 0.00 3.45 1.08 -1.94 0.11 115.11 118.14 1a5h h GLN 169 Ca 0.41 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1a5h h GLN 169 Cb 0.69 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1a5h h GLN 169 CO -0.50 0.04 0.00 0.72 -0.95 0.00 0.00 178.83 178.14 1a5h n HIS 170 N -5.29 0.00 -2.97 2.96 8.25 -0.07 -3.68 115.22 114.41 1a5h n HIS 170 Ca 0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.26 1a5h n HIS 170 Cb 0.27 -0.47 -0.04 0.00 1.12 0.00 0.00 29.99 30.87 1a5h n HIS 170 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a5h n LEU 171 N -1.47 3.89 -3.28 2.41 4.32 0.24 -4.76 117.00 118.34 1a5h n LEU 171 Ca 0.05 -5.57 -0.17 0.00 -0.02 0.00 0.00 56.01 50.31 1a5h n LEU 171 Cb 0.23 -0.35 -0.03 0.00 -1.62 0.00 0.00 43.42 41.65 1a5h n LEU 171 CO 0.18 2.34 -0.06 0.18 -1.22 0.00 0.00 177.39 178.82 1a5h n LEU 172 N -0.17 -0.42 -0.33 2.23 4.77 -1.21 -0.88 117.00 120.99 1a5h n LEU 172 Ca 0.30 -0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1a5h n LEU 172 Cb 0.44 -1.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 1a5h n LEU 172 CO 0.32 0.04 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.18 1a5h n ASN 173 N -1.90 -3.66 -4.87 -1.43 5.15 -0.39 -5.03 115.26 103.12 1a5h n ASN 173 Ca 0.04 0.11 -0.30 0.00 -0.60 0.00 0.00 54.58 53.82 1a5h n ASN 173 Cb 0.49 -1.54 -0.03 0.00 -0.53 0.00 0.00 39.78 38.16 1a5h n ASN 173 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1a5h s ARG 174 N -2.10 3.79 -0.31 1.20 1.81 -0.06 -4.99 118.95 118.29 1a5h s ARG 174 Ca 0.00 0.46 -0.29 0.00 -1.72 0.00 0.00 55.73 54.18 1a5h s ARG 174 Cb 0.00 -2.41 -0.01 0.00 -0.45 0.00 0.00 34.95 32.09 1a5h s ARG 174 CO 0.00 -0.01 1.50 0.99 -0.68 0.00 0.00 175.30 177.10 1a5h s THR 175 N -2.33 3.84 -0.25 0.02 2.01 -1.26 -4.28 115.64 113.39 1a5h s THR 175 Ca 0.51 0.92 -0.06 0.00 0.31 0.00 0.00 61.69 63.37 1a5h s THR 175 Cb -0.10 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1a5h s THR 175 CO 0.30 -0.48 0.04 -0.69 -0.69 0.00 0.00 174.62 173.10 1a5h s VAL 176 N 5.25 3.93 0.51 3.82 1.01 -1.26 -4.92 120.40 128.73 1a5h s VAL 176 Ca 0.66 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.33 1a5h s VAL 176 Cb -0.19 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.37 1a5h s VAL 176 CO 0.29 0.31 0.60 0.42 0.00 0.00 0.00 175.10 176.72 1a5h s THR 177 N 1.55 2.27 -2.00 3.92 -4.23 -1.26 -4.71 115.64 111.18 1a5h s THR 177 Ca 0.05 -1.16 0.11 0.00 -1.18 0.00 0.00 61.69 59.51 1a5h s THR 177 Cb -0.15 -2.43 0.33 0.00 1.34 0.00 0.00 72.50 71.58 1a5h s THR 177 CO 0.01 0.00 1.13 0.47 -0.54 0.00 0.00 174.62 175.69 1a5h n ASP 178 N -1.96 0.00 -0.88 3.99 8.00 -1.26 -1.70 116.55 122.74 1a5h n ASP 178 Ca 0.09 -0.70 0.08 0.00 0.71 0.00 0.00 54.79 54.97 1a5h n ASP 178 Cb 0.62 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.90 1a5h n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1a5h n ASN 179 N -0.84 3.11 -4.70 -2.24 3.02 -1.26 -4.95 115.26 107.40 1a5h n ASN 179 Ca 0.09 -1.91 -0.25 0.00 -0.03 0.00 0.00 54.58 52.47 1a5h n ASN 179 Cb 0.04 -0.25 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 