#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y7i s GLY 4 N 0.00 1.71 0.28 -1.84 0.00 -1.26 -5.02 107.32 101.20 1y7i s GLY 4 Ca 0.00 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.36 1y7i s GLY 4 CO 0.00 1.03 0.44 0.54 0.00 0.00 0.00 173.10 175.11 1y7i s LYS 5 N -4.62 3.46 -0.43 2.90 3.01 -1.26 -4.83 119.74 117.97 1y7i s LYS 5 Ca 0.67 -0.56 -0.11 0.00 -1.01 0.00 0.00 55.97 54.96 1y7i s LYS 5 Cb -0.23 -2.79 0.07 0.00 -1.01 0.00 0.00 37.83 33.87 1y7i s LYS 5 CO 0.58 0.31 0.30 -1.58 0.51 0.00 0.00 175.35 175.46 1y7i s HIS 6 N -2.12 3.30 -0.22 3.18 5.65 -1.26 -0.55 115.29 123.27 1y7i s HIS 6 Ca 0.37 -1.30 -0.21 0.00 0.25 0.00 0.00 55.06 54.16 1y7i s HIS 6 Cb -0.09 -2.99 -0.02 0.00 -1.18 0.00 0.00 32.58 28.30 1y7i s HIS 6 CO 0.32 -0.82 0.67 -0.06 -0.65 0.00 0.00 174.74 174.20 1y7i s PHE 7 N 1.50 3.33 -0.43 3.88 0.08 0.23 -1.11 117.98 125.47 1y7i s PHE 7 Ca 0.03 0.93 -0.10 0.00 0.12 0.00 0.00 56.93 57.91 1y7i s PHE 7 Cb -0.23 -2.86 0.08 0.00 -0.57 0.00 0.00 43.02 39.44 1y7i s PHE 7 CO 0.04 -0.26 0.29 0.08 -0.10 0.00 0.00 175.22 175.27 1y7i s VAL 8 N 2.27 4.40 -0.20 -0.44 1.01 0.45 -1.07 120.40 126.82 1y7i s VAL 8 Ca 0.29 -1.39 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 1y7i s VAL 8 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1y7i s VAL 8 CO 0.09 -0.55 0.65 -0.76 0.00 0.00 0.00 175.10 174.53 1y7i s LEU 9 N 1.46 4.14 -0.25 3.92 1.43 -0.77 -0.89 118.68 127.71 1y7i s LEU 9 Ca 0.03 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1y7i s LEU 9 Cb -0.24 -2.92 0.03 0.00 0.03 0.00 0.00 46.19 43.09 1y7i s LEU 9 CO 0.02 -0.30 -0.07 -0.69 0.23 0.00 0.00 176.35 175.55 1y7i s VAL 10 N 2.00 2.76 0.94 -1.59 1.01 0.15 -3.64 120.40 122.03 1y7i s VAL 10 Ca 0.29 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1y7i s VAL 10 Cb -0.16 -2.44 0.16 0.00 0.00 0.00 0.00 36.38 33.94 1y7i s VAL 10 CO 0.10 0.15 1.09 -1.38 0.00 0.00 0.00 175.10 175.06 1y7i s HIS 11 N 1.29 2.21 0.00 5.22 -3.43 -1.26 -1.21 115.29 118.10 1y7i s HIS 11 Ca -0.01 1.15 0.00 0.00 -0.80 0.00 0.00 55.06 55.39 1y7i s HIS 11 Cb -0.17 -3.20 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 1y7i s HIS 11 CO -0.05 -2.62 0.00 0.41 -2.00 0.00 0.00 174.74 170.48 1y7i n GLY 12 N -1.09 0.75 3.75 -1.38 0.00 -1.22 -3.61 105.19 102.39 1y7i n GLY 12 Ca 0.06 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1y7i n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y7i s ALA 13 N -2.84 3.48 0.00 4.61 0.00 -1.26 -3.05 121.76 122.70 1y7i s ALA 13 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1y7i s ALA 13 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1y7i s ALA 13 CO 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 175.76 175.29 1y7i n HIS 15 N -2.00 -1.76 -3.54 0.00 -0.00 -1.17 -2.28 115.22 104.47 1y7i n HIS 15 Ca 0.00 -0.27 -0.04 0.00 -0.00 0.00 0.00 57.72 57.41 1y7i n HIS 15 Cb 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.99 29.93 1y7i n HIS 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1y7i n GLY 16 N 4.21 2.22 0.31 -1.41 0.00 -1.26 -3.83 105.19 105.44 1y7i n GLY 16 Ca 0.00 -1.30 0.18 0.00 0.00 0.00 0.00 46.02 44.91 1y7i n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y7i h GLY 17 N 0.74 0.00 2.00 -0.02 0.00 -1.75 -1.69 103.07 102.35 1y7i h GLY 17 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1y7i h GLY 17 CO 0.15 0.00 -0.12 0.11 0.00 0.00 0.00 176.54 176.68 1y7i h TRP 18 N 0.00 0.00 0.00 5.60 5.08 -1.90 -2.64 115.95 122.09 1y7i h TRP 18 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1y7i h TRP 18 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 1y7i h TRP 18 CO 0.00 0.12 0.01 0.66 -1.28 0.00 0.00 178.44 177.95 1y7i h SER 19 N 0.00 0.00 -0.51 0.11 4.64 -1.71 -1.32 113.55 114.76 1y7i h SER 19 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y7i h SER 19 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1y7i h SER 19 CO 0.02 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.77 1y7i n TRP 20 N -2.54 0.67 0.27 4.77 7.02 -1.00 -4.60 117.44 122.04 1y7i n TRP 20 Ca -0.02 -0.34 0.17 0.00 -1.02 0.00 0.00 57.50 56.29 1y7i n TRP 20 Cb 0.05 0.00 0.83 0.00 -2.42 0.00 0.00 31.31 29.77 1y7i n TRP 20 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 1y7i h TYR 21 N 3.87 0.00 0.00 -5.99 -0.00 -1.42 0.08 116.97 113.52 1y7i h TYR 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.73 58.43 1y7i h TYR 21 Cb 0.87 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.55 1y7i h TYR 21 CO 0.34 0.00 -1.74 1.63 -0.00 0.00 0.00 178.16 178.38 1y7i n LYS 22 N -3.16 0.64 0.09 0.10 5.02 -1.26 -4.37 118.16 115.22 1y7i n LYS 22 Ca 0.00 0.29 -0.23 0.00 -2.02 0.00 0.00 58.31 56.35 1y7i n LYS 22 Cb 0.41 -1.78 -0.15 0.00 -0.02 0.00 0.00 35.03 33.49 1y7i n LYS 22 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1y7i h LEU 23 N 0.00 0.66 -0.61 -0.35 5.85 -1.45 -3.38 115.31 116.03 1y7i h LEU 23 Ca -0.30 -0.92 0.12 0.00 0.84 0.00 0.00 57.88 57.62 1y7i h LEU 23 Cb 2.02 -0.21 -0.12 0.00 0.37 0.00 0.00 40.66 42.73 1y7i h LEU 23 CO 0.08 1.68 -0.15 0.50 -0.34 0.00 0.00 178.44 180.21 1y7i h LYS 24 N -0.01 0.00 -0.63 1.25 3.64 -1.26 -1.60 116.57 117.97 1y7i h LYS 24 Ca -0.28 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1y7i h LYS 24 Cb 2.02 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.80 1y7i h LYS 24 CO 0.20 0.00 0.39 -1.35 -2.27 0.00 0.00 179.45 176.42 1y7i h PRO 25 N 0.00 0.75 -0.55 1.90 0.11 -1.76 -1.46 132.00 130.99 1y7i h PRO 25 Ca 0.29 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1y7i h PRO 25 Cb 0.44 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1y7i h PRO 25 CO -0.63 0.50 0.33 -0.07 -0.21 0.00 0.00 178.00 177.92 1y7i h LEU 26 N 0.77 0.66 -0.52 2.35 4.07 -1.52 0.87 115.31 121.98 1y7i h LEU 26 Ca 0.25 -0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.10 1y7i h LEU 26 Cb 0.00 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 1y7i h LEU 26 CO -0.09 0.52 0.10 -0.07 -1.08 0.00 0.00 178.44 177.82 1y7i h LEU 27 N 0.74 0.80 -0.91 1.67 3.38 -1.12 -2.88 115.31 117.00 1y7i h LEU 27 Ca 0.20 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1y7i h LEU 27 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1y7i h LEU 27 CO -0.04 0.84 -0.08 -0.33 0.09 0.00 0.00 178.44 178.93 1y7i h GLU 28 N 0.73 0.72 -0.01 1.13 5.08 -0.89 -1.81 114.58 119.52 1y7i h GLU 28 Ca 0.16 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1y7i h GLU 28 Cb 0.37 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1y7i h GLU 28 CO 0.01 0.78 0.01 0.00 -1.00 0.00 0.00 179.01 178.81 1y7i h ALA 29 N 1.26 1.67 -0.15 3.43 0.00 -0.63 0.37 119.26 125.21 1y7i h ALA 29 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y7i h ALA 29 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1y7i h ALA 29 CO 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1y7i n ALA 30 N -2.38 2.50 -1.33 0.00 0.00 -0.70 -4.87 120.51 113.72 1y7i n ALA 30 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1y7i n ALA 30 Cb 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1y7i n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y7i n GLY 31 N 0.81 0.39 3.83 0.00 0.00 0.13 -5.02 105.19 105.33 1y7i n GLY 31 Ca 0.08 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 1y7i n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1y7i s HIS 32 N -2.00 3.20 0.11 1.61 3.76 -1.08 -4.24 115.29 116.65 1y7i s HIS 32 Ca 0.00 -0.03 -0.13 0.00 -0.15 0.00 0.00 55.06 54.75 1y7i s HIS 32 Cb 0.00 -1.50 -0.06 0.00 1.11 0.00 0.00 32.58 32.13 1y7i s HIS 32 CO 0.00 0.51 0.49 0.21 -0.85 0.00 0.00 174.74 175.11 1y7i s LYS 33 N -3.41 3.92 -0.02 1.40 2.20 0.29 -4.11 119.74 120.01 1y7i s LYS 33 Ca 0.32 0.40 -0.00 0.00 -0.36 0.00 0.00 55.97 56.33 1y7i s LYS 33 Cb -0.09 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.26 1y7i s LYS 33 CO 0.25 0.53 0.03 0.08 -0.36 0.00 0.00 175.35 175.88 1y7i s VAL 34 N -1.40 -0.04 -0.24 4.02 1.01 -1.26 -0.60 120.40 121.89 1y7i s VAL 34 Ca 0.35 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1y7i s VAL 34 Cb -0.15 -0.08 0.07 0.00 0.00 0.00 0.00 36.38 36.22 1y7i s VAL 34 CO 0.18 0.07 -0.01 -0.89 0.00 0.00 0.00 175.10 174.45 1y7i s THR 35 N 0.81 1.29 -0.89 3.92 2.01 -0.23 -4.97 115.64 117.58 1y7i s THR 35 Ca -0.07 -1.18 -0.08 0.00 0.31 0.00 0.00 61.69 60.67 1y7i s THR 35 Cb -0.10 -1.68 0.23 0.00 0.01 0.00 0.00 72.50 70.96 1y7i s THR 35 CO -0.02 -0.23 0.82 0.00 -0.69 0.00 0.00 174.62 174.49 1y7i s ALA 36 N 1.49 4.23 0.64 7.40 0.00 -1.26 -1.85 121.76 132.40 1y7i s ALA 36 Ca -0.02 -3.57 -0.10 0.00 0.00 