#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0l n VAL 2 N 0.00 0.33 -4.31 3.84 0.31 -1.26 -4.12 118.33 113.12 1y0l n VAL 2 Ca 0.00 -0.06 -0.20 0.00 -0.01 0.00 0.00 64.34 64.07 1y0l n VAL 2 Cb 0.00 -1.71 -0.16 0.00 -0.91 0.00 0.00 33.84 31.07 1y0l n VAL 2 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1y0l s LYS 3 N 2.69 0.96 -0.18 5.55 1.02 0.62 -4.98 119.74 125.42 1y0l s LYS 3 Ca 0.87 -0.23 -0.01 0.00 0.02 0.00 0.00 55.97 56.62 1y0l s LYS 3 Cb -0.70 -0.90 0.05 0.00 -0.52 0.00 0.00 37.83 35.77 1y0l s LYS 3 CO 0.46 0.02 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.40 1y0l s LEU 4 N 0.52 1.47 -0.22 3.17 1.43 -1.26 -1.80 118.68 121.99 1y0l s LEU 4 Ca -0.08 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 1y0l s LEU 4 Cb -0.12 -0.76 0.04 0.00 0.03 0.00 0.00 46.19 45.38 1y0l s LEU 4 CO 0.01 -0.25 -0.15 -0.76 0.23 0.00 0.00 176.35 175.43 1y0l s LEU 5 N 1.73 2.77 0.40 1.79 1.43 -0.45 -4.24 118.68 122.11 1y0l s LEU 5 Ca -0.01 -1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 51.99 1y0l s LEU 5 Cb -0.16 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 1y0l s LEU 5 CO -0.07 -0.11 0.71 -1.61 0.23 0.00 0.00 176.35 175.50 1y0l s GLU 6 N 1.21 3.65 0.19 1.70 8.01 -1.26 -1.03 118.70 131.17 1y0l s GLU 6 Ca -0.02 0.23 -0.20 0.00 0.01 0.00 0.00 54.97 54.98 1y0l s GLU 6 Cb -0.17 -2.46 0.04 0.00 -4.31 0.00 0.00 34.13 27.24 1y0l s GLU 6 CO -0.09 -0.02 0.58 -1.54 0.01 0.00 0.00 175.26 174.20 1y0l s SER 7 N -3.52 -0.38 0.00 -0.19 1.04 -0.64 -4.84 113.70 105.16 1y0l s SER 7 Ca 0.48 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1y0l s SER 7 Cb -0.10 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1y0l s SER 7 CO 0.36 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1y0l n GLY 8 N -0.37 0.58 3.73 7.32 0.00 -1.26 -1.27 105.19 113.92 1y0l n GLY 8 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1y0l n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y0l s GLY 9 N -1.01 1.59 0.00 -0.02 0.00 -1.26 -4.72 107.32 101.89 1y0l s GLY 9 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1y0l s GLY 9 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.74 1y0l n GLY 10 N -1.82 0.09 3.73 0.20 0.00 0.76 -4.95 105.19 103.20 1y0l n GLY 10 Ca 0.08 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 1y0l n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y0l s LEU 11 N 0.00 4.32 0.12 0.99 2.96 -1.26 -0.97 118.68 124.85 1y0l s LEU 11 Ca 0.00 1.06 0.05 0.00 -0.22 0.00 0.00 54.13 55.03 1y0l s LEU 11 Cb 0.00 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1y0l s LEU 11 CO 0.00 -0.03 -0.13 0.00 -1.32 0.00 0.00 176.35 174.87 1y0l s ALA 12 N 0.53 1.42 0.07 5.97 0.00 0.21 -4.96 121.76 125.00 1y0l s ALA 12 Ca 0.32 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 1y0l s ALA 12 Cb -0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 1y0l s ALA 12 CO 0.15 0.06 0.48 -0.65 0.00 0.00 0.00 175.76 175.80 1y0l s GLN 13 N -2.78 3.98 0.28 0.00 1.11 -1.26 -0.78 119.66 120.21 1y0l s GLN 13 Ca 0.09 0.48 -0.30 0.00 0.01 0.00 0.00 55.36 55.63 1y0l s GLN 13 Cb -0.04 -3.11 -0.13 0.00 -1.01 0.00 0.00 33.01 28.72 1y0l s GLN 13 CO 0.02 0.60 1.34 -0.35 0.01 0.00 0.00 175.29 176.92 1y0l n PRO 14 N 1.38 2.04 0.00 2.91 -0.04 -1.26 -0.95 135.00 139.08 1y0l n PRO 14 Ca -0.10 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1y0l n PRO 14 Cb 0.52 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1y0l n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y0l n GLY 15 N 1.58 2.68 0.00 0.55 0.00 0.34 -4.90 105.19 105.44 1y0l n GLY 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1y0l n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y0l n GLY 16 N -2.00 -1.30 3.18 -0.02 0.00 -0.12 -3.96 105.19 100.97 1y0l n GLY 16 Ca 0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 1y0l n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y0l s SER 17 N -1.08 1.34 -0.04 1.61 0.01 -1.26 -1.75 113.70 112.53 1y0l s SER 17 Ca 0.00 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.23 1y0l s SER 17 Cb 0.00 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.29 1y0l s SER 17 CO 0.00 -0.35 0.28 -0.22 0.41 0.00 0.00 173.24 173.35 1y0l s LEU 18 N -2.74 0.98 -0.19 2.44 2.96 0.84 -4.97 118.68 118.00 1y0l s LEU 18 Ca 0.09 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1y0l s LEU 18 Cb 0.01 1.09 0.03 0.00 0.50 0.00 0.00 46.19 47.82 1y0l s LEU 18 CO -0.02 -0.34 -0.15 -0.75 -1.32 0.00 0.00 176.35 173.78 1y0l s LYS 19 N -0.93 2.46 0.12 1.98 2.20 -1.26 0.38 119.74 124.69 1y0l s LYS 19 Ca -0.10 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 54.64 1y0l s LYS 19 Cb -0.05 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.73 1y0l s LYS 19 CO 0.03 -0.34 0.26 -0.51 -0.36 0.00 0.00 175.35 174.43 1y0l s LEU 20 N 1.32 4.34 0.23 5.43 1.43 0.36 -4.69 118.68 127.10 1y0l s LEU 20 Ca 0.01 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1y0l s LEU 20 Cb -0.15 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 1y0l s LEU 20 CO -0.10 0.08 0.12 -0.94 0.23 0.00 0.00 176.35 175.74 1y0l s SER 21 N -3.02 0.62 -0.13 2.29 1.04 -0.40 -1.48 113.70 112.62 1y0l s SER 21 Ca 0.35 -1.39 -0.07 0.00 0.48 0.00 0.00 55.95 55.31 1y0l s SER 21 Cb -0.12 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.34 1y0l s SER 21 CO 0.28 -0.80 0.31 0.00 0.98 0.00 0.00 173.24 174.01 1y0l s ALA 23 N 1.20 3.54 0.10 0.00 0.00 -0.20 -1.49 121.76 124.91 1y0l s ALA 23 Ca -0.08 -0.72 0.10 0.00 0.00 0.00 0.00 51.96 51.26 1y0l s ALA 23 Cb -0.09 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1y0l s ALA 23 CO -0.09 0.30 -0.26 0.00 0.00 0.00 0.00 175.76 175.70 1y0l s ALA 24 N -0.02 2.30 0.15 0.00 0.00 -0.24 -1.34 121.76 122.61 1y0l s ALA 24 Ca 0.07 -1.39 -0.24 0.00 0.00 0.00 0.00 51.96 50.40 1y0l s ALA 24 Cb -0.12 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.67 1y0l s ALA 24 CO 0.01 0.52 0.69 -1.54 0.00 0.00 0.00 175.76 175.43 1y0l s SER 25 N -1.82 -0.46 0.00 0.00 1.04 -0.75 -4.83 113.70 106.88 1y0l s SER 25 Ca 0.13 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1y0l s SER 25 Cb -0.10 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1y0l s SER 25 CO 0.05 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1y0l n GLY 26 N -0.38 0.57 3.75 7.32 0.00 -1.26 -0.28 105.19 114.92 1y0l n GLY 26 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1y0l n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1y0l s PHE 27 N -2.30 -0.17 -1.29 1.61 -0.71 -1.26 -4.32 117.98 109.54 1y0l s PHE 27 Ca 0.00 -0.24 -0.18 0.00 -1.04 0.00 0.00 56.93 55.46 1y0l s PHE 27 Cb 0.00 0.61 0.04 0.00 -1.21 0.00 0.00 43.02 42.46 1y0l s PHE 27 CO 0.00 -1.14 1.82 -3.47 -1.34 0.00 0.00 175.22 171.09 1y0l n ASP 28 N -0.43 4.51 -0.35 1.98 -0.08 -1.26 -4.84 116.55 116.08 1y0l n ASP 28 Ca -0.06 -2.87 0.15 0.00 -1.51 0.00 0.00 54.79 50.49 1y0l n ASP 28 Cb 0.60 -1.73 0.29 0.00 2.34 0.00 0.00 41.12 42.63 1y0l n ASP 28 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1y0l n PHE 29 N 9.01 0.63 0.28 -0.67 7.35 -1.26 -0.57 117.46 132.22 1y0l n PHE 29 Ca 0.49 1.21 0.16 0.00 -0.76 0.00 0.00 57.45 58.54 1y0l n PHE 29 Cb 0.45 -1.24 0.83 0.00 0.35 0.00 0.00 39.48 39.87 1y0l n PHE 29 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 1y0l h ARG 30 N 0.00 0.00 -0.52 -4.13 0.11 -1.88 -1.95 114.38 106.01 1y0l h ARG 30 Ca 0.60 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.68 1y0l h ARG 30 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1y0l h ARG 30 CO -0.94 0.00 0.00 0.54 0.10 0.00 0.00 179.97 179.67 1y0l n ARG 31 N -2.69 2.61 -4.54 0.08 1.74 0.26 -4.69 116.66 109.43 1y0l n ARG 31 Ca -0.02 -2.34 -0.27 0.00 -0.77 0.00 0.00 57.85 54.45 1y0l n ARG 31 Cb 0.20 -1.46 -0.13 0.00 -1.02 0.00 0.00 32.46 30.05 1y0l n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1y0l s TYR 32 N -1.10 2.10 0.37 -1.55 1.51 -0.74 -4.91 117.35 113.02 1y0l s TYR 32 Ca 0.38 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.80 1y0l s TYR 32 Cb 0.20 -1.19 -0.10 0.00 -0.11 0.00 0.00 41.96 40.77 1y0l s TYR 32 CO 0.27 0.21 0.97 -1.58 -1.11 0.00 0.00 175.55 174.32 1y0l s TRP 33 N -0.97 3.50 0.18 2.71 0.52 -1.25 -3.98 118.94 119.65 1y0l s TRP 33 Ca 0.10 1.71 0.09 0.00 0.02 0.00 0.00 56.10 58.03 1y0l s TRP 33 Cb -0.10 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 1y0l s TRP 33 CO 0.04 -0.08 -0.19 -1.64 0.02 0.00 0.00 176.95 175.09 1y0l s MET 34 N -2.41 1.34 0.04 4.98 -1.94 -0.57 -1.84 119.30 118.91 1y0l s MET 34 Ca 0.55 -1.45 -0.02 0.00 -1.71 0.00 0.00 55.69 53.05 1y0l s MET 34 Cb -0.18 -1.45 -0.02 0.00 2.01 0.00 0.00 34.83 35.19 1y0l s MET 34 CO 0.23 0.30 0.02 0.99 -0.01 0.00 0.00 175.02 176.54 1y0l s THR 35 N -2.00 0.16 -0.05 2.05 2.01 0.15 -1.52 115.64 116.44 1y0l s THR 35 Ca 0.17 -1.30 0.06 0.00 0.31 0.00 0.00 61.69 60.94 1y0l s THR 35 Cb -0.06 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1y0l s THR 35 CO 0.08 -0.72 -0.23 0.26 -0.69 0.00 0.00 174.62 173.32 1y0l s TRP 36 N -2.78 2.47 0.02 4.92 0.52 -0.65 -0.35 118.94 123.09 1y0l s TRP 36 Ca -0.04 -0.59 0.01 0.00 0.02 0.00 0.00 56.10 55.51 1y0l s TRP 36 Cb -0.00 -1.59 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1y0l s TRP 36 CO -0.06 -0.13 -0.04 0.08 0.02 0.00 0.00 176.95 176.83 1y0l s VAL 37 N -0.31 0.21 0.13 4.03 1.01 -0.70 -1.41 120.40 123.37 1y0l s VAL 37 Ca 0.01 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1y0l s VAL 37 Cb -0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1y0l s VAL 37 CO 0.02 -0.40 -0.07 0.00 0.00 0.00 0.00 175.10 174.65 1y0l s ARG 38 N -1.30 0.98 -0.16 2.72 1.70 -0.33 0.10 118.95 122.66 1y0l s ARG 38 Ca -0.12 -1.42 -0.05 0.00 -0.47 0.00 0.00 55.73 53.67 1y0l s ARG 38 Cb -0.09 -0.41 0.06 0.00 -0.57 0.00 0.00 34.95 33.94 1y0l s ARG 38 CO -0.01 0.01 0.10 -1.14 -1.08 0.00 0.00 175.30 173.18 1y0l s GLN 39 N -3.81 0.06 0.53 3.89 0.74 0.03 -0.73 119.66 120.37 1y0l s GLN 39 Ca 0.16 0.01 -0.11 0.00 0.05 0.00 0.00 55.36 55.47 1y0l s GLN 39 Cb 0.04 -1.60 -0.05 0.00 1.10 0.00 0.00 33.01 32.50 1y0l s GLN 39 CO -0.01 -0.63 0.92 0.00 -0.55 0.00 0.00 175.29 175.02 1y0l s ALA 40 N 2.16 3.20 0.24 1.58 0.00 -1.26 -1.31 121.76 126.38 1y0l s ALA 40 Ca 0.03 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 1y0l s ALA 40 Cb -0.15 -2.91 -0.13 0.00 0.00 0.00 0.00 23.12 19.92 1y0l s ALA 40 CO -0.09 -0.40 1.46 -2.30 0.00 0.00 0.00 175.76 174.43 1y0l n PRO 41 N -2.14 2.18 -1.22 0.00 -0.02 -1.26 -1.44 135.00 131.09 1y0l n PRO 41 Ca 0.04 0.78 -0.08 0.00 -2.02 0.00 0.00 63.50 62.22 1y0l n PRO 41 Cb 0.54 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1y0l n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y0l n GLY 42 N 2.26 0.89 3.46 -1.23 0.00 -1.26 -4.98 105.19 104.32 1y0l n GLY 42 Ca 0.11 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1y0l n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y0l s LYS 43 N -2.34 1.70 0.10 1.61 1.02 -0.52 -5.16 119.74 116.14 1y0l s LYS 43 Ca 0.00 -1.96 -0.00 0.00 0.02 0.00 0.00 55.97 54.03 1y0l s LYS 43 Cb 0.00 -0.81 0.02 0.00 -0.52 0.00 0.00 37.83 36.52 1y0l s LYS 43 CO 0.00 -0.24 0.14 0.41 -0.92 0.00 0.00 175.35 174.74 1y0l n GLY 44 N -0.72 0.54 3.77 -3.33 0.00 -1.26 -4.61 105.19 99.58 1y0l n GLY 44 Ca -0.03 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 1y0l n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y0l s LEU 45 N 0.00 3.95 -0.10 0.99 1.43 -1.26 -4.36 118.68 119.33 1y0l s LEU 45 Ca 0.09 2.26 -0.02 0.00 -1.03 0.00 0.00 54.13 55.43 1y0l s LEU 45 Cb -0.00 -4.33 0.04 0.00 0.03 0.00 0.00 46.19 41.93 1y0l s LEU 45 CO 0.06 -0.98 0.02 -0.70 0.23 0.00 0.00 176.35 174.98 1y0l s GLU 46 N -2.84 0.48 0.13 1.70 2.12 0.10 -4.99 118.70 115.41 1y0l s GLU 46 Ca 0.66 0.01 -0.31 0.00 0.36 0.00 0.00 54.97 55.68 1y0l s GLU 46 Cb -0.27 -1.25 -0.08 0.00 0.26 0.00 0.00 34.13 32.79 1y0l s GLU 46 CO 0.32 -0.41 1.41 -0.46 -0.54 0.00 0.00 175.26 175.58 1y0l s TRP 47 N 1.99 3.21 -0.26 5.30 -0.00 -1.26 -1.19 118.94 126.72 1y0l s TRP 47 Ca 0.03 0.92 -0.09 0.00 -0.00 0.00 0.00 56.10 56.96 1y0l s TRP 47 Cb -0.14 -3.72 -0.13 0.00 -0.00 0.00 0.00 33.47 29.49 1y0l s TRP 47 CO -0.06 -2.51 -0.31 -0.89 -0.00 0.00 0.00 176.95 173.17 1y0l n ILE 48 N 3.80 1.46 0.00 5.86 5.41 -0.50 -4.59 119.36 130.79 1y0l n ILE 48 Ca 0.11 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1y0l n ILE 48 Cb 0.42 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 1y0l n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y0l n GLY 49 N 1.57 -0.88 3.28 7.39 0.00 -1.17 -1.19 105.19 114.20 1y0l n GLY 49 Ca -0.51 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 1y0l n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1y0l s GLU 50 N -2.00 1.10 -0.11 1.61 -1.05 -0.34 -1.63 118.70 116.27 1y0l s GLU 50 Ca 0.00 -1.26 -0.07 0.00 -0.15 0.00 0.00 54.97 53.48 1y0l s GLU 50 Cb 0.00 0.34 0.04 0.00 -0.44 0.00 0.00 34.13 34.07 1y0l s GLU 50 CO 0.00 -0.38 0.28 -1.50 0.95 0.00 0.00 175.26 174.61 1y0l s ILE 51 N -4.00 -0.02 0.86 1.83 2.07 -0.58 -2.20 121.20 119.16 1y0l s ILE 51 Ca 0.20 0.09 -0.13 0.00 -1.41 0.00 0.00 60.65 59.40 1y0l s ILE 51 Cb 0.05 -0.41 0.13 0.00 0.13 0.00 0.00 42.46 42.35 1y0l s ILE 51 CO 0.01 0.04 1.23 0.54 -1.91 0.00 0.00 174.94 174.84 1y0l s ASN 52 N 0.89 3.97 0.20 4.50 4.22 -0.63 -1.51 114.94 126.60 1y0l s ASN 52 Ca -0.06 0.56 -0.16 0.00 -2.14 0.00 0.00 52.86 51.05 1y0l s ASN 52 Cb -0.07 -0.88 0.19 0.00 1.28 0.00 0.00 41.25 41.77 1y0l s ASN 52 CO -0.06 -2.22 1.61 -0.65 -2.04 0.00 0.00 177.10 173.74 1y0l h PRO 52 N -1.27 -0.07 -0.59 3.55 0.11 -1.84 -2.38 132.00 129.51 1y0l h PRO 52 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1y0l h PRO 52 Cb 1.29 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1y0l h PRO 52 CO 0.55 -0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.89 1y0l n ASP 53 N -5.44 2.92 0.00 -2.05 5.68 -1.26 -4.91 116.55 111.49 1y0l n ASP 53 Ca 0.06 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.09 1y0l n ASP 53 Cb 0.34 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1y0l n ASP 53 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1y0l n SER 54 N 0.53 -1.77 0.23 -1.12 7.64 -0.90 -4.80 113.62 113.43 1y0l n SER 54 Ca 0.15 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.15 1y0l n SER 54 Cb 0.56 -2.52 0.40 0.00 -1.01 0.00 0.00 64.21 61.64 1y0l n SER 54 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1y0l h ARG 55 N 0.26 0.00 -5.00 1.43 -0.00 -1.91 -3.42 114.38 105.73 1y0l h ARG 55 Ca 0.00 0.00 -0.66 0.00 -0.50 0.00 0.00 59.98 58.82 1y0l h ARG 55 Cb 0.28 0.00 -0.35 0.00 0.00 0.00 0.00 29.97 29.90 1y0l h ARG 55 CO 0.00 0.09 -0.86 0.99 0.00 0.00 0.00 179.97 180.19 1y0l s THR 56 N -3.43 1.96 -0.06 2.04 2.01 -1.26 -5.06 115.64 111.84 1y0l s THR 56 Ca 0.03 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 1y0l s THR 56 Cb 0.08 -1.77 0.03 0.00 0.01 0.00 0.00 72.50 70.84 1y0l s THR 56 CO 0.62 0.52 0.03 -0.63 -0.69 0.00 0.00 174.62 174.48 1y0l s ILE 57 N 1.26 0.16 -0.01 1.82 1.01 -1.26 -1.60 121.20 122.59 1y0l s ILE 57 Ca 0.03 0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.97 1y0l s ILE 57 Cb -0.13 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 1y0l s ILE 57 CO -0.11 0.21 -0.15 0.20 0.00 0.00 0.00 174.94 175.10 1y0l s ASN 58 N 2.06 4.02 0.33 3.58 0.01 -0.94 -4.98 114.94 119.02 1y0l s ASN 58 Ca 0.05 -0.27 0.06 0.00 -0.71 0.00 0.00 52.86 51.98 1y0l s ASN 58 Cb -0.12 -0.79 -0.06 0.00 0.41 0.00 0.00 41.25 40.68 1y0l s ASN 58 CO -0.04 0.30 -0.00 -0.31 -1.51 0.00 0.00 177.10 175.54 1y0l s TYR 59 N -0.84 2.10 0.71 2.20 2.02 -1.26 -1.20 117.35 121.08 1y0l s TYR 59 Ca 0.13 -0.78 -0.11 0.00 -0.37 0.00 0.00 57.07 55.95 1y0l s TYR 59 Cb -0.11 -1.33 0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1y0l s TYR 59 CO 0.03 0.23 1.08 0.00 -1.57 0.00 0.00 175.55 175.33 1y0l s MET 60 N -3.78 2.82 -0.32 -0.62 0.23 -0.33 -4.90 119.30 112.40 1y0l s MET 60 Ca 0.33 0.63 -0.28 0.00 -1.03 0.00 0.00 55.69 55.34 1y0l s MET 60 Cb 0.07 -2.00 -0.03 0.00 -1.53 0.00 0.00 34.83 31.33 1y0l s MET 60 CO 0.15 -1.10 1.98 -2.14 -2.03 0.00 0.00 175.02 171.88 1y0l s PRO 61 N -5.23 3.14 0.00 3.16 0.02 -1.26 -4.86 135.00 129.96 1y0l s PRO 61 Ca 0.58 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.17 1y0l s PRO 61 Cb -0.12 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.11 1y0l s PRO 61 CO 0.53 -2.09 0.00 -1.13 -0.33 0.00 0.00 177.00 173.98 1y0l n SER 62 N 11.28 0.00 -4.86 2.53 3.41 -1.26 -5.16 113.62 119.55 1y0l n SER 62 Ca 0.26 -0.87 -0.31 0.00 -0.26 0.00 0.00 58.87 57.69 1y0l n SER 62 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1y0l n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1y0l s LEU 63 N 0.00 3.79 0.29 1.04 1.43 -1.26 -5.00 118.68 118.96 1y0l s LEU 63 Ca 0.00 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.08 1y0l s LEU 63 Cb 0.00 -4.17 -0.13 0.00 0.03 0.00 0.00 46.19 41.92 1y0l s LEU 63 CO 0.00 -0.44 1.30 1.17 0.23 0.00 0.00 176.35 178.61 1y0l n LYS 64 N -1.31 1.97 -1.02 1.70 4.81 -1.26 -1.60 118.16 121.45 1y0l n LYS 64 Ca 0.04 0.69 -0.05 0.00 -0.87 0.00 0.00 58.31 58.12 1y0l n LYS 64 Cb 0.54 -2.28 -0.02 0.00 0.02 0.00 0.00 35.03 33.29 1y0l n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1y0l n ASP 65 N 1.45 -4.76 0.12 3.14 9.92 -1.26 -4.76 116.55 120.40 1y0l n ASP 65 Ca 0.08 0.13 0.03 0.00 -0.53 0.00 0.00 54.79 54.51 1y0l n ASP 65 Cb 0.33 -3.28 0.43 0.00 -0.64 0.00 0.00 41.12 37.97 1y0l n ASP 65 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1y0l h LYS 66 N 0.00 0.26 -5.15 -1.24 3.11 -1.65 -3.42 116.57 108.48 1y0l h LYS 66 Ca -0.11 -0.04 -0.40 0.00 -2.81 0.00 0.00 60.65 57.29 1y0l h LYS 66 Cb 0.90 -0.04 -0.23 0.00 -1.00 0.00 0.00 32.23 31.86 1y0l h LYS 66 CO 0.16 0.32 -0.78 -0.06 -2.81 0.00 0.00 179.45 176.28 1y0l s PHE 67 N -4.92 1.09 -0.18 1.91 0.08 -1.26 -3.28 117.98 111.42 1y0l s PHE 67 Ca -0.06 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.54 1y0l s PHE 67 Cb 0.16 -0.63 0.07 0.00 -0.57 0.00 0.00 43.02 42.05 1y0l s PHE 67 CO 0.72 0.02 0.15 0.42 -0.10 0.00 0.00 175.22 176.43 1y0l s ILE 68 N -1.06 -0.20 -0.10 0.64 1.01 -0.87 -4.98 121.20 115.64 1y0l s ILE 68 Ca -0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 1y0l s ILE 68 Cb -0.09 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1y0l s ILE 68 CO 0.01 -0.23 0.10 -0.63 0.00 0.00 0.00 174.94 174.19 1y0l s ILE 69 N 2.23 5.15 0.22 2.92 1.01 -1.26 -0.91 121.20 130.57 1y0l s ILE 69 Ca 0.04 0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 1y0l s ILE 69 Cb -0.16 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1y0l s ILE 69 CO -0.10 0.58 0.46 -0.94 0.00 0.00 0.00 174.94 174.93 1y0l s SER 70 N -1.11 -0.11 0.11 3.58 1.04 -0.80 -5.01 113.70 111.40 1y0l s SER 70 Ca 0.16 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.65 1y0l s SER 70 Cb -0.12 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1y0l s SER 70 CO 0.05 -1.09 0.28 0.00 0.98 0.00 0.00 173.24 173.46 1y0l s ARG 71 N -3.98 0.95 -0.36 4.02 1.70 -1.26 -0.51 118.95 119.51 1y0l s ARG 71 Ca 0.19 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1y0l s ARG 71 Cb -0.00 0.39 0.12 0.00 -0.57 0.00 0.00 34.95 34.89 1y0l s ARG 71 CO 0.05 -0.34 0.17 0.34 -1.08 0.00 0.00 175.30 174.45 1y0l s ASP 72 N -2.85 3.66 0.46 -2.89 -1.08 -0.64 -5.00 116.67 108.34 1y0l s ASP 72 Ca 0.05 -2.03 0.13 0.00 -0.52 0.00 0.00 52.55 50.18 1y0l s ASP 72 Cb 0.04 -0.79 1.06 0.00 -1.46 0.00 0.00 42.92 41.77 1y0l s ASP 72 CO -0.11 -0.35 2.05 0.78 0.52 0.00 0.00 175.17 178.06 1y0l h ASN 73 N 7.47 0.28 -0.10 -0.34 2.35 -1.93 -1.81 115.58 121.50 1y0l h ASN 73 Ca -0.06 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1y0l h ASN 73 Cb 0.98 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 1y0l h ASN 73 CO 0.43 0.19 -0.10 0.00 -1.65 0.00 0.00 177.43 176.30 1y0l h ALA 74 N 1.79 1.36 -0.55 -0.83 0.00 -1.96 -2.90 119.26 116.16 1y0l h ALA 74 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1y0l h ALA 74 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1y0l h ALA 74 CO -0.04 0.44 0.00 1.63 0.00 0.00 0.00 179.25 181.28 1y0l n LYS 75 N -4.24 3.20 -4.13 0.00 4.01 -0.74 -4.97 118.16 111.28 1y0l n LYS 75 Ca 0.00 -2.63 -0.29 0.00 -0.51 0.00 0.00 58.31 54.89 1y0l n LYS 75 Cb 0.29 -1.66 -0.05 0.00 -0.51 0.00 0.00 35.03 33.10 1y0l n LYS 75 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1y0l n ASN 76 N 0.93 -0.18 -4.25 4.39 4.13 -0.82 -4.80 115.26 114.66 1y0l n ASN 76 Ca 0.22 -1.11 -0.21 0.00 1.68 0.00 0.00 54.58 55.15 1y0l n ASN 76 Cb 0.71 -2.44 -0.12 0.00 -1.54 0.00 0.00 39.78 36.39 1y0l n ASN 76 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1y0l s SER 77 N -4.24 2.18 0.01 6.41 0.01 -1.05 -1.08 113.70 115.95 1y0l s SER 77 Ca 0.10 -0.71 0.06 0.00 1.31 0.00 0.00 55.95 56.72 1y0l s SER 77 Cb -0.06 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1y0l s SER 77 CO 0.94 -0.03 -0.19 -0.22 0.41 0.00 0.00 173.24 174.14 1y0l s LEU 78 N -2.05 2.09 0.07 2.44 2.96 -0.56 -1.61 118.68 122.01 1y0l s LEU 78 Ca 0.05 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.61 1y0l s LEU 78 Cb -0.08 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 1y0l s LEU 78 CO 0.04 0.20 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.80 1y0l s TYR 79 N -0.59 1.33 -0.08 5.38 2.02 0.33 -0.62 117.35 125.13 1y0l s TYR 79 Ca 0.07 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.33 1y0l s TYR 79 Cb -0.08 -0.76 0.03 0.00 -0.40 0.00 0.00 41.96 40.76 1y0l s TYR 79 CO 0.00 0.08 0.03 -1.17 -1.57 0.00 0.00 175.55 172.92 1y0l s LEU 80 N -1.58 0.48 -0.30 -1.29 2.96 -0.55 -1.91 118.68 116.49 1y0l s LEU 80 Ca 0.01 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 1y0l s LEU 80 Cb -0.09 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.23 1y0l s LEU 80 CO 0.02 -0.23 0.14 -1.10 -1.32 0.00 0.00 176.35 173.87 1y0l s GLN 81 N 2.04 3.49 -0.09 1.98 -0.21 -0.09 -0.49 119.66 126.29 1y0l s GLN 81 Ca 0.04 -0.61 -0.04 0.00 0.02 0.00 0.00 55.36 54.77 1y0l s GLN 81 Cb -0.13 -3.54 -0.04 0.00 1.00 0.00 0.00 33.01 30.31 1y0l s GLN 81 CO -0.05 -0.34 0.08 -0.51 -2.12 0.00 0.00 175.29 172.35 1y0l s LEU 82 N 1.64 4.04 0.13 2.90 1.43 0.16 -2.05 118.68 126.94 1y0l s LEU 82 Ca 0.05 0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1y0l s LEU 82 Cb -0.17 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1y0l s LEU 82 CO 0.07 0.38 0.08 -0.94 0.23 0.00 0.00 176.35 176.17 1y0l s SER 82 N -1.08 0.28 -1.39 2.29 1.04 -1.20 -0.11 113.70 113.53 1y0l s SER 82 Ca 0.16 -1.17 -0.02 0.00 0.48 0.00 0.00 55.95 55.40 1y0l s SER 82 Cb -0.12 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1y0l s SER 82 CO 0.05 -0.75 0.57 0.54 0.98 0.00 0.00 173.24 174.63 1y0l n ARG 82 N -0.11 -4.05 -1.83 4.02 1.74 -0.72 -4.86 116.66 110.86 1y0l n ARG 82 Ca -0.06 0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 57.11 1y0l n ARG 82 Cb 0.64 -4.86 -0.01 0.00 -1.02 0.00 0.00 32.46 27.21 1y0l n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1y0l s LEU 82 N -6.88 4.34 0.24 0.55 1.43 -0.74 -4.63 118.68 113.00 