#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0l s VAL 2 N 0.00 3.52 -0.05 6.31 1.01 -1.26 -3.90 120.40 126.03 1y0l s VAL 2 Ca 0.00 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.91 1y0l s VAL 2 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1y0l s VAL 2 CO 0.00 -0.01 -0.14 -0.54 0.00 0.00 0.00 175.10 174.41 1y0l s LYS 3 N 2.62 1.66 -0.19 2.72 1.02 0.51 -4.99 119.74 123.10 1y0l s LYS 3 Ca 0.67 -0.47 -0.01 0.00 0.02 0.00 0.00 55.97 56.18 1y0l s LYS 3 Cb -0.34 -1.40 0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1y0l s LYS 3 CO 0.28 0.10 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.29 1y0l s LEU 4 N 0.41 1.63 -0.24 3.17 1.43 -1.26 -1.75 118.68 122.07 1y0l s LEU 4 Ca -0.10 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 1y0l s LEU 4 Cb -0.14 -0.84 0.04 0.00 0.03 0.00 0.00 46.19 45.29 1y0l s LEU 4 CO 0.03 -0.24 -0.12 -0.22 0.23 0.00 0.00 176.35 176.03 1y0l s LEU 5 N 1.68 3.05 0.34 1.79 2.96 -0.40 -4.26 118.68 123.84 1y0l s LEU 5 Ca -0.01 -1.07 -0.08 0.00 -0.22 0.00 0.00 54.13 52.75 1y0l s LEU 5 Cb -0.17 -1.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.90 1y0l s LEU 5 CO -0.07 -0.13 0.66 -1.61 -1.32 0.00 0.00 176.35 173.88 1y0l s GLU 6 N 1.21 3.71 0.21 1.98 8.01 -1.26 -0.90 118.70 131.65 1y0l s GLU 6 Ca -0.03 0.24 -0.20 0.00 0.01 0.00 0.00 54.97 54.99 1y0l s GLU 6 Cb -0.17 -2.52 0.04 0.00 -4.31 0.00 0.00 34.13 27.16 1y0l s GLU 6 CO -0.07 0.10 0.59 -1.54 0.01 0.00 0.00 175.26 174.35 1y0l s SER 7 N -3.13 -0.34 0.00 -0.19 1.04 -0.56 -4.83 113.70 105.69 1y0l s SER 7 Ca 0.48 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1y0l s SER 7 Cb -0.11 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1y0l s SER 7 CO 0.30 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1y0l n GLY 8 N -0.38 0.61 3.74 7.32 0.00 -1.26 -1.22 105.19 114.00 1y0l n GLY 8 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.00 1.58 0.00 -0.02 0.00 -1.26 -4.72 107.32 101.89 1y0l s GLY 9 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1y0l s GLY 9 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.77 1y0l n GLY 10 N -1.82 0.04 3.71 0.20 0.00 0.71 -4.95 105.19 103.09 1y0l n GLY 10 Ca 0.07 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 4.29 0.13 0.99 2.96 -1.26 -0.85 118.68 124.94 1y0l s LEU 11 Ca 0.00 1.13 0.06 0.00 -0.22 0.00 0.00 54.13 55.10 1y0l s LEU 11 Cb 0.00 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 1y0l s LEU 11 CO 0.00 -0.13 -0.14 0.00 -1.32 0.00 0.00 176.35 174.75 1y0l s ALA 12 N 0.94 1.54 0.14 5.97 0.00 0.11 -4.95 121.76 125.51 1y0l s ALA 12 Ca 0.36 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 1y0l s ALA 12 Cb -0.17 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 1y0l s ALA 12 CO 0.17 0.11 0.60 -0.65 0.00 0.00 0.00 175.76 175.99 1y0l s GLN 13 N -2.69 4.15 0.33 0.00 -0.21 -1.26 -1.14 119.66 118.84 1y0l s GLN 13 Ca 0.10 0.70 -0.29 0.00 0.02 0.00 0.00 55.36 55.88 1y0l s GLN 13 Cb -0.05 -3.05 -0.12 0.00 1.00 0.00 0.00 33.01 30.79 1y0l s GLN 13 CO 0.03 0.53 1.41 -0.35 -2.12 0.00 0.00 175.29 174.79 1y0l n PRO 14 N 1.17 2.35 0.00 2.91 -0.04 -1.26 -0.81 135.00 139.32 1y0l n PRO 14 Ca -0.07 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1y0l n PRO 14 Cb 0.51 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 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 1.11 2.57 0.33 0.55 0.00 0.37 -4.90 105.19 105.23 1y0l n GLY 15 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.31 3.25 -0.02 0.00 0.01 -3.98 105.19 101.14 1y0l n GLY 16 Ca 0.00 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.46 1.92 -0.07 1.61 0.01 -1.26 -1.75 113.70 112.70 1y0l s SER 17 Ca 0.07 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 56.29 1y0l s SER 17 Cb -0.00 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.21 1y0l s SER 17 CO 0.05 -0.23 0.32 -0.22 0.41 0.00 0.00 173.24 173.56 1y0l s LEU 18 N -2.81 0.81 -0.20 2.44 2.96 0.88 -4.97 118.68 117.78 1y0l s LEU 18 Ca 0.13 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1y0l s LEU 18 Cb -0.01 1.18 0.03 0.00 0.50 0.00 0.00 46.19 47.89 1y0l s LEU 18 CO 0.02 -0.27 -0.18 -0.75 -1.32 0.00 0.00 176.35 173.85 1y0l s LYS 19 N -0.53 2.82 0.12 1.98 2.20 -1.26 0.37 119.74 125.44 1y0l s LYS 19 Ca -0.06 -0.95 0.02 0.00 -0.36 0.00 0.00 55.97 54.62 1y0l s LYS 19 Cb -0.04 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.60 1y0l s LYS 19 CO 0.02 -0.29 0.26 -0.51 -0.36 0.00 0.00 175.35 174.47 1y0l s LEU 20 N 1.25 4.32 0.20 5.43 1.43 0.48 -4.69 118.68 127.10 1y0l s LEU 20 Ca 0.02 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1y0l s LEU 20 Cb -0.15 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 1y0l s LEU 20 CO -0.11 0.09 0.07 -0.94 0.23 0.00 0.00 176.35 175.68 1y0l s SER 21 N -3.02 0.88 -0.13 2.29 1.04 -0.36 -1.44 113.70 112.97 1y0l s SER 21 Ca 0.34 -1.29 -0.07 0.00 0.48 0.00 0.00 55.95 55.41 1y0l s SER 21 Cb -0.12 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1y0l s SER 21 CO 0.28 -0.70 0.31 0.00 0.98 0.00 0.00 173.24 174.11 1y0l s ALA 23 N 1.27 3.59 0.09 0.00 0.00 -0.08 -1.38 121.76 125.25 1y0l s ALA 23 Ca -0.09 -0.71 0.10 0.00 0.00 0.00 0.00 51.96 51.26 1y0l s ALA 23 Cb -0.09 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1y0l s ALA 23 CO -0.10 0.20 -0.25 0.00 0.00 0.00 0.00 175.76 175.61 1y0l s ALA 24 N 0.27 2.40 0.19 0.00 0.00 -0.24 -1.28 121.76 123.09 1y0l s ALA 24 Ca 0.07 -1.35 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 1y0l s ALA 24 Cb -0.12 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.57 1y0l s ALA 24 CO -0.01 0.55 0.61 -1.54 0.00 0.00 0.00 175.76 175.37 1y0l s SER 25 N -1.70 -0.48 0.00 0.00 1.04 -0.72 -4.82 113.70 107.01 1y0l s SER 25 Ca 0.14 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1y0l s SER 25 Cb -0.10 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1y0l s SER 25 CO 0.05 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1y0l n GLY 26 N -0.39 0.56 3.84 7.32 0.00 -1.25 -0.36 105.19 114.90 1y0l n GLY 26 Ca -0.14 0.00 -0.07 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 -2.28 -0.14 -1.29 1.61 -0.71 -1.26 -3.80 117.98 110.11 1y0l s PHE 27 Ca 0.00 -0.31 -0.17 0.00 -1.04 0.00 0.00 56.93 55.41 1y0l s PHE 27 Cb 0.00 0.67 0.08 0.00 -1.21 0.00 0.00 43.02 42.56 1y0l s PHE 27 CO 0.00 -1.22 1.71 -3.47 -1.34 0.00 0.00 175.22 170.90 1y0l n ASP 28 N -0.46 4.97 -0.33 1.98 -0.08 -1.26 -4.84 116.55 116.53 1y0l n ASP 28 Ca -0.04 -2.93 0.09 0.00 -1.51 0.00 0.00 54.79 50.40 1y0l n ASP 28 Cb 0.59 -1.73 0.19 0.00 2.34 0.00 0.00 41.12 42.51 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 8.06 0.44 0.29 -0.67 7.35 -1.26 -0.39 117.46 131.29 1y0l n PHE 29 Ca 0.48 1.12 0.14 0.00 -0.76 0.00 0.00 57.45 58.42 1y0l n PHE 29 Cb 0.46 -1.10 0.74 0.00 0.35 0.00 0.00 39.48 39.93 1y0l n PHE 29 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1y0l h ARG 30 N 0.00 0.00 -0.43 -4.13 2.43 -1.88 -1.54 114.38 108.82 1y0l h ARG 30 Ca 0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1y0l h ARG 30 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1y0l h ARG 30 CO -0.91 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.09 1y0l n ARG 31 N -2.71 2.50 -4.50 0.20 1.74 0.48 -4.71 116.66 109.67 1y0l n ARG 31 Ca -0.02 -2.18 -0.28 0.00 -0.77 0.00 0.00 57.85 54.60 1y0l n ARG 31 Cb 0.33 -1.40 -0.13 0.00 -1.02 0.00 0.00 32.46 30.24 