0.00 0.00 51.96 48.28 1y7i s ALA 36 Cb -0.18 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1y7i s ALA 36 CO -0.09 -2.21 1.01 -0.48 0.00 0.00 0.00 175.76 173.99 1y7i s LEU 37 N -0.59 3.13 -0.18 0.00 2.34 -1.24 -4.36 118.68 117.78 1y7i s LEU 37 Ca 0.23 1.11 -0.10 0.00 0.06 0.00 0.00 54.13 55.43 1y7i s LEU 37 Cb -0.11 -3.99 -0.05 0.00 -0.56 0.00 0.00 46.19 41.48 1y7i s LEU 37 CO -0.08 -1.08 0.16 -1.81 -1.06 0.00 0.00 176.35 172.47 1y7i s ASP 38 N -4.28 6.28 0.91 1.48 -0.00 -1.26 -3.42 116.67 116.39 1y7i s ASP 38 Ca 0.55 0.32 -0.14 0.00 -0.00 0.00 0.00 52.55 53.29 1y7i s ASP 38 Cb -0.11 -2.10 0.17 0.00 -0.00 0.00 0.00 42.92 40.89 1y7i s ASP 38 CO 0.50 0.22 1.27 -0.76 -0.00 0.00 0.00 175.17 176.40 1y7i s LEU 39 N 0.06 2.72 0.35 1.23 1.43 -1.26 -4.80 118.68 118.40 1y7i s LEU 39 Ca 0.11 0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 53.21 1y7i s LEU 39 Cb -0.12 -2.42 -0.12 0.00 0.03 0.00 0.00 46.19 43.56 1y7i s LEU 39 CO 0.00 -2.52 1.20 0.00 0.23 0.00 0.00 176.35 175.27 1y7i n ALA 40 N -3.60 0.86 -2.77 4.21 0.00 -0.66 -1.75 120.51 116.80 1y7i n ALA 40 Ca 0.14 0.34 -0.16 0.00 0.00 0.00 0.00 53.44 53.76 1y7i n ALA 40 Cb 0.60 -2.19 -0.00 0.00 0.00 0.00 0.00 19.45 17.86 1y7i n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y7i n ALA 41 N 0.17 -0.88 -2.56 0.00 0.00 -1.25 -4.93 120.51 111.06 1y7i n ALA 41 Ca 0.06 0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.40 1y7i n ALA 41 Cb 0.36 -2.07 -0.12 0.00 0.00 0.00 0.00 19.45 17.62 1y7i n ALA 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1y7i s SER 42 N -2.29 2.21 1.76 0.00 0.01 -0.71 -4.79 113.70 109.88 1y7i s SER 42 Ca 0.15 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1y7i s SER 42 Cb -0.07 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1y7i s SER 42 CO 0.18 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1y7i n GLY 43 N 0.90 4.03 1.37 3.44 0.00 -1.25 -0.79 105.19 112.89 1y7i n GLY 43 Ca -0.18 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1y7i n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y7i n THR 44 N 0.00 0.99 -1.85 2.61 -2.24 -1.26 -4.96 114.28 107.57 1y7i n THR 44 Ca 0.00 -0.99 -0.42 0.00 -2.27 0.00 0.00 64.05 60.37 1y7i n THR 44 Cb 0.00 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1y7i n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1y7i s ASP 45 N -1.00 6.50 0.00 3.42 2.15 0.03 -4.86 116.67 122.90 1y7i s ASP 45 Ca 0.50 2.73 0.12 0.00 0.43 0.00 0.00 52.55 56.32 1y7i s ASP 45 Cb 0.26 -2.60 0.71 0.00 -0.30 0.00 0.00 42.92 40.99 1y7i s ASP 45 CO 0.34 -0.88 1.32 0.18 -0.17 0.00 0.00 175.17 175.95 1y7i n LEU 46 N 3.91 0.00 -4.86 -1.34 4.77 -1.26 -4.43 117.00 113.78 1y7i n LEU 46 Ca 0.14 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 1y7i n LEU 46 Cb 0.37 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1y7i n LEU 46 CO 0.62 0.00 0.49 -0.13 -1.33 0.00 0.00 177.39 177.04 1y7i s ARG 47 N -2.00 3.84 0.07 3.23 0.52 -1.26 -5.00 118.95 118.35 1y7i s ARG 47 Ca 0.18 0.59 0.02 0.00 -0.52 0.00 0.00 55.73 56.00 1y7i s ARG 47 Cb 0.08 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 1y7i s ARG 47 CO 0.14 -0.06 0.14 0.15 0.02 0.00 0.00 175.30 175.69 1y7i s LYS 48 N -3.79 3.14 0.32 3.54 1.02 -1.26 -3.83 119.74 118.88 1y7i s LYS 48 Ca 0.53 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.95 1y7i s LYS 48 Cb -0.10 -2.87 0.55 0.00 -0.52 0.00 0.00 37.83 34.88 1y7i s LYS 48 CO 0.30 0.59 1.96 0.97 -0.92 0.00 0.00 175.35 178.24 1y7i h ILE 49 N 2.34 1.13 0.00 2.17 6.09 -1.87 -1.33 117.51 126.05 1y7i h ILE 49 Ca -0.46 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.69 1y7i h ILE 49 Cb 1.16 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.50 1y7i h ILE 49 CO 0.71 0.18 0.00 -0.62 -3.07 0.00 0.00 178.15 175.35 1y7i n GLU 50 N -4.45 0.01 0.00 2.19 4.71 -1.26 -0.38 120.64 121.46 1y7i n GLU 50 Ca 0.10 0.43 0.12 0.00 -0.01 0.00 0.00 57.16 57.80 1y7i n GLU 50 Cb 0.11 -1.50 0.17 0.00 -1.01 0.00 0.00 31.44 29.21 1y7i n GLU 50 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1y7i n GLU 51 N -1.47 0.10 -3.28 3.49 1.02 -0.50 -4.81 120.64 115.20 1y7i n GLU 51 Ca 0.01 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 1y7i n GLU 51 Cb 0.03 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.87 1y7i n GLU 51 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1y7i s LEU 52 N -2.94 4.54 -0.09 -4.62 1.43 0.49 -4.90 118.68 112.58 1y7i s LEU 52 Ca 0.12 -0.30 0.19 0.00 -1.03 0.00 0.00 54.13 53.10 1y7i s LEU 52 Cb 0.17 -2.50 -0.28 0.00 0.03 0.00 0.00 46.19 43.61 1y7i s LEU 52 CO 0.72 -0.52 0.29 0.54 0.23 0.00 0.00 176.35 177.61 1y7i n ARG 53 N 5.70 0.74 -4.29 1.70 5.12 -1.26 -5.03 116.66 119.34 1y7i n ARG 53 Ca -0.06 -0.11 -0.17 0.00 -1.93 0.00 0.00 57.85 55.58 1y7i n ARG 53 Cb 0.48 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 30.21 1y7i n ARG 53 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1y7i s THR 54 N -3.02 0.16 0.27 0.55 -4.23 -1.26 -4.77 115.64 103.34 1y7i s THR 54 Ca -0.08 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1y7i s THR 54 Cb 0.10 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.49 1y7i s THR 54 CO 0.82 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.84 1y7i h LEU 55 N 2.30 0.49 -0.00 4.79 5.85 -1.96 -3.12 115.31 123.66 1y7i h LEU 55 Ca -0.32 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.24 1y7i h LEU 55 Cb 1.25 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1y7i h LEU 55 CO 0.48 0.77 -0.11 0.22 -0.34 0.00 0.00 178.44 179.47 1y7i h TYR 56 N 0.42 -0.27 -0.93 1.25 5.03 -1.96 0.02 116.97 120.53 1y7i h TYR 56 Ca 0.06 0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.50 1y7i h TYR 56 Cb 0.73 0.12 -0.07 0.00 1.55 0.00 0.00 36.73 39.05 1y7i h TYR 56 CO 0.02 -0.16 0.60 -0.44 -1.32 0.00 0.00 178.16 176.86 1y7i h ASP 57 N -0.18 0.80 -0.42 -2.11 3.32 -1.96 0.34 116.42 116.21 1y7i h ASP 57 Ca 0.04 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1y7i h ASP 57 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1y7i h ASP 57 CO -0.11 0.43 -0.15 0.22 -1.72 0.00 0.00 179.24 177.91 1y7i h TYR 58 N 0.86 0.97 -0.00 4.55 3.20 -1.38 -3.08 116.97 122.09 1y7i h TYR 58 Ca 0.46 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1y7i h TYR 58 Cb 0.56 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1y7i h TYR 58 CO -0.00 0.99 -0.12 2.41 -1.64 0.00 0.00 178.16 179.79 1y7i n THR 59 N -4.25 0.00 -0.37 1.81 -1.04 -0.06 -1.66 114.28 108.71 1y7i n THR 59 Ca -0.01 -0.02 0.01 0.00 -2.04 0.00 0.00 64.05 61.99 1y7i n THR 59 Cb 0.41 -0.24 0.07 0.00 -1.82 0.00 0.00 70.33 68.75 1y7i n THR 59 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1y7i n LEU 60 N -1.27 -0.55 -0.35 -4.42 7.94 0.11 0.28 117.00 118.74 1y7i n LEU 60 Ca 0.11 1.70 0.12 0.00 -1.11 0.00 0.00 56.01 56.83 1y7i n LEU 60 Cb 0.30 -0.43 0.31 0.00 0.53 0.00 0.00 43.42 44.13 1y7i n LEU 60 CO 0.26 -1.56 1.20 -0.65 -1.11 0.00 0.00 177.39 175.54 1y7i h PRO 61 N 0.00 0.78 -1.21 1.96 0.11 -1.83 0.30 132.00 132.11 1y7i h PRO 61 Ca 0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1y7i h PRO 61 Cb 0.63 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1y7i h PRO 61 CO -0.98 0.52 0.00 -0.11 -0.21 0.00 0.00 178.00 177.21 1y7i n LEU 62 N -4.73 1.27 0.00 2.35 7.94 0.14 -2.05 117.00 121.92 1y7i n LEU 62 Ca 0.23 -0.64 0.00 0.00 -1.11 0.00 0.00 56.01 54.49 1y7i n LEU 62 Cb 0.54 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.22 1y7i n LEU 62 CO 0.22 0.22 0.00 -0.62 -1.11 0.00 0.00 177.39 176.11 1y7i n GLU 64 N 0.60 0.00 0.00 1.96 1.02 0.10 -4.69 120.64 119.63 1y7i n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1y7i n GLU 64 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 1y7i n GLU 64 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1y7i n LEU 65 N 0.00 0.49 0.00 -4.62 7.94 -0.87 -2.08 117.00 117.86 1y7i n LEU 65 Ca 0.00 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.65 1y7i n LEU 65 Cb 0.00 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 43.77 1y7i n LEU 65 CO 0.00 0.11 0.00 1.21 -1.11 0.00 0.00 177.39 177.60 1y7i n GLU 67 N 0.41 0.00 0.11 1.96 4.07 -1.26 -2.54 120.64 123.40 1y7i n GLU 67 Ca 0.00 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.23 1y7i n GLU 67 Cb 0.11 0.00 0.30 0.00 -0.06 0.00 0.00 31.44 31.78 1y7i n GLU 67 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1y7i h SER 68 N 0.00 0.00 -3.70 4.31 4.64 -1.82 -3.46 113.55 113.51 1y7i h SER 68 Ca 0.00 -0.05 -0.56 0.00 -0.47 0.00 0.00 61.79 60.71 1y7i h SER 68 Cb 0.00 