1a5h n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a5h s MET 180 N -1.12 2.53 0.05 3.52 -1.94 -0.69 -0.44 119.30 121.20 1a5h s MET 180 Ca 0.31 -1.13 0.05 0.00 -1.71 0.00 0.00 55.69 53.21 1a5h s MET 180 Cb 0.17 -2.39 -0.02 0.00 2.01 0.00 0.00 34.83 34.60 1a5h s MET 180 CO 0.23 0.43 -0.15 -1.17 -0.01 0.00 0.00 175.02 174.36 1a5h s LEU 181 N -3.25 2.20 -0.08 -0.03 2.96 0.41 -4.75 118.68 116.13 1a5h s LEU 181 Ca 0.30 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1a5h s LEU 181 Cb -0.09 -0.60 -0.00 0.00 0.50 0.00 0.00 46.19 46.00 1a5h s LEU 181 CO 0.20 0.01 -0.24 0.00 -1.32 0.00 0.00 176.35 175.00 1a5h s ALA 183 N 0.16 -0.95 -0.19 0.00 0.00 -0.53 -0.36 121.76 119.88 1a5h s ALA 183 Ca -0.13 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1a5h s ALA 183 Cb -0.16 -0.51 0.13 0.00 0.00 0.00 0.00 23.12 22.57 1a5h s ALA 183 CO 0.07 -0.20 1.02 0.20 0.00 0.00 0.00 175.76 176.85 1a5h s GLY 184 N -0.06 -0.23 0.29 0.00 0.00 -0.88 -0.60 107.32 105.85 1a5h s GLY 184 Ca -0.02 2.20 -0.29 0.00 0.00 0.00 0.00 44.72 46.60 1a5h s GLY 184 CO 0.01 1.21 1.22 1.34 0.00 0.00 0.00 173.10 176.89 1a5h n ASP 185 N 1.04 2.24 -0.26 1.64 2.03 -1.24 -3.04 116.55 118.96 1a5h n ASP 185 Ca -0.11 1.18 0.07 0.00 0.52 0.00 0.00 54.79 56.45 1a5h n ASP 185 Cb 0.57 -1.40 0.13 0.00 -0.72 0.00 0.00 41.12 39.70 1a5h n ASP 185 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1a5h n THR 186 N 0.70 1.62 -2.51 5.18 -2.24 -1.26 -4.89 114.28 110.87 1a5h n THR 186 Ca 0.08 -1.71 -0.31 0.00 -2.27 0.00 0.00 64.05 59.84 1a5h n THR 186 Cb 0.33 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 1a5h n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a5h s ARG 186 N -2.15 3.80 -0.45 -0.78 0.52 -1.26 -5.15 118.95 113.48 1a5h s ARG 186 Ca 0.24 0.68 0.07 0.00 -0.52 0.00 0.00 55.73 56.21 1a5h s ARG 186 Cb 0.20 -2.24 0.27 0.00 0.52 0.00 0.00 34.95 33.70 1a5h s ARG 186 CO 0.05 -0.22 0.84 -1.13 0.02 0.00 0.00 175.30 174.86 1a5h n SER 186 N -1.69 -1.69 0.00 0.23 3.41 -1.26 -5.05 113.62 107.57 1a5h n SER 186 Ca 0.04 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.43 1a5h n SER 186 Cb 0.54 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1a5h n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5h n GLY 186 N 1.17 -0.98 0.37 5.00 0.00 -1.26 -5.14 105.19 104.35 1a5h n GLY 186 Ca 0.13 -1.01 0.14 0.00 0.00 0.00 0.00 46.02 45.27 1a5h n GLY 186 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a5h n PRO 186 N 0.00 1.31 -3.44 1.61 -0.02 -1.26 -4.95 135.00 128.25 1a5h n PRO 186 Ca 0.00 -0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 60.35 1a5h n PRO 186 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1a5h n PRO 186 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1a5h s GLN 186 N -2.20 3.99 0.52 -0.52 -0.21 -1.26 -5.01 119.66 114.97 1a5h s GLN 186 Ca 0.33 0.49 0.31 0.00 0.02 0.00 0.00 55.36 56.51 1a5h s GLN 186 Cb 0.20 -3.23 1.16 0.00 1.00 0.00 0.00 33.01 32.15 1a5h s GLN 186 CO 0.41 0.67 1.91 0.00 -2.12 0.00 0.00 175.29 176.16 1a5h h ALA 186 N 4.70 1.00 -2.84 6.09 0.00 -2.01 -3.45 119.26 122.75 1a5h h ALA 186 Ca -0.51 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 1a5h h ALA 186 Cb 1.22 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.78 1a5h h ALA 186 CO 0.62 0.02 -0.37 -0.80 0.00 0.00 0.00 179.25 178.72 1a5h s ASN 186 N -5.82 -0.20 0.29 0.00 0.01 -1.26 -5.05 114.94 102.91 1a5h s ASN 186 Ca 0.02 0.28 -0.29 0.00 -0.71 0.00 0.00 52.86 52.16 1a5h s ASN 186 Cb 0.08 0.43 -0.10 0.00 0.41 0.00 0.00 41.25 42.07 1a5h s ASN 186 CO 0.57 -0.25 1.17 -0.76 -1.51 0.00 0.00 177.10 176.32 1a5h s LEU 187 N -0.58 4.51 0.31 0.60 1.43 -1.26 -4.64 118.68 119.05 1a5h s LEU 187 Ca -0.07 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 55.16 1a5h s LEU 187 Cb -0.04 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.45 1a5h s LEU 187 CO 0.02 -0.28 1.15 -1.00 0.23 0.00 0.00 176.35 176.47 1a5h s HIS 188 N -1.13 3.40 -0.27 0.29 3.76 -1.26 -3.93 115.29 116.16 1a5h s HIS 188 Ca 0.46 1.62 -0.33 0.00 -0.15 0.00 0.00 55.06 56.66 1a5h s HIS 188 Cb -0.35 -3.38 0.17 0.00 1.11 0.00 0.00 32.58 30.13 1a5h s HIS 188 CO 0.45 -0.93 1.33 0.34 -0.85 0.00 0.00 174.74 175.09 1a5h s ASP 189 N -0.83 -0.05 0.82 1.40 2.15 -0.70 -3.67 116.67 115.78 1a5h s ASP 189 Ca 0.47 0.04 -0.12 0.00 0.43 0.00 0.00 52.55 53.37 1a5h s ASP 189 Cb -0.33 0.05 0.08 0.00 -0.30 0.00 0.00 42.92 42.42 1a5h s ASP 189 CO 0.43 -0.07 1.14 0.00 -0.17 0.00 0.00 175.17 176.50 1a5h s ALA 190 N -1.51 2.37 0.35 3.66 0.00 -1.26 0.74 121.76 126.10 1a5h s ALA 190 Ca 0.09 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 1a5h s ALA 190 Cb -0.01 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.12 1a5h s ALA 190 CO -0.05 -1.76 0.66 0.00 0.00 0.00 0.00 175.76 174.61 1a5h n GLN 192 N -0.52 1.53 0.00 0.00 6.02 -1.26 -0.70 117.38 122.45 1a5h n GLN 192 Ca -0.05 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1a5h n GLN 192 Cb 0.60 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 29.34 1a5h n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a5h n GLY 193 N 5.34 2.19 0.10 1.08 0.00 -1.26 -0.67 105.19 111.97 1a5h n GLY 193 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.45 1a5h n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5h h ASP 194 N 0.00 0.00 -1.65 1.61 3.32 -1.26 -3.32 116.42 115.12 1a5h h ASP 194 Ca 0.00 -0.12 -0.66 0.00 0.02 0.00 0.00 57.03 56.27 1a5h h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1a5h h ASP 194 CO 0.00 0.06 -0.03 -1.20 -1.72 0.00 0.00 179.24 176.35 1a5h n SER 195 N -2.35 0.37 0.00 6.45 7.64 -1.26 -0.96 113.62 123.52 1a5h n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1a5h n SER 195 Cb 0.47 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1a5h n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5h n GLY 196 N 1.77 2.43 3.77 0.23 0.00 -0.38 -1.19 105.19 111.82 1a5h n GLY 196 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1a5h n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5h s GLY 197 N -1.92 1.59 0.17 -0.02 0.00 -0.13 -3.69 107.32 103.32 1a5h s GLY 197 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 44.72 44.22 