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 2.14 0.36 -1.55 1.51 -0.58 -4.91 117.35 113.22 1y0l s TYR 32 Ca 0.33 -0.39 -0.25 0.00 -1.01 0.00 0.00 57.07 55.74 1y0l s TYR 32 Cb 0.18 -1.20 -0.09 0.00 -0.11 0.00 0.00 41.96 40.74 1y0l s TYR 32 CO 0.24 0.24 1.01 -1.58 -1.11 0.00 0.00 175.55 174.34 1y0l s TRP 33 N -1.00 3.46 0.19 2.71 0.52 -1.25 -4.00 118.94 119.57 1y0l s TRP 33 Ca 0.11 1.70 0.10 0.00 0.02 0.00 0.00 56.10 58.03 1y0l s TRP 33 Cb -0.10 -3.04 -0.04 0.00 -1.15 0.00 0.00 33.47 29.14 1y0l s TRP 33 CO 0.04 -0.26 -0.20 -1.64 0.02 0.00 0.00 176.95 174.91 1y0l s MET 34 N -2.29 1.40 0.03 4.98 -1.94 -0.56 -1.87 119.30 119.06 1y0l s MET 34 Ca 0.54 -1.49 -0.01 0.00 -1.71 0.00 0.00 55.69 53.02 1y0l s MET 34 Cb -0.21 -1.56 -0.02 0.00 2.01 0.00 0.00 34.83 35.06 1y0l s MET 34 CO 0.26 0.32 -0.00 0.99 -0.01 0.00 0.00 175.02 176.58 1y0l s THR 35 N -1.96 0.14 -0.05 2.05 2.01 0.13 -1.46 115.64 116.50 1y0l s THR 35 Ca 0.19 -1.12 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1y0l s THR 35 Cb -0.06 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1y0l s THR 35 CO 0.09 -0.61 -0.21 0.26 -0.69 0.00 0.00 174.62 173.45 1y0l s TRP 36 N -2.14 2.50 0.01 4.92 0.52 -0.55 -0.33 118.94 123.88 1y0l s TRP 36 Ca -0.09 -0.43 -0.00 0.00 0.02 0.00 0.00 56.10 55.59 1y0l s TRP 36 Cb -0.05 -1.59 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 1y0l s TRP 36 CO -0.03 -0.02 -0.01 0.08 0.02 0.00 0.00 176.95 176.98 1y0l s VAL 37 N -0.48 0.08 0.16 4.03 1.01 -0.62 -1.40 120.40 123.18 1y0l s VAL 37 Ca 0.06 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1y0l s VAL 37 Cb -0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1y0l s VAL 37 CO 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 175.10 174.72 1y0l s ARG 38 N -1.01 1.09 -0.15 2.72 1.70 -0.24 0.11 118.95 123.16 1y0l s ARG 38 Ca -0.11 -1.50 -0.04 0.00 -0.47 0.00 0.00 55.73 53.61 1y0l s ARG 38 Cb -0.07 -0.43 0.06 0.00 -0.57 0.00 0.00 34.95 33.95 1y0l s ARG 38 CO -0.01 -0.04 0.13 -1.14 -1.08 0.00 0.00 175.30 173.16 1y0l s GLN 39 N -3.84 0.07 0.53 3.89 0.74 0.13 -0.74 119.66 120.45 1y0l s GLN 39 Ca 0.20 0.11 -0.09 0.00 0.05 0.00 0.00 55.36 55.64 1y0l s GLN 39 Cb 0.05 -1.36 -0.04 0.00 1.10 0.00 0.00 33.01 32.76 1y0l s GLN 39 CO 0.02 -0.59 0.89 0.00 -0.55 0.00 0.00 175.29 175.06 1y0l s ALA 40 N 2.20 3.26 0.21 1.58 0.00 -1.26 -1.16 121.76 126.59 1y0l s ALA 40 Ca 0.04 -0.27 -0.32 0.00 0.00 0.00 0.00 51.96 51.41 1y0l s ALA 40 Cb -0.15 -2.82 -0.14 0.00 0.00 0.00 0.00 23.12 20.01 1y0l s ALA 40 CO -0.09 -0.43 1.40 -2.30 0.00 0.00 0.00 175.76 174.34 1y0l n PRO 41 N -2.29 1.89 -1.24 0.00 -0.02 -1.26 -1.46 135.00 130.63 1y0l n PRO 41 Ca 0.03 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 62.11 1y0l n PRO 41 Cb 0.54 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 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 2.34 0.89 3.52 -1.23 0.00 -1.26 -4.98 105.19 104.47 1y0l n GLY 42 Ca 0.13 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.46 1.78 0.02 1.61 1.02 -0.53 -5.16 119.74 116.02 1y0l s LYS 43 Ca 0.00 -2.01 -0.00 0.00 0.02 0.00 0.00 55.97 53.98 1y0l s LYS 43 Cb 0.00 -1.10 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 1y0l s LYS 43 CO 0.00 -0.18 0.02 0.41 -0.92 0.00 0.00 175.35 174.69 1y0l n GLY 44 N -0.81 0.67 3.77 -3.33 0.00 -1.26 -4.62 105.19 99.62 1y0l n GLY 44 Ca -0.04 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 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 4.03 -0.11 0.99 1.43 -1.26 -4.36 118.68 119.41 1y0l s LEU 45 Ca 0.02 2.24 -0.02 0.00 -1.03 0.00 0.00 54.13 55.34 1y0l s LEU 45 Cb -0.00 -4.24 0.04 0.00 0.03 0.00 0.00 46.19 42.02 1y0l s LEU 45 CO 0.01 -0.83 0.01 -0.70 0.23 0.00 0.00 176.35 175.07 1y0l s GLU 46 N -2.68 0.61 0.13 1.70 2.12 0.08 -4.99 118.70 115.68 1y0l s GLU 46 Ca 0.63 -0.03 -0.31 0.00 0.36 0.00 0.00 54.97 55.62 1y0l s GLU 46 Cb -0.27 -1.29 -0.08 0.00 0.26 0.00 0.00 34.13 32.75 1y0l s GLU 46 CO 0.33 -0.40 1.40 -0.46 -0.54 0.00 0.00 175.26 175.59 1y0l s TRP 47 N 1.95 3.23 -0.26 5.30 -0.00 -1.26 -1.08 118.94 126.81 1y0l s TRP 47 Ca 0.03 0.95 -0.16 0.00 -0.00 0.00 0.00 56.10 56.92 1y0l s TRP 47 Cb -0.14 -3.70 -0.13 0.00 -0.00 0.00 0.00 33.47 29.51 1y0l s TRP 47 CO -0.06 -2.44 -0.25 -0.89 -0.00 0.00 0.00 176.95 173.30 1y0l n ILE 48 N 3.82 1.53 -0.26 5.86 5.41 -0.49 -4.56 119.36 130.66 1y0l n ILE 48 Ca 0.11 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1y0l n ILE 48 Cb 0.42 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 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 1.30 -1.79 3.29 7.39 0.00 -1.17 -0.51 105.19 113.69 1y0l n GLY 49 Ca -0.48 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.91 1.18 -0.12 1.61 -1.05 -0.33 -1.48 118.70 116.59 1y0l s GLU 50 Ca 0.00 -1.38 -0.08 0.00 -0.15 0.00 0.00 54.97 53.36 1y0l s GLU 50 Cb 0.00 0.33 0.05 0.00 -0.44 0.00 0.00 34.13 34.06 1y0l s GLU 50 CO 0.00 -0.41 0.30 -1.50 0.95 0.00 0.00 175.26 174.60 1y0l s ILE 51 N -4.05 -0.03 0.87 1.83 2.07 -0.54 -2.24 121.20 119.11 1y0l s ILE 51 Ca 0.26 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.46 1y0l s ILE 51 Cb 0.05 -0.45 0.12 0.00 0.13 0.00 0.00 42.46 42.31 1y0l s ILE 51 CO 0.05 0.04 1.20 0.54 -1.91 0.00 0.00 174.94 174.86 1y0l s ASN 52 N 1.01 3.93 0.21 4.50 4.22 -0.63 -1.50 114.94 126.68 1y0l s ASN 52 Ca -0.07 0.71 -0.14 0.00 -2.14 0.00 0.00 52.86 51.21 1y0l s ASN 52 Cb -0.08 -1.12 0.22 0.00 1.28 0.00 0.00 41.25 41.56 1y0l s ASN 52 CO -0.07 -2.26 1.62 -0.65 -2.04 0.00 0.00 177.10 173.70 1y0l h PRO 52 N -1.30 -0.02 -0.53 3.55 0.11 -1.84 -2.39 132.00 129.57 1y0l h PRO 52 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1y0l h PRO 52 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1y0l h PRO 52 CO 0.59 -0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1y0l n ASP 53 N -5.43 2.59 0.00 -2.05 5.68 -1.26 -4.92 116.55 111.16 1y0l n ASP 53 Ca 0.07 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1y0l n ASP 53 Cb 0.33 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 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 0.54 -1.99 0.18 -1.12 7.64 -0.90 -4.80 113.62 113.15 1y0l n SER 54 Ca 0.14 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.15 1y0l n SER 54 Cb 0.48 -2.67 0.38 0.00 -1.01 0.00 0.00 64.21 61.39 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 0.15 0.00 -4.74 1.43 3.08 -1.91 -3.43 114.38 108.96 1y0l h ARG 55 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1y0l h ARG 55 Cb 0.32 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.01 1y0l h ARG 55 CO 0.00 0.00 -0.84 0.99 -1.07 0.00 0.00 179.97 179.05 1y0l s THR 56 N -3.26 1.67 -0.07 2.04 2.01 -1.26 -5.06 115.64 111.71 1y0l s THR 56 Ca 0.07 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 1y0l s THR 56 Cb 0.09 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 71.08 1y0l s THR 56 CO 0.58 0.47 0.01 -0.63 -0.69 0.00 0.00 174.62 174.37 1y0l s ILE 57 N 1.45 0.31 -0.04 1.82 1.01 -1.26 -1.61 121.20 122.88 1y0l s ILE 57 Ca 0.05 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1y0l s ILE 57 Cb -0.13 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 1y0l s ILE 57 CO -0.11 0.23 -0.14 0.20 0.00 0.00 0.00 174.94 175.12 1y0l s ASN 58 N 2.00 4.04 0.24 3.58 0.01 -0.95 -4.98 114.94 118.88 1y0l s ASN 58 Ca 0.05 -0.20 0.09 0.00 -0.71 0.00 0.00 52.86 52.08 1y0l s ASN 58 Cb -0.12 -0.85 -0.05 0.00 0.41 0.00 0.00 41.25 40.64 1y0l