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.23 1y7i h SER 68 CO 0.00 0.02 0.44 0.18 -0.87 0.00 0.00 176.83 176.60 1y7i n LEU 69 N -2.38 4.45 -4.57 5.97 4.77 -1.05 -4.97 117.00 119.22 1y7i n LEU 69 Ca 0.05 0.99 -0.29 0.00 -0.03 0.00 0.00 56.01 56.73 1y7i n LEU 69 Cb 0.45 -1.50 0.22 0.00 -2.33 0.00 0.00 43.42 40.27 1y7i n LEU 69 CO 0.33 -0.93 0.57 -0.55 -1.33 0.00 0.00 177.39 175.48 1y7i s SER 70 N -0.84 1.68 0.30 -1.43 0.15 -1.26 -4.88 113.70 107.42 1y7i s SER 70 Ca 0.68 1.47 -0.01 0.00 0.70 0.00 0.00 55.95 58.80 1y7i s SER 70 Cb -0.46 -2.20 0.46 0.00 -1.71 0.00 0.00 66.02 62.12 1y7i s SER 70 CO 0.52 -3.76 1.92 0.00 1.20 0.00 0.00 173.24 173.12 1y7i h ALA 71 N -2.32 1.36 -0.36 5.45 0.00 -1.99 -2.56 119.26 118.85 1y7i h ALA 71 Ca -0.58 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 1y7i h ALA 71 Cb 1.32 -0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 1y7i h ALA 71 CO 0.52 0.52 -0.08 -0.40 0.00 0.00 0.00 179.25 179.81 1y7i n ASP 72 N -4.36 2.47 -4.51 0.00 5.75 -1.26 -4.96 116.55 109.67 1y7i n ASP 72 Ca 0.07 -3.79 -0.39 0.00 -0.01 0.00 0.00 54.79 50.67 1y7i n ASP 72 Cb 0.11 -0.64 -0.11 0.00 -1.03 0.00 0.00 41.12 39.45 1y7i n ASP 72 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1y7i s GLU 73 N -3.25 3.55 0.24 0.11 2.12 -0.97 -5.08 118.70 115.42 1y7i s GLU 73 Ca 0.45 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 55.27 1y7i s GLU 73 Cb 0.41 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1y7i s GLU 73 CO -0.00 -0.37 0.05 0.15 -0.54 0.00 0.00 175.26 174.55 1y7i s LYS 74 N 1.69 2.49 0.20 4.30 -0.14 -1.26 -4.62 119.74 122.40 1y7i s LYS 74 Ca 0.06 -1.25 -0.09 0.00 -1.36 0.00 0.00 55.97 53.33 1y7i s LYS 74 Cb -0.17 -2.32 -0.01 0.00 -1.68 0.00 0.00 37.83 33.66 1y7i s LYS 74 CO 0.09 0.40 0.33 0.14 -0.76 0.00 0.00 175.35 175.55 1y7i s VAL 75 N -2.14 0.03 -0.23 3.17 -7.23 -0.88 -4.54 120.40 108.58 1y7i s VAL 75 Ca 0.31 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1y7i s VAL 75 Cb -0.07 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.83 1y7i s VAL 75 CO 0.21 -0.15 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.14 1y7i s ILE 76 N -4.01 2.79 0.10 -0.62 1.01 -0.26 -1.27 121.20 118.95 1y7i s ILE 76 Ca 0.22 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 1y7i s ILE 76 Cb 0.02 -2.36 -0.07 0.00 0.01 0.00 0.00 42.46 40.06 1y7i s ILE 76 CO 0.05 0.29 0.64 -0.76 0.00 0.00 0.00 174.94 175.16 1y7i s LEU 77 N 1.34 4.55 -0.16 2.97 2.01 -1.08 -0.41 118.68 127.89 1y7i s LEU 77 Ca 0.02 1.39 -0.02 0.00 0.01 0.00 0.00 54.13 55.52 1y7i s LEU 77 Cb -0.16 -3.03 0.05 0.00 0.01 0.00 0.00 46.19 43.06 1y7i s LEU 77 CO -0.06 0.25 0.01 -0.69 1.01 0.00 0.00 176.35 176.88 1y7i s VAL 78 N -1.13 0.59 -0.18 -1.59 1.01 -0.07 -0.19 120.40 118.83 1y7i s VAL 78 Ca 0.31 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1y7i s VAL 78 Cb -0.21 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 1y7i s VAL 78 CO 0.21 -0.05 -0.12 -0.83 0.00 0.00 0.00 175.10 174.32 1y7i s GLY 79 N 1.84 1.52 -0.05 4.51 0.00 0.23 0.30 107.32 115.67 1y7i s GLY 79 Ca 0.01 -1.11 -0.17 0.00 0.00 0.00 0.00 44.72 43.44 1y7i s GLY 79 CO -0.07 0.22 0.45 -1.58 0.00 0.00 0.00 173.10 172.12 1y7i s HIS 80 N 1.13 3.63 0.00 1.90 2.46 -0.35 -1.40 115.29 122.66 1y7i s HIS 80 Ca 0.01 0.96 0.00 0.00 0.47 0.00 0.00 55.06 56.50 1y7i s HIS 80 Cb -0.14 -2.44 0.00 0.00 -0.13 0.00 0.00 32.58 29.87 1y7i s HIS 80 CO -0.04 0.40 0.00 -1.13 -2.47 0.00 0.00 174.74 171.51 1y7i n SER 81 N 2.73 0.00 0.26 9.88 3.41 -0.93 0.11 113.62 129.08 1y7i n SER 81 Ca -0.10 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.60 1y7i n SER 81 Cb 0.52 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.14 1y7i n SER 81 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1y7i h LEU 82 N 0.00 0.00 -1.80 1.04 5.85 -1.87 0.17 115.31 118.70 1y7i h LEU 82 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1y7i h LEU 82 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1y7i h LEU 82 CO 0.00 0.07 0.38 1.23 -0.34 0.00 0.00 178.44 179.78 1y7i h GLY 83 N 0.27 0.00 -1.83 3.75 0.00 0.74 -3.23 103.07 102.77 1y7i h GLY 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y7i h GLY 83 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1y7i n GLY 84 N -1.24 0.30 0.62 4.60 0.00 -0.50 -1.58 105.19 107.39 1y7i n GLY 84 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1y7i n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y7i n ASN 86 N 0.84 0.00 -0.32 1.61 4.13 -1.22 -2.48 115.26 117.82 1y7i n ASN 86 Ca 0.00 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.22 1y7i n ASN 86 Cb 0.07 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.39 1y7i n ASN 86 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1y7i h LEU 87 N 0.00 1.12 -0.53 3.41 4.07 -1.61 -2.87 115.31 118.91 1y7i h LEU 87 Ca 0.00 -0.13 0.10 0.00 0.08 0.00 0.00 57.88 57.93 1y7i h LEU 87 Cb 0.00 -0.29 -0.08 0.00 1.08 0.00 0.00 40.66 41.37 1y7i h LEU 87 CO 0.00 0.93 0.06 1.23 -1.08 0.00 0.00 178.44 179.59 1y7i h GLY 88 N 1.23 0.62 1.30 0.83 0.00 -1.77 -1.89 103.07 103.40 1y7i h GLY 88 Ca 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 1y7i h GLY 88 CO -0.04 -0.12 0.31 1.41 0.00 0.00 0.00 176.54 178.10 1y7i h LEU 89 N 0.19 0.82 -1.92 3.11 3.38 -1.84 -1.08 115.31 117.97 1y7i h LEU 89 Ca 0.27 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1y7i h LEU 89 Cb 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1y7i h LEU 89 CO -0.40 0.69 0.00 0.00 0.09 0.00 0.00 178.44 178.83 1y7i n ALA 90 N -2.44 2.19 0.00 1.53 0.00 -0.71 -2.16 120.51 118.91 1y7i n ALA 90 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1y7i n ALA 90 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1y7i n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y7i n GLU 92 N 0.61 0.00 -0.09 0.00 4.07 -0.41 -0.59 120.64 124.24 1y7i n GLU 92 Ca 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.96 1y7i n GLU 92 Cb 0.34 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.57 1y7i n GLU 92 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1y7i n LYS 93 N 0.00 0.68 -2.76 5.31 4.81 -0.92 -4.63 118.16 120.64 1y7i n LYS 93 Ca 0.00 0.12 -0.20 0.00 -0.87 0.00 0.00 58.31 57.36 1y7i n LYS 93 Cb 0.00 -1.58 -0.00 0.00 0.02 0.00 0.00 35.03 33.47 1y7i n LYS 93 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1y7i n TYR 94 N -3.05 2.25 0.07 5.64 4.01 0.25 -4.91 117.16 121.42 1y7i n TYR 94 Ca -0.35 -3.33 0.04 0.00 -0.16 0.00 0.00 57.90 54.09 1y7i n TYR 94 Cb 1.07 -0.32 0.45 0.00 -0.31 0.00 0.00 39.34 40.24 1y7i n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y7i h PRO 95 N 2.87 0.39 0.00 -0.72 0.13 -1.83 -2.52 132.00 130.31 1y7i h PRO 95 Ca 0.11 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1y7i h PRO 95 Cb 0.92 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1y7i h PRO 95 CO 0.67 0.31 -0.19 -0.56 -0.23 0.00 0.00 178.00 178.00 1y7i h GLN 96 N 0.39 0.00 -0.89 0.86 -0.00 -1.93 -2.94 115.11 110.60 1y7i h GLN 96 Ca 0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.56 1y7i h GLN 96 Cb 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 27.42 1y7i h GLN 96 CO -0.01 0.19 0.24 1.63 -0.00 0.00 0.00 178.83 180.87 1y7i n LYS 97 N -3.77 2.46 -3.83 0.06 5.02 -0.95 -4.86 118.16 112.29 1y7i n LYS 97 Ca -0.02 -1.90 -0.25 0.00 -2.02 0.00 0.00 58.31 54.13 1y7i n LYS 97 Cb 0.29 -1.83 -0.17 0.00 -0.02 0.00 0.00 35.03 33.30 1y7i n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1y7i s ILE 98 N -2.06 0.67 0.15 -0.18 1.01 -1.11 -2.08 121.20 117.59 1y7i s ILE 98 Ca 0.35 -0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.83 1y7i s ILE 98 Cb 0.28 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 1y7i s ILE 98 CO 0.08 0.31 1.47 1.88 0.00 0.00 0.00 174.94 178.68 1y7i h TYR 99 N 8.26 1.08 -1.18 3.97 -1.99 -1.51 -3.46 116.97 122.14 1y7i h TYR 99 Ca -0.24 -0.34 0.18 0.00 2.00 0.00 0.00 58.73 60.34 1y7i h TYR 99 Cb 1.13 -0.22 -0.29 0.00 2.00 0.00 0.00 36.73 39.34 1y7i h TYR 99 CO 0.48 1.15 0.83 0.00 -0.00 0.00 0.00 178.16 180.61 1y7i s ALA 100 N -4.32 -2.13 -0.27 3.88 0.00 -1.26 -4.58 121.76 113.09 1y7i s ALA 100 Ca -0.11 1.77 -0.10 0.00 0.00 0.00 0.00 51.96 53.52 1y7i s ALA 100 Cb 0.11 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1y7i s ALA 100 CO 0.88 -0.19 0.15 0.00 0.00 0.00 0.00 175.76 176.60 1y7i s ALA 101 N -0.46 3.45 -0.28 0.00 0.00 -0.32 -2.64 121.76 121.50 1y7i s ALA 101 Ca 0.06 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1y7i s ALA 101 Cb -0.03 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1y7i s ALA 101 