#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3b s GLN 2 N 0.00 4.17 0.06 0.00 0.74 -1.12 -4.13 119.66 119.37 1y3b s GLN 2 Ca 0.00 0.91 0.07 0.00 0.05 0.00 0.00 55.36 56.38 1y3b s GLN 2 Cb 0.00 -2.45 -0.03 0.00 1.10 0.00 0.00 33.01 31.63 1y3b s GLN 2 CO 0.00 0.14 -0.15 -1.12 -0.55 0.00 0.00 175.29 173.61 1y3b s SER 3 N -2.09 4.04 -0.38 6.67 0.01 -0.03 -4.97 113.70 116.94 1y3b s SER 3 Ca 0.55 -0.40 -0.10 0.00 1.31 0.00 0.00 55.95 57.31 1y3b s SER 3 Cb -0.12 -0.71 0.04 0.00 0.21 0.00 0.00 66.02 65.45 1y3b s SER 3 CO 0.17 0.24 0.21 -0.69 0.41 0.00 0.00 173.24 173.57 1y3b s VAL 4 N -1.01 4.41 0.60 3.43 1.01 -1.26 -2.10 120.40 125.47 1y3b s VAL 4 Ca 0.17 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 1y3b s VAL 4 Cb -0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1y3b s VAL 4 CO 0.08 -0.29 1.15 -2.65 0.00 0.00 0.00 175.10 173.38 1y3b n PRO 5 N 4.96 1.15 -0.08 2.72 -0.02 -1.26 -4.86 135.00 137.60 1y3b n PRO 5 Ca -0.12 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1y3b n PRO 5 Cb 0.45 -2.36 0.45 0.00 -0.02 0.00 0.00 33.50 32.02 1y3b n PRO 5 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1y3b h TYR 6 N 0.74 0.52 -0.17 6.00 -0.00 -1.95 -1.75 116.97 120.36 1y3b h TYR 6 Ca -0.50 0.01 -0.07 0.00 0.00 0.00 0.00 58.73 58.17 1y3b h TYR 6 Cb 1.34 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 37.89 1y3b h TYR 6 CO 0.40 0.28 -0.23 0.78 -0.00 0.00 0.00 178.16 179.39 1y3b h GLY 7 N 0.52 0.32 0.95 0.10 0.00 -1.95 0.14 103.07 103.16 1y3b h GLY 7 Ca 0.25 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1y3b h GLY 7 CO -0.07 0.22 0.12 -2.08 0.00 0.00 0.00 176.54 174.73 1y3b h VAL 8 N 0.27 1.23 -0.60 4.60 2.07 -1.67 -2.24 116.25 119.90 1y3b h VAL 8 Ca 0.05 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1y3b h VAL 8 Cb 0.56 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1y3b h VAL 8 CO 0.04 0.28 0.10 0.28 0.02 0.00 0.00 177.57 178.29 1y3b h SER 9 N 0.58 0.95 -0.16 0.57 0.02 -1.38 -2.67 113.55 111.46 1y3b h SER 9 Ca 0.14 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1y3b h SER 9 Cb 0.30 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1y3b h SER 9 CO -0.00 0.97 -0.00 -0.61 -1.14 0.00 0.00 176.83 176.05 1y3b h GLN 10 N 0.90 0.41 -0.04 3.45 4.15 -0.38 -1.25 115.11 122.35 1y3b h GLN 10 Ca 0.18 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1y3b h GLN 10 Cb 0.42 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1y3b h GLN 10 CO 0.01 0.44 0.00 0.44 -1.93 0.00 0.00 178.83 177.79 1y3b n ILE 11 N -4.32 0.05 -2.03 2.39 -5.35 -0.87 -4.92 119.36 104.30 1y3b n ILE 11 Ca 0.01 -0.17 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 1y3b n ILE 11 Cb 0.22 0.09 -0.01 0.00 -1.74 0.00 0.00 39.64 38.19 1y3b n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1y3b n LYS 12 N -0.25 -0.81 -0.31 6.28 5.02 -0.47 -0.99 118.16 126.63 1y3b n LYS 12 Ca 0.19 0.57 0.04 0.00 -2.02 0.00 0.00 58.31 57.08 1y3b n LYS 12 Cb 0.24 -4.62 0.23 0.00 -0.02 0.00 0.00 35.03 30.86 1y3b n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y3b h ALA 13 N 0.40 1.50 -0.40 7.82 0.00 -1.69 -2.60 119.26 124.30 1y3b h ALA 13 Ca -0.24 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1y3b h ALA 13 Cb 1.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1y3b h ALA 13 CO 0.29 0.36 0.29 -1.35 0.00 0.00 0.00 179.25 178.84 1y3b h PRO 14 N 1.04 0.00 -0.94 0.00 0.11 -1.88 -1.24 132.00 129.09 1y3b h PRO 14 Ca 0.39 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.54 1y3b h PRO 14 Cb 0.19 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.25 1y3b h PRO 14 CO -0.15 0.00 0.61 0.00 -0.21 0.00 0.00 178.00 178.26 1y3b h ALA 15 N 1.80 1.26 -0.20 -0.75 0.00 -1.86 0.31 119.26 119.82 1y3b h ALA 15 Ca 0.19 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1y3b h ALA 15 Cb 0.75 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1y3b h ALA 15 CO -0.00 0.47 -0.33 -0.07 0.00 0.00 0.00 179.25 179.32 1y3b h LEU 16 N 1.17 0.64 -0.85 0.00 -0.00 -1.35 -2.54 115.31 112.38 1y3b h LEU 16 Ca 0.38 -0.53 0.11 0.00 -0.00 0.00 0.00 57.88 57.84 1y3b h LEU 16 Cb 0.03 -0.18 -0.08 0.00 -0.00 0.00 0.00 40.66 40.43 1y3b h LEU 16 CO -0.13 1.04 0.48 0.45 -0.00 0.00 0.00 178.44 180.28 1y3b h HIS 17 N 0.25 0.86 0.00 1.13 3.86 -1.03 -1.42 115.15 118.80 1y3b h HIS 17 Ca 0.02 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1y3b h HIS 17 Cb 0.91 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 1y3b h HIS 17 CO 0.09 0.32 -0.32 0.66 0.86 0.00 0.00 177.93 179.54 1y3b h SER 18 N 0.77 0.00 1.02 2.45 4.64 -0.81 -1.34 113.55 120.28 1y3b h SER 18 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1y3b h SER 18 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1y3b h SER 18 CO -0.28 0.32 0.00 1.56 -0.87 0.00 0.00 176.83 177.56 1y3b h GLN 19 N 0.00 0.00 0.00 4.77 4.20 -0.92 -3.47 115.11 119.69 1y3b h GLN 19 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y3b h GLN 19 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1y3b h GLN 19 CO 0.04 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 1y3b n GLY 20 N 0.46 1.23 3.26 3.46 0.00 -0.50 -5.10 105.19 108.00 1y3b n GLY 20 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1y3b n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y3b s TYR 21 N -2.00 2.83 -0.01 1.61 2.02 -0.61 -4.97 117.35 116.22 1y3b s TYR 21 Ca 0.00 -1.08 0.01 0.00 -0.37 0.00 0.00 57.07 55.63 1y3b s TYR 21 Cb 0.00 -1.94 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1y3b s TYR 21 CO 0.00 -0.52 0.80 0.25 -1.57 0.00 0.00 175.55 174.51 1y3b n THR 22 N 4.28 0.15 -0.55 -0.71 -2.24 -1.26 -2.94 114.28 111.01 1y3b n THR 22 Ca -0.19 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1y3b n THR 22 Cb 0.51 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1y3b n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y3b n GLY 23 N -0.10 0.70 3.71 3.38 0.00 -1.26 -1.09 105.19 110.52 1y3b n GLY 23 Ca 0.01 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1y3b n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y3b n SER 24 N 0.48 3.29 0.00 1.61 2.88 -1.26 -1.88 113.62 118.74 1y3b n SER 24 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1y3b n SER 24 Cb 0.00 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.95 1y3b n SER 24 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1y3b n ASN 25 N 2.08 -4.20 -4.73 -3.46 3.02 -1.26 -4.75 115.26 101.95 1y3b n ASN 25 Ca 0.10 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.29 1y3b n ASN 25 Cb 0.34 -1.89 -0.08 0.00 -0.61 0.00 0.00 39.78 37.55 1y3b n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1y3b s VAL 26 N -1.58 5.37 -0.27 2.41 1.01 -0.79 -4.92 120.40 121.64 1y3b s VAL 26 Ca 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 1y3b s VAL 26 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1y3b s VAL 26 CO 0.00 0.42 0.34 -0.54 0.00 0.00 0.00 175.10 175.32 1y3b s LYS 27 N 0.42 4.01 -0.17 2.72 1.02 -1.26 -0.45 119.74 126.02 1y3b s LYS 27 Ca 0.11 -0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.09 1y3b s LYS 27 Cb -0.12 -3.65 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 1y3b s LYS 27 CO 0.00 -0.25 -0.20 0.08 -0.92 0.00 0.00 175.35 174.06 1y3b s VAL 28 N 2.00 2.03 -0.23 3.17 1.01 0.01 -0.77 120.40 127.61 1y3b s VAL 28 Ca 0.14 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1y3b s VAL 28 Cb -0.16 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1y3b s VAL 28 CO 0.10 0.54 0.55 0.00 0.00 0.00 0.00 175.10 176.29 1y3b s ALA 29 N 1.21 3.58 -0.51 5.51 0.00 -0.07 -0.82 121.76 130.65 1y3b s ALA 29 Ca 0.03 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.33 1y3b s ALA 29 Cb -0.13 -2.91 0.06 0.00 0.00 0.00 0.00 23.12 20.14 1y3b s ALA 29 CO -0.11 -0.64 0.65 0.08 0.00 0.00 0.00 175.76 175.74 1y3b s VAL 30 N 2.10 4.84 -0.46 0.00 1.01 -0.33 -1.16 120.40 126.41 1y3b s VAL 30 Ca 0.24 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 1y3b s VAL 30 Cb -0.16 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 31.95 1y3b s VAL 30 CO 0.09 -0.84 0.50 -0.63 0.00 0.00 0.00 175.10 174.23 1y3b s ILE 31 N 2.70 5.03 0.00 2.22 1.01 -0.52 -1.76 121.20 129.88 1y3b s ILE 31 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1y3b s ILE 31 Cb -0.19 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.12 1y3b s ILE 31 CO 0.12 -0.59 0.00 -0.67 0.00 0.00 0.00 174.94 173.80 1y3b n ASP 32 N 5.76 0.00 -0.78 3.58 -0.08 -0.40 -4.26 116.55 120.37 1y3b n ASP 32 Ca -0.08 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.25 1y3b n ASP 32 Cb 0.46 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.07 1y3b n ASP 32 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1y3b n SER 33 N 0.00 2.21 0.00 1.67 3.41 -1.26 -0.15 113.62 119.50 1y3b n SER 33 Ca 0.00 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1y3b n SER 33 Cb 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1y3b n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y3b n GLY 34 N 0.74 1.22 2.82 5.00 0.00 -1.26 -4.30 105.19 109.42 1y3b n GLY 34 Ca 0.11 -2.08 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 1y3b n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y3b s ILE 35 N -1.65 0.17 -0.71 -0.61 1.01 -0.51 -3.44 121.20 115.45 1y3b s ILE 35 Ca 0.00 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.47 1y3b s ILE 35 Cb 0.00 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 1y3b s ILE 35 CO 0.00 0.14 1.83 -0.62 0.00 0.00 0.00 174.94 176.29 1y3b s ASP 36 N 0.94 5.34 0.05 3.58 2.15 -1.26 -3.88 116.67 123.59 1y3b s ASP 36 Ca -0.09 -0.05 0.18 0.00 0.43 0.00 0.00 52.55 53.02 1y3b s ASP 36 Cb -0.13 -2.54 0.76 0.00 -0.30 0.00 0.00 42.92 40.71 1y3b s ASP 36 CO -0.02 -2.41 1.57 -1.54 -0.17 0.00 0.00 175.17 172.60 1y3b n SER 37 N 12.72 0.14 -0.01 -0.34 3.41 -1.15 -2.22 113.62 126.18 1y3b n SER 37 Ca 0.25 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.53 1y3b n SER 37 Cb 0.50 -0.56 0.65 0.00 -0.26 0.00 0.00 64.21 64.54 1y3b n SER 37 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1y3b n SER 38 N -1.65 0.05 -4.71 4.04 7.64 -1.26 -4.75 113.62 112.97 1y3b n SER 38 Ca 0.04 0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.67 1y3b n SER 38 Cb 0.21 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 1y3b n SER 38 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1y3b s HIS 39 N -2.82 2.91 -0.65 1.43 2.46 -0.94 -4.87 115.29 112.81 1y3b s HIS 39 Ca 0.20 0.54 0.20 0.00 0.47 0.00 0.00 55.06 56.46 1y3b s HIS 39 Cb 0.19 -3.95 0.85 0.00 -0.13 0.00 0.00 32.58 29.54 1y3b s HIS 39 CO 0.51 -3.59 1.61 -0.35 -2.47 0.00 0.00 174.74 170.45 1y3b n PRO 40 N 4.32 0.13 -0.62 2.88 -0.04 -1.26 -2.25 135.00 138.16 1y3b n PRO 40 Ca 0.14 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 64.08 1y3b n PRO 40 Cb 0.39 -1.75 0.36 0.00 -0.04 0.00 0.00 33.50 32.46 1y3b n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1y3b n ASP 41 N -1.99 4.79 -4.09 3.54 2.03 -1.26 -4.91 116.55 114.67 1y3b n ASP 41 Ca 0.02 -2.44 -0.17 0.00 0.52 0.00 0.00 54.79 52.73 1y3b n ASP 41 Cb 0.20 -0.58 -0.13 0.00 -0.72 0.00 0.00 41.12 39.89 1y3b n ASP 41 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1y3b s LEU 42 N -1.83 2.19 -0.23 -2.67 1.43 -0.95 -1.19 118.68 115.44 1y3b s LEU 42 Ca 0.52 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1y3b s LEU 42 Cb 0.33 -0.39 0.05 0.00 0.03 0.00 0.00 46.19 46.21 1y3b s LEU 42 CO 0.25 -0.06 -0.11 -0.75 0.23 0.00 0.00 176.35 175.91 1y3b s LYS 43 N -1.23 2.18 -0.22 1.70 2.20 -1.26 -4.76 119.74 118.35 1y3b s LYS 43 Ca -0.03 -1.06 -0.13 0.00 -0.36 0.00 0.00 55.97 54.39 1y3b s LYS 43 Cb -0.08 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 1y3b s LYS 43 CO 0.01 -0.48 0.29 0.08 -0.36 0.00 0.00 175.35 174.88 1y3b s VAL 44 N 1.27 5.28 -0.12 4.02 1.01 -1.26 -4.30 120.40 126.29 1y3b s VAL 44 Ca -0.04 0.46 0.16 0.00 0.00 0.00 0.00 61.98 62.55 1y3b s VAL 44 Cb -0.18 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1y3b s VAL 44 CO -0.07 0.30 1.08 0.00 0.00 0.00 0.00 175.10 176.40 1y3b h ALA 45 N 7.44 0.64 0.00 5.51 0.00 -0.91 -3.48 119.26 128.45 1y3b h ALA 45 Ca -0.37 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1y3b h ALA 45 Cb 1.17 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1y3b h ALA 45 CO 0.69 0.82 0.00 0.41 0.00 0.00 0.00 179.25 181.17 1y3b n GLY 46 N 1.33 -1.29 0.00 0.00 0.00 -1.22 -5.02 105.19 98.98 1y3b n GLY 46 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1y3b n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y3b n GLY 47 N -0.01 -1.11 3.54 -0.02 0.00 -1.26 -1.27 105.19 105.07 1y3b n GLY 47 Ca 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 1y3b n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3b s ALA 48 N -1.16 -1.86 -0.14 4.61 0.00 -0.43 -4.95 121.76 117.84 1y3b s ALA 48 Ca 0.00 1.39 -0.03 0.00 0.00 0.00 0.00 51.96 53.32 1y3b s ALA 48 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1y3b s ALA 48 CO 0.00 -0.39 -0.04 0.45 0.00 0.00 0.00 175.76 175.78 1y3b s SER 49 N -1.37 4.83 0.00 0.00 0.15 -1.26 -1.53 113.70 114.51 1y3b s SER 49 Ca -0.04 -0.09 0.21 0.00 0.70 0.00 0.00 55.95 56.73 1y3b s SER 49 Cb -0.00 -1.69 0.52 0.00 -1.71 0.00 0.00 66.02 63.13 1y3b s SER 49 CO 0.02 0.21 1.44 0.23 1.20 0.00 0.00 173.24 176.34 1y3b n MET 50 N 3.25 2.62 -3.18 5.44 2.81 0.08 -4.92 117.12 123.23 1y3b n MET 50 Ca -0.18 -2.43 -0.43 0.00 -1.81 0.00 0.00 57.70 52.86 1y3b n MET 50 Cb 0.53 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.46 1y3b n MET 50 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1y3b s VAL 51 N -1.14 4.92 0.30 2.03 1.01 -1.24 -4.75 120.40 121.53 1y3b s VAL 51 Ca 0.41 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.52 1y3b s VAL 51 Cb 0.22 -4.12 0.29 0.00 0.00 0.00 0.00 36.38 32.78 1y3b s VAL 51 CO 0.30 -0.47 1.84 -0.65 0.00 0.00 0.00 175.10 176.12 1y3b h PRO 52 N 8.74 0.89 -0.06 2.72 0.11 -1.97 -2.25 132.00 140.19 1y3b h PRO 52 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1y3b h PRO 52 Cb 1.11 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1y3b h PRO 52 CO 0.85 0.59 0.00 -1.13 -0.21 0.00 0.00 178.00 178.10 1y3b n SER 53 N -4.61 2.13 -3.58 -2.05 3.41 -1.26 -4.63 113.62 103.03 1y3b n SER 53 Ca 0.19 -1.71 -0.29 0.00 -0.26 0.00 0.00 58.87 56.79 1y3b n SER 53 Cb 0.39 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 1y3b n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1y3b s GLU 54 N -1.95 0.92 0.00 4.33 2.02 -0.85 -5.01 118.70 118.16 1y3b s GLU 54 Ca 0.34 -1.68 0.27 0.00 0.02 0.00 0.00 54.97 53.92 1y3b s GLU 54 Cb 0.20 -1.80 0.85 0.00 0.10 0.00 0.00 34.13 33.48 1y3b s GLU 54 CO 0.32 -1.19 1.63 0.25 0.02 0.00 0.00 175.26 176.28 1y3b n THR 55 N 3.76 0.00 -3.52 3.63 -2.24 -1.26 -4.40 114.28 110.25 1y3b n THR 55 Ca 0.11 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1y3b n THR 55 Cb 0.36 0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.69 1y3b n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1y3b s ASN 56 N -2.62 5.95 0.06 3.42 3.84 -1.26 -4.48 114.94 119.85 1y3b s ASN 56 Ca 0.22 -0.87 0.21 0.00 0.21 0.00 0.00 52.86 52.63 1y3b s ASN 56 Cb 0.19 -2.10 0.85 0.00 -0.55 0.00 0.00 41.25 39.64 1y3b s ASN 56 CO 0.54 -0.40 1.65 -0.81 -2.79 0.00 0.00 177.10 175.30 1y3b n PRO 57 N 5.09 0.05 -0.26 0.43 -0.04 -1.26 -3.05 135.00 135.95 1y3b n PRO 57 Ca -0.12 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1y3b n PRO 57 Cb 0.47 -1.59 0.27 0.00 -0.04 0.00 0.00 33.50 32.61 1y3b n PRO 57 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1y3b n PHE 58 N -1.69 0.69 -4.02 0.54 3.72 -1.26 -1.42 117.46 114.03 1y3b n PHE 58 Ca 0.04 -0.35 -0.34 0.00 -0.05 0.00 0.00 57.45 56.76 1y3b n PHE 58 Cb 0.24 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.63 1y3b n PHE 58 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1y3b s GLN 59 N -1.31 3.10 -0.44 -1.08 2.00 -1.17 -2.94 119.66 117.82 1y3b s GLN 59 Ca 0.41 -0.78 -0.09 0.00 -2.00 0.00 0.00 55.36 52.90 1y3b s GLN 59 Cb 0.22 -2.80 0.10 0.00 0.80 0.00 0.00 33.01 31.34 1y3b s GLN 59 CO 0.30 -0.24 0.30 0.34 -0.50 0.00 0.00 175.29 175.49 1y3b s ASP 60 N 1.36 5.63 0.00 6.67 2.15 -1.26 -4.61 116.67 126.62 1y3b s ASP 60 Ca 0.04 -1.76 0.29 0.00 0.43 0.00 0.00 52.55 51.56 1y3b s ASP 60 Cb -0.14 -1.98 1.33 0.00 -0.30 0.00 0.00 42.92 41.83 1y3b s ASP 60 CO -0.08 -0.62 1.92 0.59 -0.17 0.00 0.00 175.17 176.81 1y3b n ASN 61 N 4.88 0.48 -0.10 -0.34 3.02 -1.26 -3.95 115.26 117.98 1y3b n ASN 61 Ca -0.08 -0.71 -0.18 0.00 -0.03 0.00 0.00 54.58 53.58 1y3b n ASN 61 Cb 0.42 -0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.43 1y3b n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1y3b n ASN 62 N -0.86 2.07 0.00 6.41 2.85 -1.26 -4.76 115.26 119.72 1y3b n ASN 62 Ca 0.16 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1y3b n ASN 62 Cb 0.26 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 40.84 1y3b n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1y3b n SER 63 N -3.43 0.00 0.05 1.20 3.41 -1.25 -4.98 113.62 108.61 1y3b n SER 63 Ca -0.38 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.10 1y3b n SER 63 Cb 0.85 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.72 1y3b n SER 63 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1y3b h HIS 64 N 0.00 -0.07 -0.71 7.33 6.17 -1.92 -2.43 115.15 123.51 1y3b h HIS 64 Ca 0.00 -0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.13 1y3b h HIS 64 Cb 0.00 0.02 -0.04 0.00 2.52 0.00 0.00 27.41 29.91 1y3b h HIS 64 CO 0.00 0.14 0.47 0.78 0.71 0.00 0.00 177.93 180.03 1y3b h GLY 65 N -0.28 0.95 1.09 5.26 0.00 -1.87 -1.47 103.07 106.74 1y3b h GLY 65 Ca -0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1y3b h GLY 65 CO 0.01 0.24 0.01 -0.84 0.00 0.00 0.00 176.54 175.96 1y3b h THR 66 N 0.78 1.27 -0.02 4.70 2.02 -1.54 0.79 112.91 120.90 1y3b h THR 66 Ca 0.30 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1y3b h THR 66 Cb 0.20 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1y3b h THR 66 CO -0.10 0.42 -0.00 -0.74 0.37 0.00 0.00 175.52 175.47 1y3b h HIS 67 N 0.99 0.05 -0.51 3.16 6.17 -0.86 -2.04 115.15 122.10 1y3b h HIS 67 Ca 0.18 -0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.34 1y3b h HIS 67 Cb 0.56 -0.01 -0.07 0.00 2.52 0.00 0.00 27.41 30.40 1y3b h HIS 67 CO 0.04 0.36 0.10 0.28 0.71 0.00 0.00 177.93 179.41 1y3b h VAL 68 N -0.28 0.70 -0.84 5.26 2.07 -1.27 -2.42 116.25 119.48 1y3b h VAL 68 Ca 0.01 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1y3b h VAL 68 Cb 0.34 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1y3b h VAL 68 CO 0.00 0.04 0.55 0.00 0.02 0.00 0.00 177.57 178.18 1y3b h ALA 69 N 1.41 1.09 -0.21 1.67 0.00 -0.73 -2.22 119.26 120.27 1y3b h ALA 69 Ca 0.26 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1y3b h ALA 69 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1y3b h ALA 69 CO -0.34 0.41 -0.09 0.78 0.00 0.00 0.00 179.25 180.01 1y3b h GLY 70 N 1.09 0.35 1.03 0.00 0.00 -0.90 0.19 103.07 104.82 1y3b h GLY 70 Ca 0.32 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.34 1y3b h GLY 70 CO -0.10 0.19 -0.11 -0.84 0.00 0.00 0.00 176.54 175.69 1y3b h THR 71 N 0.31 1.27 -0.13 4.70 2.02 -1.09 -1.12 112.91 118.87 1y3b h THR 71 Ca 0.07 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1y3b h THR 71 Cb 0.35 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1y3b h THR 71 CO 0.02 0.42 0.09 0.58 0.37 0.00 0.00 175.52 177.00 1y3b h VAL 72 N 0.73 1.05 0.00 3.16 