s ASN 58 CO -0.05 0.34 -0.15 -0.31 -1.51 0.00 0.00 177.10 175.42 1y0l s TYR 59 N -0.75 1.95 0.18 2.20 2.02 -1.26 -1.19 117.35 120.49 1y0l s TYR 59 Ca 0.12 -0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 56.00 1y0l s TYR 59 Cb -0.11 -0.93 -0.09 0.00 -0.40 0.00 0.00 41.96 40.44 1y0l s TYR 59 CO 0.01 0.46 1.36 1.41 -1.57 0.00 0.00 175.55 177.23 1y0l s MET 60 N -3.62 4.34 0.17 -0.62 -2.45 0.33 -4.87 119.30 112.58 1y0l s MET 60 Ca 0.26 2.11 -0.20 0.00 -1.25 0.00 0.00 55.69 56.61 1y0l s MET 60 Cb -0.01 -3.20 0.09 0.00 1.25 0.00 0.00 34.83 32.95 1y0l s MET 60 CO 0.10 -0.35 1.31 -2.30 1.05 0.00 0.00 175.02 174.83 1y0l n PRO 61 N 3.09 -0.28 -0.05 4.11 -0.02 -1.26 -2.35 135.00 138.23 1y0l n PRO 61 Ca 0.08 1.29 -0.08 0.00 -2.02 0.00 0.00 63.50 62.77 1y0l n PRO 61 Cb 0.42 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1y0l n PRO 61 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1y0l h SER 62 N 0.00 -1.06 0.00 2.55 0.02 -1.99 -2.53 113.55 110.54 1y0l h SER 62 Ca 0.22 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1y0l h SER 62 Cb 0.43 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1y0l h SER 62 CO -0.82 -0.25 0.00 0.18 -1.14 0.00 0.00 176.83 174.80 1y0l n LEU 63 N -4.26 0.00 -0.57 5.07 4.77 -1.04 -4.36 117.00 116.61 1y0l n LEU 63 Ca -0.03 0.00 0.44 0.00 -0.03 0.00 0.00 56.01 56.40 1y0l n LEU 63 Cb 0.21 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.00 1y0l n LEU 63 CO 0.02 0.00 1.27 1.17 -1.33 0.00 0.00 177.39 178.52 1y0l n LYS 64 N -0.64 -0.01 0.00 3.23 4.81 -0.95 -1.51 118.16 123.08 1y0l n LYS 64 Ca 0.06 1.05 0.00 0.00 -0.87 0.00 0.00 58.31 58.55 1y0l n LYS 64 Cb 0.03 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 32.79 1y0l n LYS 64 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1y0l n ASP 65 N -4.06 1.21 -0.07 3.14 5.68 -1.26 -4.67 116.55 116.52 1y0l n ASP 65 Ca 0.39 -1.54 0.04 0.00 -0.50 0.00 0.00 54.79 53.19 1y0l n ASP 65 Cb 1.70 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 41.64 1y0l n ASP 65 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1y0l n LYS 66 N -0.27 3.50 -4.47 0.11 2.85 -0.57 -4.97 118.16 114.34 1y0l n LYS 66 Ca 0.00 -0.18 -0.25 0.00 -1.05 0.00 0.00 58.31 56.82 1y0l n LYS 66 Cb 0.29 -0.96 -0.13 0.00 -0.65 0.00 0.00 35.03 33.58 1y0l n LYS 66 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1y0l s PHE 67 N -1.65 1.86 -0.04 5.58 0.40 -0.96 -1.61 117.98 121.57 1y0l s PHE 67 Ca 0.05 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1y0l s PHE 67 Cb 0.07 -1.06 0.03 0.00 0.51 0.00 0.00 43.02 42.57 1y0l s PHE 67 CO 0.32 0.16 0.03 0.42 0.70 0.00 0.00 175.22 176.85 1y0l s ILE 68 N -0.99 0.07 -0.09 0.64 1.01 -0.61 -4.85 121.20 116.38 1y0l s ILE 68 Ca 0.08 0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 1y0l s ILE 68 Cb -0.09 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1y0l s ILE 68 CO 0.03 0.16 0.01 -0.63 0.00 0.00 0.00 174.94 174.52 1y0l s ILE 69 N 1.55 4.37 0.24 2.92 1.01 -1.26 -0.62 121.20 129.42 1y0l s ILE 69 Ca -0.03 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1y0l s ILE 69 Cb -0.13 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1y0l s ILE 69 CO -0.03 0.60 0.45 -0.94 0.00 0.00 0.00 174.94 175.02 1y0l s SER 70 N -0.82 -0.08 0.10 3.58 1.04 -0.84 -5.01 113.70 111.67 1y0l s SER 70 Ca 0.13 -0.93 -0.11 0.00 0.48 0.00 0.00 55.95 55.51 1y0l s SER 70 Cb -0.11 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1y0l s SER 70 CO 0.02 -1.11 0.27 0.00 0.98 0.00 0.00 173.24 173.40 1y0l s ARG 71 N -4.02 0.92 -0.34 4.02 1.70 -1.26 -0.40 118.95 119.57 1y0l s ARG 71 Ca 0.22 -0.87 -0.00 0.00 -0.47 0.00 0.00 55.73 54.62 1y0l s ARG 71 Cb -0.00 0.39 0.11 0.00 -0.57 0.00 0.00 34.95 34.88 1y0l s ARG 71 CO 0.08 -0.32 0.14 0.34 -1.08 0.00 0.00 175.30 174.46 1y0l s ASP 72 N -2.83 3.89 0.49 -2.89 -1.08 -0.47 -5.00 116.67 108.78 1y0l s ASP 72 Ca 0.04 -1.91 0.15 0.00 -0.52 0.00 0.00 52.55 50.32 1y0l s ASP 72 Cb 0.04 -0.89 1.15 0.00 -1.46 0.00 0.00 42.92 41.76 1y0l s ASP 72 CO -0.11 -0.37 2.08 0.78 0.52 0.00 0.00 175.17 178.07 1y0l h ASN 73 N 7.71 0.02 0.07 -0.34 2.35 -1.93 -1.88 115.58 121.59 1y0l h ASN 73 Ca -0.09 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1y0l h ASN 73 Cb 0.99 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1y0l h ASN 73 CO 0.46 0.08 -0.18 0.00 -1.65 0.00 0.00 177.43 176.15 1y0l h ALA 74 N 1.92 1.47 -0.49 -0.83 0.00 -1.95 -2.80 119.26 116.57 1y0l h ALA 74 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1y0l h ALA 74 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1y0l h ALA 74 CO 0.01 0.38 0.00 1.63 0.00 0.00 0.00 179.25 181.27 1y0l n LYS 75 N -4.24 3.22 -4.18 0.00 5.02 -0.77 -4.97 118.16 112.24 1y0l n LYS 75 Ca -0.01 -2.60 -0.31 0.00 -2.02 0.00 0.00 58.31 53.38 1y0l n LYS 75 Cb 0.30 -1.66 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1y0l n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y0l n ASN 76 N 0.67 -0.47 -4.27 4.39 4.13 -0.85 -4.80 115.26 114.07 1y0l n ASN 76 Ca 0.20 -1.12 -0.23 0.00 1.68 0.00 0.00 54.58 55.11 1y0l n ASN 76 Cb 0.72 -2.37 -0.13 0.00 -1.54 0.00 0.00 39.78 36.46 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 -4.11 2.41 0.01 6.41 0.01 -1.02 -1.08 113.70 116.32 1y0l s SER 77 Ca 0.19 -0.66 0.07 0.00 1.31 0.00 0.00 55.95 56.86 1y0l s SER 77 Cb -0.11 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 1y0l s SER 77 CO 0.95 0.05 -0.21 -0.22 0.41 0.00 0.00 173.24 174.22 1y0l s LEU 78 N -1.80 2.09 0.06 2.44 2.96 -0.48 -1.37 118.68 122.58 1y0l s LEU 78 Ca 0.05 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1y0l s LEU 78 Cb -0.10 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 1y0l s LEU 78 CO 0.04 0.22 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.82 1y0l s TYR 79 N -0.60 1.38 -0.08 5.38 2.02 0.46 -0.63 117.35 125.27 1y0l s TYR 79 Ca 0.08 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1y0l s TYR 79 Cb -0.08 -0.79 0.03 0.00 -0.40 0.00 0.00 41.96 40.72 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 -1.54 0.49 -0.30 -1.29 2.96 -0.52 -2.00 118.68 116.48 1y0l s LEU 80 Ca 0.01 -0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 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 0.16 -1.58 -1.32 0.00 0.00 176.35 173.40 1y0l s GLN 81 N 2.04 3.55 -0.11 1.98 2.00 0.21 -0.39 119.66 128.94 1y0l s GLN 81 Ca 0.04 -0.58 -0.05 0.00 -2.00 0.00 0.00 55.36 52.77 1y0l s GLN 81 Cb -0.13 -3.59 -0.04 0.00 0.80 0.00 0.00 33.01 30.05 1y0l s GLN 81 CO -0.05 -0.33 0.09 -0.51 -0.50 0.00 0.00 175.29 173.99 1y0l s LEU 82 N 1.67 4.09 0.14 3.68 1.43 0.16 -1.57 118.68 128.27 1y0l s LEU 82 Ca 0.06 0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1y0l s LEU 82 Cb -0.17 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1y0l s LEU 82 CO 0.08 0.39 0.11 -0.94 0.23 0.00 0.00 176.35 176.22 1y0l s SER 82 N -0.94 0.25 -1.35 2.29 1.04 -0.63 -0.08 113.70 114.27 1y0l s SER 82 Ca 0.14 -1.12 -0.04 0.00 0.48 0.00 0.00 55.95 55.41 1y0l s SER 82 Cb -0.12 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1y0l s SER 82 CO 0.03 -0.76 0.82 0.54 0.98 0.00 0.00 173.24 174.85 1y0l n ARG 82 N -0.12 -5.42 -1.84 4.02 5.12 -0.75 -4.86 116.66 112.82 1y0l n ARG 82 Ca -0.06 0.65 -0.41 0.00 -1.93 0.00 0.00 57.85 56.10 1y0l n ARG 82 Cb 0.63 -5.36 -0.01 0.00 -1.16 0.00 0.00 32.46 26.56 1y0l n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1y0l s LEU 82 N -6.83 4.34 0.22 0.55 1.43 -0.72 -4.63 118.68 113.05 1y0l s LEU 82 Ca 0.19 2.95 0.03 0.00 -1.03 0.00 0.00 54.13 56.27 1y0l s LEU 82 Cb -0.09 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1y0l s LEU 82 CO 0.80 -0.84 0.02 -0.13 0.23 0.00 0.00 176.35 176.43 1y0l s ARG 83 N -1.36 1.28 0.39 1.70 0.52 -1.26 0.14 118.95 120.37 1y0l s ARG 83 Ca 0.57 -1.65 0.11 0.00 -0.52 0.00 0.00 55.73 54.23 1y0l s ARG 83 Cb -0.46 -0.44 0.90 0.00 0.52 0.00 0.00 34.95 35.47 1y0l s ARG 83 CO 0.55 -0.15 1.94 0.66 0.02 0.00 0.00 175.30 178.33 1y0l h SER 84 N 2.52 0.52 0.00 0.23 4.64 -1.96 0.36 113.55 119.85 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 1.22 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1y0l h SER 84 CO 0.63 0.31 0.06 1.05 -0.87 0.00 0.00 176.83 178.00 1y0l h GLU 85 N 0.57 0.00 -0.01 4.77 4.11 -1.96 0.27 114.58 122.33 1y0l h GLU 85 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1y0l h GLU 85 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1y0l h GLU 85 CO -0.12 0.00 -0.18 -0.25 0.07 0.00 0.00 179.01 178.54 1y0l n ASP 86 N -2.29 1.08 -4.69 3.06 8.00 0.12 -4.86 116.55 116.97 1y0l n ASP 86 Ca -0.01 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.05 1y0l n ASP 86 Cb 0.09 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1y0l n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1y0l s SER 87 N -2.37 6.77 0.00 -2.24 0.01 0.08 -4.86 113.70 111.09 1y0l s SER 87 Ca 0.28 2.25 0.00 0.00 1.31 0.00 0.00 55.95 59.79 1y0l s SER 87 Cb 0.20 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1y0l s SER 87 CO 0.47 -0.77 0.00 0.00 0.41 0.00 0.00 173.24 173.35 1y0l n ALA 88 N 5.34 0.00 -2.71 1.44 0.00 -0.28 -4.41 120.51 119.90 1y0l n ALA 88 Ca 0.14 0.00 -0.37 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 19.81 1y0l n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y0l s LEU 89 N 0.00 4.22 -0.21 0.00 1.43 -0.31 -1.08 118.68 122.73 1y0l s LEU 89 Ca 0.00 0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 53.62 1y0l s LEU 89 Cb 0.00 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1y0l s LEU 89 CO 0.00 0.02 0.06 -0.31 0.23 0.00 0.00 176.35 176.34 1y0l s TYR 90 N 0.79 3.16 -0.07 0.29 1.51 -0.40 -0.69 117.35 121.94 1y0l s TYR 90 Ca 0.20 -0.13 -0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1y0l s TYR 90 Cb -0.14 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1y0l s TYR 90 CO 0.07 -0.05 -0.04 0.71 -1.11 0.00 0.00 175.55 175.12 1y0l s TYR 91 N 0.84 3.01 -0.23 2.71 2.02 0.29 -1.33 117.35 124.67 1y0l s TYR 91 Ca 0.03 0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 56.67 1y0l s TYR 91 Cb -0.14 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 1y0l s TYR 91 CO 0.02 0.38 0.34 0.00 -1.57 0.00 0.00 175.55 174.72 1y0l s VAL 93 N 1.44 0.62 -0.09 0.00 1.01 0.56 -0.93 120.40 123.01 1y0l s VAL 93 Ca 0.15 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1y0l s VAL 93 Cb -0.15 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1y0l s VAL 93 CO 0.08 0.03 0.32 -0.60 0.00 0.00 0.00 175.10 174.93 1y0l s ARG 94 N -0.58 3.97 -0.23 2.72 3.52 -0.32 0.22 118.95 128.26 1y0l s ARG 94 Ca -0.00 0.21 -0.05 0.00 -0.13 0.00 0.00 55.73 55.76 1y0l s ARG 94 Cb -0.05 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1y0l s ARG 94 CO 0.00 0.52 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.83 1y0l s LEU 95 N -0.42 3.08 -0.48 -0.88 2.96 -0.78 -2.03 118.68 120.12 1y0l s LEU 95 Ca 0.20 -0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.53 1y0l s LEU 95 Cb -0.14 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1y0l s LEU 95 CO 0.08 -0.02 0.93 -0.62 -1.32 0.00 0.00 176.35 175.40 1y0l s ASP 96 N 1.50 6.46 -0.39 3.68 2.15 0.65 -3.76 116.67 126.97 1y0l s ASP 96 Ca 0.06 0.00 -0.08 0.00 0.43 0.00 0.00 52.55 52.96 1y0l s ASP 96 Cb -0.15 -2.45 0.06 0.00 -0.30 0.00 0.00 42.92 40.09 1y0l s ASP 96 CO -0.01 -1.09 0.20 0.12 -0.17 0.00 0.00 175.17 174.22 1y0l s PHE 97 N 3.80 3.32 -0.52 -5.34 2.19 -1.26 -1.85 117.98 118.31 1y0l s PHE 97 Ca 0.35 -1.52 0.04 0.00 0.33 0.00 0.00 56.93 56.14 1y0l s PHE 97 Cb -0.11 -2.70 0.13 0.00 -1.31 0.00 0.00 43.02 39.04 1y0l s PHE 97 CO 0.25 -0.80 0.27 0.34 1.83 0.00 0.00 175.22 177.10 1y0l s ASP 98 N 1.80 4.26 0.48 6.13 -1.08 -1.26 -4.95 116.67 122.06 1y0l s ASP 98 Ca 0.02 -3.02 0.24 0.00 -0.52 0.00 0.00 52.55 49.27 1y0l s ASP 98 Cb -0.21 -1.58 1.23 0.00 -1.46 0.00 0.00 42.92 40.89 1y0l s ASP 98 CO 0.02 -0.23 1.98 1.62 0.52 0.00 0.00 175.17 179.09 1y0l h VAL 99 N 5.41 0.67 0.67 1.11 3.04 -1.96 0.15 116.25 125.35 1y0l h VAL 99 Ca -0.06 -0.77 -0.03 0.00 -1.01 0.00 0.00 66.70 64.83 1y0l h VAL 99 Cb 0.89 1.48 0.01 0.00 -2.01 0.00 0.00 31.29 31.66 1y0l h VAL 99 CO 0.67 0.18 -0.32 0.22 -1.01 0.00 0.00 177.57 177.30 1y0l h TYR 100 N 0.00 -0.83 -0.05 3.17 3.20 -2.05 -2.96 116.97 117.44 1y0l h TYR 100 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1y0l h TYR 100 Cb 0.47 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1y0l h TYR 100 CO 0.00 -0.50 0.00 0.09 -1.64 0.00 0.00 178.16 176.11 1y0l n ASN 100 N -5.46 1.29 -2.51 -2.11 3.02 -1.17 -5.24 115.26 103.09 1y0l n ASN 100 Ca -0.13 -1.49 -0.02 0.00 -0.03 0.00 0.00 54.58 52.91 1y0l n ASN 100 Cb 0.37 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.03 -3.35 0.00 3.10 8.25 0.03 -5.09 115.22 118.19 1y0l n HIS 100 Ca 0.19 1.97 0.00 0.00 -0.26 0.00 0.00 57.72 59.62 1y0l n HIS 100 Cb 0.31 -3.07 0.00 0.00 1.12 0.00 0.00 29.99 28.34 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 1.94 0.00 -4.20 4.41 4.01 -1.26 -5.03 117.16 117.03 1y0l n TYR 100 Ca -0.16 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.40 1y0l n TYR 100 Cb 0.25 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.13 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 0.50 -1.10 -0.72 1.01 -0.77 -4.98 120.40 114.34 1y0l s VAL 100 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 1y0l s VAL 100 Cb 0.00 -0.47 0.12 0.00 0.00 0.00 0.00 36.38 36.03 1y0l s VAL 100 CO 0.00 0.17 1.39 -0.76 0.00 0.00 0.00 175.10 175.90 1y0l s LEU 100 N 0.24 4.55 -0.01 3.92 1.43 -1.26 -0.25 118.68 127.29 1y0l s LEU 100 Ca -0.03 -2.30 -0.22 0.00 -1.03 0.00 0.00 54.13 50.55 1y0l s LEU 100 Cb -0.07 -2.46 -0.13 0.00 0.03 0.00 0.00 46.19 43.56 1y0l s LEU 100 CO -0.00 -1.07 0.95 -2.24 0.23 0.00 0.00 176.35 174.22 1y0l h ASP 101 N 8.27 -0.52 -3.74 2.29 3.04 -1.79 -3.46 116.42 120.50 1y0l h ASP 101 Ca 0.27 -0.06 -0.69 0.00 -3.24 0.00 0.00 57.03 53.31 1y0l h ASP 101 Cb 0.95 0.14 -0.20 0.00 -1.04 0.00 0.00 39.33 39.17 1y0l h ASP 101 CO 1.27 -0.11 -0.71 -0.31 -2.04 0.00 0.00 179.24 177.34 1y0l s TYR 102 N -4.08 2.88 0.06 4.15 1.51 -1.25 -4.99 117.35 115.62 1y0l s TYR 102 Ca -0.12 -0.04 0.08 0.00 -1.01 0.00 0.00 57.07 55.98 1y0l s TYR 102 Cb 0.01 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 1y0l s TYR 102 CO 0.39 0.28 -0.22 -1.58 -1.11 0.00 0.00 175.55 173.31 1y0l s TRP 103 N -0.74 1.93 0.91 2.71 0.52 -1.26 -1.17 118.94 121.84 1y0l s TRP 103 Ca 0.11 -0.39 -0.13 0.00 0.02 0.00 0.00 56.10 55.72 1y0l s TRP 103 Cb -0.11 -1.13 0.18 0.00 -1.15 0.00 0.00 33.47 31.26 1y0l s TRP 103 CO 0.01 0.13 1.25 0.20 0.02 0.00 0.00 176.95 178.56 1y0l s GLY 104 N -1.33 1.77 0.00 0.98 0.00 -0.10 -4.80 107.32 103.84 1y0l s GLY 104 Ca 0.08 -1.30 0.25 0.00 0.00 0.00 0.00 44.72 43.75 1y0l s GLY 104 CO 0.02 -0.58 1.63 -1.06 0.00 0.00 0.00 173.10 173.12 1y0l n GLN 105 N -3.57 1.76 0.00 2.90 6.02 -1.26 -4.74 117.38 118.49 1y0l n GLN 105 Ca 0.15 -1.