1a5h s GLY 197 CO 0.00 0.16 0.59 2.56 0.00 0.00 0.00 173.10 176.41 1a5h s PRO 198 N -5.17 4.02 -0.34 2.90 0.04 -1.26 -1.32 135.00 133.88 1a5h s PRO 198 Ca 0.63 0.56 0.03 0.00 0.04 0.00 0.00 61.00 62.26 1a5h s PRO 198 Cb -0.15 -2.89 0.10 0.00 0.04 0.00 0.00 34.50 31.60 1a5h s PRO 198 CO 0.54 0.44 0.05 -1.17 0.04 0.00 0.00 177.00 176.90 1a5h s LEU 199 N -2.05 4.65 0.04 -3.56 2.96 -0.53 -3.56 118.68 116.64 1a5h s LEU 199 Ca 0.40 -2.04 0.05 0.00 -0.22 0.00 0.00 54.13 52.32 1a5h s LEU 199 Cb -0.15 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1a5h s LEU 199 CO 0.20 -0.37 -0.08 0.68 -1.32 0.00 0.00 176.35 175.45 1a5h s VAL 200 N 0.96 3.50 0.23 1.68 -7.23 0.09 -1.37 120.40 118.25 1a5h s VAL 200 Ca 0.08 -0.98 0.09 0.00 -1.81 0.00 0.00 61.98 59.36 1a5h s VAL 200 Cb -0.20 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 1a5h s VAL 200 CO -0.07 0.29 -0.15 0.00 -0.31 0.00 0.00 175.10 174.86 1a5h s LEU 202 N -3.38 4.08 -0.05 0.00 2.96 -1.26 0.44 118.68 121.47 1a5h s LEU 202 Ca 0.25 0.92 0.01 0.00 -0.22 0.00 0.00 54.13 55.09 1a5h s LEU 202 Cb -0.01 -3.06 0.02 0.00 0.50 0.00 0.00 46.19 43.64 1a5h s LEU 202 CO 0.09 -0.45 -0.03 0.21 -1.32 0.00 0.00 176.35 174.85 1a5h s ASN 203 N 1.37 0.99 -1.57 3.68 2.47 0.67 -4.86 114.94 117.68 1a5h s ASN 203 Ca 0.32 -0.11 -0.07 0.00 0.42 0.00 0.00 52.86 53.42 1a5h s ASN 203 Cb -0.15 -0.43 0.06 0.00 -1.45 0.00 0.00 41.25 39.28 1a5h s ASN 203 CO 0.08 -0.08 0.38 0.47 -3.72 0.00 0.00 177.10 174.23 1a5h n ASP 204 N 4.21 -0.67 0.00 -4.21 8.00 -1.26 -0.69 116.55 121.93 1a5h n ASP 204 Ca -0.23 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.15 1a5h n ASP 204 Cb 0.51 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 1a5h n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5h n GLY 205 N -1.96 2.97 3.40 0.44 0.00 -1.26 -5.00 105.19 103.79 1a5h n GLY 205 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1a5h n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5h s ARG 206 N 0.00 1.44 -0.27 1.61 0.52 0.13 -5.09 118.95 117.30 1a5h s ARG 206 Ca 0.00 -1.39 -0.29 0.00 -0.52 0.00 0.00 55.73 53.53 1a5h s ARG 206 Cb 0.00 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.57 1a5h s ARG 206 CO 0.00 0.44 1.37 -1.64 0.02 0.00 0.00 175.30 175.49 1a5h s MET 207 N -2.23 3.90 -0.10 3.54 -1.94 -1.26 -0.24 119.30 120.98 1a5h s MET 207 Ca 0.16 1.36 -0.03 0.00 -1.71 0.00 0.00 55.69 55.47 1a5h s MET 207 Cb -0.09 -3.91 -0.03 0.00 2.01 0.00 0.00 34.83 32.80 1a5h s MET 207 CO 0.07 -1.14 0.02 0.99 -0.01 0.00 0.00 175.02 174.95 1a5h s THR 208 N 4.51 4.46 0.18 2.05 2.01 0.17 -3.09 115.64 125.93 1a5h s THR 208 Ca 0.60 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1a5h s THR 208 Cb -0.19 -2.89 -0.08 0.00 0.01 0.00 0.00 72.50 69.35 1a5h s THR 208 CO 0.24 0.60 1.14 -0.22 -0.69 0.00 0.00 174.62 175.69 1a5h s LEU 209 N -0.80 4.47 -0.01 4.42 2.96 -0.51 -0.48 118.68 128.74 1a5h s LEU 209 Ca 0.12 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 1a5h s LEU 209 Cb -0.12 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1a5h s LEU 209 CO 0.02 -0.29 -0.00 0.52 -1.32 0.00 0.00 176.35 175.28 1a5h n VAL 210 N 2.43 0.05 -3.72 1.68 0.31 -0.47 -3.65 118.33 114.96 1a5h n VAL 210 Ca 0.03 -0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.25 1a5h n VAL 210 Cb 0.46 -0.69 -0.03 0.00 -0.91 0.00 0.00 33.84 32.66 1a5h n VAL 210 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1a5h s GLY 211 N -3.72 -0.15 -0.17 2.92 0.00 -1.05 -2.93 107.32 102.22 1a5h s GLY 211 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.53 1a5h s GLY 211 CO 0.02 -0.19 -0.07 -0.42 0.00 0.00 0.00 173.10 172.44 1a5h s ILE 212 N -3.87 3.46 -0.22 0.90 1.01 -1.17 -1.45 121.20 119.87 1a5h s ILE 212 Ca 0.09 -0.50 -0.33 0.00 0.00 0.00 0.00 60.65 59.91 1a5h s ILE 212 Cb -0.02 -2.52 -0.10 0.00 0.01 0.00 0.00 42.46 39.83 1a5h s ILE 212 CO -0.03 0.48 2.07 -0.38 0.00 0.00 0.00 174.94 177.08 1a5h n ILE 213 N 4.00 0.38 -0.00 2.92 5.41 -0.43 -1.62 119.36 130.01 1a5h n ILE 213 Ca -0.18 -0.24 -0.00 0.00 1.00 0.00 0.00 62.75 63.33 1a5h n ILE 213 Cb 0.52 -1.93 -0.00 0.00 -0.71 0.00 0.00 39.64 37.51 1a5h n ILE 213 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1a5h n SER 214 N 8.95 0.04 -2.58 4.38 2.88 -0.84 -1.25 113.62 125.19 1a5h n SER 214 Ca 0.31 0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.77 1a5h n SER 214 Cb 0.30 -0.38 0.02 0.00 -0.75 0.00 0.00 64.21 63.39 1a5h n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1a5h n TRP 215 N -2.54 -2.06 0.00 0.66 4.27 -1.10 -4.89 117.44 111.78 1a5h n TRP 215 Ca -0.00 -1.69 0.00 0.00 -3.89 0.00 0.00 57.50 51.92 1a5h n TRP 215 Cb 0.01 0.76 0.00 0.00 -1.36 0.00 0.00 31.31 30.72 1a5h n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1a5h n GLY 216 N -0.47 -0.93 3.12 -1.67 0.00 -1.26 -1.11 105.19 102.87 1a5h n GLY 216 Ca -0.06 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1a5h n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5h s LEU 217 N 0.00 5.28 0.00 0.99 1.43 -1.26 -5.00 118.68 120.12 1a5h s LEU 217 Ca 0.00 -2.17 0.00 0.00 -1.03 0.00 0.00 54.13 50.93 1a5h s LEU 217 Cb 0.00 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1a5h s LEU 217 CO 0.00 -0.52 0.00 0.61 0.23 0.00 0.00 176.35 176.67 1a5h n GLY 219 N 4.42 -0.71 3.36 -3.19 0.00 -1.26 -4.75 105.19 103.06 1a5h n GLY 219 Ca -0.01 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 1a5h n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5h n GLY 221 N 4.44 -0.40 3.68 0.00 0.00 -1.26 -4.85 105.19 106.80 1a5h n GLY 221 Ca -0.21 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1a5h n GLY 221 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a5h s GLN 221 N -5.85 4.27 -0.29 1.61 0.74 -1.26 -4.54 119.66 114.33 1a5h s GLN 221 Ca 0.39 0.53 -0.35 0.00 0.05 0.00 0.00 55.36 55.97 1a5h s GLN 221 Cb -0.17 -3.52 -0.12 0.00 1.10 0.00 0.00 33.01 30.30 1a5h s GLN 221 CO 0.48 -0.06 2.08 1.17 -0.55 0.00 0.00 175.29 178.41 1a5h n LYS 222 N 4.43 1.30 -1.00 1.67 4.81 -1.26 -1.92 118.16 126.19 1a5h n LYS 222 Ca -0.04 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1a5h n LYS 222 Cb 0.51 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.08 