2.07 -0.92 -1.08 116.25 121.26 1y3b h VAL 72 Ca 0.12 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1y3b h VAL 72 Cb 0.66 0.89 -0.14 0.00 -1.52 0.00 0.00 31.29 31.18 1y3b h VAL 72 CO 0.05 0.05 -0.39 0.00 0.02 0.00 0.00 177.57 177.30 1y3b n ALA 73 N -2.14 2.94 -1.67 1.67 0.00 0.01 -0.34 120.51 120.98 1y3b n ALA 73 Ca -0.05 -0.88 -0.43 0.00 0.00 0.00 0.00 53.44 52.08 1y3b n ALA 73 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 1y3b n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y3b n ALA 74 N 0.10 0.85 -1.76 0.00 0.00 -0.43 -4.61 120.51 114.66 1y3b n ALA 74 Ca -0.13 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.32 1y3b n ALA 74 Cb 0.74 -2.19 0.02 0.00 0.00 0.00 0.00 19.45 18.02 1y3b n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y3b s LEU 75 N -0.56 3.82 -0.49 0.00 1.43 -0.33 -0.77 118.68 121.77 1y3b s LEU 75 Ca 0.57 2.40 -0.23 0.00 -1.03 0.00 0.00 54.13 55.83 1y3b s LEU 75 Cb -0.61 -4.42 0.04 0.00 0.03 0.00 0.00 46.19 41.22 1y3b s LEU 75 CO 0.61 -1.31 0.82 0.21 0.23 0.00 0.00 176.35 176.91 1y3b s ASN 76 N -1.43 6.37 0.00 2.29 2.47 -1.26 -4.58 114.94 118.79 1y3b s ASN 76 Ca 0.71 -0.29 0.00 0.00 0.42 0.00 0.00 52.86 53.71 1y3b s ASN 76 Cb -0.31 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 1y3b s ASN 76 CO 0.35 -1.03 0.00 -0.46 -3.72 0.00 0.00 177.10 172.25 1y3b n ASN 77 N 6.92 0.00 -1.74 -4.21 0.23 -1.26 -5.05 115.26 110.16 1y3b n ASN 77 Ca 0.01 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.11 1y3b n ASN 77 Cb 0.48 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.54 1y3b n ASN 77 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1y3b n SER 78 N 0.00 5.23 -4.24 0.53 3.41 -1.26 -4.47 113.62 112.82 1y3b n SER 78 Ca 0.00 -3.02 -0.14 0.00 -0.26 0.00 0.00 58.87 55.45 1y3b n SER 78 Cb 0.00 -0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 63.17 1y3b n SER 78 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1y3b s ILE 79 N -2.84 1.14 0.00 -1.33 -4.36 -1.26 -2.18 121.20 110.37 1y3b s ILE 79 Ca 0.53 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 1y3b s ILE 79 Cb 0.41 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 42.29 1y3b s ILE 79 CO 0.14 -0.75 0.00 0.61 0.24 0.00 0.00 174.94 175.18 1y3b n GLY 80 N -0.18 3.23 3.79 6.27 0.00 -1.26 -4.52 105.19 112.52 1y3b n GLY 80 Ca -0.10 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1y3b n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y3b s VAL 81 N 0.00 2.41 -0.10 1.61 -7.23 -1.26 -0.85 120.40 114.97 1y3b s VAL 81 Ca 0.00 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1y3b s VAL 81 Cb 0.00 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 1y3b s VAL 81 CO 0.00 0.00 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.50 1y3b s LEU 82 N -3.98 3.14 0.64 1.32 2.96 -0.89 -4.46 118.68 117.40 1y3b s LEU 82 Ca 0.43 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 1y3b s LEU 82 Cb 0.01 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 45.01 1y3b s LEU 82 CO 0.24 0.28 0.98 -0.83 -1.32 0.00 0.00 176.35 175.70 1y3b s GLY 83 N -0.31 1.62 0.17 7.98 0.00 0.05 -4.59 107.32 112.23 1y3b s GLY 83 Ca 0.04 -0.59 -0.14 0.00 0.00 0.00 0.00 44.72 44.03 1y3b s GLY 83 CO 0.02 -0.27 1.81 -2.08 0.00 0.00 0.00 173.10 172.59 1y3b h VAL 84 N -0.39 1.16 -2.49 1.40 2.07 -1.08 -3.35 116.25 113.57 1y3b h VAL 84 Ca -0.45 -0.34 -0.60 0.00 0.82 0.00 0.00 66.70 66.13 1y3b h VAL 84 Cb 1.26 0.43 -0.41 0.00 -1.52 0.00 0.00 31.29 31.05 1y3b h VAL 84 CO 0.62 0.16 -0.72 0.00 0.02 0.00 0.00 177.57 177.65 1y3b n ALA 85 N -2.26 3.43 0.34 1.67 0.00 0.53 -4.90 120.51 119.32 1y3b n ALA 85 Ca 0.03 -4.24 0.11 0.00 0.00 0.00 0.00 53.44 49.34 1y3b n ALA 85 Cb 0.05 -0.91 0.50 0.00 0.00 0.00 0.00 19.45 19.09 1y3b n ALA 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1y3b n PRO 86 N 1.59 0.18 -0.08 0.00 -0.04 -1.01 -1.59 135.00 134.06 1y3b n PRO 86 Ca 0.25 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 1y3b n PRO 86 Cb 0.42 -1.88 0.17 0.00 -0.04 0.00 0.00 33.50 32.17 1y3b n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1y3b n SER 87 N -2.22 3.09 -4.73 3.54 7.64 -0.25 -4.46 113.62 116.24 1y3b n SER 87 Ca 0.01 -1.97 -0.36 0.00 1.01 0.00 0.00 58.87 57.56 1y3b n SER 87 Cb 0.18 -0.10 0.08 0.00 -1.01 0.00 0.00 64.21 63.36 1y3b n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y3b s ALA 88 N -1.80 2.25 -0.44 -0.43 0.00 -0.62 -4.03 121.76 116.69 1y3b s ALA 88 Ca 0.33 1.07 -0.25 0.00 0.00 0.00 0.00 51.96 53.10 1y3b s ALA 88 Cb 0.21 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1y3b s ALA 88 CO 0.31 -1.73 0.88 -1.12 0.00 0.00 0.00 175.76 174.11 1y3b s SER 89 N -1.67 6.51 -0.22 0.00 0.01 0.40 -4.97 113.70 113.76 1y3b s SER 89 Ca 0.79 0.15 -0.11 0.00 1.31 0.00 0.00 55.95 58.09 1y3b s SER 89 Cb -0.34 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.41 1y3b s SER 89 CO 0.42 -0.97 0.18 -0.22 0.41 0.00 0.00 173.24 173.06 1y3b s LEU 90 N 3.57 4.15 -0.15 2.44 2.96 -1.26 -0.81 118.68 129.57 1y3b s LEU 90 Ca 0.35 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1y3b s LEU 90 Cb -0.11 -2.15 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 1y3b s LEU 90 CO 0.24 0.08 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.87 1y3b s TYR 91 N 0.90 2.76 -0.47 5.38 1.51 -0.00 -0.17 117.35 127.25 1y3b s TYR 91 Ca 0.09 -1.03 -0.24 0.00 -1.01 0.00 0.00 57.07 54.87 1y3b s TYR 91 Cb -0.13 -1.86 0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1y3b s TYR 91 CO 0.03 -0.46 0.88 0.00 -1.11 0.00 0.00 175.55 174.90 1y3b s ALA 92 N 0.74 3.24 -0.52 3.71 0.00 -0.39 -1.18 121.76 127.36 1y3b s ALA 92 Ca -0.07 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 1y3b s ALA 92 Cb -0.16 -3.60 0.14 0.00 0.00 0.00 0.00 23.12 19.50 1y3b s ALA 92 CO 0.01 -2.07 0.33 0.08 0.00 0.00 0.00 175.76 174.10 1y3b s VAL 93 N 3.63 3.54 -0.36 0.00 1.01 -0.72 -1.32 120.40 126.19 1y3b s VAL 93 Ca 0.34 -2.47 -0.25 0.00 0.00 0.00 0.00 61.98 59.59 1y3b s VAL 93 Cb -0.11 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1y3b s VAL 93 CO 0.24 -0.79 0.90 -0.75 0.00 0.00 0.00 175.10 174.70 1y3b s LYS 94 N 0.58 3.83 0.00 2.72 2.20 -0.58 -1.27 119.74 127.21 1y3b s LYS 94 Ca 0.12 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1y3b s LYS 94 Cb -0.22 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.30 1y3b s LYS 94 CO -0.04 -0.92 0.36 1.33 -0.36 0.00 0.00 175.35 175.72 1y3b n VAL 95 N 5.92 0.05 -5.10 4.02 0.24 0.78 -0.74 118.33 123.51 1y3b n VAL 95 Ca 0.06 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.34 61.70 1y3b n VAL 95 Cb 0.48 1.30 -0.15 0.00 -1.47 0.00 0.00 33.84 34.00 1y3b n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1y3b s LEU 96 N -0.05 2.25 0.00 1.34 1.43 -0.93 -4.33 118.68 118.39 1y3b s LEU 96 Ca 0.00 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1y3b s LEU 96 Cb 0.00 -1.39 0.06 0.00 0.03 0.00 0.00 46.19 44.89 1y3b s LEU 96 CO 0.00 0.31 0.39 0.61 0.23 0.00 0.00 176.35 177.89 1y3b n GLY 97 N 2.22 0.22 0.38 -3.19 0.00 -0.69 -4.47 105.19 99.66 1y3b n GLY 97 Ca -0.16 -1.91 0.24 0.00 0.00 0.00 0.00 46.02 44.18 1y3b n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y3b h ALA 98 N -0.87 2.12 -0.06 4.61 0.00 -1.89 -0.72 119.26 122.46 1y3b h ALA 98 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y3b h ALA 98 Cb 0.44 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1y3b h ALA 98 CO 0.12 -0.62 0.00 -0.40 0.00 0.00 0.00 179.25 178.35 1y3b n ASP 99 N -4.80 0.46 0.00 0.00 5.68 -1.26 -4.30 116.55 112.33 1y3b n ASP 99 Ca 0.29 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 1y3b n ASP 99 Cb 0.94 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.88 1y3b n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y3b n GLY 100 N 0.81 0.58 3.28 6.12 0.00 -0.28 -5.04 105.19 110.66 1y3b n GLY 100 Ca 0.11 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1y3b n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y3b s SER 101 N -2.12 2.29 0.05 1.61 1.04 -1.26 -4.86 113.70 110.45 1y3b s SER 101 Ca 0.00 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.49 1y3b s SER 101 Cb 0.00 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.02 1y3b s SER 101 CO 0.00 -0.10 0.23 -0.83 0.98 0.00 0.00 173.24 173.53 1y3b s GLY 102 N -2.54 -0.02 0.51 7.32 0.00 -1.26 -1.70 107.32 109.63 1y3b s GLY 102 Ca 0.12 -0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.39 1y3b s GLY 102 CO 0.04 -0.44 1.08 1.20 0.00 0.00 0.00 173.10 174.99 1y3b s GLN 103 N -2.84 3.62 0.27 2.90 -1.52 -1.26 -4.94 119.66 115.90 1y3b s GLN 103 Ca -0.03 1.50 -0.01 0.00 -1.95 0.00 0.00 55.36 54.87 1y3b s GLN 103 Cb 0.00 -2.09 0.50 0.00 -0.22 0.00 0.00 33.01 31.21 1y3b s GLN 103 CO -0.05 -0.60 1.81 1.88 -0.25 0.00 0.00 175.29 178.07 1y3b h TYR 104 N 1.47 0.96 -0.17 0.91 -1.99 -2.00 -0.64 116.97 115.50 1y3b h TYR 104 Ca -0.50 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.26 1y3b h TYR 104 Cb 1.24 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 39.67 1y3b h TYR 104 CO 0.54 0.35 0.10 0.66 -0.00 0.00 0.00 178.16 179.81 1y3b h SER 105 N 0.83 0.20 -0.35 3.88 4.64 -1.99 -0.95 113.55 119.81 1y3b h SER 105 Ca 0.46 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.71 1y3b h SER 105 Cb 0.50 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1y3b h SER 105 CO -0.29 0.16 -0.01 -0.50 -0.87 0.00 0.00 176.83 175.33 1y3b h TRP 106 N 0.24 0.68 -0.53 4.77 6.55 -1.41 -0.86 115.95 125.39 1y3b h TRP 106 Ca 0.06 -0.12 -0.03 0.00 0.95 0.00 0.00 58.89 59.76 1y3b h TRP 106 Cb -0.00 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.10 1y3b h TRP 106 CO 0.00 0.73 0.23 0.82 -1.05 0.00 0.00 178.44 179.18 1y3b h ILE 107 N 0.43 1.21 -0.52 1.49 5.03 -1.17 -1.59 117.51 122.39 