1y0l s LEU 82 Ca 0.07 2.94 0.02 0.00 -1.03 0.00 0.00 54.13 56.13 1y0l s LEU 82 Cb -0.03 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1y0l s LEU 82 CO 0.86 -0.85 0.04 0.00 0.23 0.00 0.00 176.35 176.62 1y0l s ARG 83 N -1.12 1.37 0.37 1.70 1.70 -1.26 0.13 118.95 121.84 1y0l s ARG 83 Ca 0.58 -1.71 0.08 0.00 -0.47 0.00 0.00 55.73 54.21 1y0l s ARG 83 Cb -0.46 -0.47 0.82 0.00 -0.57 0.00 0.00 34.95 34.27 1y0l s ARG 83 CO 0.53 -0.18 1.92 0.66 -1.08 0.00 0.00 175.30 177.14 1y0l h SER 84 N 2.43 0.62 0.00 -2.89 4.64 -1.97 -0.01 113.55 116.37 1y0l h SER 84 Ca -0.38 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1y0l h SER 84 Cb 1.23 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1y0l h SER 84 CO 0.64 0.36 0.01 -0.62 -0.87 0.00 0.00 176.83 176.35 1y0l n GLU 85 N -4.51 0.10 0.00 4.77 1.02 -1.26 -0.70 120.64 120.06 1y0l n GLU 85 Ca 0.14 0.60 0.13 0.00 -0.02 0.00 0.00 57.16 58.01 1y0l n GLU 85 Cb 0.37 -1.86 0.43 0.00 -0.02 0.00 0.00 31.44 30.36 1y0l n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1y0l n ASP 86 N -2.07 0.54 -4.69 1.62 9.92 -0.02 -4.85 116.55 117.00 1y0l n ASP 86 Ca -0.01 -0.37 -0.42 0.00 -0.53 0.00 0.00 54.79 53.46 1y0l n ASP 86 Cb 0.04 0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 40.52 1y0l n ASP 86 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1y0l s SER 87 N -2.75 6.69 0.00 -2.24 0.01 0.13 -4.85 113.70 110.69 1y0l s SER 87 Ca 0.19 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.79 1y0l s SER 87 Cb 0.19 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1y0l s SER 87 CO 0.58 -0.83 0.00 0.00 0.41 0.00 0.00 173.24 173.39 1y0l n ALA 88 N 5.63 0.00 -2.70 1.44 0.00 -0.06 -4.41 120.51 120.41 1y0l n ALA 88 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.21 1y0l n ALA 88 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 1y0l n ALA 88 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1y0l s LEU 89 N 0.00 4.21 -0.20 0.00 0.20 -0.43 -1.11 118.68 121.35 1y0l s LEU 89 Ca 0.00 0.62 -0.07 0.00 0.69 0.00 0.00 54.13 55.36 1y0l s LEU 89 Cb 0.00 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 1y0l s LEU 89 CO 0.00 -0.02 0.06 -0.31 -0.29 0.00 0.00 176.35 175.79 1y0l s TYR 90 N 0.93 3.18 -0.06 5.38 1.51 -0.33 -0.79 117.35 127.17 1y0l s TYR 90 Ca 0.21 -0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.18 1y0l s TYR 90 Cb -0.14 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1y0l s TYR 90 CO 0.08 -0.02 -0.03 0.71 -1.11 0.00 0.00 175.55 175.18 1y0l s TYR 91 N 0.80 3.05 -0.26 2.71 2.02 0.29 -1.37 117.35 124.59 1y0l s TYR 91 Ca 0.03 0.10 -0.13 0.00 -0.37 0.00 0.00 57.07 56.71 1y0l s TYR 91 Cb -0.14 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 1y0l s TYR 91 CO 0.02 0.42 0.27 0.00 -1.57 0.00 0.00 175.55 174.69 1y0l s VAL 93 N 1.61 0.88 -0.07 0.00 1.01 0.53 -0.89 120.40 123.47 1y0l s VAL 93 Ca 0.11 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 1y0l s VAL 93 Cb -0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1y0l s VAL 93 CO 0.09 0.11 0.37 -0.60 0.00 0.00 0.00 175.10 175.06 1y0l s ARG 94 N -0.63 4.01 -0.25 2.72 3.52 -0.44 0.31 118.95 128.20 1y0l s ARG 94 Ca 0.02 0.30 -0.06 0.00 -0.13 0.00 0.00 55.73 55.86 1y0l s ARG 94 Cb -0.06 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1y0l s ARG 94 CO 0.00 0.51 0.03 -1.17 -0.81 0.00 0.00 175.30 173.87 1y0l s LEU 95 N -0.46 3.36 -0.47 -0.88 2.96 -0.76 -1.96 118.68 120.46 1y0l s LEU 95 Ca 0.22 -0.42 -0.25 0.00 -0.22 0.00 0.00 54.13 53.45 1y0l s LEU 95 Cb -0.15 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.72 1y0l s LEU 95 CO 0.10 -0.07 0.92 -0.62 -1.32 0.00 0.00 176.35 175.36 1y0l s ASP 96 N 1.53 6.47 -0.49 3.68 2.15 0.77 -3.77 116.67 127.02 1y0l s ASP 96 Ca 0.05 0.04 -0.11 0.00 0.43 0.00 0.00 52.55 52.97 1y0l s ASP 96 Cb -0.15 -2.45 0.12 0.00 -0.30 0.00 0.00 42.92 40.14 1y0l s ASP 96 CO 0.01 -1.07 0.38 0.12 -0.17 0.00 0.00 175.17 174.44 1y0l s PHE 97 N 3.77 3.39 -0.38 -5.34 2.19 -1.26 -1.75 117.98 118.60 1y0l s PHE 97 Ca 0.36 -1.76 -0.06 0.00 0.33 0.00 0.00 56.93 55.80 1y0l s PHE 97 Cb -0.10 -3.57 0.07 0.00 -1.31 0.00 0.00 43.02 38.11 1y0l s PHE 97 CO 0.25 -1.00 0.17 0.34 1.83 0.00 0.00 175.22 176.81 1y0l s ASP 98 N 2.86 5.36 0.18 6.13 -1.08 -1.26 -4.95 116.67 123.91 1y0l s ASP 98 Ca 0.05 -1.50 0.26 0.00 -0.52 0.00 0.00 52.55 50.85 1y0l s ASP 98 Cb -0.27 -1.88 0.79 0.00 -1.46 0.00 0.00 42.92 40.10 1y0l s ASP 98 CO -0.00 -0.44 1.74 1.33 0.52 0.00 0.00 175.17 178.31 1y0l n VAL 99 N 4.77 0.52 0.07 1.11 0.24 -1.26 -1.70 118.33 122.09 1y0l n VAL 99 Ca -0.09 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 1y0l n VAL 99 Cb 0.43 -0.52 -0.13 0.00 -1.47 0.00 0.00 33.84 32.14 1y0l n VAL 99 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1y0l h TYR 100 N 0.00 0.31 -0.01 6.34 0.05 -2.05 -3.34 116.97 118.26 1y0l h TYR 100 Ca 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1y0l h TYR 100 Cb 0.72 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.45 1y0l h TYR 100 CO 0.00 1.21 -0.15 0.09 -1.05 0.00 0.00 178.16 178.26 1y0l n ASN 100 N -3.42 1.66 -2.62 3.88 3.02 -1.24 -5.26 115.26 111.28 1y0l n ASN 100 Ca -0.09 -1.33 -0.05 0.00 -0.03 0.00 0.00 54.58 53.08 1y0l n ASN 100 Cb 1.01 0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 40.41 1y0l n ASN 100 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1y0l n HIS 100 N 0.18 -4.48 0.00 3.10 8.25 -0.69 -5.10 115.22 116.49 1y0l n HIS 100 Ca 0.06 2.54 0.00 0.00 -0.26 0.00 0.00 57.72 60.07 1y0l n HIS 100 Cb 0.28 -3.95 0.00 0.00 1.12 0.00 0.00 29.99 27.44 1y0l n HIS 100 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1y0l n TYR 100 N 1.61 0.00 -4.45 4.41 4.01 -1.26 -5.04 117.16 116.45 1y0l n TYR 100 Ca -0.38 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.16 1y0l n TYR 100 Cb 0.59 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.48 1y0l n TYR 100 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1y0l s VAL 100 N 0.00 0.86 -1.11 -0.72 1.01 -0.72 -4.96 120.40 114.76 1y0l s VAL 100 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1y0l s VAL 100 Cb 0.00 -0.73 0.11 0.00 0.00 0.00 0.00 36.38 35.76 1y0l s VAL 100 CO 0.00 0.21 1.42 -0.76 0.00 0.00 0.00 175.10 175.97 1y0l s LEU 100 N -0.35 4.46 0.00 3.92 1.43 -1.26 -0.16 118.68 126.72 1y0l s LEU 100 Ca 0.04 -2.29 0.00 0.00 -1.03 0.00 0.00 54.13 50.85 1y0l s LEU 100 Cb -0.05 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1y0l s LEU 100 CO -0.00 -1.09 0.53 0.47 0.23 0.00 0.00 176.35 176.49 1y0l n ASP 101 N 7.19 0.00 -4.68 2.29 8.00 -0.83 -4.85 116.55 123.67 1y0l n ASP 101 Ca 0.35 0.53 -0.35 0.00 0.71 0.00 0.00 54.79 56.03 1y0l n ASP 101 Cb 0.47 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 1y0l n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1y0l s TYR 102 N -1.12 3.17 0.05 1.24 2.02 -1.26 -4.99 117.35 116.47 1y0l s TYR 102 Ca 0.00 0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.95 1y0l s TYR 102 Cb 0.00 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 1y0l s TYR 102 CO 0.00 0.44 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.61 1y0l s TRP 103 N -0.76 1.95 0.94 2.71 0.52 -1.26 -1.32 118.94 121.72 1y0l s TRP 103 Ca 0.12 -0.39 -0.15 0.00 0.02 0.00 0.00 56.10 55.70 1y0l s TRP 103 Cb -0.12 -1.15 0.19 0.00 -1.15 0.00 0.00 33.47 31.24 1y0l s TRP 103 CO 0.02 0.12 1.30 0.20 0.02 0.00 0.00 176.95 178.61 1y0l s GLY 104 N -1.28 1.78 0.00 0.98 0.00 -0.07 -4.81 107.32 103.91 1y0l s GLY 104 Ca 0.09 -1.23 0.27 0.00 0.00 0.00 0.00 44.72 43.85 1y0l s GLY 104 CO 0.02 -0.48 1.72 -1.06 0.00 0.00 0.00 173.10 173.31 1y0l n GLN 105 N -3.69 1.67 0.00 2.90 6.02 -1.26 -4.74 117.38 118.27 1y0l n GLN 105 