CO -0.10 -0.48 0.17 0.08 0.00 0.00 0.00 175.76 175.44 1y7i s VAL 102 N 1.61 5.10 -0.52 0.00 1.01 0.73 -1.56 120.40 126.77 1y7i s VAL 102 Ca 0.07 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 1y7i s VAL 102 Cb -0.15 -3.45 0.11 0.00 0.00 0.00 0.00 36.38 32.89 1y7i s VAL 102 CO 0.08 0.24 0.48 -0.36 0.00 0.00 0.00 175.10 175.54 1y7i s PHE 103 N 1.73 3.24 -0.56 5.22 0.40 0.19 -0.60 117.98 127.59 1y7i s PHE 103 Ca 0.07 -1.16 -0.23 0.00 -0.60 0.00 0.00 56.93 55.01 1y7i s PHE 103 Cb -0.16 -3.61 0.05 0.00 0.51 0.00 0.00 43.02 39.80 1y7i s PHE 103 CO 0.09 -0.96 0.91 -1.17 0.70 0.00 0.00 175.22 174.80 1y7i s LEU 104 N 1.67 4.23 -1.60 -0.37 2.96 -0.49 -0.27 118.68 124.80 1y7i s LEU 104 Ca 0.04 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 1y7i s LEU 104 Cb -0.28 -2.73 0.06 0.00 0.50 0.00 0.00 46.19 43.75 1y7i s LEU 104 CO 0.04 -1.23 0.16 0.00 -1.32 0.00 0.00 176.35 174.00 1y7i n ALA 105 N 7.37 -1.77 -2.17 5.97 0.00 0.16 -2.19 120.51 127.89 1y7i n ALA 105 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1y7i n ALA 105 Cb 0.47 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.73 1y7i n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y7i s ALA 106 N -4.05 4.59 0.58 0.00 0.00 -1.26 -2.82 121.76 118.80 1y7i s ALA 106 Ca 0.22 -1.80 0.07 0.00 0.00 0.00 0.00 51.96 50.45 1y7i s ALA 106 Cb -0.13 -1.18 0.08 0.00 0.00 0.00 0.00 23.12 21.89 1y7i s ALA 106 CO 0.98 -0.68 0.80 -0.06 0.00 0.00 0.00 175.76 176.80 1y7i s PHE 107 N -2.69 1.69 0.23 0.00 2.99 0.48 -4.83 117.98 115.85 1y7i s PHE 107 Ca 0.51 -0.57 -0.11 0.00 0.00 0.00 0.00 56.93 56.76 1y7i s PHE 107 Cb -0.04 -2.40 -0.01 0.00 0.00 0.00 0.00 43.02 40.57 1y7i s PHE 107 CO 0.32 -1.14 0.41 -2.14 -0.00 0.00 0.00 175.22 172.67 1y7i s PRO 109 N -4.71 1.46 0.23 0.24 0.02 -1.26 -4.06 135.00 126.92 1y7i s PRO 109 Ca 0.62 -1.30 0.02 0.00 0.02 0.00 0.00 61.00 60.36 1y7i s PRO 109 Cb -0.06 0.43 -0.05 0.00 0.02 0.00 0.00 34.50 34.84 1y7i s PRO 109 CO 0.39 -0.59 0.04 0.16 -0.33 0.00 0.00 177.00 176.67 1y7i s ASP 110 N -3.03 1.46 -0.42 2.53 3.84 -1.26 -5.05 116.67 114.73 1y7i s ASP 110 Ca 0.24 -1.27 0.05 0.00 -0.00 0.00 0.00 52.55 51.57 1y7i s ASP 110 Cb 0.01 0.09 0.54 0.00 -1.38 0.00 0.00 42.92 42.18 1y7i s ASP 110 CO 0.09 -0.61 1.70 -1.54 -0.00 0.00 0.00 175.17 174.81 1y7i n SER 111 N -0.40 4.25 -0.05 2.11 3.41 -1.26 -4.53 113.62 117.16 1y7i n SER 111 Ca -0.04 -3.73 -0.10 0.00 -0.26 0.00 0.00 58.87 54.74 1y7i n SER 111 Cb 0.65 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1y7i n SER 111 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1y7i n VAL 112 N -1.05 0.89 -3.23 -3.33 0.31 -1.26 -4.34 118.33 106.32 1y7i n VAL 112 Ca 0.49 -0.03 -0.03 0.00 -0.01 0.00 0.00 64.34 64.77 1y7i n VAL 112 Cb 1.16 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1y7i n VAL 112 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1y7i n HIS 113 N -3.67 -2.27 -1.64 3.52 8.25 -1.26 -5.08 115.22 113.07 1y7i n HIS 113 Ca -0.19 -0.27 -0.36 0.00 -0.26 0.00 0.00 57.72 56.64 1y7i n HIS 113 Cb 0.53 -0.06 0.08 0.00 1.12 0.00 0.00 29.99 31.66 1y7i n HIS 113 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1y7i s ASN 114 N -1.43 4.47 0.28 0.41 2.47 -1.26 -4.80 114.94 115.08 1y7i s ASN 114 Ca 0.06 2.50 0.21 0.00 0.42 0.00 0.00 52.86 56.05 1y7i s ASN 114 Cb -0.00 -2.61 1.03 0.00 -1.45 0.00 0.00 41.25 38.22 1y7i s ASN 114 CO 0.04 -2.09 1.64 -1.20 -3.72 0.00 0.00 177.10 171.77 1y7i n SER 115 N -2.21 0.55 -0.73 -4.21 7.64 -0.92 -1.28 113.62 112.46 1y7i n SER 115 Ca 0.15 0.71 0.13 0.00 1.01 0.00 0.00 58.87 60.86 1y7i n SER 115 Cb 0.49 -0.80 0.32 0.00 -1.01 0.00 0.00 64.21 63.21 1y7i n SER 115 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1y7i n SER 116 N -2.19 2.26 -0.25 6.43 3.41 -1.14 -4.55 113.62 117.59 1y7i n SER 116 Ca -0.00 -1.76 -0.02 0.00 -0.26 0.00 0.00 58.87 56.83 1y7i n SER 116 Cb 0.10 -0.05 0.05 0.00 -0.26 0.00 0.00 64.21 64.05 1y7i n SER 116 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1y7i h PHE 117 N 3.37 -0.74 -0.36 7.33 3.57 -1.52 -0.44 116.94 128.15 1y7i h PHE 117 Ca 0.00 0.08 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 1y7i h PHE 117 Cb 0.72 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1y7i h PHE 117 CO 0.05 -0.37 -0.37 0.28 -2.23 0.00 0.00 178.31 175.68 1y7i h VAL 118 N -0.08 1.28 -0.41 1.41 2.07 -1.83 -2.68 116.25 116.01 1y7i h VAL 118 Ca 0.30 -1.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.17 1y7i h VAL 118 Cb 0.56 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1y7i h VAL 118 CO -0.77 0.51 -0.20 -0.07 0.02 0.00 0.00 177.57 177.06 1y7i h LEU 119 N 0.69 0.82 -0.49 2.57 3.38 -1.74 -2.22 115.31 118.32 1y7i h LEU 119 Ca 0.06 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1y7i h LEU 119 Cb 0.93 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1y7i h LEU 119 CO 0.09 1.00 -0.01 -0.33 0.09 0.00 0.00 178.44 179.27 1y7i h GLU 120 N 0.71 0.87 -0.44 1.13 5.08 -1.04 -1.34 114.58 119.55 1y7i h GLU 120 Ca 0.10 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1y7i h GLU 120 Cb 0.71 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1y7i h GLU 120 CO 0.05 0.91 0.25 1.96 -1.00 0.00 0.00 179.01 181.18 1y7i h GLN 121 N 0.73 0.61 -0.23 2.33 1.08 -1.37 -1.57 115.11 116.68 1y7i h GLN 121 Ca 0.14 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1y7i h GLN 121 Cb 0.53 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1y7i h GLN 121 CO 0.03 0.47 0.13 -0.92 -0.95 0.00 0.00 178.83 177.58 1y7i h TYR 122 N 0.58 0.24 -0.60 2.96 3.20 -1.23 -2.04 116.97 120.07 1y7i h TYR 122 Ca 0.16 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1y7i h TYR 122 Cb 0.03 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1y7i h TYR 122 CO -0.03 0.14 0.30 -0.91 -1.64 0.00 0.00 178.16 176.03 1y7i h ASN 123 N 0.26 0.78 -0.95 -2.11 2.35 -1.06 0.76 115.58 115.62 1y7i h ASN 123 Ca 0.09 -0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1y7i h ASN 123 Cb 0.00 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.12 1y7i h ASN 123 CO -0.05 0.68 0.62 -0.33 -1.65 0.00 0.00 177.43 176.70 1y7i h GLU 124 N 0.82 1.15 0.00 0.81 5.08 -1.08 -1.66 114.58 119.70 1y7i h GLU 124 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1y7i h GLU 124 Cb 0.10 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1y7i h GLU 124 CO -0.03 0.76 0.00 0.00 -1.00 0.00 0.00 179.01 178.74 1y7i h ARG 125 N 1.18 0.00 -4.78 2.33 3.08 -0.86 -3.43 114.38 111.90 1y7i h ARG 125 Ca 0.38 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.73 1y7i h ARG 125 Cb 0.02 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 29.88 1y7i h ARG 125 CO -0.12 0.00 -0.11 0.99 -1.07 0.00 0.00 179.97 179.66 1y7i s THR 126 N -3.23 5.02 0.53 2.04 2.01 0.21 -5.05 115.64 117.17 1y7i s THR 126 Ca 0.07 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 1y7i s THR 126 Cb 0.07 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1y7i s THR 126 CO 0.64 -0.64 1.22 -2.16 -0.69 0.00 0.00 174.62 172.98 1y7i s PRO 127 N 2.26 3.32 0.35 4.92 0.04 -1.26 -4.88 135.00 139.75 1y7i s PRO 127 Ca 0.12 1.87 0.13 0.00 0.04 0.00 0.00 61.00 63.15 1y7i s PRO 127 Cb -0.20 -2.17 0.96 0.00 0.04 0.00 0.00 34.50 33.13 1y7i s PRO 127 CO 0.11 -0.94 1.75 0.00 0.04 0.00 0.00 177.00 177.96 1y7i h ALA 128 N 1.44 1.95 -0.29 8.56 0.00 -1.96 -1.59 119.26 127.37 1y7i h ALA 128 Ca -0.50 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1y7i h ALA 128 Cb 1.