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1y0l n GLN 105 Cb 0.60 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 1.18 -1.52 3.07 1.08 0.00 -1.26 -5.01 105.19 102.74 1y0l n GLY 106 Ca 0.18 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.06 1.30 0.17 2.61 -1.32 -0.44 -4.82 115.64 110.07 1y0l s THR 107 Ca 0.00 -0.59 -0.30 0.00 -1.21 0.00 0.00 61.69 59.59 1y0l s THR 107 Cb 0.00 -1.16 -0.07 0.00 -1.51 0.00 0.00 72.50 69.75 1y0l s THR 107 CO 0.00 0.39 0.94 -0.55 -2.21 0.00 0.00 174.62 173.19 1y0l s SER 108 N 0.50 7.55 -0.06 8.08 0.15 -1.26 -1.27 113.70 127.39 1y0l s SER 108 Ca -0.13 1.85 0.02 0.00 0.70 0.00 0.00 55.95 58.38 1y0l s SER 108 Cb -0.15 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.58 1y0l s SER 108 CO 0.04 0.04 -0.10 -0.69 1.20 0.00 0.00 173.24 173.74 1y0l s VAL 109 N -0.55 0.95 -0.10 4.45 1.01 -0.25 -0.21 120.40 125.71 1y0l s VAL 109 Ca 0.44 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1y0l s VAL 109 Cb -0.24 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1y0l s VAL 109 CO 0.30 0.32 -0.14 -0.89 0.00 0.00 0.00 175.10 174.69 1y0l s THR 110 N 0.80 1.37 -0.27 3.92 2.01 -0.03 -1.13 115.64 122.31 1y0l s THR 110 Ca -0.13 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 1y0l s THR 110 Cb -0.15 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1y0l s THR 110 CO 0.02 0.41 0.12 -0.69 -0.69 0.00 0.00 174.62 173.79 1y0l s VAL 111 N 0.94 4.63 -0.03 3.82 1.01 -1.26 0.07 120.40 129.58 1y0l s VAL 111 Ca -0.08 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1y0l s VAL 111 Cb -0.15 -3.22 0.11 0.00 0.00 0.00 0.00 36.38 33.12 1y0l s VAL 111 CO -0.00 0.26 0.92 -0.55 0.00 0.00 0.00 175.10 175.72 1y0l s SER 112 N 1.65 -0.36 0.00 3.32 0.15 -0.29 -4.52 113.70 113.65 1y0l s SER 112 Ca 0.06 0.06 0.24 0.00 0.70 0.00 0.00 55.95 57.01 1y0l s SER 112 Cb -0.16 0.36 0.36 0.00 -1.71 0.00 0.00 66.02 64.87 1y0l s SER 112 CO 0.06 -0.57 1.31 -0.24 1.20 0.00 0.00 173.24 175.00 1y0l n SER 113 N -0.11 0.97 -4.80 5.45 2.88 -1.26 -4.19 113.62 112.56 1y0l n SER 113 Ca -0.08 -0.77 -0.31 0.00 -1.33 0.00 0.00 58.87 56.38 1y0l n SER 113 Cb 0.61 0.40 0.07 0.00 -0.75 0.00 0.00 64.21 64.54 1y0l n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y0l s ALA 114 N -2.78 2.48 0.26 -1.46 0.00 -1.26 -5.05 121.76 113.94 1y0l s ALA 114 Ca 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 1y0l s ALA 114 Cb 0.18 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1y0l s ALA 114 CO 0.66 -1.46 0.47 -1.54 0.00 0.00 0.00 175.76 173.89 1y0l s SER 115 N -3.69 6.38 0.71 0.00 1.04 -1.26 -5.05 113.70 111.84 1y0l s SER 115 Ca 0.59 0.50 -0.13 0.00 0.48 0.00 0.00 55.95 57.39 1y0l s SER 115 Cb -0.15 -2.05 0.03 0.00 0.10 0.00 0.00 66.02 63.95 1y0l s SER 115 CO 0.55 -0.14 1.10 0.42 0.98 0.00 0.00 173.24 176.16 1y0l s THR 116 N -2.03 3.25 -0.15 2.02 -4.23 -1.26 -4.83 115.64 108.41 1y0l s THR 116 Ca 0.40 0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 61.32 1y0l s THR 116 Cb -0.11 -3.00 0.05 0.00 1.34 0.00 0.00 72.50 70.79 1y0l s THR 116 CO 0.31 -0.44 0.37 -0.75 -0.54 0.00 0.00 174.62 173.56 1y0l s LYS 117 N -4.46 0.36 0.50 3.99 2.20 0.63 -4.93 119.74 118.03 1y0l s LYS 117 Ca 0.64 0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 56.74 1y0l s LYS 117 Cb -0.19 0.01 -0.08 0.00 -1.51 0.00 0.00 37.83 36.06 1y0l s LYS 117 CO 0.48 -0.14 1.02 0.20 -0.36 0.00 0.00 175.35 176.56 1y0l s GLY 118 N 1.10 2.38 0.50 5.54 0.00 -1.26 -1.48 107.32 114.11 1y0l s GLY 118 Ca -0.07 0.50 -0.14 0.00 0.00 0.00 0.00 44.72 45.00 1y0l s GLY 118 CO -0.09 0.81 0.94 2.56 0.00 0.00 0.00 173.10 177.32 1y0l s PRO 119 N -3.45 3.86 -0.19 2.90 0.04 -1.26 -4.50 135.00 132.40 1y0l s PRO 119 Ca 0.65 0.81 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 1y0l s PRO 119 Cb -0.15 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1y0l s PRO 119 CO 0.23 -0.25 0.11 -1.12 0.04 0.00 0.00 177.00 176.01 1y0l s SER 120 N -3.24 6.07 -0.31 6.66 0.01 -0.37 -4.92 113.70 117.59 1y0l s SER 120 Ca 0.57 0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.97 1y0l s SER 120 Cb -0.10 -2.05 0.02 0.00 0.21 0.00 0.00 66.02 64.10 1y0l s SER 120 CO 0.34 0.20 0.08 -0.69 0.41 0.00 0.00 173.24 173.58 1y0l s VAL 121 N 0.24 3.86 0.01 3.43 1.01 -1.26 -1.51 120.40 126.18 1y0l s VAL 121 Ca 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1y0l s VAL 121 Cb -0.11 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1y0l s VAL 121 CO -0.01 -0.01 -0.01 -0.36 0.00 0.00 0.00 175.10 174.71 1y0l s PHE 122 N 1.46 3.03 0.26 5.22 0.08 0.06 -4.93 117.98 123.15 1y0l s PHE 122 Ca 0.01 0.04 -0.27 0.00 0.12 0.00 0.00 56.93 56.83 1y0l s PHE 122 Cb -0.18 -1.64 -0.09 0.00 -0.57 0.00 0.00 43.02 40.54 1y0l s PHE 122 CO 0.02 0.44 0.91 -1.25 -0.10 0.00 0.00 175.22 175.24 1y0l s PRO 123 N -1.60 4.69 -0.87 0.24 0.04 -1.26 0.29 135.00 136.53 1y0l s PRO 123 Ca 0.20 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 1y0l s PRO 123 Cb -0.11 -3.09 0.22 0.00 0.04 0.00 0.00 34.50 31.55 1y0l s PRO 123 CO 0.10 0.44 0.76 -0.51 0.04 0.00 0.00 177.00 177.84 1y0l s LEU 124 N -1.51 5.65 0.44 -3.56 1.43 0.39 -4.84 118.68 116.67 1y0l s LEU 124 Ca 0.43 -3.54 -0.24 0.00 -1.03 0.00 0.00 54.13 49.76 1y0l s LEU 124 Cb -0.23 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 43.95 1y0l s LEU 124 CO 0.28 -0.24 1.16 0.00 0.23 0.00 0.00 176.35 177.78 1y0l n ALA 125 N 2.61 0.84 -1.94 4.21 0.00 -1.26 -1.54 120.51 123.43 1y0l n ALA 125 Ca 0.19 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.44 1y0l n ALA 125 Cb 0.38 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 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 -2.21 3.90 -0.36 0.00 0.02 -1.26 -4.85 135.00 130.24 1y0l s PRO 126 Ca 0.63 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.67 1y0l s PRO 126 Cb -0.52 -4.08 0.12 0.00 0.02 0.00 0.00 34.50 30.05 1y0l s PRO 126 CO 0.56 -1.19 2.43 0.43 -0.33 0.00 0.00 177.00 178.90 1y0l n SER 127 N 8.25 6.41 -3.95 2.53 7.64 -1.26 -4.65 113.62 128.59 1y0l n SER 127 Ca 0.20 -3.09 -0.09 0.00 1.01 0.00 0.00 58.87 56.90 1y0l n SER 127 Cb 0.44 -1.15 -0.09 0.00 -1.01 0.00 0.00 64.21 62.39 1y0l n SER 127 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1y0l s SER 128 N 0.35 0.23 0.01 6.43 0.15 -1.26 -5.08 113.70 114.54 1y0l s SER 128 Ca 0.45 -0.66 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1y0l s SER 128 Cb 0.31 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1y0l s SER 128 CO -0.10 -0.58 -0.01 -0.54 1.20 0.00 0.00 173.24 173.21 1y0l s LYS 129 N -3.15 2.70 0.00 5.44 1.02 -1.26 -4.96 119.74 119.52 1y0l s LYS 129 Ca -0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1y0l s LYS 129 Cb 0.02 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1y0l s LYS 129 CO -0.07 0.61 0.77 -1.13 -0.92 0.00 0.00 175.35 174.61 1y0l n SER 130 N 1.29 0.00 -0.00 2.83 3.41 -1.26 -0.51 113.62 119.39 1y0l n SER 130 Ca -0.14 0.30 -0.15 0.00 -0.26 0.00 0.00 58.87 58.61 1y0l n SER 130 Cb 0.53 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 64.04 1y0l n SER 130 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1y0l h THR 133 N 0.00 0.75 -0.99 6.66 2.02 -1.93 -3.33 112.91 116.09 1y0l h THR 133 Ca 0.00 -2.53 0.29 0.00 0.77 0.00 0.00 66.41 64.94 1y0l h THR 133 Cb 0.26 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 1y0l