Ca 0.15 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 56.17 1y0l n GLN 105 Cb 0.60 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1y0l n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y0l n GLY 106 N 1.16 -1.31 3.03 1.08 0.00 -1.26 -5.01 105.19 102.89 1y0l n GLY 106 Ca 0.19 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 1y0l n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1y0l s THR 107 N -3.00 1.16 0.14 2.61 -1.32 -0.47 -4.82 115.64 109.93 1y0l s THR 107 Ca 0.00 -0.49 -0.29 0.00 -1.21 0.00 0.00 61.69 59.70 1y0l s THR 107 Cb 0.00 -1.06 -0.07 0.00 -1.51 0.00 0.00 72.50 69.87 1y0l s THR 107 CO 0.00 0.36 0.91 -0.55 -2.21 0.00 0.00 174.62 173.13 1y0l s SER 108 N 0.65 7.48 -0.09 8.08 0.15 -1.26 -1.18 113.70 127.53 1y0l s SER 108 Ca -0.15 1.77 0.01 0.00 0.70 0.00 0.00 55.95 58.28 1y0l s SER 108 Cb -0.16 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1y0l s SER 108 CO 0.04 0.02 -0.09 -0.69 1.20 0.00 0.00 173.24 173.72 1y0l s VAL 109 N -0.38 1.04 -0.15 4.45 1.01 -0.26 -0.17 120.40 125.93 1y0l s VAL 109 Ca 0.43 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1y0l s VAL 109 Cb -0.24 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1y0l s VAL 109 CO 0.29 0.35 -0.17 -0.89 0.00 0.00 0.00 175.10 174.68 1y0l s THR 110 N 1.24 1.76 -0.57 3.92 2.01 -0.14 -0.88 115.64 122.98 1y0l s THR 110 Ca -0.04 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.03 1y0l s THR 110 Cb -0.14 -1.61 0.13 0.00 0.01 0.00 0.00 72.50 70.90 1y0l s THR 110 CO -0.03 0.49 0.55 -0.69 -0.69 0.00 0.00 174.62 174.25 1y0l s VAL 111 N 1.25 5.19 -0.02 3.82 1.01 -1.26 -0.62 120.40 129.78 1y0l s VAL 111 Ca 0.01 -1.51 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 1y0l s VAL 111 Cb -0.14 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 31.89 1y0l s VAL 111 CO -0.08 -0.92 0.29 -0.55 0.00 0.00 0.00 175.10 173.84 1y0l s SER 112 N 3.50 -0.17 0.43 3.32 0.15 0.04 -4.39 113.70 116.58 1y0l s SER 112 Ca 0.05 0.07 0.24 0.00 0.70 0.00 0.00 55.95 57.01 1y0l s SER 112 Cb -0.28 0.31 0.53 0.00 -1.71 0.00 0.00 66.02 64.87 1y0l s SER 112 CO 0.02 -0.42 1.67 0.77 1.20 0.00 0.00 173.24 176.48 1y0l h SER 113 N 4.00 0.00 -2.36 5.45 4.64 -1.95 -3.37 113.55 119.95 1y0l h SER 113 Ca -0.30 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.71 1y0l h SER 113 Cb 1.18 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 63.45 1y0l h SER 113 CO 0.40 0.11 -0.39 0.00 -0.87 0.00 0.00 176.83 176.07 1y0l n ALA 114 N -2.13 -2.69 -2.44 5.18 0.00 -1.26 -5.03 120.51 112.13 1y0l n ALA 114 Ca 0.03 -1.34 -0.25 0.00 0.00 0.00 0.00 53.44 51.88 1y0l n ALA 114 Cb 0.52 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 1y0l n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1y0l s SER 115 N -2.26 3.07 0.86 0.00 1.04 -1.26 -5.02 113.70 110.14 1y0l s SER 115 Ca 0.50 -0.85 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 1y0l s SER 115 Cb -0.10 -0.21 0.12 0.00 0.10 0.00 0.00 66.02 65.93 1y0l s SER 115 CO 0.48 0.05 1.17 0.42 0.98 0.00 0.00 173.24 176.34 1y0l s THR 116 N -1.79 2.13 -0.29 2.02 -4.23 -1.26 -4.79 115.64 107.43 1y0l s THR 116 Ca 0.18 0.05 -0.09 0.00 -1.18 0.00 0.00 61.69 60.64 1y0l s THR 116 Cb -0.07 -2.23 0.13 0.00 1.34 0.00 0.00 72.50 71.66 1y0l s THR 116 CO 0.08 -0.05 0.62 -0.75 -0.54 0.00 0.00 174.62 173.98 1y0l s LYS 117 N -4.47 0.55 0.69 3.99 2.20 0.20 -4.92 119.74 117.98 1y0l s LYS 117 Ca 0.69 1.38 -0.16 0.00 -0.36 0.00 0.00 55.97 57.52 1y0l s LYS 117 Cb -0.25 0.79 0.02 0.00 -1.51 0.00 0.00 37.83 36.88 1y0l s LYS 117 CO 0.55 -0.23 1.23 0.20 -0.36 0.00 0.00 175.35 176.74 1y0l s GLY 118 N 2.86 2.53 0.39 5.54 0.00 -1.26 -2.04 107.32 115.34 1y0l s GLY 118 Ca -0.04 0.97 -0.05 0.00 0.00 0.00 0.00 44.72 45.60 1y0l s GLY 118 CO -0.18 1.38 0.68 2.56 0.00 0.00 0.00 173.10 177.54 1y0l s PRO 119 N -3.70 3.61 -0.24 2.90 0.04 -1.26 -4.53 135.00 131.82 1y0l s PRO 119 Ca 0.77 0.12 -0.10 0.00 0.04 0.00 0.00 61.00 61.83 1y0l s PRO 119 Cb -0.31 -2.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 1y0l s PRO 119 CO 0.42 -0.00 0.14 -1.12 0.04 0.00 0.00 177.00 176.47 1y0l s SER 120 N -3.65 5.89 -0.39 6.66 0.01 -0.30 -4.92 113.70 116.99 1y0l s SER 120 Ca 0.46 0.04 -0.13 0.00 1.31 0.00 0.00 55.95 57.63 1y0l s SER 120 Cb -0.10 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.09 1y0l s SER 120 CO 0.37 0.05 0.25 -0.69 0.41 0.00 0.00 173.24 173.62 1y0l s VAL 121 N 1.17 4.91 -0.02 3.43 1.01 -1.26 -1.68 120.40 127.96 1y0l s VAL 121 Ca 0.07 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1y0l s VAL 121 Cb -0.14 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1y0l s VAL 121 CO 0.05 -0.25 -0.02 -0.36 0.00 0.00 0.00 175.10 174.52 1y0l s PHE 122 N 1.62 3.03 0.25 5.22 0.08 -0.08 -4.94 117.98 123.16 1y0l s PHE 122 Ca 0.04 0.06 -0.25 0.00 0.12 0.00 0.00 56.93 56.90 1y0l s PHE 122 Cb -0.19 -1.67 -0.09 0.00 -0.57 0.00 0.00 43.02 40.50 1y0l s PHE 122 CO 0.08 0.43 0.85 -1.25 -0.10 0.00 0.00 175.22 175.23 1y0l s PRO 123 N -1.39 4.52 -0.89 0.24 0.04 -1.26 0.08 135.00 136.34 1y0l s PRO 123 Ca 0.18 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 1y0l s PRO 123 Cb -0.11 -2.97 0.22 0.00 0.04 0.00 0.00 34.50 31.68 1y0l s PRO 123 CO 0.08 0.40 0.79 -0.51 0.04 0.00 0.00 177.00 177.79 1y0l s LEU 124 N -1.76 5.67 0.47 -3.56 1.43 0.32 -4.85 118.68 116.40 1y0l s LEU 124 Ca 0.44 -3.56 -0.24 0.00 -1.03 0.00 0.00 54.13 49.74 1y0l s LEU 124 Cb -0.20 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.99 1y0l s LEU 124 CO 0.24 -0.23 1.23 0.00 0.23 0.00 0.00 176.35 177.82 1y0l n ALA 125 N 2.58 1.13 -2.00 4.21 0.00 -1.26 -1.71 120.51 123.46 1y0l n ALA 125 Ca 0.20 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 1y0l n ALA 125 Cb 0.38 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 1y0l n ALA 125 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1y0l s PRO 126 N -2.40 4.22 0.01 0.00 0.02 -1.26 -4.86 135.00 130.73 1y0l s PRO 126 Ca 0.65 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 1y0l s PRO 126 Cb -0.48 -3.59 -0.07 0.00 0.02 0.00 0.00 34.50 30.38 1y0l s PRO 126 CO 0.55 -0.70 1.62 0.45 -0.33 0.00 0.00 177.00 178.59 1y0l s SER 127 N 2.28 6.67 0.61 2.53 0.15 -1.26 -4.62 113.70 120.04 1y0l s SER 127 Ca 0.71 2.34 0.40 0.00 0.70 0.00 0.00 55.95 60.10 1y0l s SER 127 Cb -0.38 -2.55 1.98 0.00 -1.71 0.00 0.00 66.02 63.37 1y0l s SER 127 CO 0.31 -0.88 2.20 0.77 1.20 0.00 0.00 173.24 176.84 1y0l h SER 128 N 8.73 0.00 0.03 5.45 4.64 -1.94 -2.38 113.55 128.08 1y0l h SER 128 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1y0l h SER 128 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1y0l h SER 128 CO 0.93 0.00 -0.23 2.29 -0.87 0.00 0.00 176.83 178.96 1y0l n LYS 129 N -3.04 1.51 -1.55 4.77 -0.00 -1.26 -4.89 118.16 113.70 1y0l n LYS 129 Ca -0.02 -1.14 -0.21 0.00 -0.00 0.00 0.00 58.31 56.94 1y0l n LYS 129 Cb 0.16 -1.48 -0.08 0.00 -0.00 0.00 0.00 35.03 33.63 1y0l n LYS 129 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1y0l n SER 130 N 0.25 1.55 -1.46 -5.58 7.64 -0.90 -4.72 113.62 110.40 1y0l n SER 130 Ca 0.13 -1.06 -0.09 0.00 1.01 0.00 0.00 58.87 58.86 1y0l n SER 130 Cb 0.46 -1.50 0.20 0.00 -1.01 0.00 0.00 64.21 62.37 1y0l n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1y0l n THR 133 N 8.20 2.72 -0.90 0.44 -2.24 -1.26 -4.36 114.28 116.89 1y0l n THR 133 Ca 0.47 -2.46 -0.42 0.00 -2.27 0.00 0.00 64.05 59.38 1y0l n THR 133 Cb 0.41 -0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 1y0l n THR 133 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1y0l n SER 134 N -1.06 2.09 -0.94 3.42 7.64 -1.25 -3.39 113.62 120.12 1y0l n SER 134 Ca 0.40 -2.59 -0.10 0.00 1.01 0.00 0.00 