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1y7i h ALA 128 CO 0.57 -0.39 0.07 1.49 0.00 0.00 0.00 179.25 180.99 1y7i h GLU 129 N 0.52 0.41 -0.01 0.00 4.22 -1.95 -2.55 114.58 115.24 1y7i h GLU 129 Ca 0.62 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 60.01 1y7i h GLU 129 Cb 1.31 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1y7i h GLU 129 CO -0.40 0.38 0.01 -0.91 -2.18 0.00 0.00 179.01 175.91 1y7i h ASN 130 N 0.41 0.00 0.48 1.04 4.21 -1.65 -0.23 115.58 119.84 1y7i h ASN 130 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1y7i h ASN 130 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1y7i h ASN 130 CO -0.00 0.00 0.00 0.79 -1.29 0.00 0.00 177.43 176.93 1y7i n TRP 131 N -3.62 0.00 0.00 1.19 7.02 -0.96 -4.94 117.44 116.13 1y7i n TRP 131 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1y7i n TRP 131 Cb 0.09 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 28.70 1y7i n TRP 131 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1y7i n LEU 132 N -1.28 0.00 -0.92 -0.99 4.77 -0.10 -0.88 117.00 117.59 1y7i n LEU 132 Ca 0.12 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.13 1y7i n LEU 132 Cb 0.20 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.45 1y7i n LEU 132 CO 0.20 0.00 0.53 -0.90 -1.33 0.00 0.00 177.39 175.88 1y7i n ASP 133 N 3.72 2.54 -4.77 -1.43 3.85 -1.26 -4.92 116.55 114.28 1y7i n ASP 133 Ca 0.00 -2.27 -0.41 0.00 -0.71 0.00 0.00 54.79 51.39 1y7i n ASP 133 Cb 0.00 -0.48 -0.01 0.00 -1.35 0.00 0.00 41.12 39.28 1y7i n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1y7i s THR 134 N -1.67 2.15 -0.27 2.12 2.01 -0.06 -3.86 115.64 116.06 1y7i s THR 134 Ca 0.21 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.27 1y7i s THR 134 Cb 0.15 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1y7i s THR 134 CO 0.08 0.03 0.12 -1.58 -0.69 0.00 0.00 174.62 172.58 1y7i s GLN 135 N -1.46 3.72 -0.20 4.92 0.74 0.54 -4.89 119.66 123.03 1y7i s GLN 135 Ca 0.56 -0.45 -0.04 0.00 0.05 0.00 0.00 55.36 55.48 1y7i s GLN 135 Cb -0.46 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.17 1y7i s GLN 135 CO 0.56 -0.21 -0.02 -0.06 -0.55 0.00 0.00 175.29 175.02 1y7i s PHE 136 N 1.66 3.01 -0.01 1.67 0.08 -1.26 -0.42 117.98 122.71 1y7i s PHE 136 Ca 0.06 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.54 1y7i s PHE 136 Cb -0.16 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 1y7i s PHE 136 CO 0.06 -0.30 0.03 -0.51 -0.10 0.00 0.00 175.22 174.40 1y7i s LEU 137 N 1.06 1.87 0.38 -0.37 1.43 -0.74 -4.90 118.68 117.40 1y7i s LEU 137 Ca 0.02 0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 1y7i s LEU 137 Cb -0.14 0.09 -0.10 0.00 0.03 0.00 0.00 46.19 46.06 1y7i s LEU 137 CO 0.01 -0.01 0.88 -2.16 0.23 0.00 0.00 176.35 175.30 1y7i s PRO 138 N 0.05 4.22 0.00 1.29 0.04 -1.26 0.18 135.00 139.52 1y7i s PRO 138 Ca -0.00 1.02 0.06 0.00 0.04 0.00 0.00 61.00 62.11 1y7i s PRO 138 Cb -0.01 -2.36 0.10 0.00 0.04 0.00 0.00 34.50 32.27 1y7i s PRO 138 CO -0.00 0.08 0.95 2.48 0.04 0.00 0.00 177.00 180.55 1y7i n TYR 139 N -0.35 0.00 -3.10 0.56 4.11 0.13 -4.88 117.16 113.64 1y7i n TYR 139 Ca 0.05 -0.15 0.00 0.00 -0.00 0.00 0.00 57.90 57.80 1y7i n TYR 139 Cb 0.53 0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 1y7i n TYR 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1y7i n GLY 140 N 0.11 7.20 3.98 -7.48 0.00 -1.24 -4.85 105.19 102.92 1y7i n GLY 140 Ca -0.01 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 1y7i n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y7i s SER 141 N 0.68 6.12 0.46 1.61 1.04 -0.82 -4.80 113.70 117.98 1y7i s SER 141 Ca 0.00 -0.08 0.13 0.00 0.48 0.00 0.00 55.95 56.48 1y7i s SER 141 Cb 0.00 -1.49 1.05 0.00 0.10 0.00 0.00 66.02 65.67 1y7i s SER 141 CO 0.00 -0.28 2.05 1.55 0.98 0.00 0.00 173.24 177.54 1y7i h PRO 142 N 1.01 0.12 0.00 4.02 0.13 -2.01 0.99 132.00 136.25 1y7i h PRO 142 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1y7i h PRO 142 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1y7i h PRO 142 CO 0.56 0.17 -0.75 1.05 -0.23 0.00 0.00 178.00 178.81 1y7i h GLU 143 N 0.12 0.00 -2.02 0.86 4.11 -2.07 -3.38 114.58 112.20 1y7i h GLU 143 Ca 0.03 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.91 1y7i h GLU 143 Cb 0.15 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.01 1y7i h GLU 143 CO 0.01 0.00 -1.08 0.39 0.07 0.00 0.00 179.01 178.40 1y7i n GLU 144 N -2.48 0.92 -1.89 1.06 1.02 -0.71 -5.13 120.64 113.42 1y7i n GLU 144 Ca 0.02 -3.37 -0.37 0.00 -0.02 0.00 0.00 57.16 53.41 1y7i n GLU 144 Cb 0.50 -1.38 0.04 0.00 -0.02 0.00 0.00 31.44 30.58 1y7i n GLU 144 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1y7i s PRO 145 N -1.51 3.02 -0.12 3.49 0.04 0.26 -1.95 135.00 138.24 1y7i s PRO 145 Ca 0.36 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 1y7i s PRO 145 Cb 0.20 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1y7i s PRO 145 CO -0.10 -1.22 0.26 -0.51 0.04 0.00 0.00 177.00 175.47 1y7i s LEU 146 N -3.81 -0.09 -0.08 -3.56 1.43 -1.26 -4.87 118.68 106.43 1y7i s LEU 146 Ca 0.75 0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 54.40 1y7i s LEU 146 Cb -0.36 0.71 -0.04 0.00 0.03 0.00 0.00 46.19 46.54 1y7i s LEU 146 CO 0.40 -0.22 0.05 -0.89 0.23 0.00 0.00 176.35 175.92 1y7i s THR 147 N 2.07 4.67 0.00 5.49 2.01 -1.26 0.22 115.64 128.84 1y7i s THR 147 Ca -0.02 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1y7i s THR 147 Cb -0.11 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.38 1y7i s THR 147 CO -0.09 0.56 0.00 -0.24 -0.69 0.00 0.00 174.62 174.17 1y7i n SER 148 N 1.93 0.35 0.00 3.53 2.88 0.48 -4.57 113.62 118.22 1y7i n SER 148 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1y7i n SER 148 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1y7i n SER 148 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1y7i n PHE 150 N 0.00 0.00 -1.77 0.66 7.35 0.44 -1.80 117.46 122.34 1y7i n PHE 150 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1y7i n PHE 150 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 1y7i n PHE 150 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1y7i s PHE 151 N 0.00 2.81 0.64 -5.13 0.08 -1.26 -0.34 117.98 114.79 1y7i s PHE 151 Ca 0.00 0.64 0.01 0.00 0.12 0.00 0.00 56.93 57.70 1y7i s PHE 151 Cb 0.00 -4.08 0.09 0.00 -0.57 0.00 0.00 43.02 38.45 1y7i s PHE 151 CO 0.00 -3.80 0.89 0.20 -0.10 0.00 0.00 175.22 172.41 1y7i s GLY 152 N 0.72 1.78 0.30 4.36 0.00 -1.25 -4.87 107.32 108.37 1y7i s GLY 152 Ca 0.67 -1.58 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1y7i s GLY 152 CO 0.42 -1.13 1.89 -0.56 0.00 0.00 0.00 173.10 173.72 1y7i h PRO 153 N -0.25 0.87 -0.22 2.90 0.13 -1.95 -2.04 132.00 131.44 1y7i h PRO 153 Ca -0.38 -0.12 -0.17 0.00 -0.87 0.00 0.00 66.00 64.45 1y7i h PRO 153 Cb 1.28 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1y7i h PRO 153 CO 0.45 0.70 -0.51 0.87 -0.23 0.00 0.00 178.00 179.28 1y7i h LYS 154 N 0.86 0.74 -0.65 0.86 1.57 -1.95 -1.39 116.57 116.61 1y7i h LYS 154 Ca 0.21 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1y7i h LYS 154 Cb 0.14 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1y7i h LYS 154 CO -0.02 1.12 0.35 0.35 -0.57 0.00 0.00 179.45 180.68 1y7i h PHE 155 N 0.47 0.90 0.11 -1.35 3.04 -1.82 -1.22 116.94 117.08 1y7i h PHE 155 Ca -0.00 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1y7i h PHE 155 Cb 1.13 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1y7i h PHE 155 CO 0.08 0.65 -0.06 -0.07 -2.02 0.00 0.00 178.31 176.90 1y7i h LEU 156 N 0.89 -0.13 -0.50 0.59 3.38 -1.30 0.21 115.31 118.45 1y7i h LEU 156 Ca 0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1y7i h LEU 156 Cb 0.06 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1y7i h LEU 156 CO -0.04 0.07 0.30 0.00 0.09 0.00 0.00 178.44 178.87 1y7i h ALA 157 N 0.53 0.64 0.00 1.53 0.00 -1.10 0.22 119.26 121.08 1y7i h ALA 157 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1y7i h ALA 157 Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1y7i h ALA 157 CO 0.03 0.12 -1.26 0.72 0.00 0.00 0.00 179.25 178.86 1y7i n HIS 158 N -4.70 0.00 -0.07 0.00 8.25 -0.47 -1.73 115.22 116.50 1y7i n HIS 158 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 1y7i n HIS 158 Cb 0.05 -0.15 -0.09 0.00 1.12 0.00 0.00 29.99 30.92 1y7i n HIS 158 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1y7i n LYS 159 N -1.71 1.34 -0.03 -0.41 4.01 0.72 -4.65 118.16 117.43 1y7i n LYS 159 Ca 0.01 0.03 -0.03 0.00 -0.51 0.00 0.00 58.31 57.82 1y7i n LYS 159 Cb 0.38 -1.33 -0.05 0.00 -0.51 0.00 0.00 35.03 33.53 1y7i n LYS 159 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1y7i n LEU 160 N -2.67 0.03 -0.16 -0.35 4.77 -0.88 -0.92 117.00 116.83 1y7i n LEU 160 Ca -0.24 -0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.77 1y7i n LEU 160 Cb 0.88 0.14 0.06 0.00 -2.33 0.00 0.00 43.42 42.17 1y7i n LEU 160 CO 0.23 0.15 0.55 -1.22 -1.33 0.00 0.00 177.39 175.77 1y7i n TYR 161 N -2.22 0.13 0.21 -1.77 4.02 0.71 -3.48 117.16 114.77 1y7i n TYR 161 Ca -0.10 -0.61 0.14 0.00 -0.01 0.00 0.00 57.90 57.32 1y7i n TYR 161 Cb 0.69 -0.08 0.54 0.00 -0.02 0.00 0.00 39.34 40.47 1y7i n TYR 161 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1y7i h GLN 162 N 0.43 0.00 -0.25 -0.72 -0.00 -1.52 0.68 115.11 113.72 1y7i h GLN 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1y7i h GLN 162 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.16 1y7i h GLN 162 CO 0.01 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.12 1y7i n LEU 163 N -3.00 2.64 -5.00 0.06 4.77 -1.26 -5.01 117.00 110.20 1y7i n LEU 163 Ca 0.04 -1.87 -0.20 0.00 -0.03 0.00 0.00 56.01 53.94 1y7i n LEU 163 Cb 0.74 