h THR 133 CO 0.00 0.70 0.71 0.77 0.37 0.00 0.00 175.52 178.07 1y0l h SER 134 N 0.04 0.01 -4.08 4.18 4.64 -1.19 -3.48 113.55 113.68 1y0l h SER 134 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1y0l h SER 134 Cb 2.03 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 1y0l h SER 134 CO 0.09 0.00 -0.47 0.61 -0.87 0.00 0.00 176.83 176.19 1y0l n GLY 135 N -1.73 -3.97 0.00 -0.77 0.00 -1.26 -5.03 105.19 92.43 1y0l n GLY 135 Ca 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.55 0.27 3.83 -0.02 0.00 -1.26 -4.91 105.19 102.54 1y0l n GLY 136 Ca 0.00 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 4.61 0.05 2.61 2.01 -1.26 0.14 115.64 123.80 1y0l s THR 137 Ca 0.00 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 60.94 1y0l s THR 137 Cb 0.00 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1y0l s THR 137 CO 0.00 -0.16 -0.09 0.00 -0.69 0.00 0.00 174.62 173.68 1y0l s ALA 138 N -1.83 0.70 -0.10 7.40 0.00 0.85 -4.63 121.76 124.15 1y0l s ALA 138 Ca 0.32 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1y0l s ALA 138 Cb -0.10 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1y0l s ALA 138 CO 0.24 0.01 -0.10 0.00 0.00 0.00 0.00 175.76 175.91 1y0l s ALA 139 N -1.42 2.78 0.17 0.00 0.00 -1.26 -1.32 121.76 120.70 1y0l s ALA 139 Ca -0.08 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 1y0l s ALA 139 Cb -0.10 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1y0l s ALA 139 CO 0.01 0.41 0.26 -0.48 0.00 0.00 0.00 175.76 175.96 1y0l s LEU 140 N -0.24 1.03 0.00 0.00 0.05 -0.87 -4.13 118.68 114.52 1y0l s LEU 140 Ca 0.02 -0.94 0.00 0.00 0.05 0.00 0.00 54.13 53.27 1y0l s LEU 140 Cb -0.13 1.08 0.00 0.00 -2.05 0.00 0.00 46.19 45.09 1y0l s LEU 140 CO 0.03 -0.88 0.00 0.61 -0.55 0.00 0.00 176.35 175.55 1y0l n GLY 141 N -0.21 1.19 3.00 -3.48 0.00 -0.59 -0.66 105.19 104.44 1y0l n GLY 141 Ca -0.06 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 0.06 4.24 -0.48 0.00 2.96 0.14 -1.35 118.68 124.25 1y0l s LEU 143 Ca -0.01 -0.67 -0.13 0.00 -0.22 0.00 0.00 54.13 53.11 1y0l s LEU 143 Cb -0.07 -1.99 0.10 0.00 0.50 0.00 0.00 46.19 44.73 1y0l s LEU 143 CO 0.00 -0.24 0.38 -0.69 -1.32 0.00 0.00 176.35 174.48 1y0l s VAL 144 N 1.58 4.78 0.19 1.68 1.01 0.49 -0.76 120.40 129.37 1y0l s VAL 144 Ca 0.04 -1.40 0.06 0.00 0.00 0.00 0.00 61.98 60.68 1y0l s VAL 144 Cb -0.18 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1y0l s VAL 144 CO 0.06 -0.68 -0.12 -1.59 0.00 0.00 0.00 175.10 172.77 1y0l s LYS 145 N 1.52 1.24 -0.91 2.72 -2.85 -0.57 -0.38 119.74 120.51 1y0l s LYS 145 Ca 0.04 -1.55 -0.04 0.00 -1.00 0.00 0.00 55.97 53.42 1y0l s LYS 145 Cb -0.26 -0.92 -0.04 0.00 -2.06 0.00 0.00 37.83 34.55 1y0l s LYS 145 CO 0.03 0.13 0.82 -0.25 0.10 0.00 0.00 175.35 176.18 1y0l n ASP 146 N -0.33 -7.06 -4.29 0.03 8.00 -0.14 -1.24 116.55 111.53 1y0l n ASP 146 Ca -0.09 -0.45 -0.15 0.00 0.71 0.00 0.00 54.79 54.81 1y0l n ASP 146 Cb 0.61 -5.20 -0.10 0.00 -0.02 0.00 0.00 41.12 36.40 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 -3.23 1.40 -0.28 1.24 -0.85 -1.01 -4.29 117.35 110.32 1y0l s TYR 147 Ca 0.27 -0.84 -0.21 0.00 -0.52 0.00 0.00 57.07 55.78 1y0l s TYR 147 Cb -0.04 -0.76 0.12 0.00 0.38 0.00 0.00 41.96 41.66 1y0l s TYR 147 CO 0.73 0.02 0.93 0.12 -1.52 0.00 0.00 175.55 175.84 1y0l s PHE 148 N -3.37 -0.62 0.00 -3.49 5.36 -0.55 -0.83 117.98 114.48 1y0l s PHE 148 Ca 0.22 1.37 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 1y0l s PHE 148 Cb 0.04 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 1y0l s PHE 148 CO 0.04 -0.30 0.00 -0.35 -1.46 0.00 0.00 175.22 173.15 1y0l n PRO 149 N 3.02 1.64 -1.77 10.12 -0.04 -1.26 -0.27 135.00 146.44 1y0l n PRO 149 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.99 1y0l n PRO 149 Cb 0.57 0.00 0.04 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 -0.04 3.04 0.53 0.54 0.41 -1.26 -4.77 118.70 117.15 1y0l s GLU 150 Ca 0.00 1.11 0.02 0.00 -0.41 0.00 0.00 54.97 55.70 1y0l s GLU 150 Cb 0.00 -2.00 0.01 0.00 -1.78 0.00 0.00 34.13 30.36 1y0l s GLU 150 CO 0.00 -1.03 0.13 -1.25 -0.49 0.00 0.00 175.26 172.62 1y0l s PRO 151 N -4.53 2.22 0.12 0.39 0.04 -1.26 -4.93 135.00 127.05 1y0l s PRO 151 Ca 0.61 -2.30 0.08 0.00 0.04 0.00 0.00 61.00 59.43 1y0l s PRO 151 Cb -0.16 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1y0l s PRO 151 CO 0.46 -0.45 -0.18 0.14 0.04 0.00 0.00 177.00 177.00 1y0l s VAL 152 N -2.85 1.61 0.05 -0.36 -7.23 -1.26 -4.47 120.40 105.89 1y0l s VAL 152 Ca 0.13 -1.64 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 1y0l s VAL 152 Cb 0.00 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1y0l s VAL 152 CO 0.08 -0.20 -0.22 0.42 -0.31 0.00 0.00 175.10 174.86 1y0l s THR 153 N -1.57 2.47 -0.03 5.32 -4.23 0.11 -4.95 115.64 112.77 1y0l s THR 153 Ca 0.08 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1y0l s THR 153 Cb -0.08 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.74 1y0l s THR 153 CO 0.04 0.32 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.66 1y0l s VAL 154 N -0.90 0.80 0.08 2.29 1.01 -1.26 -1.10 120.40 121.32 1y0l s VAL 154 Ca 0.13 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1y0l s VAL 154 Cb -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1y0l s VAL 154 CO 0.04 0.25 0.10 -0.94 0.00 0.00 0.00 175.10 174.55 1y0l s SER 156 N 0.24 0.28 -0.10 3.32 1.04 -0.56 -4.97 113.70 112.95 1y0l s SER 156 Ca -0.04 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.57 1y0l s SER 156 Cb -0.09 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1y0l s SER 156 CO 0.01 -0.69 -0.19 0.26 0.98 0.00 0.00 173.24 173.60 1y0l s TRP 157 N -3.91 2.64 -1.24 5.02 0.52 -1.26 0.11 118.94 120.83 1y0l s TRP 157 Ca 0.08 -0.78 -0.08 0.00 0.02 0.00 0.00 56.10 55.34 1y0l s TRP 157 Cb 0.06 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1y0l s TRP 157 CO -0.09 -0.26 0.69 0.09 0.02 0.00 0.00 176.95 177.40 1y0l n ASN 162 N 3.33 -2.95 -2.45 2.95 3.02 0.91 -1.71 115.26 118.38 1y0l n ASN 162 Ca -0.18 -0.92 -0.10 0.00 -0.03 0.00 0.00 54.58 53.34 1y0l n ASN 162 Cb 0.53 -3.68 -0.00 0.00 -0.61 0.00 0.00 39.78 36.01 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 -2.91 -3.33 0.00 6.41 7.64 -1.26 -0.69 113.62 119.47 1y0l n SER 163 Ca -0.21 0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1y0l n SER 163 Cb 0.64 -2.86 0.00 0.00 -1.01 0.00 0.00 64.21 60.98 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 -0.74 0.31 0.31 0.23 0.00 -0.69 -4.95 105.19 99.66 1y0l n GLY 164 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 0.88 -2.58 4.61 0.00 -0.80 -3.40 119.26 117.97 1y0l h ALA 165 Ca 0.00 -0.30 -0.69 0.00 0.00 0.00 0.00 54.91 53.93 1y0l h ALA 165 Cb 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 17.79 17.36 1y0l h ALA 165 CO 0.00 0.67 -0.37 -1.17 0.00 0.00 0.00 179.25 178.38 1y0l s LEU 166 N -9.38 4.70 0.00 0.00 2.96 -1.01 -4.85 118.68 111.10 1y0l s LEU 166 Ca -0.12 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1y0l s LEU 166 Cb 0.14 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1y0l s LEU 166 CO 0.85 -0.37 0.00 0.35 -1.32 0.00 0.00 176.35 175.86 1y0l n THR 167 N 5.21 0.00 -2.76 3.68 -2.24 -1.26 -4.12 114.28 112.79 1y0l n THR 167 Ca -0.10 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1y0l n THR 167 Cb 0.49 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 1y0l n THR 167 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1y0l