58.87 57.59 1y0l n SER 134 Cb 1.21 -0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 63.48 1y0l n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y0l n GLY 135 N 4.62 0.47 1.81 0.23 0.00 -1.26 -2.17 105.19 108.89 1y0l n GLY 135 Ca 0.47 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1y0l n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y0l n GLY 136 N -1.36 0.51 3.67 -0.02 0.00 -1.22 -5.03 105.19 101.76 1y0l n GLY 136 Ca -0.11 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1y0l n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y0l s THR 137 N -2.00 5.28 0.20 2.61 2.01 -0.92 -0.82 115.64 122.00 1y0l s THR 137 Ca 0.00 0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.52 1y0l s THR 137 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1y0l s THR 137 CO 0.00 0.31 0.15 0.00 -0.69 0.00 0.00 174.62 174.39 1y0l s ALA 138 N 1.09 3.56 -0.01 7.40 0.00 0.34 -3.91 121.76 130.22 1y0l s ALA 138 Ca 0.14 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1y0l s ALA 138 Cb -0.14 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1y0l s ALA 138 CO 0.06 0.40 -0.03 0.00 0.00 0.00 0.00 175.76 176.18 1y0l s ALA 139 N -1.91 0.39 0.15 0.00 0.00 -1.26 -1.36 121.76 117.76 1y0l s ALA 139 Ca 0.32 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 1y0l s ALA 139 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1y0l s ALA 139 CO 0.24 0.04 0.22 -0.48 0.00 0.00 0.00 175.76 175.79 1y0l s LEU 140 N 0.26 1.19 0.00 0.00 0.05 -0.90 -4.11 118.68 115.17 1y0l s LEU 140 Ca -0.03 -0.93 0.00 0.00 0.05 0.00 0.00 54.13 53.22 1y0l s LEU 140 Cb -0.06 0.97 0.00 0.00 -2.05 0.00 0.00 46.19 45.06 1y0l s LEU 140 CO -0.00 -0.84 0.00 0.61 -0.55 0.00 0.00 176.35 175.56 1y0l n GLY 141 N -0.17 1.07 3.02 -3.48 0.00 -0.69 -0.59 105.19 104.33 1y0l n GLY 141 Ca -0.08 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 1y0l n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0l s LEU 143 N -0.01 4.23 -0.44 0.00 2.96 0.11 -1.35 118.68 124.18 1y0l s LEU 143 Ca 0.00 -0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 53.05 1y0l s LEU 143 Cb -0.06 -1.97 0.06 0.00 0.50 0.00 0.00 46.19 44.72 1y0l s LEU 143 CO 0.00 -0.25 0.32 -0.69 -1.32 0.00 0.00 176.35 174.41 1y0l s VAL 144 N 1.56 4.86 0.14 1.68 1.01 0.30 -0.91 120.40 129.05 1y0l s VAL 144 Ca 0.03 -1.08 0.09 0.00 0.00 0.00 0.00 61.98 61.02 1y0l s VAL 144 Cb -0.18 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1y0l s VAL 144 CO 0.05 -0.48 -0.20 -0.75 0.00 0.00 0.00 175.10 173.72 1y0l s LYS 145 N 1.57 1.25 -0.85 2.72 2.20 -0.67 -0.35 119.74 125.61 1y0l s LYS 145 Ca 0.04 -1.33 -0.03 0.00 -0.36 0.00 0.00 55.97 54.28 1y0l s LYS 145 Cb -0.23 -1.41 -0.01 0.00 -1.51 0.00 0.00 37.83 34.67 1y0l s LYS 145 CO 0.06 0.30 0.73 -0.25 -0.36 0.00 0.00 175.35 175.84 1y0l n ASP 146 N 0.58 -6.89 -4.28 1.43 8.00 -0.27 -1.15 116.55 113.98 1y0l n ASP 146 Ca -0.15 -0.42 -0.15 0.00 0.71 0.00 0.00 54.79 54.77 1y0l n ASP 146 Cb 0.56 -4.53 -0.10 0.00 -0.02 0.00 0.00 41.12 37.02 1y0l n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1y0l s TYR 147 N -3.12 1.38 -0.28 1.24 -0.85 -1.00 -4.22 117.35 110.49 1y0l s TYR 147 Ca 0.13 -0.84 -0.21 0.00 -0.52 0.00 0.00 57.07 55.64 1y0l s TYR 147 Cb -0.03 -0.75 0.13 0.00 0.38 0.00 0.00 41.96 41.69 1y0l s TYR 147 CO 0.78 0.02 0.97 0.12 -1.52 0.00 0.00 175.55 175.92 1y0l s PHE 148 N -3.38 -0.57 0.00 -3.49 2.19 -0.87 -0.84 117.98 111.02 1y0l s PHE 148 Ca 0.22 1.26 0.00 0.00 0.33 0.00 0.00 56.93 58.74 1y0l s PHE 148 Cb 0.04 0.38 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 1y0l s PHE 148 CO 0.04 -0.28 0.00 -0.35 1.83 0.00 0.00 175.22 176.46 1y0l n PRO 149 N 2.97 1.86 -1.87 10.12 -0.04 -1.26 -0.63 135.00 146.15 1y0l n PRO 149 Ca -0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 1y0l n PRO 149 Cb 0.57 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.06 1y0l n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1y0l s GLU 150 N 0.51 3.11 0.52 0.54 0.41 -1.26 -4.76 118.70 117.76 1y0l s GLU 150 Ca 0.00 1.19 0.02 0.00 -0.41 0.00 0.00 54.97 55.77 1y0l s GLU 150 Cb 0.00 -2.00 -0.00 0.00 -1.78 0.00 0.00 34.13 30.34 1y0l s GLU 150 CO 0.00 -0.98 0.07 -1.25 -0.49 0.00 0.00 175.26 172.61 1y0l s PRO 151 N -4.28 2.21 0.13 0.39 0.04 -1.26 -4.90 135.00 127.32 1y0l s PRO 151 Ca 0.63 -2.35 0.08 0.00 0.04 0.00 0.00 61.00 59.41 1y0l s PRO 151 Cb -0.16 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1y0l s PRO 151 CO 0.42 -0.41 -0.19 0.54 0.04 0.00 0.00 177.00 177.40 1y0l s VAL 152 N -2.86 1.73 0.00 -0.36 0.11 -1.26 -4.48 120.40 113.28 1y0l s VAL 152 Ca 0.10 -1.71 0.07 0.00 -2.93 0.00 0.00 61.98 57.51 1y0l s VAL 152 Cb 0.01 -1.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.16 1y0l s VAL 152 CO 0.06 -0.19 -0.21 0.42 -3.33 0.00 0.00 175.10 171.84 1y0l s THR 153 N -1.59 2.50 -0.03 5.04 -4.23 0.11 -4.96 115.64 112.48 1y0l s THR 153 Ca 0.10 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.54 1y0l s THR 153 Cb -0.08 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.80 1y0l s THR 153 CO 0.05 0.48 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.83 1y0l s VAL 154 N -0.76 0.80 0.07 2.29 1.01 -1.26 -1.22 120.40 121.33 1y0l s VAL 154 Ca 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1y0l s VAL 154 Cb -0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1y0l s VAL 154 CO 0.02 0.26 0.06 -0.94 0.00 0.00 0.00 175.10 174.50 1y0l s SER 156 N 0.31 0.33 -0.09 3.32 1.04 -0.53 -4.97 113.70 113.11 1y0l s SER 156 Ca -0.05 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.52 1y0l s SER 156 Cb -0.10 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1y0l s SER 156 CO 0.01 -0.66 -0.20 0.26 0.98 0.00 0.00 173.24 173.63 1y0l s TRP 157 N -3.91 2.63 -1.23 5.02 0.52 -1.26 0.13 118.94 120.83 1y0l s TRP 157 Ca 0.08 -0.75 -0.06 0.00 0.02 0.00 0.00 56.10 55.39 1y0l s TRP 157 Cb 0.07 -1.72 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 1y0l s TRP 157 CO -0.09 -0.24 0.74 0.09 0.02 0.00 0.00 176.95 177.47 1y0l n ASN 162 N 3.26 -2.86 -2.50 2.95 3.02 0.87 -1.81 115.26 118.20 1y0l n ASN 162 Ca -0.18 -0.86 -0.10 0.00 -0.03 0.00 0.00 54.58 53.41 1y0l n ASN 162 Cb 0.53 -4.03 -0.00 0.00 -0.61 0.00 0.00 39.78 35.66 1y0l n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1y0l n SER 163 N -2.99 -3.30 0.00 6.41 7.64 -1.26 -0.63 113.62 119.49 1y0l n SER 163 Ca -0.22 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1y0l n SER 163 Cb 0.65 -2.83 0.00 0.00 -1.01 0.00 0.00 64.21 61.02 1y0l n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y0l n GLY 164 N -0.76 0.45 0.29 0.23 0.00 -0.75 -4.95 105.19 99.70 1y0l n GLY 164 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1y0l n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0l h ALA 165 N 0.00 0.81 -2.61 4.61 0.00 -0.76 -3.40 119.26 117.90 1y0l h ALA 165 Ca 0.00 -0.24 -0.67 0.00 0.00 0.00 0.00 54.91 54.00 1y0l h ALA 165 Cb 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 17.79 17.38 1y0l h ALA 165 CO 0.00 0.52 -0.35 -1.17 0.00 0.00 0.00 179.25 178.26 1y0l s LEU 166 N -9.56 4.54 0.00 0.00 2.96 -1.00 -4.85 118.68 110.77 1y0l s LEU 166 Ca -0.12 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1y0l s LEU 166 Cb 0.13 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.55 1y0l s LEU 166 CO 0.82 -0.33 0.00 0.35 -1.32 0.00 0.00 176.35 175.87 1y0l n THR 167 N 5.21 0.00 -2.77 3.68 -2.24 -1.26 -4.10 114.28 112.79 1y0l n THR 167 Ca -0.10 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1y0l n THR 167 Cb 0.49 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1y0l n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1y0l s SER 168 N -0.83 7.23 