1a5h n LYS 222 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1a5h n ASP 223 N 8.78 -2.71 -4.24 3.14 8.00 -1.26 -5.03 116.55 123.22 1a5h n ASP 223 Ca 0.36 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.50 1a5h n ASP 223 Cb 0.23 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.68 1a5h n ASP 223 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1a5h s VAL 224 N -2.21 3.22 0.86 2.53 1.01 -0.81 -5.01 120.40 120.00 1a5h s VAL 224 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1a5h s VAL 224 Cb 0.00 -2.66 0.14 0.00 0.00 0.00 0.00 36.38 33.86 1a5h s VAL 224 CO 0.00 0.14 1.21 -2.16 0.00 0.00 0.00 175.10 174.29 1a5h s PRO 225 N 1.37 1.29 -0.00 2.72 0.04 -1.26 -4.60 135.00 134.56 1a5h s PRO 225 Ca 0.01 -0.35 -0.01 0.00 0.04 0.00 0.00 61.00 60.68 1a5h s PRO 225 Cb -0.17 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1a5h s PRO 225 CO -0.02 -1.94 0.11 0.20 0.04 0.00 0.00 177.00 175.39 1a5h s GLY 226 N -4.75 2.06 -0.09 0.56 0.00 0.23 -4.67 107.32 100.66 1a5h s GLY 226 Ca 0.68 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 44.45 1a5h s GLY 226 CO 0.50 -0.73 0.24 0.14 0.00 0.00 0.00 173.10 173.26 1a5h s VAL 227 N -1.24 5.33 0.04 1.40 1.01 -0.27 -1.46 120.40 125.21 1a5h s VAL 227 Ca 0.24 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.71 1a5h s VAL 227 Cb -0.12 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1a5h s VAL 227 CO 0.15 0.56 -0.10 -0.31 0.00 0.00 0.00 175.10 175.41 1a5h s TYR 228 N -0.76 0.90 0.21 5.22 1.51 0.13 -2.00 117.35 122.57 1a5h s TYR 228 Ca 0.17 -0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 55.57 1a5h s TYR 228 Cb -0.14 -0.53 -0.08 0.00 -0.11 0.00 0.00 41.96 41.10 1a5h s TYR 228 CO 0.07 -0.01 1.18 0.99 -1.11 0.00 0.00 175.55 176.66 1a5h s THR 229 N -0.96 3.53 -0.60 -0.71 2.01 -0.64 0.15 115.64 118.42 1a5h s THR 229 Ca -0.03 1.35 -0.27 0.00 0.31 0.00 0.00 61.69 63.05 1a5h s THR 229 Cb -0.08 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.58 1a5h s THR 229 CO 0.01 0.24 1.50 -0.54 -0.69 0.00 0.00 174.62 175.14 1a5h s LYS 230 N -0.56 3.13 0.45 4.92 1.02 0.41 -3.03 119.74 126.08 1a5h s LYS 230 Ca 0.51 0.37 0.13 0.00 0.02 0.00 0.00 55.97 56.99 1a5h s LYS 230 Cb -0.33 -4.20 1.02 0.00 -0.52 0.00 0.00 37.83 33.81 1a5h s LYS 230 CO 0.38 -2.16 2.03 0.28 -0.92 0.00 0.00 175.35 174.97 1a5h h VAL 231 N 6.43 1.10 -0.82 3.17 2.07 -1.87 -1.96 116.25 124.37 1a5h h VAL 231 Ca -0.27 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1a5h h VAL 231 Cb 1.10 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1a5h h VAL 231 CO 1.20 0.13 0.48 0.71 0.02 0.00 0.00 177.57 180.11 1a5h h THR 232 N 0.13 1.23 0.00 2.57 1.35 -1.89 0.01 112.91 116.31 1a5h h THR 232 Ca 0.03 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1a5h h THR 232 Cb 0.18 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 1a5h h THR 232 CO 0.01 0.25 0.00 0.78 -0.25 0.00 0.00 175.52 176.31 1a5h h ASN 233 N 1.14 0.00 -0.16 5.36 4.21 -1.75 -2.72 115.58 121.66 1a5h h ASN 233 Ca 0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.80 1a5h