1y3b h ILE 107 Ca 0.10 -0.62 -0.02 0.00 -0.12 0.00 0.00 64.86 64.19 1y3b h ILE 107 Cb 0.47 0.64 -0.02 0.00 -3.03 0.00 0.00 36.82 34.87 1y3b h ILE 107 CO 0.02 0.24 0.23 0.40 -0.68 0.00 0.00 178.15 178.36 1y3b h ILE 108 N 0.71 1.21 -0.54 -0.67 2.04 -1.13 -0.48 117.51 118.66 1y3b h ILE 108 Ca 0.18 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1y3b h ILE 108 Cb 0.16 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1y3b h ILE 108 CO -0.02 0.24 0.36 0.78 0.00 0.00 0.00 178.15 179.51 1y3b h ASN 109 N 0.70 0.56 -0.21 1.72 2.35 -0.92 0.28 115.58 120.06 1y3b h ASN 109 Ca 0.18 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 1y3b h ASN 109 Cb 0.16 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1y3b h ASN 109 CO -0.02 0.40 -0.33 1.23 -1.65 0.00 0.00 177.43 177.06 1y3b h GLY 110 N 0.66 0.66 1.01 2.83 0.00 -0.47 -0.21 103.07 107.54 1y3b h GLY 110 Ca 0.21 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1y3b h GLY 110 CO -0.05 0.67 0.36 -2.22 0.00 0.00 0.00 176.54 175.30 1y3b h ILE 111 N 0.29 1.22 -0.71 2.60 2.04 -0.62 -1.25 117.51 121.09 1y3b h ILE 111 Ca 0.02 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1y3b h ILE 111 Cb 0.92 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1y3b h ILE 111 CO 0.08 0.25 0.42 -0.33 0.00 0.00 0.00 178.15 178.57 1y3b h GLU 112 N 0.96 0.96 -0.63 2.37 4.39 -0.85 -1.33 114.58 120.45 1y3b h GLU 112 Ca 0.24 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.89 1y3b h GLU 112 Cb 0.07 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 1y3b h GLU 112 CO -0.04 0.68 0.39 2.35 -1.16 0.00 0.00 179.01 181.23 1y3b h TRP 113 N 0.96 0.72 -0.66 4.33 7.01 -0.77 -0.80 115.95 126.75 1y3b h TRP 113 Ca 0.25 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 1y3b h TRP 113 Cb -0.03 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 1y3b h TRP 113 CO -0.01 0.41 0.38 0.00 -2.79 0.00 0.00 178.44 176.43 1y3b h ALA 114 N 1.28 0.84 -0.19 2.65 0.00 -0.69 -0.34 119.26 122.82 1y3b h ALA 114 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1y3b h ALA 114 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1y3b h ALA 114 CO -0.11 0.33 0.08 0.82 0.00 0.00 0.00 179.25 180.37 1y3b h ILE 115 N 0.89 1.15 0.00 0.00 2.04 -0.90 -1.76 117.51 118.94 1y3b h ILE 115 Ca 0.23 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1y3b h ILE 115 Cb 0.00 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1y3b h ILE 115 CO -0.04 0.15 -0.17 0.00 0.00 0.00 0.00 178.15 178.08 1y3b h ALA 116 N 0.93 1.29 -0.62 1.87 0.00 -0.77 -2.46 119.26 119.49 1y3b h ALA 116 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y3b h ALA 116 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1y3b h ALA 116 CO -0.01 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.55 1y3b n ASN 117 N -3.71 5.06 -3.60 0.00 3.02 -0.17 -4.97 115.26 110.90 1y3b n ASN 117 Ca -0.02 -2.61 -0.23 0.00 -0.03 0.00 0.00 54.58 51.70 1y3b n ASN 117 Cb 0.29 -0.61 0.07 0.00 -0.61 0.00 0.00 39.78 38.92 1y3b n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1y3b n ASN 118 N 0.94 -4.99 -4.77 6.41 3.02 -0.93 -4.97 115.26 109.99 1y3b n ASN 118 Ca 0.26 -0.60 -0.41 0.00 -0.03 0.00 0.00 54.58 53.81 1y3b n ASN 118 Cb 0.99 -4.88 -0.02 0.00 -0.61 0.00 0.00 39.78 35.26 1y3b n ASN 118 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1y3b s MET 119 N -6.12 4.37 0.05 3.52 -1.94 -0.69 -4.87 119.30 113.63 1y3b s MET 119 Ca 0.44 2.19 0.11 0.00 -1.71 0.00 0.00 55.69 56.72 1y3b s MET 119 Cb -0.20 -3.08 -0.19 0.00 2.01 0.00 0.00 34.83 33.37 1y3b s MET 119 CO 0.75 -0.16 0.98 -0.44 -0.01 0.00 0.00 175.02 176.14 1y3b h ASP 120 N 3.42 0.00 -3.72 3.03 3.32 -1.30 -3.43 116.42 117.74 1y3b h ASP 120 Ca -0.49 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.34 1y3b h ASP 120 Cb 1.23 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.49 1y3b h ASP 120 CO 0.66 0.93 -0.67 -0.69 -1.72 0.00 0.00 179.24 177.75 1y3b s VAL 121 N -2.70 -0.01 -0.09 -1.35 1.01 -0.83 -1.34 120.40 115.10 1y3b s VAL 121 Ca -0.02 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1y3b s VAL 121 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.38 1y3b s VAL 121 CO 0.82 0.01 -0.16 -0.63 0.00 0.00 0.00 175.10 175.13 1y3b s ILE 122 N 0.13 2.81 -0.13 2.22 1.01 0.04 -0.89 121.20 126.39 1y3b s ILE 122 Ca -0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1y3b s ILE 122 Cb -0.02 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1y3b s ILE 122 CO -0.00 0.55 -0.07 0.21 0.00 0.00 0.00 174.94 175.63 1y3b s ASN 123 N -0.03 4.52 -0.43 3.58 2.47 -0.31 -1.32 114.94 123.43 1y3b s ASN 123 Ca -0.04 -0.17 0.03 0.00 0.42 0.00 0.00 52.86 53.09 1y3b s ASN 123 Cb -0.14 -1.61 0.12 0.00 -1.45 0.00 0.00 41.25 38.17 1y3b s ASN 123 CO 0.04 0.20 0.20 -0.04 -3.72 0.00 0.00 177.10 173.78 1y3b s MET 124 N 0.14 1.43 -1.42 0.43 -1.94 0.12 -1.44 119.30 116.62 1y3b s MET 124 Ca -0.03 -2.04 -0.09 0.00 -1.71 0.00 0.00 55.69 51.82 1y3b s MET 124 Cb -0.14 -2.69 0.06 0.00 2.01 0.00 0.00 34.83 34.07 1y3b s MET 124 CO 0.04 -1.09 2.43 0.43 -0.01 0.00 0.00 175.02 176.81 1y3b n SER 125 N 3.70 7.14 -3.64 3.03 7.64 -1.26 -1.98 113.62 128.25 1y3b n SER 125 Ca 0.05 -2.94 -0.08 0.00 1.01 0.00 0.00 58.87 56.91 1y3b n SER 125 Cb 0.36 -1.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.06 1y3b n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1y3b s LEU 126 N -0.55 -0.37 0.00 -3.43 0.05 -1.26 -4.81 118.68 108.31 1y3b s LEU 126 Ca 0.55 -0.28 0.00 0.00 0.05 0.00 0.00 54.13 54.45 1y3b s LEU 126 Cb 0.16 2.50 0.00 0.00 -2.05 0.00 0.00 46.19 46.80 1y3b s LEU 126 CO -0.06 -1.05 0.00 0.61 -0.55 0.00 0.00 176.35 175.30 1y3b n GLY 127 N -0.40 -0.13 3.49 -3.48 0.00 -1.26 -4.51 105.19 98.89 1y3b n GLY 127 Ca -0.10 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1y3b n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y3b s GLY 128 N 0.00 0.23 0.40 -0.02 0.00 -0.01 -4.95 107.32 102.97 1y3b s GLY 128 Ca 0.00 -0.58 0.28 0.00 0.00 0.00 0.00 44.72 44.42 1y3b s GLY 128 CO 0.00 -0.51 1.82 -0.56 0.00 0.00 0.00 173.10 173.85 1y3b h PRO 129 N 2.31 0.00 -6.76 2.90 0.13 -1.96 -0.03 132.00 128.59 1y3b h PRO 129 Ca -0.29 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.17 1y3b h PRO 129 Cb 1.25 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.18 1y3b h PRO 129 CO 0.40 0.00 -0.83 -1.12 -0.23 0.00 0.00 178.00 176.22 1y3b s SER 130 N -5.16 3.59 0.46 1.44 0.01 -1.26 -4.76 113.70 108.02 1y3b s SER 130 Ca 0.04 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.63 1y3b s SER 130 Cb 0.09 -0.36 0.07 0.00 0.21 0.00 0.00 66.02 66.03 1y3b s SER 130 CO 0.52 0.16 0.55 0.61 0.41 0.00 0.00 173.24 175.49 1y3b n GLY 131 N 0.69 1.43 3.21 3.44 0.00 -1.26 -4.70 105.19 107.99 1y3b n GLY 131 Ca -0.16 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 1y3b n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y3b s SER 132 N -3.38 -0.08 0.25 1.61 1.04 -1.26 -5.02 113.70 106.86 1y3b s SER 132 Ca 0.40 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 1y3b s SER 132 Cb -0.03 0.31 0.46 0.00 0.10 0.00 0.00 66.02 66.86 1y3b s SER 132 CO 0.26 -0.52 1.77 0.00 0.98 0.00 0.00 173.24 175.73 1y3b h ALA 133 N 3.62 1.18 -0.21 5.32 0.00 -2.00 -0.53 119.26 126.63 1y3b h ALA 133 Ca -0.31 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1y3b h ALA 133 Cb 1.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1y3b h ALA 133 CO 0.44 -0.05 -0.37 0.00 0.00 0.00 0.00 179.25 179.27 1y3b h ALA 134 N 1.51 0.96 -0.15 0.00 0.00 -1.99 0.15 119.26 119.75 1y3b h ALA 134 Ca 0.42 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1y3b h ALA 134 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1y3b h ALA 134 CO -0.32 0.62 -0.09 1.25 0.00 0.00 0.00 179.25 180.70 1y3b h LEU 135 N 0.39 0.34 -0.83 0.00 5.85 -1.74 -1.82 115.31 117.50 1y3b h LEU 135 Ca 0.04 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1y3b h LEU 135 Cb 0.83 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1y3b h LEU 135 CO 0.07 0.70 0.52 0.50 -0.34 0.00 0.00 178.44 179.89 1y3b h LYS 136 N -0.02 0.97 -0.68 1.25 3.64 -1.00 -2.15 116.57 118.58 1y3b h LYS 136 Ca 0.03 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1y3b h LYS 136 Cb 0.58 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1y3b h LYS 136 CO 0.03 0.64 0.32 0.00 -2.27 0.00 0.00 179.45 178.17 1y3b h ALA 137 N 1.37 1.28 -0.15 5.00 0.00 -0.82 0.14 119.26 126.07 1y3b h ALA 137 Ca 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1y3b h ALA 137 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1y3b h ALA 137 CO -0.14 0.55 -0.04 0.00 0.00 0.00 0.00 179.25 179.63 1y3b h ALA 138 N 1.39 0.21 -0.46 0.00 0.00 -0.78 0.29 119.26 119.92 1y3b h ALA 138 Ca 0.24 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1y3b h ALA 138 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1y3b h ALA 138 CO -0.03 -0.03 -0.23 -0.39 0.00 0.00 0.00 179.25 178.57 1y3b h VAL 139 N -0.00 1.27 -0.78 0.00 -1.51 -1.29 -1.52 116.25 112.42 1y3b h VAL 139 Ca 0.04 -1.39 -0.02 0.00 -1.23 0.00 0.00 66.70 64.10 1y3b h VAL 139 Cb 0.47 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 30.74 1y3b h VAL 139 CO 0.02 0.48 0.39 0.44 -1.23 0.00 0.00 177.57 177.66 1y3b h ASP 140 N 0.82 1.00 -0.58 4.19 3.32 -0.89 -1.69 116.42 122.59 1y3b h ASP 140 Ca 0.11 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1y3b h ASP 140 Cb 0.80 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1y3b h ASP 140 CO 0.07 0.83 -0.05 0.50 -1.72 0.00 0.00 179.24 178.87 1y3b h LYS 141 N 1.10 1.06 -0.54 3.56 3.64 -0.71 0.43 116.57 125.10 1y3b h LYS 141 Ca 0.27 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1y3b h LYS 141 Cb 0.