s SER 168 N -0.88 7.25 0.00 3.42 0.01 -1.26 -3.30 113.70 118.93 1y0l s SER 168 Ca 0.00 1.52 0.00 0.00 1.31 0.00 0.00 55.95 58.78 1y0l s SER 168 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1y0l s SER 168 CO 0.00 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1y0l n GLY 169 N 3.04 0.66 3.81 3.44 0.00 -1.26 -4.74 105.19 110.14 1y0l n GLY 169 Ca 0.06 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 4.85 -0.17 1.61 1.01 -1.21 -3.05 120.40 121.43 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 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1y0l s VAL 171 CO 0.00 0.53 0.04 -1.00 0.00 0.00 0.00 175.10 174.67 1y0l s HIS 172 N -0.89 0.83 -0.30 5.22 3.76 0.23 -5.00 115.29 119.13 1y0l s HIS 172 Ca 0.28 -0.66 -0.07 0.00 -0.15 0.00 0.00 55.06 54.46 1y0l s HIS 172 Cb -0.18 -0.94 0.01 0.00 1.11 0.00 0.00 32.58 32.58 1y0l s HIS 172 CO 0.17 -0.55 0.09 0.99 -0.85 0.00 0.00 174.74 174.59 1y0l s THR 173 N 1.92 3.96 0.51 1.30 2.01 -1.26 -1.02 115.64 123.06 1y0l s THR 173 Ca 0.00 -0.75 -0.19 0.00 0.31 0.00 0.00 61.69 61.06 1y0l s THR 173 Cb -0.16 -3.07 -0.08 0.00 0.01 0.00 0.00 72.50 69.20 1y0l s THR 173 CO -0.08 0.04 1.02 -0.36 -0.69 0.00 0.00 174.62 174.55 1y0l s PHE 174 N 1.49 3.12 0.33 4.92 0.08 -0.29 -5.00 117.98 122.62 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 -2.97 -0.10 0.00 -0.57 0.00 0.00 43.02 39.20 1y0l s PHE 174 CO 0.03 -0.71 1.36 -1.25 -0.10 0.00 0.00 175.22 174.54 1y0l s PRO 175 N -3.56 4.30 0.64 0.24 0.04 -1.26 -4.51 135.00 130.89 1y0l s PRO 175 Ca 0.64 2.30 -0.18 0.00 0.04 0.00 0.00 61.00 63.80 1y0l s PRO 175 Cb -0.14 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1y0l s PRO 175 CO 0.25 -0.28 1.22 0.00 0.04 0.00 0.00 177.00 178.22 1y0l s ALA 176 N -0.99 2.42 0.02 8.56 0.00 -1.26 -4.86 121.76 125.66 1y0l s ALA 176 Ca 0.51 0.99 0.08 0.00 0.00 0.00 0.00 51.96 53.54 1y0l s ALA 176 Cb -0.41 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1y0l s ALA 176 CO 0.54 -1.40 -0.24 0.14 0.00 0.00 0.00 175.76 174.81 1y0l s VAL 177 N -1.69 2.34 -0.41 0.00 -7.23 -0.00 -4.92 120.40 108.48 1y0l s VAL 177 Ca 0.77 -1.24 -0.23 0.00 -1.81 0.00 0.00 61.98 59.47 1y0l s VAL 177 Cb -0.31 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 34.74 1y0l s VAL 177 CO 0.37 0.42 0.78 -0.22 -0.31 0.00 0.00 175.10 176.14 1y0l s LEU 178 N -1.12 4.19 0.80 1.32 2.96 -1.26 -1.84 118.68 123.72 1y0l s LEU 178 Ca 0.12 0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 54.02 1y0l s LEU 178 Cb -0.10 -2.99 0.07 0.00 0.50 0.00 0.00 46.19 43.67 1y0l s LEU 178 CO 0.02 -0.83 1.11 -1.10 -1.32 0.00 0.00 176.35 174.23 1y0l s GLN 179 N 3.21 2.09 0.39 1.98 -0.21 -0.23 -4.92 119.66 121.97 1y0l s GLN 179 Ca 0.31 0.52 0.07 0.00 0.02 0.00 0.00 55.36 56.28 1y0l s GLN 179 Cb -0.13 -1.93 0.82 0.00 1.00 0.00 0.00 33.01 32.78 1y0l s GLN 179 CO 0.20 -1.59 2.01 0.66 -2.12 0.00 0.00 175.29 174.45 1y0l h SER 180 N -1.06 0.55 0.06 5.90 4.64 -1.96 -0.57 113.55 121.10 1y0l h SER 180 Ca -0.47 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1y0l h SER 180 Cb 1.28 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1y0l h SER 180 CO 0.61 0.37 0.00 -1.54 -0.87 0.00 0.00 176.83 175.40 1y0l n SER 182 N -4.47 0.18 0.00 4.97 3.41 -1.26 -4.78 113.62 111.67 1y0l n SER 182 Ca 0.07 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1y0l n SER 182 Cb 0.17 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 -1.28 0.74 3.67 5.00 0.00 -0.22 -5.06 105.19 108.04 1y0l n GLY 183 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.39 0.50 0.99 1.43 -1.25 -4.90 118.68 118.84 1y0l s LEU 184 Ca 0.00 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1y0l s LEU 184 Cb 0.00 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1y0l s LEU 184 CO 0.00 0.18 0.81 -0.31 0.23 0.00 0.00 176.35 177.26 1y0l s TYR 185 N -1.28 3.51 -0.15 0.29 2.02 -0.01 -1.07 117.35 120.66 1y0l s TYR 185 Ca 0.25 0.78 -0.24 0.00 -0.37 0.00 0.00 57.07 57.49 1y0l s TYR 185 Cb -0.12 -2.38 0.06 0.00 -0.40 0.00 0.00 41.96 39.12 1y0l s TYR 185 CO 0.17 -0.38 0.61 0.45 -1.57 0.00 0.00 175.55 174.83 1y0l s SER 186 N -4.14 -0.60 0.21 2.29 0.15 -0.77 -0.97 113.70 109.87 1y0l s SER 186 Ca 0.49 0.97 -0.19 0.00 0.70 0.00 0.00 55.95 57.91 1y0l s SER 186 Cb -0.10 0.95 0.03 0.00 -1.71 0.00 0.00 66.02 65.18 1y0l s SER 186 CO 0.45 -0.36 0.58 -1.48 1.20 0.00 0.00 173.24 173.63 1y0l s LEU 187 N -0.32 -0.09 0.10 3.45 0.05 0.48 -0.82 118.68 121.54 1y0l s LEU 187 Ca -0.05 -0.47 0.07 0.00 0.05 0.00 0.00 54.13 53.73 1y0l s LEU 187 Cb -0.03 2.33 -0.03 0.00 -2.05 0.00 0.00 46.19 46.40 1y0l s LEU 187 CO 0.04 -1.12 -0.19 -0.44 -0.55 0.00 0.00 176.35 174.09 1y0l s SER 188 N -2.88 2.32 -0.06 1.48 0.01 -1.26 -0.38 113.70 112.93 1y0l s SER 188 Ca 0.09 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1y0l s SER 188 Cb -0.02 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.12 1y0l s SER 188 CO -0.01 0.01 -0.03 -0.55 0.41 0.00 0.00 173.24 173.07 1y0l s SER 189 N -1.94 1.20 0.23 2.44 0.15 -0.46 -1.14 113.70 114.19 1y0l s SER 189 Ca 0.05 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.64 1y0l s SER 189 Cb -0.10 -0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 63.71 1y0l s SER 189 CO 0.04 -0.11 -0.05 0.68 1.20 0.00 0.00 173.24 175.00 1y0l s VAL 190 N 1.33 1.32 -0.11 4.45 -7.23 -0.18 0.04 120.40 120.01 1y0l s VAL 190 Ca -0.05 -2.09 -0.24 0.00 -1.81 0.00 0.00 61.98 57.80 1y0l s VAL 190 Cb -0.13 -2.25 0.06 0.00 0.56 0.00 0.00 36.38 34.61 1y0l s VAL 190 CO -0.02 -0.42 0.58 0.54 -0.31 0.00 0.00 175.10 175.47 1y0l s VAL 191 N -3.23 0.01 -0.17 1.32 0.11 0.16 -0.60 120.40 118.00 1y0l s VAL 191 Ca 0.26 -0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 59.15 1y0l s VAL 191 Cb 0.04 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1y0l s VAL 191 CO 0.08 -0.05 0.06 0.42 -3.33 0.00 0.00 175.10 172.29 1y0l s THR 192 N -0.62 4.82 0.21 5.04 -4.23 -1.17 -2.06 115.64 117.63 1y0l s THR 192 Ca -0.07 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.45 1y0l s THR 192 Cb -0.03 -3.15 -0.05 0.00 1.34 0.00 0.00 72.50 70.61 1y0l s THR 192 CO 0.05 0.49 -0.02 0.68 -0.54 0.00 0.00 174.62 175.28 1y0l s VAL 193 N 0.11 1.03 0.28 2.29 -7.23 -0.44 -4.87 120.40 111.57 1y0l s VAL 193 Ca 0.05 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 57.89 1y0l s VAL 193 Cb -0.12 -2.23 -0.10 0.00 0.56 0.00 0.00 36.38 34.49 1y0l s VAL 193 CO 0.01 -0.42 1.29 -2.16 -0.31 0.00 0.00 175.10 173.51 1y0l s PRO 194 N -3.84 4.40 0.21 4.82 0.04 -1.26 -0.10 135.00 139.26 1y0l s PRO 194 Ca 0.26 2.12 -0.09 0.00 0.04 0.00 0.00 61.00 63.32 1y0l s PRO 194 Cb 0.05 -3.13 0.24 0.00 0.04 0.00 0.00 34.50 31.71 1y0l s PRO 194 CO 0.07 -0.17 1.81 0.77 0.04 0.00 0.00 177.00 179.51 1y0l h SER 195 N 4.19 0.56 0.06 6.66 0.02 -0.56 -1.63 113.55 122.85 1y0l h SER 195 Ca -0.47 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1y0l h SER 195 Cb 1.22 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1y0l h SER 195 CO 0.70 0.36 0.00 -1.54 -1.14 0.00 0.00 176.83 175.21 1y0l n SER 196 N -4.78 0.02 -0.08 3.07 3.41 -1.25 -0.97 113.62 113.04 1y0l n SER 196 Ca 0.08 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 1y0l n SER 196 Cb 0.17 -0.51 0.06 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.52 0.95 -4.61 4.04 3.41 -0.61 -4.80 113.62 110.49 1y0l n SER 197 Ca 0.00 -0.80 -0.43 0.00 -0.26 0.00 0.00 58.87 57.39 1y0l