#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1k s GLN 2 N 0.00 4.12 0.05 0.00 0.74 -1.13 -4.03 119.66 119.42 1y1k s GLN 2 Ca 0.00 0.86 0.09 0.00 0.05 0.00 0.00 55.36 56.36 1y1k s GLN 2 Cb 0.00 -2.41 -0.03 0.00 1.10 0.00 0.00 33.01 31.67 1y1k s GLN 2 CO 0.00 0.12 -0.25 -1.12 -0.55 0.00 0.00 175.29 173.49 1y1k s SER 3 N -2.16 3.29 -0.40 6.67 0.01 -0.16 -4.97 113.70 115.98 1y1k s SER 3 Ca 0.55 -0.58 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 1y1k s SER 3 Cb -0.11 -0.34 0.03 0.00 0.21 0.00 0.00 66.02 65.82 1y1k s SER 3 CO 0.17 0.25 0.27 -0.69 0.41 0.00 0.00 173.24 173.65 1y1k s VAL 4 N -0.85 4.95 0.60 3.43 1.01 -1.26 -1.94 120.40 126.34 1y1k s VAL 4 Ca 0.12 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 1y1k s VAL 4 Cb -0.10 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1y1k s VAL 4 CO 0.03 -0.32 1.02 -2.65 0.00 0.00 0.00 175.10 173.17 1y1k n PRO 5 N 5.09 0.97 -0.02 2.72 -0.02 -1.26 -4.84 135.00 137.64 1y1k n PRO 5 Ca -0.11 0.37 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1y1k n PRO 5 Cb 0.46 -2.22 0.52 0.00 -0.02 0.00 0.00 33.50 32.24 1y1k n PRO 5 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1y1k h TYR 6 N 0.57 0.36 -0.07 6.00 -0.00 -1.95 -1.87 116.97 120.02 1y1k h TYR 6 Ca -0.49 0.01 -0.11 0.00 0.00 0.00 0.00 58.73 58.14 1y1k h TYR 6 Cb 1.36 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 37.96 1y1k h TYR 6 CO 0.38 0.19 -0.46 0.78 -0.00 0.00 0.00 178.16 179.04 1y1k h GLY 7 N 0.35 0.17 0.99 0.10 0.00 -1.95 0.13 103.07 102.87 1y1k h GLY 7 Ca 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1y1k h GLY 7 CO -0.05 0.16 0.12 -2.08 0.00 0.00 0.00 176.54 174.68 1y1k h VAL 8 N 0.13 1.25 -0.36 4.60 2.07 -1.69 -2.41 116.25 119.83 1y1k h VAL 8 Ca 0.01 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.51 1y1k h VAL 8 Cb 0.87 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1y1k h VAL 8 CO 0.07 0.32 -0.29 0.28 0.02 0.00 0.00 177.57 177.97 1y1k h SER 9 N 0.75 0.81 -0.35 0.57 0.02 -1.43 -2.62 113.55 111.29 1y1k h SER 9 Ca 0.17 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 1y1k h SER 9 Cb 0.36 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1y1k h SER 9 CO 0.00 1.05 0.05 -0.61 -1.14 0.00 0.00 176.83 176.19 1y1k h GLN 10 N 0.66 0.68 -0.03 3.45 4.15 -0.40 -1.08 115.11 122.54 1y1k h GLN 10 Ca 0.08 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1y1k h GLN 10 Cb 0.83 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1y1k h GLN 10 CO 0.07 0.66 0.00 0.44 -1.93 0.00 0.00 178.83 178.07 1y1k n ILE 11 N -4.27 0.03 -2.04 2.39 -5.35 -0.94 -4.93 119.36 104.25 1y1k n ILE 11 Ca 0.03 -0.15 -0.08 0.00 -0.27 0.00 0.00 62.75 62.28 1y1k n ILE 11 Cb 0.24 0.05 -0.01 0.00 -1.74 0.00 0.00 39.64 38.18 1y1k n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1y1k n LYS 12 N -0.32 -0.60 -0.14 6.28 5.02 -0.41 -1.24 118.16 126.75 1y1k n LYS 12 Ca 0.20 0.42 0.01 0.00 -2.02 0.00 0.00 58.31 56.92 1y1k n LYS 12 Cb 0.23 -4.33 0.30 0.00 -0.02 0.00 0.00 35.03 31.21 1y1k n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y1k h ALA 13 N 0.32 1.52 0.00 7.82 0.00 -1.68 -2.53 119.26 124.71 1y1k h ALA 13 Ca -0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1y1k h ALA 13 Cb 1.