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1y3b h LYS 141 CO -0.04 1.06 0.27 0.00 -2.27 0.00 0.00 179.45 178.48 1y3b h ALA 142 N 0.97 0.70 -0.35 5.00 0.00 -0.89 -0.50 119.26 124.19 1y3b h ALA 142 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1y3b h ALA 142 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1y3b h ALA 142 CO 0.04 0.25 -0.10 0.28 0.00 0.00 0.00 179.25 179.72 1y3b h VAL 143 N 0.73 1.28 -0.43 0.00 2.07 -1.13 -1.58 116.25 117.18 1y3b h VAL 143 Ca 0.19 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.62 1y3b h VAL 143 Cb 0.09 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1y3b h VAL 143 CO -0.03 0.38 0.30 0.00 0.02 0.00 0.00 177.57 178.24 1y3b h ALA 144 N 0.81 2.07 -0.00 1.67 0.00 -0.70 -0.87 119.26 122.24 1y3b h ALA 144 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1y3b h ALA 144 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1y3b h ALA 144 CO 0.04 -0.16 -0.03 0.43 0.00 0.00 0.00 179.25 179.52 1y3b n SER 145 N -4.47 0.36 0.00 0.00 7.64 -0.21 -4.91 113.62 112.02 1y3b n SER 145 Ca 0.06 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1y3b n SER 145 Cb 0.32 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1y3b n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y3b n GLY 146 N 1.16 0.91 3.77 0.23 0.00 -0.33 -5.07 105.19 105.86 1y3b n GLY 146 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1y3b n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y3b s VAL 147 N -2.00 4.58 -0.20 1.61 1.01 -0.65 -4.13 120.40 120.62 1y3b s VAL 147 Ca 0.00 1.54 -0.28 0.00 0.00 0.00 0.00 61.98 63.24 1y3b s VAL 147 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1y3b s VAL 147 CO 0.00 0.48 0.99 -0.69 0.00 0.00 0.00 175.10 175.88 1y3b s VAL 148 N -0.78 4.74 -0.17 2.92 1.01 -0.45 -4.22 120.40 123.45 1y3b s VAL 148 Ca 0.35 1.95 -0.01 0.00 0.00 0.00 0.00 61.98 64.26 1y3b s VAL 148 Cb -0.21 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1y3b s VAL 148 CO 0.23 -0.11 -0.11 -0.69 0.00 0.00 0.00 175.10 174.41 1y3b s VAL 149 N 2.83 2.99 -0.03 2.92 1.01 -1.26 -0.78 120.40 128.08 1y3b s VAL 149 Ca 0.43 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1y3b s VAL 149 Cb -0.16 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1y3b s VAL 149 CO 0.09 0.49 -0.15 -0.69 0.00 0.00 0.00 175.10 174.84 1y3b s VAL 150 N 0.89 1.23 0.03 2.92 1.01 -0.43 -1.53 120.40 124.52 1y3b s VAL 150 Ca -0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1y3b s VAL 150 Cb -0.15 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1y3b s VAL 150 CO -0.00 0.36 0.01 0.00 0.00 0.00 0.00 175.10 175.46 1y3b s ALA 151 N -0.11 0.14 0.34 5.51 0.00 -0.16 -0.71 121.76 126.77 1y3b s ALA 151 Ca 0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1y3b s ALA 151 Cb -0.09 0.19 -0.11 0.00 0.00 0.00 0.00 23.12 23.12 1y3b s ALA 151 CO 0.01 -0.24 1.53 0.00 0.00 0.00 0.00 175.76 177.06 1y3b s ALA 152 N -2.23 3.65 0.30 0.00 0.00 -0.84 -1.17 121.76 121.47 1y3b s ALA 152 Ca -0.09 1.58 0.20 0.00 0.00 0.00 0.00 51.96 53.65 1y3b s ALA 152 Cb -0.04 -3.63 0.93 0.00 0.00 0.00 0.00 23.12 20.38 1y3b s ALA 152 CO -0.04 -1.03 1.86 0.00 0.00 0.00 0.00 175.76 176.56 1y3b h ALA 153 N 3.78 1.20 0.00 0.00 0.00 -1.13 -3.40 119.26 119.71 1y3b h ALA 153 Ca -0.49 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1y3b h ALA 153 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1y3b h ALA 153 CO 0.71 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.73 1y3b n GLY 154 N -0.25 3.04 2.14 0.00 0.00 -1.26 -1.06 105.19 107.80 1y3b n GLY 154 Ca -0.01 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 1y3b n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y3b n ASN 155 N 0.00 5.25 -0.31 1.61 3.02 -1.26 -0.86 115.26 122.71 1y3b n ASN 155 Ca 0.00 -3.75 0.12 0.00 -0.03 0.00 0.00 54.58 50.92 1y3b n ASN 155 Cb 0.00 -0.44 0.27 0.00 -0.61 0.00 0.00 39.78 39.00 1y3b n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y3b n GLU 156 N -0.70 0.93 0.00 3.52 -0.58 -1.01 -4.76 120.64 118.04 1y3b n GLU 156 Ca 0.46 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1y3b n GLU 156 Cb 0.88 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 1y3b n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y3b n GLY 157 N 1.36 1.31 3.95 0.62 0.00 0.10 -4.79 105.19 107.74 1y3b n GLY 157 Ca 0.11 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1y3b n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y3b s THR 158 N 0.00 5.30 -0.43 2.61 -4.23 -1.26 -3.87 115.64 113.76 1y3b s THR 158 Ca 0.00 -0.79 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 1y3b s THR 158 Cb 0.00 -3.79 0.25 0.00 1.34 0.00 0.00 72.50 70.30 1y3b s THR 158 CO 0.00 -0.19 0.68 -0.24 -0.54 0.00 0.00 174.62 174.33 1y3b n SER 159 N -0.89 -1.09 0.00 3.99 2.88 -1.26 -5.09 113.62 112.16 1y3b n SER 159 Ca -0.08 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.50 1y3b n SER 159 Cb 0.55 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 1y3b n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y3b n GLY 160 N 1.47 3.45 0.94 0.46 0.00 -1.26 -1.64 105.19 108.61 1y3b n GLY 160 Ca 0.16 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.53 1y3b n GLY 160 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y3b n SER 161 N 9.89 2.97 -4.80 1.61 2.88 -1.26 -4.98 113.62 119.94 1y3b n SER 161 Ca 0.00 -1.96 -0.36 0.00 -1.33 0.00 0.00 58.87 55.23 1y3b n SER 161 Cb 0.00 -0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.37 1y3b n SER 161 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1y3b s SER 162 N -1.85 7.16 0.34 -3.46 0.01 -0.65 -5.04 113.70 110.21 1y3b s SER 162 Ca 0.28 1.70 -0.28 0.00 1.31 0.00 0.00 55.95 58.96 1y3b s SER 162 Cb 0.19 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.80 1y3b s SER 162 CO 0.29 -0.13 1.23 -0.55 0.41 0.00 0.00 173.24 174.49 1y3b s SER 163 N -1.80 6.77 -0.06 2.44 0.15 -1.26 -4.41 113.70 115.53 1y3b s SER 163 Ca 0.52 2.51 0.08 0.00 0.70 0.00 0.00 55.95 59.77 1y3b s SER 163 Cb -0.15 -2.63 0.13 0.00 -1.71 0.00 0.00 66.02 61.65 1y3b s SER 163 CO 0.20 -0.51 1.02 0.35 1.20 0.00 0.00 173.24 175.50 1y3b n THR 164 N 0.64 1.19 -2.08 6.45 -2.24 0.15 -4.98 114.28 113.40 1y3b n THR 164 Ca 0.01 -1.36 -0.42 0.00 -2.27 0.00 0.00 64.05 60.02 1y3b n THR 164 Cb 0.44 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1y3b n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y3b s VAL 165 N -1.62 2.95 0.64 2.28 1.01 -1.15 -4.61 120.40 119.90 1y3b s VAL 165 Ca 0.14 0.73 0.02 0.00 0.00 0.00 0.00 61.98 62.87 1y3b s VAL 165 Cb 0.12 -3.47 0.12 0.00 0.00 0.00 0.00 36.38 33.15 1y3b s VAL 165 CO 0.01 0.09 0.87 0.61 0.00 0.00 0.00 175.10 176.68 1y3b n GLY 166 N 2.92 0.98 3.90 4.51 0.00 -0.22 -4.71 105.19 112.56 1y3b n GLY 166 Ca 0.09 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1y3b n GLY 166 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y3b s TYR 167 N -2.69 3.56 -2.16 1.61 2.02 -0.03 0.01 117.35 119.67 1y3b s TYR 167 Ca 0.60 0.45 0.30 0.00 -0.37 0.00 0.00 57.07 58.04 1y3b s TYR 167 Cb -0.04 -1.90 1.45 0.00 -0.40 0.00 0.00 41.96 41.07 1y3b s TYR 167 CO 0.39 0.63 1.97 -0.35 -1.57 0.00 0.00 175.55 176.62 1y3b n PRO 168 N 1.00 1.23 -0.29 -1.71 -0.04 -1.26 -0.83 135.00 133.10 1y3b n PRO 168 Ca -0.11 -0.44 0.17 0.00 -0.04 0.00 0.00 63.50 63.08 1y3b n PRO 168 Cb 0.53 -1.49 0.44 0.00 -0.04 0.00 0.00 33.50 32.93 1y3b n PRO 168 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1y3b h GLY 169 N 4.93 1.22 2.00 0.55 0.00 -1.66 -2.07 103.07 108.05 1y3b h GLY 169 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1y3b h GLY 169 CO 0.00 -0.02 -0.00 1.70 0.00 0.00 0.00 176.54 178.22 1y3b h LYS 170 N 0.55 0.00 -6.73 4.80 3.64 -0.70 -3.37 116.57 114.76 1y3b h LYS 170 Ca 0.51 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.37 1y3b h LYS 170 Cb 1.07 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1y3b h LYS 170 CO -0.25 0.00 0.66 0.71 -2.27 0.00 0.00 179.45 178.30 1y3b s TYR 171 N -3.72 3.20 0.47 1.91 2.02 -0.78 -4.93 117.35 115.53 1y3b s TYR 171 Ca 0.01 1.25 0.23 0.00 -0.37 0.00 0.00 57.07 58.19 1y3b s TYR 171 Cb 0.09 -3.63 1.25 0.00 -0.40 0.00 0.00 41.96 39.27 1y3b s TYR 171 CO 0.53 -1.92 1.88 -1.35 -1.57 0.00 0.00 175.55 173.12 1y3b h PRO 172 N 4.90 0.22 0.00 -1.71 0.11 -1.89 -1.66 132.00 131.97 1y3b h PRO 172 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1y3b h PRO 172 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1y3b h PRO 172 CO 0.75 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 1y3b n SER 173 N -4.42 0.37 -4.68 -2.05 3.41 -1.26 -4.74 113.62 100.25 1y3b n SER 173 Ca 0.18 0.55 -0.35 0.00 -0.26 0.00 0.00 58.87 59.00 1y3b n SER 173 Cb 0.79 -0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 64.00 1y3b n SER 173 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1y3b s VAL 174 N -3.09 4.58 -0.44 -3.33 1.01 -0.62 -4.72 120.40 113.79 1y3b s VAL 174 Ca 0.10 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1y3b s VAL 174 Cb 0.13 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1y3b s VAL 174 CO 0.47 0.56 1.19 -0.63 0.00 0.00 0.00 175.10 176.69 1y3b s ILE 175 N -0.42 4.18 -0.15 2.22 1.01 -0.58 -4.80 121.20 122.66 1y3b s ILE 175 Ca 0.09 1.23 -0.21 0.00 0.00 0.00 0.00 60.65 61.76 1y3b s ILE 175 Cb -0.12 -4.49 -0.03 0.00 0.01 0.00 0.00 42.46 37.83 1y3b s ILE 175 CO 0.02 -0.88 0.60 0.00 0.00 0.00 0.00 174.94 174.68 1y3b s ALA 176 N 4.54 3.48 -0.16 9.38 0.00 -1.26 -0.99 121.76 136.76 1y3b s ALA 176 Ca 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 52.29 1y3b s ALA 176 Cb -0.09 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1y3b s ALA 176 CO 0.30 -0.33 -0.13 0.08 0.00 0.00 0.00 175.76 175.68 1y3b s VAL 177 N 1.37 2.87 0.53 0.00 1.01 -0.31 -1.46 120.40 124.41 1y3b s