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.72 1y7i n LEU 163 CO 0.14 0.65 0.37 0.00 -1.33 0.00 0.00 177.39 177.21 1y7i s SER 165 N -4.56 6.29 0.53 0.00 1.04 -1.26 -4.94 113.70 110.79 1y7i s SER 165 Ca 0.61 1.19 0.26 0.00 0.48 0.00 0.00 55.95 58.48 1y7i s SER 165 Cb -0.08 -2.36 1.49 0.00 0.10 0.00 0.00 66.02 65.18 1y7i s SER 165 CO 0.39 -0.68 2.12 1.55 0.98 0.00 0.00 173.24 177.60 1y7i h PRO 166 N 0.12 0.00 -0.15 4.02 0.13 -1.99 -1.79 132.00 132.34 1y7i h PRO 166 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1y7i h PRO 166 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1y7i h PRO 166 CO 0.62 0.09 -0.04 0.93 -0.23 0.00 0.00 178.00 179.37 1y7i h GLU 167 N 0.00 0.29 -0.71 0.86 3.07 -1.99 -1.14 114.58 114.96 1y7i h GLU 167 Ca -0.00 -0.11 0.05 0.00 -0.50 0.00 0.00 59.36 58.79 1y7i h GLU 167 Cb 0.22 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.06 1y7i h GLU 167 CO 0.01 0.57 0.43 -0.44 -1.40 0.00 0.00 179.01 178.18 1y7i h ASP 168 N -0.01 0.67 -0.46 1.42 3.45 -1.76 0.35 116.42 120.08 1y7i h ASP 168 Ca 0.04 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 1y7i h ASP 168 Cb 0.47 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 1y7i h ASP 168 CO 0.02 0.45 0.19 0.25 -1.57 0.00 0.00 179.24 178.57 1y7i h LEU 169 N 0.81 0.64 -1.08 1.55 5.85 -1.24 -1.08 115.31 120.76 1y7i h LEU 169 Ca 0.30 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1y7i h LEU 169 Cb 0.11 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1y7i h LEU 169 CO -0.15 0.63 -0.23 0.00 -0.34 0.00 0.00 178.44 178.35 1y7i h ALA 170 N 1.03 1.23 -0.19 1.25 0.00 -0.65 -0.98 119.26 120.95 1y7i h ALA 170 Ca 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1y7i h ALA 170 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1y7i h ALA 170 CO -0.01 0.51 0.01 1.25 0.00 0.00 0.00 179.25 181.00 1y7i h LEU 171 N 0.34 0.32 -0.42 0.00 5.85 -0.53 -2.55 115.31 118.32 1y7i h LEU 171 Ca 0.06 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1y7i h LEU 171 Cb 0.59 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1y7i h LEU 171 CO 0.04 0.53 0.27 0.00 -0.34 0.00 0.00 178.44 178.94 1y7i h ALA 172 N 0.80 0.54 0.00 1.25 0.00 -0.93 -1.70 119.26 119.22 1y7i h ALA 172 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1y7i h ALA 172 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y7i h ALA 172 CO 0.01 0.01 -0.04 0.77 0.00 0.00 0.00 179.25 179.99 1y7i h SER 173 N 0.56 0.00 0.54 0.00 0.02 -1.15 0.14 113.55 113.66 1y7i h SER 173 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1y7i h SER 173 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1y7i h SER 173 CO -0.03 0.04 -0.70 -0.24 -1.14 0.00 0.00 176.83 174.76 1y7i n SER 174 N -3.52 0.61 0.00 3.07 2.88 -0.71 -4.47 113.62 111.47 1y7i n SER 174 Ca -0.02 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1y7i n SER 174 Cb 0.15 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1y7i n SER 174 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1y7i n LEU 175 N -1.77 0.00 -4.76 2.46 4.77 -0.54 -5.06 117.00 112.10 1y7i n LEU 175 Ca 0.04 -0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.49 1y7i n LEU 175 Cb 0.39 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1y7i n LEU 175 CO 0.37 0.00 1.04 0.68 -1.33 0.00 0.00 177.39 178.16 1y7i s VAL 176 N -1.58 2.04 0.08 4.08 -7.23 0.37 -4.77 120.40 113.39 1y7i s VAL 176 Ca 0.00 0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.22 1y7i s VAL 176 Cb 0.00 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 1y7i s VAL 176 CO 0.00 0.00 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.59 1y7i s ARG 177 N -2.63 0.72 0.46 4.82 0.52 -0.97 -5.04 118.95 116.84 1y7i s ARG 177 Ca 0.65 -1.10 -0.25 0.00 -0.52 0.00 0.00 55.73 54.52 1y7i s ARG 177 Cb -0.43 -0.27 -0.08 0.00 0.52 0.00 0.00 34.95 34.69 1y7i s ARG 177 CO 0.54 0.02 1.38 -0.35 0.02 0.00 0.00 175.30 176.90 1y7i n PRO 178 N 0.59 2.06 0.00 3.54 -0.04 -1.26 -3.93 135.00 135.96 1y7i n PRO 178 Ca -0.17 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1y7i n PRO 178 Cb 0.58 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1y7i n PRO 178 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1y7i n SER 179 N -0.25 0.42 -3.49 3.54 2.88 -1.26 -4.79 113.62 110.67 1y7i n SER 179 Ca 0.07 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.49 1y7i n SER 179 Cb 0.42 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.84 1y7i n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1y7i s SER 180 N 1.00 -0.50 0.00 -3.46 0.15 -1.26 -4.52 113.70 105.11 1y7i s SER 180 Ca 0.00 0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.09 1y7i s SER 180 Cb 0.00 0.48 0.14 0.00 -1.71 0.00 0.00 66.02 64.93 1y7i s SER 180 CO 0.00 -0.70 1.17 0.18 1.20 0.00 0.00 173.24 175.08 1y7i n LEU 181 N 0.08 1.14 -2.04 3.45 4.77 -1.26 -5.02 117.00 118.12 1y7i n LEU 181 Ca -0.14 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1y7i n LEU 181 Cb 0.61 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1y7i n LEU 181 CO 0.15 0.24 -0.24 0.49 -1.33 0.00 0.00 177.39 176.70 1y7i n PHE 182 N -1.01 -2.44 0.00 -1.77 3.72 -1.26 -4.90 117.46 109.80 1y7i n PHE 182 Ca 0.07 1.46 0.00 0.00 -0.05 0.00 0.00 57.45 58.93 1y7i n PHE 182 Cb 0.37 -2.28 0.00 0.00 -0.94 0.00 0.00 39.48 36.63 1y7i n PHE 182 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1y7i n GLU 184 N 1.86 0.00 -0.01 -1.08 4.71 -1.26 -1.59 120.64 123.27 1y7i n GLU 184 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 1y7i n GLU 184 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 1y7i n GLU 184 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1y7i h ASP 185 N 0.00 -0.62 -0.12 1.62 3.58 -1.94 -2.36 116.42 116.58 1y7i h ASP 185 Ca 0.00 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 1y7i h ASP 185 Cb 0.00 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1y7i h ASP 185 CO 0.00 -0.25 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.02 1y7i h LEU 186 N -0.24 0.32 -6.48 2.28 3.38 -1.64 -3.29 115.31 109.64 1y7i h LEU 186 Ca 0.11 -0.05 -0.77 0.00 0.09 0.00 0.00 57.88 57.25 1y7i h LEU 186 Cb 0.40 -0.08 -0.19 0.00 0.09 0.00 0.00 40.66 40.87 1y7i h LEU 186 CO -0.29 0.40 1.64 -1.54 0.09 0.00 0.00 178.44 178.74 1y7i n SER 187 N -4.33 5.96 0.00 -0.43 3.41 -0.89 -2.90 113.62 114.44 1y7i n SER 187 Ca 0.00 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 1y7i n SER 187 Cb 0.22 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1y7i n SER 187 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1y7i n LYS 188 N 2.62 0.00 -3.81 4.33 2.85 -1.24 -4.87 118.16 118.04 1y7i n LYS 188 Ca 0.38 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.58 1y7i n LYS 188 Cb 0.33 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.70 1y7i n LYS 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1y7i s ALA 189 N 0.00 -1.36 -0.78 0.58 0.00 -1.25 -5.07 121.76 113.88 1y7i s ALA 189 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1y7i s ALA 189 Cb 0.00 0.79 0.26 0.00 0.00 0.00 0.00 23.12 24.16 1y7i s ALA 189 CO 0.00 -1.03 0.91 1.17 0.00 0.00 0.00 175.76 176.81 1y7i n LYS 190 N -0.46 2.96 0.27 0.00 4.81 -1.26 -2.15 118.16 122.33 1y7i n LYS 190 Ca -0.05 -4.62 0.16 0.00 -0.87 0.00 0.00 58.31 52.93 1y7i n LYS 190 Cb 0.60 -2.34 0.84 0.00 0.02 0.00 0.00 35.03 34.15 1y7i n LYS 190 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1y7i h TYR 191 N 4.75 0.00 -3.31 5.64 0.05 -1.93 -3.41 116.97 118.76 1y7i h TYR 191 Ca 0.19 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.33 1y7i h TYR 191 Cb 0.67 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.20 1y7i h TYR 191 CO 0.79 0.00 -0.67 -0.06 -1.05 0.00 0.00 178.16 177.17 1y7i s PHE 192 N -3.86 3.02 0.13 4.88 0.08 -1.26 -4.95 117.98 116.02 1y7i s PHE 192 Ca -0.03 -0.28 0.11 0.00 0.12 0.00 0.00 56.93 56.84 1y7i s PHE 192 Cb 0.09 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1y7i s PHE 192 CO 0.28 -0.01 -0.27 0.95 -0.10 0.00 0.00 175.22 176.07 1y7i s THR 193 N 0.29 2.25 0.27 0.64 -4.23 -1.26 -4.46 115.64 109.14 1y7i s THR 193 Ca -0.04 -1.76 0.35 0.00 -1.18 0.00 0.00 61.69 59.07 1y7i s THR 193 Cb -0.14 -1.99 0.39 0.00 1.34 0.00 0.00 72.50 72.10 1y7i s THR 193 CO 0.03 0.08 2.08 -0.78 -0.54 0.00 0.00 174.62 175.49 1y7i h ASP 194 N 3.86 0.00 0.04 3.99 3.58 -1.95 -0.48 116.42 125.47 1y7i h ASP 194 Ca -0.51 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 1y7i h ASP 194 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1y7i h ASP 194 CO 0.39 0.02 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.68 1y7i h GLU 195 N 0.00 -0.05 0.00 0.28 4.57 -1.95 -3.13 114.58 114.30 1y7i h GLU 195 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1y7i h GLU 195 Cb 0.38 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1y7i h GLU 195 CO 0.00 0.34 -0.09 0.54 -1.18 0.00 0.00 179.01 178.62 1y7i n ARG 196 N -4.93 0.05 -0.09 1.92 1.74 -1.14 -4.08 116.66 110.13 1y7i n ARG 196 Ca -0.08 0.11 -0.06 0.00 -0.77 0.00 0.00 57.85 57.05 1y7i n ARG 196 Cb 0.22 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1y7i n ARG 196 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1y7i h PHE 197 N -0.11 -0.38 0.00 -1.55 3.57 -1.37 -1.68 116.94 115.42 1y7i h PHE 197 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1y7i h PHE 197 Cb 0.09 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1y7i h PHE 197 CO -0.04 -0.23 0.00 0.41 -2.23 0.00 0.00 178.31 176.22 1y7i n GLY 198 N -1.34 -1.05 0.12 2.40 0.00 -0.65 -2.16 105.19 102.51 1y7i n GLY 198 Ca 0.01 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1y7i n GLY 198 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y7i h SER 199 N 0.00 0.00 -3.40 1.61 4.64 -1.25 -3.45 113.55 111.70 1y7i h SER 199 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1y7i h SER 199 Cb 0.