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1y1k h ALA 13 CO 0.22 0.43 -0.01 -1.35 0.00 0.00 0.00 179.25 178.54 1y1k h PRO 14 N 0.86 0.00 -0.61 0.00 0.11 -1.88 -0.97 132.00 129.51 1y1k h PRO 14 Ca 0.23 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 1y1k h PRO 14 Cb -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1y1k h PRO 14 CO -0.05 0.01 0.08 0.00 -0.21 0.00 0.00 178.00 177.82 1y1k h ALA 15 N 1.99 0.99 -0.35 -0.75 0.00 -1.85 -0.42 119.26 118.88 1y1k h ALA 15 Ca -0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1y1k h ALA 15 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1y1k h ALA 15 CO 0.00 0.63 -0.02 -0.07 0.00 0.00 0.00 179.25 179.79 1y1k h LEU 16 N 0.93 0.62 -0.85 0.00 -0.00 -1.30 -2.66 115.31 112.06 1y1k h LEU 16 Ca 0.18 -0.32 0.08 0.00 -0.00 0.00 0.00 57.88 57.82 1y1k h LEU 16 Cb 0.44 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 40.86 1y1k h LEU 16 CO 0.01 0.80 0.51 0.45 -0.00 0.00 0.00 178.44 180.21 1y1k h HIS 17 N 0.43 0.94 0.00 1.13 3.86 -1.05 -1.13 115.15 119.33 1y1k h HIS 17 Ca 0.10 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.27 1y1k h HIS 17 Cb 0.49 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1y1k h HIS 17 CO 0.04 0.44 -0.30 0.66 0.86 0.00 0.00 177.93 179.63 1y1k h SER 18 N 0.90 0.00 0.86 2.45 4.64 -1.01 -0.81 113.55 120.58 1y1k h SER 18 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1y1k h SER 18 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1y1k h SER 18 CO -0.20 0.30 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 1y1k n GLN 19 N -3.88 0.11 0.00 4.77 6.02 -0.68 -4.90 117.38 118.82 1y1k n GLN 19 Ca -0.02 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1y1k n GLN 19 Cb 0.38 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1y1k n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y1k n GLY 20 N 0.56 1.08 3.34 1.08 0.00 -0.31 -5.09 105.19 105.85 1y1k n GLY 20 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1y1k n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y1k s TYR 21 N -2.00 2.87 -0.00 1.61 2.02 -0.52 -4.97 117.35 116.37 1y1k s TYR 21 Ca 0.00 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 1y1k s TYR 21 Cb 0.00 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 1y1k s TYR 21 CO 0.00 -0.35 0.67 0.25 -1.57 0.00 0.00 175.55 174.56 1y1k n THR 22 N 4.01 0.04 -0.59 -0.71 -2.24 -1.26 -2.98 114.28 110.54 1y1k n THR 22 Ca -0.18 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1y1k n THR 22 Cb 0.52 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1y1k n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y1k n GLY 23 N -0.02 0.67 3.70 3.38 0.00 -1.26 -1.00 105.19 110.65 1y1k n GLY 23 Ca 0.00 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 1y1k n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y1k n SER 24 N 0.62 3.13 0.00 1.61 2.88 -1.26 -1.86 113.62 118.74 1y1k n SER 24 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1y1k n SER 24 Cb 0.00 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 61.97 1y1k n SER 24 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1y1k n ASN 25 N 2.11 -4.31 -4.75 -3.46 3.02 -1.26 -4.74 115.26 101.87 1y1k n ASN 25 Ca 0.10 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 1y1k n ASN 25 Cb 0.33 -2.02 -0.07 0.00 -0.61 0.00 0.00 39.78 37.41 1y1k n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1y1k