VAL 177 Ca 0.30 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.64 1y3b s VAL 177 Cb -0.16 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.05 1y3b s VAL 177 CO 0.12 0.51 0.73 -0.83 0.00 0.00 0.00 175.10 175.63 1y3b s GLY 178 N 0.79 1.83 -0.11 4.51 0.00 -0.43 -0.60 107.32 113.31 1y3b s GLY 178 Ca -0.05 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 42.87 1y3b s GLY 178 CO 0.01 -1.46 -0.14 0.00 0.00 0.00 0.00 173.10 171.51 1y3b s ALA 179 N -2.62 2.60 0.37 3.20 0.00 -1.26 -1.34 121.76 122.71 1y3b s ALA 179 Ca 0.59 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.73 1y3b s ALA 179 Cb -0.08 -1.14 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 1y3b s ALA 179 CO 0.37 0.31 0.06 0.14 0.00 0.00 0.00 175.76 176.64 1y3b s VAL 180 N 0.15 2.49 0.03 0.00 -7.23 -0.49 -1.14 120.40 114.21 1y3b s VAL 180 Ca -0.07 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1y3b s VAL 180 Cb -0.15 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1y3b s VAL 180 CO 0.05 -0.13 0.04 -0.90 -0.31 0.00 0.00 175.10 173.85 1y3b n ASP 181 N -1.03 0.09 0.15 4.85 5.68 -0.28 -0.87 116.55 125.14 1y3b n ASP 181 Ca -0.03 -1.07 0.12 0.00 -0.50 0.00 0.00 54.79 53.31 1y3b n ASP 181 Cb 0.63 -0.02 0.53 0.00 -1.14 0.00 0.00 41.12 41.12 1y3b n ASP 181 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1y3b n SER 182 N -2.97 0.66 -1.31 -1.12 3.41 -1.26 -1.09 113.62 109.94 1y3b n SER 182 Ca 0.01 0.70 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 1y3b n SER 182 Cb 0.03 -0.83 0.31 0.00 -0.26 0.00 0.00 64.21 63.46 1y3b n SER 182 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y3b n SER 183 N -2.27 3.82 -0.92 4.04 3.41 -1.26 -4.95 113.62 115.48 1y3b n SER 183 Ca 0.01 -2.11 -0.12 0.00 -0.26 0.00 0.00 58.87 56.39 1y3b n SER 183 Cb 0.17 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 1y3b n SER 183 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y3b n ASN 184 N 1.36 -5.04 -4.75 4.04 3.02 -0.25 -5.01 115.26 108.64 1y3b n ASN 184 Ca 0.23 0.30 -0.39 0.00 -0.03 0.00 0.00 54.58 54.68 1y3b n ASN 184 Cb 0.64 -3.61 -0.05 0.00 -0.61 0.00 0.00 39.78 36.15 1y3b n ASN 184 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1y3b s GLN 185 N -2.91 4.43 0.23 3.52 -1.52 -1.26 -4.79 119.66 117.36 1y3b s GLN 185 Ca 0.00 0.93 -0.32 0.00 -1.95 0.00 0.00 55.36 54.02 1y3b s GLN 185 Cb 0.00 -3.37 -0.14 0.00 -0.22 0.00 0.00 33.01 29.29 1y3b s GLN 185 CO 0.00 0.28 1.40 -2.13 -0.25 0.00 0.00 175.29 174.59 1y3b n ARG 186 N 2.92 1.98 -2.18 2.91 0.63 -1.26 -1.12 116.66 120.53 1y3b n ARG 186 Ca -0.04 0.71 -0.40 0.00 -0.92 0.00 0.00 57.85 57.20 1y3b n ARG 186 Cb 0.51 -2.36 -0.02 0.00 0.45 0.00 0.00 32.46 31.03 1y3b n ARG 186 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1y3b s ALA 187 N -0.00 3.40 0.50 5.13 0.00 -0.29 -4.84 121.76 125.67 1y3b s ALA 187 Ca 0.69 1.16 0.16 0.00 0.00 0.00 0.00 51.96 53.98 1y3b s ALA 187 Cb -0.67 -3.44 1.22 0.00 0.00 0.00 0.00 23.12 20.23 1y3b s ALA 187 CO 0.49 -0.58 2.10 0.66 0.00 0.00 0.00 175.76 178.43 1y3b h SER 188 N 3.24 0.09 1.47 0.00 4.64 -1.92 -0.94 113.55 120.13 1y3b h SER 188 Ca -0.49 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1y3b h SER 188 Cb 1.23 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1y3b h SER 188 CO 0.65 0.06 0.00 2.19 -0.87 0.00 0.00 176.83 178.86 1y3b h PHE 189 N 0.10 0.00 -2.60 4.77 -5.15 -1.91 -3.40 116.94 108.74 1y3b h PHE 189 Ca 0.08 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.32 1y3b h PHE 189 Cb 0.20 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.40 1y3b h PHE 189 CO -0.00 0.00 1.06 0.45 -2.00 0.00 0.00 178.31 177.82 1y3b s SER 190 N -4.98 6.52 0.86 -0.68 0.15 -0.36 -0.72 113.70 114.49 1y3b s SER 190 Ca 0.08 2.60 -0.13 0.00 0.70 0.00 0.00 55.95 59.21 1y3b s SER 190 Cb 0.10 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1y3b s SER 190 CO 0.58 -0.95 0.89 -1.20 1.20 0.00 0.00 173.24 173.77 1y3b n SER 191 N 5.81 -0.22 -4.17 5.45 7.64 -0.04 -3.84 113.62 124.24 1y3b n SER 191 Ca 0.17 0.49 -0.11 0.00 1.01 0.00 0.00 58.87 60.43 1y3b n SER 191 Cb 0.40 -1.38 -0.10 0.00 -1.01 0.00 0.00 64.21 62.11 1y3b n SER 191 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1y3b s VAL 192 N -2.27 0.63 0.00 0.44 -7.23 -1.25 -4.89 120.40 105.83 1y3b s VAL 192 Ca 0.67 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1y3b s VAL 192 Cb -0.27 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1y3b s VAL 192 CO 0.58 -0.81 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1y3b n GLY 193 N -0.06 3.27 0.28 2.32 0.00 -0.55 0.31 105.19 110.76 1y3b n GLY 193 Ca -0.11 -1.72 0.19 0.00 0.00 0.00 0.00 46.02 44.38 1y3b n GLY 193 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y3b h PRO 194 N 0.00 0.00 0.00 1.61 0.13 -1.88 -1.85 132.00 130.01 1y3b h PRO 194 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1y3b h PRO 194 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1y3b h PRO 194 CO 0.00 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 1y3b n GLU 195 N -2.96 0.06 -2.23 0.86 4.71 -1.26 -4.80 120.64 115.02 1y3b n GLU 195 Ca -0.01 0.08 -0.42 0.00 -0.01 0.00 0.00 57.16 56.80 1y3b n GLU 195 Cb 0.19 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.09 1y3b n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1y3b s LEU 196 N -2.93 4.35 -0.16 -4.62 2.96 -0.70 -4.46 118.68 113.13 1y3b s LEU 196 Ca 0.13 2.21 -0.16 0.00 -0.22 0.00 0.00 54.13 56.09 1y3b s LEU 196 Cb 0.16 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.21 1y3b s LEU 196 CO 0.43 -0.64 -0.31 -0.67 -1.32 0.00 0.00 176.35 173.83 1y3b n ASP 197 N 4.41 1.85 -4.18 3.68 2.03 -0.54 -4.32 116.55 119.48 1y3b n ASP 197 Ca 0.12 0.31 -0.11 0.00 0.52 0.00 0.00 54.79 55.62 1y3b n ASP 197 Cb 0.43 -0.70 -0.10 0.00 -0.72 0.00 0.00 41.12 40.03 1y3b n ASP 197 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1y3b s VAL 198 N -2.79 0.10 0.22 5.18 -7.23 -1.14 -0.29 120.40 114.45 1y3b s VAL 198 Ca -0.27 -1.96 0.10 0.00 -1.81 0.00 0.00 61.98 58.05 1y3b s VAL 198 Cb 0.04 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1y3b s VAL 198 CO 0.39 -0.24 -0.10 -0.04 -0.31 0.00 0.00 175.10 174.80 1y3b s MET 199 N -4.09 2.01 0.22 4.82 -1.94 0.06 -1.31 119.30 119.07 1y3b s MET 199 Ca 0.31 -1.40 -0.12 0.00 -1.71 0.00 0.00 55.69 52.77 1y3b s MET 199 Cb 0.07 -2.07 -0.00 0.00 2.01 0.00 0.00 34.83 34.84 1y3b s MET 199 CO 0.07 0.40 0.42 0.00 -0.01 0.00 0.00 175.02 175.90 1y3b s ALA 200 N -1.97 -0.22 0.20 3.03 0.00 -0.45 -2.28 121.76 120.07 1y3b s ALA 200 Ca 0.27 -0.82 -0.32 0.00 0.00 0.00 0.00 51.96 51.08 1y3b s ALA 200 Cb -0.08 1.00 -0.12 0.00 0.00 0.00 0.00 23.12 23.92 1y3b s ALA 200 CO 0.16 -0.78 1.69 -2.30 0.00 0.00 0.00 175.76 174.52 1y3b n PRO 201 N -0.33 2.65 -0.46 0.00 -0.02 -1.26 -1.40 135.00 134.18 1y3b n PRO 201 Ca -0.04 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1y3b n PRO 201 Cb 0.62 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1y3b n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y3b n GLY 202 N 3.79 0.44 3.23 -1.23 0.00 -0.05 -3.33 105.19 108.04 1y3b n GLY 202 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1y3b n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y3b s VAL 203 N 0.00 2.45 -1.19 1.61 1.01 -1.23 -0.89 120.40 122.17 1y3b s VAL 203 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1y3b s VAL 203 Cb 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1y3b s VAL 203 CO 0.00 0.53 0.84 -0.24 0.00 0.00 0.00 175.10 176.22 1y3b n SER 204 N 4.09 -3.38 -4.57 3.32 2.88 -1.15 -4.82 113.62 109.98 1y3b n SER 204 Ca -0.19 -0.78 -0.41 0.00 -1.33 0.00 0.00 58.87 56.16 1y3b n SER 204 Cb 0.52 -4.49 -0.08 0.00 -0.75 0.00 0.00 64.21 59.40 1y3b n SER 204 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1y3b s ILE 205 N -3.50 5.09 0.07 2.46 -1.09 -0.04 -4.81 121.20 119.38 1y3b s ILE 205 Ca 0.19 0.38 -0.28 0.00 -2.23 0.00 0.00 60.65 58.71 1y3b s ILE 205 Cb -0.04 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 1y3b s ILE 205 CO 0.78 -0.08 0.89 -1.10 -1.23 0.00 0.00 174.94 174.20 1y3b s GLN 206 N 2.24 4.60 0.31 2.79 -1.52 -1.26 -1.57 119.66 125.25 1y3b s GLN 206 Ca 0.17 1.29 -0.10 0.00 -1.95 0.00 0.00 55.36 54.77 1y3b s GLN 206 Cb -0.16 -3.39 0.04 0.00 -0.22 0.00 0.00 33.01 29.29 1y3b s GLN 206 CO 0.12 0.20 0.59 0.45 -0.25 0.00 0.00 175.29 176.40 1y3b n SER 207 N 2.97 -1.71 -4.76 5.90 2.88 -0.73 -4.86 113.62 113.32 1y3b n SER 207 Ca 0.01 -2.29 -0.41 0.00 -1.33 0.00 0.00 58.87 54.85 1y3b n SER 207 Cb 0.50 2.88 -0.04 0.00 -0.75 0.00 0.00 64.21 66.80 1y3b n SER 207 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1y3b s THR 208 N -2.36 3.33 0.12 2.46 -4.23 -1.26 -1.24 115.64 112.46 1y3b s THR 208 Ca 0.14 1.29 0.07 0.00 -1.18 0.00 0.00 61.69 62.01 1y3b s THR 208 Cb -0.03 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 1y3b s THR 208 CO 0.10 0.29 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.55 1y3b s LEU 209 N -1.28 2.38 0.77 4.79 1.43 0.04 -2.36 118.68 124.44 1y3b s LEU 209 Ca 0.47 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 1y3b s LEU 209 Cb -0.34 -0.67 0.04 0.00 0.03 0.00 0.00 46.19 45.25 1y3b s LEU 209 CO 0.43 -0.08 1.07 -2.65 0.23 0.00 0.00 176.35 175.35 1y3b n PRO 210 N 0.64 0.37 -2.60 1.29 -0.02 -1.26 -1.90 135.00 131.52 1y3b n PRO 210 Ca -0.16 0.19 -0.08 0.00 -2.02 0.00 0.00 63.50 61.43 1y3b n PRO 210 Cb 0.56 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1y3b n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y3b n GLY 211 N 0.86 0.29 3.61 -1.23 0.00 -1.26 -3.90 105.19 103.56 1y3b n GLY 211 Ca 0.13 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 1y3b n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y3b n ASN 212 N 0.16 -2.05 -4.65 1.61 5.15 -1.23 -5.01 115.26 109.24 1y3b n ASN 212 Ca -0.03 -0.73 -0.30 0.00 -0.60 0.00 0.00 54.58 52.92 1y3b n ASN 212 Cb 0.54 -4.50 -0.09 0.00 -0.53 0.00 0.00 39.78 35.19 1y3b n ASN 212 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1y3b s LYS 213 N -5.81 2.05 0.06 1.20 -0.14 -0.80 -5.01 119.74 111.29 1y3b s LYS 213 Ca 0.08 -2.24 -0.00 0.00 -1.36 0.00 0.00 55.97 52.45 1y3b s LYS 213 Cb -0.04 -1.49 -0.04 0.00 -1.68 0.00 0.00 37.83 34.59 1y3b s LYS 213 CO 0.78 -0.23 -0.04 0.71 -0.76 0.00 0.00 175.35 175.81 1y3b s TYR 214 N -2.85 0.57 -0.13 3.18 2.02 -1.26 -0.78 117.35 118.10 1y3b s TYR 214 Ca 0.21 -0.92 -0.33 0.00 -0.37 0.00 0.00 57.07 55.65 1y3b s TYR 214 Cb 0.06 -0.39 0.13 0.00 -0.40 0.00 0.00 41.96 41.36 1y3b s TYR 214 CO 0.11 -0.28 1.12 0.20 -1.57 0.00 0.00 175.55 175.12 1y3b s GLY 215 N -2.65 -0.34 -0.22 0.71 0.00 -0.37 -4.84 107.32 99.61 1y3b s GLY 215 Ca 0.04 1.41 -0.18 0.00 0.00 0.00 0.00 44.72 45.99 1y3b s GLY 215 CO -0.07 0.47 0.49 0.00 0.00 0.00 0.00 173.10 173.99 1y3b s ALA 216 N -2.62 3.56 0.29 3.20 0.00 -1.26 -1.78 121.76 123.16 1y3b s ALA 216 Ca 0.08 -0.51 0.11 0.00 0.00 0.00 0.00 51.96 51.65 1y3b s ALA 216 Cb -0.01 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 1y3b s ALA 216 CO -0.06 -0.52 -0.16 0.71 0.00 0.00 0.00 175.76 175.73 1y3b s TYR 217 N 1.81 2.36 0.13 0.00 1.51 -0.61 -4.79 117.35 117.76 1y3b s TYR 217 Ca 0.22 -0.35 0.10 0.00 -1.01 0.00 0.00 57.07 56.03 1y3b s TYR 217 Cb -0.15 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1y3b s TYR 217 CO 0.09 0.68 -0.25 -0.80 -1.11 0.00 0.00 175.55 174.16 1y3b s ASN 218 N -3.55 3.14 0.00 2.29 0.01 -1.26 -0.86 114.94 114.70 1y3b s ASN 218 Ca 0.31 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 1y3b s ASN 218 Cb -0.04 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.42 1y3b s ASN 218 CO 0.16 0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.49 1y3b n GLY 219 N 0.83 3.98 0.28 0.66 0.00 -0.07 -4.78 105.19 106.09 1y3b n GLY 219 Ca -0.17 -1.29 0.18 0.00 0.00 0.00 0.00 46.02 44.74 1y3b n GLY 219 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1y3b h THR 220 N 1.00 0.00 -0.78 2.61 1.35 -1.84 -1.35 112.91 113.90 1y3b h THR 220 Ca 0.00 -0.28 0.14 0.00 -0.55 0.00 0.00 66.41 65.72 1y3b h THR 220 Cb 0.00 1.22 -0.05 0.00 -1.73 0.00 0.00 68.15 67.59 1y3b h THR 220 CO 0.00 0.00 0.51 0.28 -0.25 0.00 0.00 175.52 176.06 1y3b h SER 221 N 0.00 0.45 1.34 5.36 0.02 -1.87 -2.23 113.55 116.61 1y3b h SER 221 Ca 0.00 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1y3b h SER 221 Cb 0.30 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1y3b h SER 221 CO 0.00 0.23 -0.66 0.24 -1.14 0.00 0.00 176.83 175.50 1y3b h MET 222 N 0.48 0.00 0.02 3.45 2.07 -1.55 -3.36 114.93 116.04 1y3b h MET 222 Ca 0.38 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.88 1y3b h MET 222 Cb 0.80 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.54 1y3b h MET 222 CO -0.13 0.64 -0.52 0.00 1.07 0.00 0.00 176.91 177.96 1y3b h ALA 223 N 1.35 0.04 -0.48 6.32 0.00 -1.35 -3.36 119.26 121.78 1y3b h ALA 223 Ca -0.01 -0.56 0.10 0.00 0.00 0.00 0.00 54.91 54.44 1y3b h ALA 223 Cb 1.50 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 1y3b h ALA 223 CO 0.08 0.28 -0.19 1.03 0.00 0.00 0.00 179.25 180.45 1y3b h SER 224 N -0.27 -0.66 0.78 0.00 0.87 -1.56 -1.68 113.55 111.04 1y3b h SER 224 Ca -0.07 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1y3b h SER 224 Cb 1.27 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 1y3b h SER 224 CO 0.10 -0.22 0.00 1.55 -0.53 0.00 0.00 176.83 177.73 1y3b h PRO 225 N -0.08 0.00 -0.89 2.24 0.13 -1.72 -0.66 132.00 131.02 1y3b h PRO 225 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1y3b h PRO 225 Cb 0.44 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 1y3b h PRO 225 CO -0.54 0.00 0.57 0.45 -0.23 0.00 0.00 178.00 178.25 1y3b h HIS 226 N 0.00 1.13 0.04 1.56 3.86 -1.45 0.71 115.15 121.01 1y3b h HIS 226 Ca 0.00 0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 58.96 1y3b h HIS 226 Cb 0.39 -0.38 0.02 0.00 1.06 0.00 0.00 27.41 28.50 1y3b h HIS 226 CO 0.00 0.73 -1.09 0.28 0.86 0.00 0.00 177.93 178.71 1y3b h VAL 227 N 1.21 1.31 -0.34 2.45 2.07 -1.20 -0.17 116.25 121.58 1y3b h VAL 227 Ca 0.32 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 1y3b h VAL 227 Cb -0.11 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1y3b h VAL 227 CO -0.07 0.72 0.12 0.00 0.02 0.00 0.00 177.57 178.37 1y3b h ALA 228 N 0.44 0.44 -0.99 1.67 0.00 -1.11 -0.47 119.26 119.23 1y3b h ALA 228 Ca -0.14 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1y3b h ALA 228 Cb 1.75 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 1y3b h ALA 228 CO 0.21 0.06 0.66 0.78 0.00 0.00 0.00 179.25 180.95 1y3b h GLY 229 N 0.39 1.42 1.03 0.00 0.00 -0.86 -1.98 103.07 103.08 1y3b h GLY 229 Ca 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1y3b h GLY 229 CO -0.01 0.48 0.38 0.00 0.00 0.00 0.00 176.54 177.39 1y3b h ALA 230 N 1.38 1.03 -0.69 3.60 0.00 -0.57 -0.71 119.26 123.30 1y3b h ALA 230 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1y3b h ALA 230 Cb -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1y3b h ALA 230 CO -0.10 0.60 0.44 0.00 0.00 0.00 0.00 179.25 180.20 1y3b h ALA 231 N 1.20 0.87 -0.69 0.00 0.00 -0.74 -0.88 119.26 119.02 1y3b h ALA 231 Ca 0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1y3b h ALA 231 Cb 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1y3b h ALA 231 CO -0.03 0.31 0.24 0.00 0.00 0.00 0.00 179.25 179.77 1y3b h ALA 232 N 1.24 1.11 -0.28 0.00 0.00 -0.72 -1.03 119.26 119.58 1y3b h ALA 232 Ca 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y3b h ALA 232 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1y3b h ALA 232 CO -0.05 0.62 0.17 -0.07 0.00 0.00 0.00 179.25 179.91 1y3b h LEU 233 N 1.02 0.35 -0.28 0.00 3.38 -0.60 -1.11 115.31 118.06 1y3b h LEU 233 Ca 0.23 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1y3b h LEU 233 Cb 0.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1y3b h LEU 233 CO -0.01 0.31 0.15 0.40 0.09 0.00 0.00 178.44 179.38 1y3b h ILE 234 N 0.36 1.02 -0.24 1.22 2.04 -1.03 -2.11 117.51 118.75 1y3b h ILE 234 Ca 0.10 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1y3b h ILE 234 Cb 0.03 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1y3b h ILE 234 CO -0.02 0.06 -0.00 -0.07 0.00 0.00 0.00 178.15 178.12 1y3b h LEU 235 N 0.32 0.33 -1.18 1.44 3.38 -1.08 0.17 115.31 118.70 1y3b h LEU 235 Ca 0.11 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1y3b h LEU 235 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1y3b h LEU 235 CO -0.06 0.39 -0.40 0.77 0.09 0.00 0.00 178.44 179.23 1y3b h SER 236 N 0.35 0.00 0.78 -0.43 4.64 -0.68 -1.33 113.55 116.89 1y3b h SER 236 Ca 0.08 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.15 1y3b h SER 236 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1y3b h SER 236 CO 0.01 0.40 -1.27 0.50 -0.87 0.00 0.00 176.83 175.59 1y3b h LYS 237 N 0.00 0.03 -2.29 4.77 3.64 -0.85 -3.41 116.57 118.46 1y3b h LYS 237 Ca -0.00 -0.05 -0.59 0.00 -1.27 0.00 0.00 60.65 58.74 1y3b h LYS 237 Cb 0.74 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.18 1y3b h LYS 237 CO 0.05 0.86 -0.86 0.72 -2.27 0.00 0.00 179.45 177.96 1y3b n HIS 238 N -3.27 1.17 0.30 1.91 8.25 0.55 -4.98 115.22 119.14 1y3b n HIS 238 Ca -0.07 -3.79 0.10 0.00 -0.26 0.00 0.00 57.72 53.71 1y3b n HIS 238 Cb 0.99 -0.32 0.46 0.00 1.12 0.00 0.00 29.99 32.24 1y3b n HIS 238 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1y3b n PRO 239 N 1.63 0.14 -0.69 -0.41 -0.05 -0.52 -1.65 135.00 133.45 1y3b n PRO 239 Ca 0.25 0.48 -0.00 0.00 -0.05 0.00 0.00 63.50 64.18 1y3b n PRO 239 Cb 0.46 -1.83 0.23 0.00 -0.05 0.00 0.00 33.50 32.31 1y3b n PRO 239 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1y3b n ASN 240 N -2.11 3.34 -4.76 3.54 0.23 -1.26 -4.93 115.26 109.31 1y3b n ASN 240 Ca 0.01 -3.40 -0.40 0.00 -0.53 0.00 0.00 54.58 50.26 1y3b n ASN 240 Cb 0.14 -0.62 -0.06 0.00 -2.08 0.00 0.00 39.78 37.16 1y3b n ASN 240 CO 0.00 0.00 0.00 0.26 -0.93 0.00 0.00 177.26 176.59 1y3b s TRP 241 N -3.05 3.96 0.76 -2.53 0.52 -0.66 -5.06 118.94 112.87 1y3b s TRP 241 Ca 0.45 1.81 -0.11 0.00 0.02 0.00 0.00 56.10 58.27 1y3b s TRP 241 Cb 0.39 -2.90 0.05 0.00 -1.15 0.00 0.00 33.47 29.86 1y3b s TRP 241 CO 0.05 0.48 1.13 0.95 0.02 0.00 0.00 176.95 179.58 1y3b s THR 242 N -1.15 2.59 0.30 2.01 -4.23 -1.26 -4.86 115.64 109.05 1y3b s THR 242 Ca 0.39 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.06 1y3b s THR 242 Cb -0.25 -3.18 0.28 0.00 1.34 0.00 0.00 72.50 70.69 1y3b s THR 242 CO 0.30 -0.24 1.91 -0.55 -0.54 0.00 0.00 174.62 175.51 1y3b h ASN 243 N -0.86 0.89 -0.63 3.99 -1.07 -1.91 -0.23 115.58 115.75 1y3b h ASN 243 Ca -0.46 0.01 0.11 0.00 0.07 0.00 0.00 56.30 56.03 1y3b h ASN 243 Cb 1.30 -0.18 -0.08 0.00 -2.07 0.00 0.00 38.32 37.28 1y3b h ASN 243 CO 0.65 0.57 0.20 0.74 0.07 0.00 0.00 177.43 179.66 1y3b h THR 244 N 1.01 0.70 -0.29 6.14 2.02 -1.93 0.14 112.91 120.70 1y3b h THR 244 Ca 0.39 -0.12 -0.19 0.00 0.77 0.00 0.00 66.41 67.26 1y3b h THR 244 Cb 0.21 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1y3b h THR 244 CO -0.14 0.06 -0.55 1.56 0.37 0.00 0.00 175.52 176.82 1y3b h GLN 245 N 0.35 0.89 0.02 6.66 4.20 -1.73 -0.92 115.11 124.58 1y3b h GLN 245 Ca 0.33 -0.57 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1y3b h GLN 245 Cb 0.46 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1y3b h GLN 245 CO -0.36 1.20 -0.01 0.28 -0.67 0.00 0.00 178.83 179.27 1y3b h VAL 246 N 0.68 1.03 0.01 -0.54 2.07 -0.71 0.59 116.25 119.38 1y3b h VAL 246 Ca 0.01 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1y3b