0.00 3.42 0.15 -1.26 -3.32 113.70 119.09 1y0l s SER 168 Ca 0.00 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1y0l s SER 168 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1y0l s SER 168 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1y0l n GLY 169 N 3.05 0.67 3.81 9.45 0.00 -1.26 -4.81 105.19 116.09 1y0l n GLY 169 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1y0l n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y0l s VAL 171 N -2.10 4.85 -0.17 1.61 1.01 -1.21 -2.79 120.40 121.59 1y0l s VAL 171 Ca 0.00 1.12 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 1y0l s VAL 171 Cb 0.00 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1y0l s VAL 171 CO 0.00 0.53 0.03 -1.00 0.00 0.00 0.00 175.10 174.66 1y0l s HIS 172 N -0.89 0.96 -0.30 5.22 3.76 0.30 -5.00 115.29 119.34 1y0l s HIS 172 Ca 0.28 -0.73 -0.07 0.00 -0.15 0.00 0.00 55.06 54.40 1y0l s HIS 172 Cb -0.18 -0.99 0.01 0.00 1.11 0.00 0.00 32.58 32.53 1y0l s HIS 172 CO 0.17 -0.56 0.08 0.99 -0.85 0.00 0.00 174.74 174.57 1y0l s THR 173 N 1.88 3.89 0.51 1.30 2.01 -1.26 -0.88 115.64 123.08 1y0l s THR 173 Ca 0.00 -0.77 -0.19 0.00 0.31 0.00 0.00 61.69 61.04 1y0l s THR 173 Cb -0.16 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.24 1y0l s THR 173 CO -0.08 0.05 1.02 -0.36 -0.69 0.00 0.00 174.62 174.56 1y0l s PHE 174 N 1.48 3.11 0.32 4.92 0.08 -0.22 -5.00 117.98 122.67 1y0l s PHE 174 Ca 0.02 1.55 -0.29 0.00 0.12 0.00 0.00 56.93 58.33 1y0l s PHE 174 Cb -0.17 -2.98 -0.10 0.00 -0.57 0.00 0.00 43.02 39.20 1y0l s PHE 174 CO 0.02 -0.71 1.36 -1.25 -0.10 0.00 0.00 175.22 174.55 1y0l s PRO 175 N -3.54 4.30 0.66 0.24 0.04 -1.26 -4.51 135.00 130.93 1y0l s PRO 175 Ca 0.64 2.29 -0.17 0.00 0.04 0.00 0.00 61.00 63.80 1y0l s PRO 175 Cb -0.14 -3.07 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 1y0l s PRO 175 CO 0.24 -0.29 1.24 0.00 0.04 0.00 0.00 177.00 178.23 1y0l s ALA 176 N -0.87 2.35 0.01 8.56 0.00 -1.26 -4.86 121.76 125.70 1y0l s ALA 176 Ca 0.52 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.59 1y0l s ALA 176 Cb -0.41 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1y0l s ALA 176 CO 0.52 -1.54 -0.23 0.14 0.00 0.00 0.00 175.76 174.65 1y0l s VAL 177 N -1.66 2.33 -0.43 0.00 -7.23 0.09 -4.93 120.40 108.57 1y0l s VAL 177 Ca 0.78 -1.19 -0.23 0.00 -1.81 0.00 0.00 61.98 59.53 1y0l s VAL 177 Cb -0.32 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1y0l s VAL 177 CO 0.39 0.46 0.78 -0.22 -0.31 0.00 0.00 175.10 176.20 1y0l s LEU 178 N -1.01 4.22 0.76 1.32 2.96 -1.26 -1.81 118.68 123.87 1y0l s LEU 178 Ca 0.12 0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.92 1y0l s LEU 178 Cb -0.10 -2.97 0.05 0.00 0.50 0.00 0.00 46.19 43.67 1y0l s LEU 178 CO 0.01 -0.86 1.10 -1.10 -1.32 0.00 0.00 176.35 174.18 1y0l s GLN 179 N 3.22 2.37 0.37 1.98 -0.21 -0.29 -4.92 119.66 122.18 1y0l s GLN 179 Ca 0.30 0.56 0.07 0.00 0.02 0.00 0.00 55.36 56.31 1y0l s GLN 179 Cb -0.12 -1.96 0.79 0.00 1.00 0.00 0.00 33.01 32.72 1y0l s GLN 179 CO 0.21 -1.40 1.95 0.66 -2.12 0.00 0.00 175.29 174.58 1y0l h SER 180 N -0.93 0.63 0.00 5.90 4.64 -1.96 -0.22 113.55 121.60 1y0l h SER 180 Ca -0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1y0l h SER 180 Cb 1.26 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1y0l h SER 180 CO 0.61 0.39 0.01 -1.54 -0.87 0.00 0.00 176.83 175.43 1y0l n SER 182 N -4.49 0.31 0.00 4.97 3.41 -1.26 -4.78 113.62 111.78 1y0l n SER 182 Ca 0.12 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1y0l n SER 182 Cb 0.28 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1y0l n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y0l n GLY 183 N -1.39 0.75 3.64 5.00 0.00 -0.09 -5.06 105.19 108.03 1y0l n GLY 183 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1y0l n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y0l s LEU 184 N 0.00 3.28 0.51 0.99 1.43 -1.25 -4.89 118.68 118.74 1y0l s LEU 184 Ca 0.00 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1y0l s LEU 184 Cb 0.00 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1y0l s LEU 184 CO 0.00 0.20 0.83 -0.31 0.23 0.00 0.00 176.35 177.29 1y0l s TYR 185 N -1.22 3.56 -0.12 0.29 2.02 -0.02 -1.14 117.35 120.71 1y0l s TYR 185 Ca 0.23 0.87 -0.24 0.00 -0.37 0.00 0.00 57.07 57.56 1y0l s TYR 185 Cb -0.11 -2.38 0.06 0.00 -0.40 0.00 0.00 41.96 39.12 1y0l s TYR 185 CO 0.15 -0.37 0.58 0.45 -1.57 0.00 0.00 175.55 174.80 1y0l s SER 186 N -4.13 -0.57 0.21 2.29 0.15 -0.75 -1.11 113.70 109.79 1y0l s SER 186 Ca 0.49 0.83 -0.18 0.00 0.70 0.00 0.00 55.95 57.79 1y0l s SER 186 Cb -0.10 0.81 0.03 0.00 -1.71 0.00 0.00 66.02 65.05 1y0l s SER 186 CO 0.46 -0.40 0.55 -1.48 1.20 0.00 0.00 173.24 173.57 1y0l s LEU 187 N -0.54 -0.01 0.10 3.45 0.05 0.53 -0.73 118.68 121.52 1y0l s LEU 187 Ca -0.07 -0.49 0.08 0.00 0.05 0.00 0.00 54.13 53.71 1y0l s LEU 187 Cb -0.03 2.24 -0.03 0.00 -2.05 0.00 0.00 46.19 46.31 1y0l s LEU 187 CO 0.05 -1.09 -0.20 -0.44 -0.55 0.00 0.00 176.35 174.12 1y0l s SER 188 N -2.88 2.42 -0.07 1.48 0.01 -1.26 -0.54 113.70 112.87 1y0l s SER 188 Ca 0.10 -0.67 -0.00 0.00 1.31 0.00 0.00 55.95 56.68 1y0l s SER 188 Cb -0.02 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.11 1y0l s SER 188 CO -0.02 0.04 -0.02 -0.55 0.41 0.00 0.00 173.24 173.11 1y0l s SER 189 N -1.85 1.41 0.26 2.44 0.15 -0.46 -1.06 113.70 114.58 1y0l s SER 189 Ca 0.05 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.64 1y0l s SER 189 Cb -0.10 -0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 1y0l s SER 189 CO 0.04 -0.13 -0.07 0.68 1.20 0.00 0.00 173.24 174.96 1y0l s VAL 190 N 1.55 1.56 -0.20 4.45 -7.23 -0.06 0.04 120.40 120.51 1y0l s VAL 190 Ca -0.01 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 57.92 1y0l s VAL 190 Cb -0.13 -2.35 0.07 0.00 0.56 0.00 0.00 36.38 34.53 1y0l s VAL 190 CO -0.04 -0.37 0.49 0.54 -0.31 0.00 0.00 175.10 175.42 1y0l s VAL 191 N -3.07 -0.05 0.19 1.32 0.11 0.24 -0.54 120.40 118.60 1y0l s VAL 191 Ca 0.28 0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.33 1y0l s VAL 191 Cb 0.03 -0.72 -0.06 0.00 -1.53 0.00 0.00 36.38 34.09 1y0l s VAL 191 CO 0.10 0.03 0.46 0.42 -3.33 0.00 0.00 175.10 172.78 1y0l s THR 192 N 1.52 5.05 0.02 5.04 -4.23 -1.12 -2.11 115.64 119.81 1y0l s THR 192 Ca -0.09 0.23 -0.22 0.00 -1.18 0.00 0.00 61.69 60.42 1y0l s THR 192 Cb -0.08 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 70.18 1y0l s THR 192 CO -0.15 -0.03 0.50 0.68 -0.54 0.00 0.00 174.62 175.08 1y0l s VAL 193 N -1.76 0.03 0.16 2.29 -7.23 -0.47 -4.83 120.40 108.60 1y0l s VAL 193 Ca 0.44 -0.27 -0.32 0.00 -1.81 0.00 0.00 61.98 60.03 1y0l s VAL 193 Cb -0.12 -0.92 -0.10 0.00 0.56 0.00 0.00 36.38 35.81 1y0l s VAL 193 CO 0.23 -0.15 1.57 -2.16 -0.31 0.00 0.00 175.10 174.29 1y0l s PRO 194 N -2.02 4.21 0.59 4.82 0.04 -1.26 -0.51 135.00 140.87 1y0l s PRO 194 Ca -0.08 2.37 0.36 0.00 0.04 0.00 0.00 61.00 63.69 1y0l s PRO 194 Cb -0.01 -3.16 1.81 0.00 0.04 0.00 0.00 34.50 33.17 1y0l s PRO 194 CO 0.02 -0.61 2.17 0.66 0.04 0.00 0.00 177.00 179.27 1y0l h SER 195 N 6.84 0.00 0.00 6.66 4.64 -1.28 -1.69 113.55 128.71 1y0l h SER 195 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1y0l h SER 195 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1y0l h SER 195 CO 0.92 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.37 1y0l n SER 196 N -3.28 0.00 0.00 4.97 3.41 -1.26 -1.89 113.62 115.57 1y0l n SER 196 Ca -0.02 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1y0l n SER 196 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1y0l n SER 196 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y0l n SER 197 N -0.78 0.95 0.31 4.04 3.41 -0.64 -4.72 113.62 116.20 1y0l n SER 197 Ca 0.09 -1.00 0.20 0.00 -0.26 0.00 0.00 58.87 57.89 1y0l n SER 197 Cb 0.04 0.00 1.05 0.00 -0.26 0.00 0.00 64.21 65.04 1y0l n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1y0l h LEU 198 N 0.00 0.00 0.18 1.04 3.38 -1.45 -2.28 115.31 116.18 1y0l h LEU 198 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1y0l h LEU 198 Cb 0.