n SER 197 Cb 0.02 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 1y0l n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1y0l s LEU 198 N -2.90 3.59 0.00 1.04 1.43 -0.14 -0.36 118.68 121.35 1y0l s LEU 198 Ca 0.12 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1y0l s LEU 198 Cb 0.17 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1y0l s LEU 198 CO 0.75 -1.58 0.00 0.61 0.23 0.00 0.00 176.35 176.35 1y0l n GLY 199 N 5.24 1.80 0.10 -3.19 0.00 -1.26 -4.59 105.19 103.29 1y0l n GLY 199 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1y0l n GLY 199 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y0l n THR 200 N -0.16 0.93 -3.72 2.61 -1.04 -0.64 -4.99 114.28 107.27 1y0l n THR 200 Ca 0.00 -0.35 -0.37 0.00 -2.04 0.00 0.00 64.05 61.29 1y0l n THR 200 Cb 0.00 -1.11 -0.07 0.00 -1.82 0.00 0.00 70.33 67.34 1y0l n THR 200 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1y0l s GLN 203 N -2.32 3.81 -0.16 -2.82 2.00 0.52 -5.07 119.66 115.60 1y0l s GLN 203 Ca -0.22 -0.00 -0.19 0.00 -2.00 0.00 0.00 55.36 52.95 1y0l s GLN 203 Cb 0.06 -3.28 -0.03 0.00 0.80 0.00 0.00 33.01 30.56 1y0l s GLN 203 CO 0.37 0.58 0.54 0.99 -0.50 0.00 0.00 175.29 177.27 1y0l s THR 205 N -0.53 5.11 -0.25 -0.34 2.01 -1.26 -4.80 115.64 115.58 1y0l s THR 205 Ca 0.16 1.02 -0.04 0.00 0.31 0.00 0.00 61.69 63.14 1y0l s THR 205 Cb -0.13 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1y0l s THR 205 CO 0.05 0.22 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.87 1y0l s TYR 206 N 1.30 3.06 -0.08 4.92 2.02 -1.26 -4.95 117.35 122.37 1y0l s TYR 206 Ca 0.26 -1.20 0.03 0.00 -0.37 0.00 0.00 57.07 55.79 1y0l s TYR 206 Cb -0.16 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.28 1y0l s TYR 206 CO 0.10 -0.63 -0.16 0.42 -1.57 0.00 0.00 175.55 173.71 1y0l s ILE 207 N 1.42 1.46 -0.18 2.71 1.01 -1.26 -0.76 121.20 125.61 1y0l s ILE 207 Ca 0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 1y0l s ILE 207 Cb -0.16 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 1y0l s ILE 207 CO -0.02 0.43 0.11 0.00 0.00 0.00 0.00 174.94 175.46 1y0l s ASN 209 N 0.06 5.87 -0.11 0.00 -0.87 0.31 -1.98 114.94 118.21 1y0l s ASN 209 Ca 0.08 -0.82 -0.04 0.00 -1.57 0.00 0.00 52.86 50.50 1y0l s ASN 209 Cb -0.12 -2.08 -0.04 0.00 -0.02 0.00 0.00 41.25 39.00 1y0l s ASN 209 CO -0.00 -0.36 0.05 -0.69 -2.57 0.00 0.00 177.10 173.53 1y0l s VAL 210 N 1.62 4.75 -0.05 1.60 1.01 0.13 -1.50 120.40 127.96 1y0l s VAL 210 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1y0l s VAL 210 Cb -0.19 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1y0l s VAL 210 CO 0.08 0.58 -0.03 0.21 0.00 0.00 0.00 175.10 175.94 1y0l s ASN 211 N -0.68 1.14 -0.39 3.32 2.47 -0.26 -0.65 114.94 119.89 1y0l s ASN 211 Ca 0.12 -0.12 0.01 0.00 0.42 0.00 0.00 52.86 53.28 1y0l s ASN 211 Cb -0.12 -0.46 0.12 0.00 -1.45 0.00 0.00 41.25 39.34 1y0l s ASN 211 CO 0.02 -0.09 0.18 -2.28 -3.72 0.00 0.00 177.10 171.21 1y0l s HIS 212 N 1.20 2.00 0.13 0.43 5.65 0.51 -0.71 115.29 124.50 1y0l s HIS 212 Ca -0.07 -2.24 -0.19 0.00 0.25 0.00 0.00 55.06 52.81 1y0l s HIS 212 Cb -0.14 -1.90 -0.03 0.00 -1.18 0.00 0.00 32.58 29.33 1y0l s HIS 212 CO -0.02 -0.82 1.74 0.87 -0.65 0.00 0.00 174.74 175.86 1y0l h LYS 213 N 7.22 0.14 -1.04 2.88 1.57 -1.79 -0.94 116.57 124.60 1y0l h LYS 213 Ca -0.05 -0.01 0.30 0.00 -1.87 0.00 0.00 60.65 59.02 1y0l h LYS 213 Cb 0.96 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 1y0l h LYS 213 CO 0.48 0.09 0.99 -1.35 -0.57 0.00 0.00 179.45 179.10 1y0l h PRO 214 N 0.15 0.00 -0.02 3.15 0.11 -1.92 0.68 132.00 134.15 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 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1y0l h PRO 214 CO -0.11 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.55 1y0l n SER 215 N -3.62 2.19 -4.11 -2.05 3.41 -1.06 -4.91 113.62 103.48 1y0l n SER 215 Ca 0.23 -2.37 -0.31 0.00 -0.26 0.00 0.00 58.87 56.16 1y0l n SER 215 Cb 1.33 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.76 -1.57 -4.54 4.04 4.13 0.24 -4.91 115.26 111.89 1y0l n ASN 216 Ca 0.06 -1.03 -0.34 0.00 1.68 0.00 0.00 54.58 54.95 1y0l n ASN 216 Cb 0.40 -2.79 -0.12 0.00 -1.54 0.00 0.00 39.78 35.73 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 -3.69 3.98 -0.08 3.41 2.01 -0.41 -5.01 115.64 115.85 1y0l s THR 217 Ca 0.34 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1y0l s THR 217 Cb -0.19 -2.73 0.03 0.00 0.01 0.00 0.00 72.50 69.62 1y0l s THR 217 CO 0.92 0.52 -0.01 -0.54 -0.69 0.00 0.00 174.62 174.82 1y0l s LYS 218 N 0.08 0.69 -0.02 4.92 1.02 -1.26 -0.36 119.74 124.80 1y0l s LYS 218 Ca 0.00 0.07 0.04 0.00 0.02 0.00 0.00 55.97 56.11 1y0l s LYS 218 Cb -0.13 -1.03 -0.01 0.00 -0.52 0.00 0.00 37.83 36.14 1y0l s LYS 218 CO 0.03 -0.30 -0.15 0.08 -0.92 0.00 0.00 175.35 174.09 1y0l s VAL 219 N 1.94 1.19 -0.31 3.17 1.01 0.17 -5.00 120.40 122.58 1y0l s VAL 219 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1y0l s VAL 219 Cb -0.12 -1.01 0.09 0.00 0.00 0.00 0.00 36.38 35.34 1y0l s VAL 219 CO -0.06 0.34 0.05 -1.81 0.00 0.00 0.00 175.10 173.63 1y0l s ASP 220 N -0.14 4.39 -0.18 3.32 1.01 -1.26 0.22 116.67 124.04 1y0l s ASP 220 Ca 0.01 -1.84 -0.09 0.00 0.71 0.00 0.00 52.55 51.35 1y0l s ASP 220 Cb -0.08 -1.31 -0.05 0.00 1.01 0.00 0.00 42.92 42.50 1y0l s ASP 220 CO 0.00 -0.37 0.11 -0.75 0.21 0.00 0.00 175.17 174.38 1y0l s LYS 221 N 1.21 3.99 -0.13 8.23 2.47 -0.84 -4.92 119.74 129.75 1y0l s LYS 221 Ca 0.08 -0.23 -0.18 0.00 -1.56 0.00 0.00 55.97 54.08 1y0l s LYS 221 Cb -0.18 -3.32 -0.04 0.00 -1.46 0.00 0.00 37.83 32.82 1y0l s LYS 221 CO -0.14 0.39 0.46 0.21 0.16 0.00 0.00 175.35 176.43 1y0l s LYS 222 N 0.09 4.32 -0.27 4.03 2.20 -1.26 -1.33 119.74 127.52 1y0l s LYS 222 Ca 0.08 0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 56.02 1y0l s LYS 222 Cb -0.11 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1y0l s LYS 222 CO -0.00 0.14 0.11 0.08 -0.36 0.00 0.00 175.35 175.31 1y0l s VAL 223 N 0.68 4.51 0.24 4.02 1.01 0.06 -4.97 120.40 125.96 1y0l s VAL 223 Ca 0.25 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1y0l s VAL 223 Cb -0.15 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1y0l s VAL 223 CO 0.10 0.26 -0.09 -1.61 0.00 0.00 0.00 175.10 173.76 1y0l s GLU 226 N 1.63 1.43 -0.01 2.72 2.02 -1.26 -4.43 118.70 120.80 1y0l s GLU 226 Ca 0.06 -1.68 -0.30 0.00 0.02 0.00 0.00 54.97 53.06 1y0l s GLU 226 Cb -0.16 -1.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.94 1y0l s GLU 226 CO 0.05 0.09 1.34 -2.14 0.02 0.00 0.00 175.26 174.62 1y0l s PRO 227 N -3.70 4.31 0.23 0.39 0.02 -1.26 -4.45 135.00 130.53 1y0l s PRO 227 Ca 0.26 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 62.84 1y0l s PRO 227 Cb 0.02 -3.56 -0.11 0.00 0.02 0.00 0.00 34.50 30.87 1y0l s PRO 227 CO 0.09 -0.53 1.62 0.15 -0.33 0.00 0.00 177.00 178.00 1y0l s LYS 228 N 2.30 4.16 0.37 5.54 1.02 -1.26 -4.97 119.74 126.91 1y0l s LYS 228 Ca 0.61 2.51 -0.25 0.00 0.02 0.00 0.00 55.97 58.87 1y0l s LYS 228 Cb -0.29 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 1y0l s LYS 228 CO 0.25 -0.64 1.01 -1.54 -0.92 0.00 0.00 175.35 173.51 1y0l s SER 232 N 0.84 6.98 0.00 2.83 1.04 -1.26 -5.12 113.70 119.01 1y0l s SER 232 Ca 0.68 1.95 0.00 0.00 0.48 0.00 0.00 55.95 59.06 1y0l s SER 232 Cb -0.47 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.07 1y0l s SER 232 CO 0.39 -0.33 0.45 0.00 0.98 0.00 0.00 173.24 174.72