s VAL 26 N -1.53 5.36 -0.30 2.41 1.01 -0.78 -4.91 120.40 121.65 1y1k s VAL 26 Ca 0.00 0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 1y1k s VAL 26 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1y1k s VAL 26 CO 0.00 0.44 0.39 -0.54 0.00 0.00 0.00 175.10 175.38 1y1k s LYS 27 N 0.24 3.83 -0.19 2.72 1.02 -1.26 -0.76 119.74 125.34 1y1k s LYS 27 Ca 0.13 -0.13 -0.00 0.00 0.02 0.00 0.00 55.97 55.99 1y1k s LYS 27 Cb -0.12 -3.72 0.01 0.00 -0.52 0.00 0.00 37.83 33.48 1y1k s LYS 27 CO 0.02 -0.40 -0.15 0.08 -0.92 0.00 0.00 175.35 173.98 1y1k s VAL 28 N 2.10 2.50 -0.21 3.17 1.01 0.24 -0.66 120.40 128.55 1y1k s VAL 28 Ca 0.14 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 1y1k s VAL 28 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1y1k s VAL 28 CO 0.11 0.50 0.52 0.00 0.00 0.00 0.00 175.10 176.24 1y1k s ALA 29 N 1.30 3.55 -0.51 5.51 0.00 -0.16 -0.72 121.76 130.74 1y1k s ALA 29 Ca 0.04 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.41 1y1k s ALA 29 Cb -0.14 -2.83 0.07 0.00 0.00 0.00 0.00 23.12 20.23 1y1k s ALA 29 CO -0.09 -0.48 0.55 0.08 0.00 0.00 0.00 175.76 175.82 1y1k s VAL 30 N 1.71 5.02 -0.54 0.00 1.01 -0.23 -0.88 120.40 126.49 1y1k s VAL 30 Ca 0.24 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 1y1k s VAL 30 Cb -0.15 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.03 1y1k s VAL 30 CO 0.10 -0.77 0.72 -0.63 0.00 0.00 0.00 175.10 174.51 1y1k s ILE 31 N 2.22 4.74 0.00 2.22 1.01 -0.78 -1.73 121.20 128.88 1y1k s ILE 31 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1y1k s ILE 31 Cb -0.22 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1y1k s ILE 31 CO 0.09 -0.98 0.00 -0.67 0.00 0.00 0.00 174.94 173.38 1y1k n ASP 32 N 6.55 0.23 -1.00 3.58 -0.08 -0.50 -4.25 116.55 121.09 1y1k n ASP 32 Ca -0.06 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.28 1y1k n ASP 32 Cb 0.45 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.12 1y1k n ASP 32 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1y1k n SER 33 N 0.00 2.87 0.00 1.67 3.41 -1.26 -0.27 113.62 120.04 1y1k n SER 33 Ca 0.00 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1y1k n SER 33 Cb 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1y1k n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y1k n GLY 34 N 0.88 1.11 2.80 5.00 0.00 -1.26 -4.30 105.19 109.42 1y1k n GLY 34 Ca 0.15 -2.14 -0.16 0.00 0.00 0.00 0.00 46.02 43.87 1y1k n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1k s ILE 35 N -1.44 0.10 -0.59 -0.61 1.01 -0.77 -3.42 121.20 115.49 1y1k s ILE 35 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.51 1y1k s ILE 35 Cb 0.00 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1y1k s ILE 35 CO 0.00 0.13 1.77 -0.62 0.00 0.00 0.00 174.94 176.22 1y1k s ASP 36 N 1.06 5.48 0.31 3.58 2.15 -1.26 -4.02 116.67 123.97 1y1k s ASP 36 Ca -0.09 0.38 0.26 0.00 0.43 0.00 0.00 52.55 53.52 1y1k s ASP 36 Cb -0.13 -2.53 1.03 0.00 -0.30 0.00 0.00 42.92 40.98 1y1k s ASP 36 CO -0.02 -2.21 1.77 0.77 -0.17 0.00 0.00 175.17 175.31 1y1k h SER 37 N 14.02 0.00 0.71 -0.34 4.64 -1.89 -2.51 113.55 128.17 1y1k h SER 37 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1y1k h SER 37 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1y1k h SER 37 CO 1.20 