h VAL 246 Cb 1.17 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1y3b h VAL 246 CO 0.12 0.04 -0.15 -0.09 0.02 0.00 0.00 177.57 177.51 1y3b h ARG 247 N -0.10 -0.25 -0.94 1.57 2.43 -0.97 -1.74 114.38 114.39 1y3b h ARG 247 Ca -0.00 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1y3b h ARG 247 Cb 0.09 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 1y3b h ARG 247 CO 0.01 -0.16 0.58 0.66 -1.51 0.00 0.00 179.97 179.54 1y3b h SER 248 N -0.26 0.88 -0.60 -3.80 4.64 -1.09 -1.20 113.55 112.12 1y3b h SER 248 Ca 0.05 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1y3b h SER 248 Cb 0.31 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1y3b h SER 248 CO -0.14 0.52 0.20 0.77 -0.87 0.00 0.00 176.83 177.31 1y3b h SER 249 N 0.99 0.89 -0.20 4.97 4.64 -0.31 0.61 113.55 125.14 1y3b h SER 249 Ca 0.44 -0.15 -0.12 0.00 -0.47 0.00 0.00 61.79 61.49 1y3b h SER 249 Cb 0.32 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1y3b h SER 249 CO -0.22 0.83 -0.36 -0.07 -0.87 0.00 0.00 176.83 176.14 1y3b h LEU 250 N 0.93 0.66 -1.05 5.97 3.38 -0.88 -3.10 115.31 121.22 1y3b h LEU 250 Ca 0.21 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 1y3b h LEU 250 Cb 0.26 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1y3b h LEU 250 CO -0.01 1.07 -0.02 -0.33 0.09 0.00 0.00 178.44 179.25 1y3b h GLU 251 N 0.28 0.66 -0.00 1.13 5.08 -0.97 -3.18 114.58 117.57 1y3b h GLU 251 Ca 0.01 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1y3b h GLU 251 Cb 0.95 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1y3b h GLU 251 CO 0.08 0.69 -0.17 0.09 -1.00 0.00 0.00 179.01 178.70 1y3b n ASN 252 N -4.23 0.46 -0.07 1.42 5.03 0.18 -3.85 115.26 114.20 1y3b n ASN 252 Ca 0.02 -0.39 0.02 0.00 0.87 0.00 0.00 54.58 55.10 1y3b n ASN 252 Cb 0.28 -0.06 0.03 0.00 -1.02 0.00 0.00 39.78 39.01 1y3b n ASN 252 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1y3b n THR 253 N -1.09 0.89 -1.12 3.41 -2.24 -1.17 -3.14 114.28 109.81 1y3b n THR 253 Ca 0.12 -0.98 -0.34 0.00 -2.27 0.00 0.00 64.05 60.57 1y3b n THR 253 Cb 0.30 0.43 0.11 0.00 -2.10 0.00 0.00 70.33 69.08 1y3b n THR 253 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1y3b n THR 254 N -0.56 1.78 -2.95 4.28 -2.24 -1.21 -4.23 114.28 109.15 1y3b n THR 254 Ca 0.04 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1y3b n THR 254 Cb 0.44 -1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 67.61 1y3b n THR 254 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1y3b s THR 255 N -2.08 4.74 0.32 4.28 2.01 0.48 -3.09 115.64 122.30 1y3b s THR 255 Ca 0.69 0.94 -0.29 0.00 0.31 0.00 0.00 61.69 63.34 1y3b s THR 255 Cb -0.30 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 67.91 1y3b s THR 255 CO 0.55 -0.40 1.24 -0.54 -0.69 0.00 0.00 174.62 174.78 1y3b s LYS 256 N 3.07 4.43 0.00 4.92 -0.14 -1.26 -1.16 119.74 129.61 1y3b s LYS 256 Ca 0.31 2.09 0.00 0.00 -1.36 0.00 0.00 55.97 57.02 1y3b s LYS 256 Cb -0.13 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 32.92 1y3b s LYS 256 CO 0.16 -0.07 0.00 1.28 -0.76 0.00 0.00 175.35 175.96 1y3b n LEU 257 N 0.90 0.00 0.00 3.17 4.77 -1.26 -4.90 117.00 119.67 1y3b n LEU 257 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1y3b n LEU 257 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1y3b n LEU 257 CO 0.58 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1y3b n GLY 258 N 5.00 -0.57 3.61 -0.72 0.00 -1.26 -5.00 105.19 106.25 1y3b n GLY 258 Ca 0.00 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1y3b n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y3b n ASP 259 N 0.00 1.50 0.29 1.61 2.03 -1.26 -4.67 116.55 116.05 1y3b n ASP 259 Ca 0.00 1.13 0.17 0.00 0.52 0.00 0.00 54.79 56.61 1y3b n ASP 259 Cb 0.00 -1.34 0.81 0.00 -0.72 0.00 0.00 41.12 39.86 1y3b n ASP 259 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1y3b h SER 260 N 1.91 0.00 -0.63 1.67 4.64 -1.92 -0.68 113.55 118.54 1y3b h SER 260 Ca -0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1y3b h SER 260 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 1y3b h SER 260 CO 0.59 0.04 0.35 0.15 -0.87 0.00 0.00 176.83 177.10 1y3b h PHE 261 N 0.00 0.88 0.00 4.77 3.57 -1.87 0.80 116.94 125.10 1y3b h PHE 261 Ca -0.00 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 1y3b h PHE 261 Cb 0.37 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1y3b h PHE 261 CO 0.00 0.62 -2.15 0.66 -2.23 0.00 0.00 178.31 175.21 1y3b n TYR 262 N -4.37 0.00 -0.21 0.41 4.01 -0.40 -1.49 117.16 115.11 1y3b n TYR 262 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1y3b n TYR 262 Cb 0.10 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 1y3b n TYR 262 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1y3b n TYR 263 N -2.45 0.00 -2.62 -0.72 4.01 -0.40 -4.94 117.16 110.04 1y3b n TYR 263 Ca -0.16 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1y3b n TYR 263 Cb 0.81 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 1y3b n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y3b n GLY 264 N -0.01 2.33 0.00 2.72 0.00 0.27 -1.39 105.19 109.11 1y3b n GLY 264 Ca 0.00 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1y3b n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y3b n LYS 265 N 14.00 0.34 0.00 1.61 5.02 0.60 -4.18 118.16 135.55 1y3b n LYS 265 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1y3b n LYS 265 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1y3b n LYS 265 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y3b n GLY 266 N 0.98 -0.57 3.72 0.72 0.00 -0.49 -4.06 105.19 105.51 1y3b n GLY 266 Ca 0.12 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1y3b n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y3b s LEU 267 N 0.00 4.39 0.62 0.99 2.96 -0.31 -0.76 118.68 126.57 1y3b s LEU 267 Ca 0.00 1.51 -0.18 0.00 -0.22 0.00 0.00 54.13 55.24 1y3b s LEU 267 Cb 0.00 -3.37 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 1y3b s LEU 267 CO 0.00 -0.13 1.25 0.27 -1.32 0.00 0.00 176.35 176.41 1y3b s ILE 268 N 0.56 2.37 -0.31 6.68 -4.36 -0.97 -0.38 121.20 124.79 1y3b s ILE 268 Ca 0.44 0.23 -0.02 0.00 -0.26 0.00 0.00 60.65 61.04 1y3b s ILE 268 Cb -0.20 -3.09 0.11 0.00 1.25 0.00 0.00 42.46 40.52 1y3b s ILE 268 CO 0.25 -0.05 0.13 0.21 0.24 0.00 0.00 174.94 175.72 1y3b s ASN 269 N -1.51 3.65 0.31 4.36 3.84 -1.26 -4.58 114.94 119.75 1y3b s ASN 269 Ca 0.80 -1.54 0.15 0.00 0.21 0.00 0.00 52.86 52.47 1y3b s ASN 269 Cb -0.33 -0.55 0.41 0.00 -0.55 0.00 0.00 41.25 40.22 1y3b s ASN 269 CO 0.36 -0.41 1.61 1.62 -2.79 0.00 0.00 177.10 177.49 1y3b h VAL 270 N 6.26 1.11 0.02 -5.21 3.04 -1.35 -1.58 116.25 118.54 1y3b h VAL 270 Ca -0.15 -1.98 0.03 0.00 -1.01 0.00 0.00 66.70 63.59 1y3b h VAL 270 Cb 1.00 2.16 -0.05 0.00 -2.01 0.00 0.00 31.29 32.40 1y3b h VAL 270 CO 0.44 0.51 -0.28 -0.61 -1.01 0.00 0.00 177.57 176.62 1y3b h GLN 271 N 0.00 -0.42 -0.70 4.17 4.15 -1.74 -1.36 115.11 119.21 1y3b h GLN 271 Ca -0.01 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1y3b h GLN 271 Cb 1.12 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 1y3b h GLN 271 CO 0.07 -0.28 0.16 0.00 -1.93 0.00 0.00 178.83 176.84 1y3b h ALA 272 N 0.33 0.92 -0.67 3.38 0.00 -1.87 -2.97 119.26 118.38 1y3b h ALA 272 Ca 0.06 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1y3b h ALA 272 Cb 0.51 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1y3b h ALA 272 CO -0.23 0.66 0.44 0.00 0.00 0.00 0.00 179.25 180.12 1y3b h ALA 273 N 1.08 1.62 -0.25 0.00 0.00 -1.06 -2.68 119.26 117.97 1y3b h ALA 273 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1y3b h ALA 273 Cb 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1y3b h ALA 273 CO 0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1y3b n ALA 274 N -2.44 2.49 -1.94 0.00 0.00 -0.53 -4.81 120.51 113.27 1y3b n ALA 274 Ca 0.08 -0.60 -0.28 0.00 0.00 0.00 0.00 53.44 52.64 1y3b n ALA 274 Cb 0.13 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.60 1y3b n ALA 274 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y3b s GLN 275 N -1.68 2.48 0.08 0.00 -1.52 -1.01 -5.00 119.66 113.00 1y3b s GLN 275 Ca 0.31 0.09 -0.20 0.00 -1.95 0.00 0.00 55.36 53.62 1y3b s GLN 275 Cb 0.17 -2.09 -0.09 0.00 -0.22 0.00 0.00 33.01 30.77 1y3b s GLN 275 CO 0.24 -1.16 1.55 0.45 -0.25 0.00 0.00 175.29 176.12 1y3b h HIS 276 N -0.64 0.37 -3.30 0.91 3.86 -1.88 -3.44 115.15 111.02 1y3b h HIS 276 Ca -0.45 -0.05 -0.63 0.00 -1.16 0.00 0.00 60.37 58.08 1y3b h HIS 276 Cb 1.29 -0.10 -0.20 0.00 1.06 0.00 0.00 27.41 29.46 1y3b h HIS 276 CO 0.40 0.49 -0.64 -1.01 0.86 0.00 0.00 177.93 178.03 1y3b s HIS 277 N -5.18 3.08 -0.09 2.45 3.76 -1.26 -5.10 115.29 112.94 1y3b s HIS 277 Ca -0.14 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 1y3b s HIS 277 Cb 0.07 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 1y3b s HIS 277 CO 0.72 0.00 -0.08 -1.01 -0.85 0.00 0.00 174.74 173.53 1y3b s HIS 278 N 0.37 2.90 0.21 1.40 0.09 -1.26 -4.99 115.29 114.01 1y3b s HIS 278 Ca -0.02 -0.18 -0.17 0.00 -0.00 0.00 0.00 55.06 54.69 1y3b s HIS 278 Cb -0.14 -1.77 0.02 0.00 -0.00 0.00 0.00 32.58 30.69 1y3b s HIS 278 CO 0.02 0.15 0.52 -3.38 -0.00 0.00 0.00 174.74 172.05 1y3b s HIS 279 N -0.36 -0.04 0.37 1.40 -3.43 -1.24 -4.96 115.29 107.03 1y3b s HIS 279 Ca 0.05 -0.32 -0.24 0.00 -0.80 0.00 0.00 55.06 53.74 1y3b s HIS 279 Cb -0.12 0.37 -0.10 0.00 -1.43 0.00 0.00 32.58 31.30 1y3b s HIS 279 CO 0.02 -0.94 0.98 -1.01 -2.00 0.00 0.00 174.74 171.80 1y3b s HIS 280 N -3.90 3.48 -1.55 0.38 0.09 -1.19 -4.34 115.29 108.26 1y3b s HIS 280 Ca 0.11 1.70 0.12 0.00 -0.00 0.00 0.00 55.06 57.00 1y3b s HIS 280 Cb -0.01 -2.99 0.10 0.00 -0.00 0.00 0.00 32.58 29.68 1y3b s HIS 280 CO -0.00 -0.15 0.89 0.72 -0.00 0.00 0.00 174.74 176.20