h ASN 233 Cb -0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 1a5h h ASN 233 CO -0.05 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.87 1a5h n TYR 234 N -2.94 0.34 -0.25 1.19 4.01 -0.10 -4.63 117.16 114.78 1a5h n TYR 234 Ca -0.01 -0.67 -0.00 0.00 -0.16 0.00 0.00 57.90 57.06 1a5h n TYR 234 Cb 0.18 -0.12 0.12 0.00 -0.31 0.00 0.00 39.34 39.21 1a5h n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1a5h h LEU 235 N 1.01 0.59 0.36 7.72 3.38 -0.98 0.17 115.31 127.56 1a5h h LEU 235 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1a5h h LEU 235 Cb 0.86 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1a5h h LEU 235 CO 0.05 0.37 -0.19 -2.24 0.09 0.00 0.00 178.44 176.51 1a5h h ASP 236 N 0.73 -0.47 -0.30 -0.43 2.03 -1.82 -2.12 116.42 114.03 1a5h h ASP 236 Ca 0.33 0.02 0.05 0.00 -0.73 0.00 0.00 57.03 56.70 1a5h h ASP 236 Cb 0.23 0.13 -0.04 0.00 -0.83 0.00 0.00 39.33 38.82 1a5h h ASP 236 CO -0.20 -0.32 0.03 -0.25 -1.03 0.00 0.00 179.24 177.47 1a5h h TRP 237 N -0.51 0.05 0.18 4.15 7.01 -1.67 -1.53 115.95 123.63 1a5h h TRP 237 Ca -0.04 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.99 1a5h h TRP 237 Cb 0.41 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 1a5h h TRP 237 CO -0.07 -0.01 -0.45 0.82 -2.79 0.00 0.00 178.44 175.94 1a5h h ILE 238 N 0.13 0.11 -0.94 2.65 2.04 -0.60 -0.24 117.51 120.67 1a5h h ILE 238 Ca 0.14 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.12 1a5h h ILE 238 Cb 0.17 0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 36.29 1a5h h ILE 238 CO -0.21 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.54 1a5h h ARG 239 N -0.73 0.89 -0.24 2.37 -0.00 -1.15 -2.46 114.38 113.07 1a5h h ARG 239 Ca 0.00 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.98 59.30 1a5h h ARG 239 Cb 0.72 -0.20 -0.01 0.00 0.00 0.00 0.00 29.97 30.48 1a5h h ARG 239 CO -0.22 0.59 -0.39 -0.44 0.00 0.00 0.00 179.97 179.50 1a5h h ASP 240 N 0.91 0.59 0.45 7.04 3.32 -0.64 -3.23 116.42 124.86 1a5h h ASP 240 Ca 0.46 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1a5h h ASP 240 Cb 0.46 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1a5h h ASP 240 CO -0.26 0.92 -0.35 0.59 -1.72 0.00 0.00 179.24 178.41 1a5h n ASN 241 N -4.03 0.61 -3.77 6.45 3.02 -0.16 -4.59 115.26 112.79 1a5h n ASN 241 Ca -0.02 -0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 53.71 1a5h n ASN 241 Cb 0.51 0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.79 1a5h n ASN 241 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1a5h n MET 242 N -1.20 2.47 -3.84 3.52 2.81 -0.96 -4.91 117.12 115.02 1a5h n MET 242 Ca 0.08 -2.43 -0.35 0.00 -1.81 0.00 0.00 57.70 53.20 1a5h n MET 242 Cb 0.33 -3.21 -0.09 0.00 -0.71 0.00 0.00 33.22 29.55 1a5h n MET 242 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1a5h s ARG 243 N 3.82 4.09 0.00 0.03 1.81 -1.26 -5.06 118.95 122.38 1a5h s ARG 243 Ca 0.51 -0.27 0.06 0.00 -1.72 0.00 0.00 55.73 54.31 1a5h s ARG 243 Cb 0.13 -3.33 0.34 0.00 -0.45 0.00 0.00 34.95 31.64 1a5h s ARG 243 CO -0.02 0.30 0.81 -2.30 -0.68 0.00 0.00 175.30 173.41