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.80 1y0l h LEU 198 CO 0.00 0.00 -1.35 1.23 0.09 0.00 0.00 178.44 178.41 1y0l h GLY 199 N 0.00 0.44 0.66 0.83 0.00 -1.84 -3.36 103.07 99.79 1y0l h GLY 199 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.21 1y0l h GLY 199 CO 0.00 0.98 -0.04 -1.30 0.00 0.00 0.00 176.54 176.17 1y0l n THR 200 N -3.85 0.00 -4.67 4.70 -2.24 -0.88 -4.89 114.28 102.45 1y0l n THR 200 Ca -0.20 -0.08 -0.25 0.00 -2.27 0.00 0.00 64.05 61.26 1y0l n THR 200 Cb 0.98 -0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 68.93 1y0l n THR 200 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1y0l s GLN 203 N -2.22 1.63 0.23 -0.78 -1.52 -1.06 -5.13 119.66 110.81 1y0l s GLN 203 Ca 0.37 -0.49 -0.09 0.00 -1.95 0.00 0.00 55.36 53.20 1y0l s GLN 203 Cb 0.21 -1.39 -0.07 0.00 -0.22 0.00 0.00 33.01 31.53 1y0l s GLN 203 CO 0.41 0.14 0.54 0.99 -0.25 0.00 0.00 175.29 177.12 1y0l s THR 205 N 0.31 4.94 -0.08 -0.19 2.01 -1.26 -4.89 115.64 116.48 1y0l s THR 205 Ca -0.08 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.34 1y0l s THR 205 Cb -0.13 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.80 1y0l s THR 205 CO 0.03 -0.08 0.04 -0.31 -0.69 0.00 0.00 174.62 173.61 1y0l s TYR 206 N -1.82 0.39 -0.06 4.92 2.02 -1.26 -5.01 117.35 116.53 1y0l s TYR 206 Ca 0.47 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 57.12 1y0l s TYR 206 Cb -0.11 -0.68 0.01 0.00 -0.40 0.00 0.00 41.96 40.78 1y0l s TYR 206 CO 0.22 -0.32 -0.16 0.42 -1.57 0.00 0.00 175.55 174.14 1y0l s ILE 207 N 2.06 1.37 -0.19 2.71 1.01 -1.26 -0.75 121.20 126.16 1y0l s ILE 207 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 1y0l s ILE 207 Cb -0.13 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 1y0l s ILE 207 CO -0.05 0.40 0.12 0.00 0.00 0.00 0.00 174.94 175.41 1y0l s ASN 209 N 0.24 5.91 -0.12 0.00 -0.87 0.34 -1.99 114.94 118.45 1y0l s ASN 209 Ca 0.08 -0.70 -0.05 0.00 -1.57 0.00 0.00 52.86 50.62 1y0l s ASN 209 Cb -0.11 -2.09 -0.04 0.00 -0.02 0.00 0.00 41.25 38.99 1y0l s ASN 209 CO -0.01 -0.32 0.06 -0.69 -2.57 0.00 0.00 177.10 173.57 1y0l s VAL 210 N 1.65 4.79 -0.04 1.60 1.01 0.16 -1.45 120.40 128.11 1y0l s VAL 210 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1y0l s VAL 210 Cb -0.18 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.15 1y0l s VAL 210 CO 0.09 0.57 -0.01 0.21 0.00 0.00 0.00 175.10 175.96 1y0l s ASN 211 N -0.61 0.90 -0.41 3.32 2.47 -0.36 -0.68 114.94 119.57 1y0l s ASN 211 Ca 0.11 -0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.34 1y0l s ASN 211 Cb -0.12 -0.34 0.13 0.00 -1.45 0.00 0.00 41.25 39.46 1y0l s ASN 211 CO 0.02 -0.11 0.20 -2.28 -3.72 0.00 0.00 177.10 171.21 1y0l s HIS 212 N 1.25 2.05 0.13 0.43 5.65 0.41 -0.71 115.29 124.49 1y0l s HIS 212 Ca -0.06 -2.33 -0.20 0.00 0.25 0.00 0.00 55.06 52.72 1y0l s HIS 212 Cb -0.13 -1.93 -0.03 0.00 -1.18 0.00 0.00 32.58 29.30 1y0l s HIS 212 CO -0.02 -0.81 1.71 0.87 -0.65 0.00 0.00 174.74 175.84 1y0l h LYS 213 N 7.06 0.01 -1.82 2.88 1.79 -1.79 -0.91 116.57 123.80 1y0l h LYS 213 Ca -0.04 -0.00 0.54 0.00 -2.18 0.00 0.00 60.65 58.97 1y0l h LYS 213 Cb 0.95 -0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.52 1y0l h LYS 213 CO 0.49 0.00 1.30 -1.35 -1.08 0.00 0.00 179.45 178.81 1y0l h PRO 214 N 0.01 0.01 0.00 3.15 0.11 -1.92 0.77 132.00 134.13 1y0l h PRO 214 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1y0l h PRO 214 Cb 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1y0l h PRO 214 CO -0.19 0.00 -0.00 -1.13 -0.21 0.00 0.00 178.00 176.47 1y0l n SER 215 N -4.06 2.20 -4.16 -2.05 3.41 -1.06 -4.92 113.62 102.98 1y0l n SER 215 Ca 0.42 -2.64 -0.32 0.00 -0.26 0.00 0.00 58.87 56.08 1y0l n SER 215 Cb 1.88 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 65.53 1y0l n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y0l n ASN 216 N -1.05 -1.28 -4.57 4.04 4.13 0.27 -4.90 115.26 111.90 1y0l n ASN 216 Ca 0.09 -1.07 -0.34 0.00 1.68 0.00 0.00 54.58 54.94 1y0l n ASN 216 Cb 0.48 -2.59 -0.11 0.00 -1.54 0.00 0.00 39.78 36.01 1y0l n ASN 216 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1y0l s THR 217 N -3.74 4.18 -0.08 3.41 2.01 -0.40 -5.01 115.64 116.01 1y0l s THR 217 Ca 0.33 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1y0l s THR 217 Cb -0.18 -2.83 0.03 0.00 0.01 0.00 0.00 72.50 69.53 1y0l s THR 217 CO 0.93 0.51 0.01 -0.54 -0.69 0.00 0.00 174.62 174.84 1y0l s LYS 218 N 0.09 0.58 -0.02 4.92 1.02 -1.26 -0.45 119.74 124.61 1y0l s LYS 218 Ca 0.01 0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.13 1y0l s LYS 218 Cb -0.13 -1.02 -0.01 0.00 -0.52 0.00 0.00 37.83 36.15 1y0l s LYS 218 CO 0.02 -0.33 -0.13 0.08 -0.92 0.00 0.00 175.35 174.07 1y0l s VAL 219 N 1.98 1.09 -0.32 3.17 1.01 0.15 -5.00 120.40 122.48 1y0l s VAL 219 Ca 0.05 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1y0l s VAL 219 Cb -0.13 -0.92 0.09 0.00 0.00 0.00 0.00 36.38 35.42 1y0l s VAL 219 CO -0.05 0.31 0.05 -1.81 0.00 0.00 0.00 175.10 173.60 1y0l s ASP 220 N -0.13 4.44 -0.18 3.32 1.01 -1.26 0.37 116.67 124.24 1y0l s ASP 220 Ca 0.02 -1.86 -0.08 0.00 0.71 0.00 0.00 52.55 51.33 1y0l s ASP 220 Cb -0.07 -1.35 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 1y0l s ASP 220 CO 0.00 -0.37 0.09 -0.75 0.21 0.00 0.00 175.17 174.36 1y0l s LYS 221 N 1.17 3.96 -0.13 8.23 2.47 -0.84 -4.93 119.74 129.69 1y0l s LYS 221 Ca 0.08 -0.28 -0.19 0.00 -1.56 0.00 0.00 55.97 54.02 1y0l s LYS 221 Cb -0.19 -3.27 -0.04 0.00 -1.46 0.00 0.00 37.83 32.87 1y0l s LYS 221 CO -0.13 0.35 0.50 0.21 0.16 0.00 0.00 175.35 176.45 1y0l s LYS 222 N 0.17 4.32 -0.28 4.03 2.20 -1.26 -1.34 119.74 127.58 1y0l s LYS 222 Ca 0.07 0.48 -0.09 0.00 -0.36 0.00 0.00 55.97 56.07 1y0l s LYS 222 Cb -0.12 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1y0l s LYS 222 CO -0.00 0.10 0.12 0.08 -0.36 0.00 0.00 175.35 175.28 1y0l s VAL 223 N 0.81 4.56 0.25 4.02 1.01 0.07 -4.96 120.40 126.16 1y0l s VAL 223 Ca 0.27 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1y0l s VAL 223 Cb -0.15 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1y0l s VAL 223 CO 0.11 0.22 -0.13 -1.61 0.00 0.00 0.00 175.10 173.69 1y0l s GLU 226 N 1.63 1.49 0.02 2.72 2.02 -1.26 -4.42 118.70 120.90 1y0l s GLU 226 Ca 0.06 -1.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.04 1y0l s GLU 226 Cb -0.16 -1.29 -0.05 0.00 0.10 0.00 0.00 34.13 32.73 1y0l s GLU 226 CO 0.06 0.17 1.27 -2.14 0.02 0.00 0.00 175.26 174.63 1y0l s PRO 227 N -3.64 4.36 0.31 0.39 0.02 -1.26 -4.45 135.00 130.73 1y0l s PRO 227 Ca 0.26 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 62.82 1y0l s PRO 227 Cb -0.00 -3.45 -0.11 0.00 0.02 0.00 0.00 34.50 30.97 1y0l s PRO 227 CO 0.10 -0.40 1.46 0.21 -0.33 0.00 0.00 177.00 178.04 1y0l s LYS 228 N 1.69 4.22 0.30 5.54 2.20 -1.26 -4.98 119.74 127.44 1y0l s LYS 228 Ca 0.60 2.41 -0.14 0.00 -0.36 0.00 0.00 55.97 58.48 1y0l s LYS 228 Cb -0.30 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 32.89 1y0l s LYS 228 CO 0.27 -0.44 0.69 0.45 -0.36 0.00 0.00 175.35 175.95 1y0l s SER 232 N 0.09 6.74 0.00 1.43 0.15 -1.26 -5.01 113.70 115.84 1y0l s SER 232 Ca 0.56 1.19 0.13 0.00 0.70 0.00 0.00 55.95 58.54 1y0l s SER 232 Cb -0.44 -2.34 0.10 0.00 -1.71 0.00 0.00 66.02 61.64 1y0l s SER 232 CO 0.51 -0.17 0.92 0.00 1.20 0.00 0.00 173.24 175.70