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 1y7i h SER 199 CO 0.00 0.00 0.16 -0.69 -0.87 0.00 0.00 176.83 175.43 1y7i s VAL 200 N -3.12 4.86 0.23 0.95 1.01 -0.92 -5.01 120.40 118.40 1y7i s VAL 200 Ca 0.10 1.61 -0.31 0.00 0.00 0.00 0.00 61.98 63.38 1y7i s VAL 200 Cb 0.11 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1y7i s VAL 200 CO 0.60 0.30 1.51 -0.54 0.00 0.00 0.00 175.10 176.98 1y7i s LYS 201 N 0.35 4.23 -0.14 2.72 3.01 -1.26 -4.87 119.74 123.78 1y7i s LYS 201 Ca 0.40 2.37 -0.03 0.00 -1.01 0.00 0.00 55.97 57.69 1y7i s LYS 201 Cb -0.20 -3.11 -0.03 0.00 -1.01 0.00 0.00 37.83 33.49 1y7i s LYS 201 CO 0.22 -0.52 -0.04 1.03 0.51 0.00 0.00 175.35 176.55 1y7i s ARG 202 N 0.11 3.48 -0.12 1.68 0.52 -1.26 -1.17 118.95 122.20 1y7i s ARG 202 Ca 0.64 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 55.34 1y7i s ARG 202 Cb -0.43 -2.85 0.02 0.00 0.52 0.00 0.00 34.95 32.20 1y7i s ARG 202 CO 0.40 0.34 -0.12 0.08 0.02 0.00 0.00 175.30 176.02 1y7i s VAL 203 N 0.09 1.33 -0.18 3.52 1.01 -0.60 0.05 120.40 125.62 1y7i s VAL 203 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1y7i s VAL 203 Cb -0.14 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1y7i s VAL 203 CO 0.03 0.41 -0.03 -0.47 0.00 0.00 0.00 175.10 175.05 1y7i s TYR 204 N 1.30 3.02 -0.34 5.22 6.14 -0.66 0.54 117.35 132.57 1y7i s TYR 204 Ca -0.01 -0.41 -0.10 0.00 0.64 0.00 0.00 57.07 57.20 1y7i s TYR 204 Cb -0.14 -2.01 0.01 0.00 0.42 0.00 0.00 41.96 40.24 1y7i s TYR 204 CO -0.05 -0.15 0.16 0.42 0.64 0.00 0.00 175.55 176.57 1y7i s ILE 205 N 0.68 4.46 0.01 3.14 1.01 0.63 -0.13 121.20 130.99 1y7i s ILE 205 Ca -0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 1y7i s ILE 205 Cb -0.14 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1y7i s ILE 205 CO 0.02 -0.07 0.79 -0.69 0.00 0.00 0.00 174.94 174.99 1y7i s VAL 206 N 1.56 4.84 -0.41 2.92 1.01 0.24 -0.66 120.40 129.89 1y7i s VAL 206 Ca 0.03 1.67 -0.07 0.00 0.00 0.00 0.00 61.98 63.61 1y7i s VAL 206 Cb -0.18 -4.14 0.09 0.00 0.00 0.00 0.00 36.38 32.15 1y7i s VAL 206 CO 0.06 0.29 0.24 0.00 0.00 0.00 0.00 175.10 175.68 1y7i h THR 208 N 6.18 0.80 -0.52 0.00 1.35 -1.61 -2.16 112.91 116.95 1y7i h THR 208 Ca -0.20 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1y7i h THR 208 Cb 1.07 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1y7i h THR 208 CO 0.74 0.09 0.00 -0.62 -0.25 0.00 0.00 175.52 175.48 1y7i n GLU 209 N -4.50 2.63 -1.80 4.72 -0.58 -0.21 -4.60 120.64 116.30 1y7i n GLU 209 Ca 0.16 -2.04 -0.42 0.00 -0.42 0.00 0.00 57.16 54.44 1y7i n GLU 209 Cb 0.53 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.80 1y7i n GLU 209 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1y7i s ASP 210 N -0.90 6.49 -0.01 1.62 -1.08 -0.81 -4.46 116.67 117.51 1y7i s ASP 210 Ca 0.37 2.67 0.15 0.00 -0.52 0.00 0.00 52.55 55.23 1y7i s ASP 210 Cb 0.22 -2.57 -0.20 0.00 -1.46 0.00 0.00 42.92 38.90 1y7i s ASP 210 CO 0.22 -0.95 0.46 0.29 0.52 0.00 0.00 175.17 175.71 1y7i n LYS 211 N 5.35 1.21 -0.02 4.34 5.02 -1.23 -3.86 118.16 128.98 1y7i n LYS 211 Ca 0.17 -0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 1y7i n LYS 211 Cb 0.39 -1.29 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 1y7i n LYS 211 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1y7i h GLY 212 N 3.09 -0.08 -7.50 0.72 0.00 -1.36 -3.39 103.07 94.54 1y7i h GLY 212 Ca 0.00 0.03 -0.65 0.00 0.00 0.00 0.00 47.33 46.71 1y7i h GLY 212 CO 0.00 -0.03 -0.66 -0.42 0.00 0.00 0.00 176.54 175.43 1y7i s ILE 213 N -2.81 2.49 0.45 2.60 1.01 -1.26 -5.09 121.20 118.58 1y7i s ILE 213 Ca -0.14 -2.93 -0.23 0.00 0.00 0.00 0.00 60.65 57.35 1y7i s ILE 213 Cb -0.01 -2.77 -0.10 0.00 0.01 0.00 0.00 42.46 39.60 1y7i s ILE 213 CO 0.51 -0.72 1.02 -0.81 0.00 0.00 0.00 174.94 174.94 1y7i n PRO 214 N 3.57 1.33 -0.18 2.79 -0.04 -1.25 -4.70 135.00 136.51 1y7i n PRO 214 Ca 0.05 0.48 0.19 0.00 -0.04 0.00 0.00 63.50 64.18 1y7i n PRO 214 Cb 0.36 -2.08 0.56 0.00 -0.04 0.00 0.00 33.50 32.29 1y7i n PRO 214 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1y7i h GLU 215 N 1.43 0.30 -0.47 0.54 4.81 -1.80 0.10 114.58 119.48 1y7i h GLU 215 Ca -0.45 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.82 1y7i h GLU 215 Cb 1.34 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1y7i h GLU 215 CO 0.56 0.20 0.18 0.93 -0.73 0.00 0.00 179.01 180.15 1y7i h GLU 216 N 0.31 0.35 -0.15 1.92 5.08 -1.94 0.18 114.58 120.33 1y7i h GLU 216 Ca 0.41 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.57 1y7i h GLU 216 Cb 1.12 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1y7i h GLU 216 CO -0.12 0.23 -0.64 0.35 -1.00 0.00 0.00 179.01 177.83 1y7i h PHE 217 N 0.36 0.74 -0.54 4.33 3.57 -1.18 -1.40 116.94 122.81 1y7i h PHE 217 Ca 0.22 -0.29 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1y7i h PHE 217 Cb 0.21 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1y7i h PHE 217 CO -0.15 1.05 0.30 1.96 -2.23 0.00 0.00 178.31 179.24 1y7i h GLN 218 N 0.42 0.76 -0.63 1.11 4.20 -0.63 -1.57 115.11 118.77 1y7i h GLN 218 Ca -0.01 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1y7i h GLN 218 Cb 1.21 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1y7i h GLN 218 CO 0.12 0.59 0.12 0.00 -0.67 0.00 0.00 178.83 178.99 1y7i h ARG 219 N 0.73 1.00 -0.72 1.46 2.47 -0.56 -2.34 114.38 116.42 1y7i h ARG 219 Ca 0.19 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1y7i h ARG 219 Cb 0.05 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 1y7i h ARG 219 CO -0.03 0.91 0.46 2.35 0.56 0.00 0.00 179.97 184.21 1y7i h TRP 220 N 0.95 0.92 -0.60 3.04 7.01 -0.70 0.90 115.95 127.47 1y7i h TRP 220 Ca 0.20 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.13 1y7i h TRP 220 Cb 0.38 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 1y7i h TRP 220 CO 0.03 0.59 0.07 1.96 -2.79 0.00 0.00 178.44 178.30 1y7i h GLN 221 N 0.98 1.02 0.02 2.65 4.20 -0.79 0.61 115.11 123.79 1y7i h GLN 221 Ca 0.26 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1y7i h GLN 221 Cb -0.08 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1y7i h GLN 221 CO -0.05 0.97 -0.01 0.82 -0.67 0.00 0.00 178.83 179.89 1y7i h ILE 222 N 0.92 1.12 -0.13 2.54 2.04 -0.92 -1.04 117.51 122.05 1y7i h ILE 222 Ca 0.18 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1y7i h ILE 222 Cb 0.46 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1y7i h ILE 222 CO 0.02 0.11 -0.06 0.44 0.00 0.00 0.00 178.15 178.66 1y7i h ASP 223 N -0.21 0.17 0.22 1.72 3.45 -0.67 -1.11 116.42 119.98 1y7i h ASP 223 Ca -0.00 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1y7i h ASP 223 Cb 0.20 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 1y7i h ASP 223 CO 0.00 0.26 -1.39 0.59 -1.57 0.00 0.00 179.24 177.14 1y7i n ASN 224 N -4.37 0.48 -0.00 6.45 4.13 0.19 -4.60 115.26 117.55 1y7i n ASN 224 Ca -0.01 -0.26 -0.00 0.00 1.68 0.00 0.00 54.58 55.99 1y7i n ASN 224 Cb 0.20 1.27 -0.01 0.00 -1.54 0.00 0.00 39.78 39.70 1y7i n ASN 224 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1y7i n ILE 225 N -2.03 0.06 0.00 2.41 -6.64 -0.40 -5.07 119.36 107.69 1y7i n ILE 225 Ca -0.00 -0.05 0.00 0.00 -1.77 0.00 0.00 62.75 60.93 1y7i n ILE 225 Cb 0.47 -0.31 0.00 0.00 -1.44 0.00 0.00 39.64 38.37 1y7i n ILE 225 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1y7i n GLY 226 N 2.67 -0.22 3.17 3.28 0.00 -0.43 -5.04 105.19 108.63 1y7i n GLY 226 Ca -0.02 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 1y7i n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y7i s VAL 227 N -2.40 0.13 0.11 1.61 0.11 -1.26 -4.95 120.40 113.75 1y7i s VAL 227 Ca 0.00 -1.09 -0.13 0.00 -2.93 0.00 0.00 61.98 57.83 1y7i s VAL 227 Cb 0.00 -1.09 -0.12 0.00 -1.53 0.00 0.00 36.38 33.64 1y7i s VAL 227 CO 0.00 -0.60 1.36 0.74 -3.33 0.00 0.00 175.10 173.27 1y7i h THR 228 N 3.24 1.28 -2.75 5.04 2.02 -0.76 -3.45 112.91 117.53 1y7i h THR 228 Ca -0.33 -1.79 -0.13 0.00 0.77 0.00 0.00 66.41 64.94 1y7i h THR 228 Cb 1.19 1.78 -0.26 0.00 -1.74 0.00 0.00 68.15 69.12 1y7i h THR 228 CO 0.53 0.57 -0.30 -0.70 0.37 0.00 0.00 175.52 175.99 1y7i s GLU 229 N -4.00 0.40 -0.19 6.66 2.56 -1.01 -5.03 118.70 118.10 1y7i s GLU 229 Ca -0.11 0.64 -0.04 0.00 0.00 0.00 0.00 54.97 55.46 1y7i s GLU 229 Cb 0.09 0.08 -0.02 0.00 2.00 0.00 0.00 34.13 36.28 1y7i s GLU 229 CO 0.89 -0.11 -0.02 0.00 -0.56 0.00 0.00 175.26 175.46 1y7i s ALA 230 N 0.81 2.99 0.17 6.30 0.00 -1.26 -1.65 121.76 129.11 1y7i s ALA 230 Ca -0.05 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.02 1y7i s ALA 230 Cb -0.06 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1y7i s ALA 230 CO -0.06 -0.09 -0.15 0.42 0.00 0.00 0.00 175.76 175.88 1y7i s ILE 231 N 0.89 1.62 0.06 0.00 -1.09 0.82 -4.97 121.20 118.53 1y7i s ILE 231 Ca 0.00 -1.99 0.00 0.00 -2.23 0.00 0.00 60.65 56.43 1y7i s ILE 231 Cb -0.14 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1y7i s ILE 231 CO 0.02 -0.48 -0.04 -1.83 -1.23 0.00 0.00 174.94 171.37 1y7i s GLU 232 N -3.17 0.62 -0.31 2.79 -1.05 -1.26 0.79 118.70 117.11 1y7i s GLU 232 Ca 0.17 -1.11 0.02 0.00 -0.15 0.00 0.00 54.97 53.89 1y7i s GLU 232 Cb -0.03 0.03 0.09 0.00 -0.44 0.00 0.00 34.13 33.78 1y7i s GLU 232 CO 0.05 -0.06 0.03 0.42 0.95 0.00 0.00 175.26 176.65 1y7i s ILE 233 N -3.22 1.79 0.11 1.83 1.01 0.14 -4.87 121.20 118.00 1y7i s ILE 233 Ca 0.03 -1.85 -0.31 0.00 0.00 0.00 0.00 60.65 58.53 1y7i s ILE 233 Cb 0.03 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 1y7i s ILE 233 CO -0.06 -0.48 1.26 -0.75 0.00 0.00 0.00 174.94 174.90 1y7i s LYS 234 N 1.18 4.41 0.00 2.79 2.47 -1.26 -3.09 119.74 126.24 1y7i s LYS 234 Ca 0.06 1.90 0.00 0.00 -1.56 0.00 0.00 55.97 56.37 1y7i s LYS 234 Cb -0.19 -3.28 0.00 0.00 -1.46 0.00 0.00 37.83 32.90 1y7i s LYS 234 CO -0.12 -0.26 0.00 0.41 0.16 0.00 0.00 175.35 175.54 1y7i n GLY 235 N 2.98 0.84 3.73 5.54 0.00 -1.26 -4.98 105.19 112.05 1y7i n GLY 235 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1y7i n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y7i s ALA 236 N -2.31 3.35 0.96 4.61 0.00 -1.18 -4.71 121.76 122.49 1y7i s ALA 236 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1y7i s ALA 236 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1y7i s ALA 236 CO 0.00 -0.00 0.00 -0.40 0.00 0.00 0.00 175.76 175.36 1y7i n ASP 237 N 3.20 0.00 -2.32 0.00 5.68 -1.26 -1.05 116.55 120.81 1y7i n ASP 237 Ca -0.02 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 1y7i n ASP 237 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1y7i n ASP 237 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1y7i n HIS 238 N -1.39 0.00 -2.54 2.11 -0.00 -1.23 -4.50 115.22 107.66 1y7i n HIS 238 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1y7i n HIS 238 Cb 0.00 -0.23 0.01 0.00 -0.00 0.00 0.00 29.99 29.77 1y7i n HIS 238 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y7i n ALA 240 N 1.93 -1.62 0.00 1.57 0.00 -1.26 -4.97 120.51 116.16 1y7i n ALA 240 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1y7i n ALA 240 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1y7i n ALA 240 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y7i n LEU 242 N -0.24 0.00 0.03 0.00 4.77 -1.26 -0.85 117.00 119.45 1y7i n LEU 242 Ca -0.07 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.00 1y7i n LEU 242 Cb 0.56 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 1y7i n LEU 242 CO -0.04 0.00 -0.49 0.00 -1.33 0.00 0.00 177.39 175.53 1y7i n GLU 244 N -2.47 1.07 -0.14 0.00 -0.58 -0.03 -4.98 120.64 113.50 1y7i n GLU 244 Ca -0.05 -3.27 -0.08 0.00 -0.42 0.00 0.00 57.16 53.34 1y7i n GLU 244 Cb 0.62 -1.42 0.01 0.00 -0.57 0.00 0.00 31.44 30.07 1y7i n GLU 244 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1y7i h PRO 245 N 2.99 0.58 -0.29 3.49 0.13 -1.78 -1.48 132.00 135.63 1y7i h PRO 245 Ca -0.02 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.11 1y7i h PRO 245 Cb 1.09 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 1y7i h PRO 245 CO 0.49 0.40 0.08 -0.56 -0.23 0.00 0.00 178.00 178.18 1y7i h GLN 246 N 0.58 0.19 -0.50 0.86 -0.00 -1.91 0.16 115.11 114.49 1y7i h GLN 246 Ca 0.16 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.74 1y7i h GLN 246 Cb -0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.37 1y7i h GLN 246 CO -0.03 0.12 0.07 0.87 -0.00 0.00 0.00 178.83 179.86 1y7i h LYS 247 N 0.19 0.79 -0.32 0.06 1.57 -1.93 -0.45 116.57 116.48 1y7i h LYS 247 Ca 0.13 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1y7i h LYS 247 Cb 0.12 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1y7i h LYS 247 CO -0.16 0.75 0.06 1.25 -0.57 0.00 0.00 179.45 180.78 1y7i h LEU 248 N 0.75 0.51 -0.14 2.94 6.46 -0.66 -1.68 115.31 123.49 1y7i h LEU 248 Ca 0.16 -0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1y7i h LEU 248 Cb 0.36 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 1y7i h LEU 248 CO 0.01 0.63 -0.09 0.00 -0.62 0.00 0.00 178.44 178.37 1y7i h ALA 250 N 1.03 1.14 -0.29 0.00 0.00 -0.92 0.18 119.26 120.40 1y7i h ALA 250 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1y7i h ALA 250 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1y7i h ALA 250 CO -0.19 0.20 0.08 1.03 0.00 0.00 0.00 179.25 180.37 1y7i h SER 251 N 0.89 0.44 0.06 0.00 0.87 -0.66 -2.50 113.55 112.65 1y7i h SER 251 Ca 0.37 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1y7i h SER 251 Cb 0.22 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1y7i h SER 251 CO -0.19 0.55 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.46 1y7i h LEU 252 N 0.31 0.14 -0.67 2.23 3.38 -0.12 -2.40 115.31 118.17 1y7i h LEU 252 Ca 0.09 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1y7i h LEU 252 Cb 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1y7i h LEU 252 CO -0.00 0.29 -0.04 -0.07 0.09 0.00 0.00 178.44 178.71 1y7i h LEU 253 N 0.14 0.97 -0.65 1.67 3.38 -0.67 -1.72 115.31 118.43 1y7i h LEU 253 Ca 0.03 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1y7i h LEU 253 Cb 0.32 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1y7i h LEU 253 CO 0.02 1.05 -0.31 -0.33 0.09 0.00 0.00 178.44 178.96 1y7i h GLU 254 N 0.89 0.72 -0.80 1.13 5.08 -1.01 -1.87 114.58 118.72 1y7i h GLU 254 Ca 0.15 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1y7i h GLU 254 Cb 0.58 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1y7i h GLU 254 CO 0.04 0.93 0.38 0.82 -1.00 0.00 0.00 179.01 180.18 1y7i h ILE 255 N 0.61 1.25 -0.09 3.13 2.04 -1.21 0.42 117.51 123.67 1y7i h ILE 255 Ca 0.07 -0.72 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 1y7i h ILE 255 Cb 0.82 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1y7i h ILE 255 CO 0.07 0.31 -0.36 0.00 0.00 0.00 0.00 178.15 178.17 1y7i h ALA 256 N 1.20 1.24 0.09 1.87 0.00 -1.09 -2.57 119.26 120.00 1y7i h ALA 256 Ca 0.28 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y7i h ALA 256 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1y7i h ALA 256 CO -0.03 0.52 -0.04 1.25 0.00 0.00 0.00 179.25 180.95 1y7i h HIS 257 N 0.15 -0.11 0.27 0.00 -0.00 -0.60 -3.39 115.15 111.47 1y7i h HIS 257 Ca 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1y7i h HIS 257 Cb 0.71 0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.12 1y7i h HIS 257 CO 0.01 0.32 -0.45 0.87 -0.00 0.00 0.00 177.93 178.68 1y7i h LYS 258 N -0.96 -0.73 -6.15 5.26 1.57 -0.21 -3.36 116.57 111.98 1y7i h LYS 258 Ca -0.01 0.05 -0.56 0.00 -1.87 0.00 0.00 60.65 58.25 1y7i h LYS 258 Cb 0.47 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.85 1y7i h LYS 258 CO 0.02 -0.49 0.92 0.71 -0.57 0.00 0.00 179.45 180.04 1y7i s TYR 259 N -5.41 2.41 0.00 -1.35 1.51 -0.97 -5.10 117.35 108.44 1y7i s TYR 259 Ca -0.15 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1y7i s TYR 259 Cb 0.04 -4.52 0.00 0.00 -0.11 0.00 0.00 41.96 37.37 1y7i s TYR 259 CO 0.52 -1.92 0.00 0.09 -1.11 0.00 0.00 175.55 173.13