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.96 1y1k n SER 38 N -2.41 0.00 -4.70 4.97 7.64 -1.26 -4.75 113.62 113.11 1y1k n SER 38 Ca 0.02 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 1y1k n SER 38 Cb 0.27 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 1y1k n SER 38 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1y1k s HIS 39 N -2.72 3.02 -0.72 1.43 2.46 -0.95 -4.89 115.29 112.93 1y1k s HIS 39 Ca 0.23 0.84 0.18 0.00 0.47 0.00 0.00 55.06 56.78 1y1k s HIS 39 Cb 0.19 -3.70 0.77 0.00 -0.13 0.00 0.00 32.58 29.72 1y1k s HIS 39 CO 0.48 -2.54 1.56 -0.35 -2.47 0.00 0.00 174.74 171.41 1y1k n PRO 40 N 4.63 0.10 -0.68 2.88 -0.04 -1.26 -2.07 135.00 138.56 1y1k n PRO 40 Ca 0.12 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1y1k n PRO 40 Cb 0.43 -1.70 0.36 0.00 -0.04 0.00 0.00 33.50 32.55 1y1k n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1y1k n ASP 41 N -1.88 4.98 -4.08 3.54 2.03 -1.26 -4.92 116.55 114.96 1y1k n ASP 41 Ca 0.02 -2.61 -0.15 0.00 0.52 0.00 0.00 54.79 52.57 1y1k n ASP 41 Cb 0.18 -0.60 -0.12 0.00 -0.72 0.00 0.00 41.12 39.86 1y1k n ASP 41 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1y1k s LEU 42 N -2.16 2.24 -0.24 -2.67 1.43 -0.88 -0.87 118.68 115.54 1y1k s LEU 42 Ca 0.51 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1y1k s LEU 42 Cb 0.35 -0.27 0.06 0.00 0.03 0.00 0.00 46.19 46.36 1y1k s LEU 42 CO 0.21 -0.14 -0.06 -0.75 0.23 0.00 0.00 176.35 175.84 1y1k s LYS 43 N -1.47 1.73 -0.18 1.70 2.20 -1.26 -4.75 119.74 117.70 1y1k s LYS 43 Ca -0.07 -1.04 -0.18 0.00 -0.36 0.00 0.00 55.97 54.32 1y1k s LYS 43 Cb -0.09 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.56 1y1k s LYS 43 CO 0.01 -0.59 0.48 0.08 -0.36 0.00 0.00 175.35 174.96 1y1k s VAL 44 N 1.35 5.15 -0.23 4.02 1.01 -1.26 -4.23 120.40 126.20 1y1k s VAL 44 Ca -0.06 0.89 0.21 0.00 0.00 0.00 0.00 61.98 63.01 1y1k s VAL 44 Cb -0.19 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1y1k s VAL 44 CO -0.06 0.23 1.07 0.00 0.00 0.00 0.00 175.10 176.34 1y1k h ALA 45 N 7.27 0.59 0.00 5.51 0.00 -0.59 -3.48 119.26 128.55 1y1k h ALA 45 Ca -0.36 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1y1k h ALA 45 Cb 1.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1y1k h ALA 45 CO 0.74 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.61 1y1k n GLY 46 N 1.22 -1.43 0.00 0.00 0.00 -1.22 -5.02 105.19 98.73 1y1k n GLY 46 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1y1k n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y1k n GLY 47 N -0.08 -0.86 3.53 -0.02 0.00 -1.26 -1.09 105.19 105.41 1y1k n GLY 47 Ca 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 1y1k n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1k s ALA 48 N -1.20 -1.81 -0.13 4.61 0.00 -0.42 -4.95 121.76 117.86 1y1k s ALA 48 Ca 0.00 1.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 1y1k s ALA 48 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1y1k s ALA 48 CO 0.00 -0.40 -0.00 0.45 0.00 0.00 0.00 175.76 175.81 1y1k s SER 49 N -1.34 5.14 0.00 0.00 0.15 -1.26 -1.19 113.70 115.20 1y1k s SER 49 Ca -0.07 0.03 0.19 0.00 0.70 0.00 0.00 55.95 56.80 1y1k s SER 49 Cb -0.00 -1.68 0.39 0.00 -1.71 0.00 0.00 66.02 63.01 1y1k s SER 49 CO 0.05 0.26 1.32 0.23 1.20 0.00 0.00 173.24 176.30 1y1k n MET 50 N 2.94 2.36 -3.22 5.44 2.81 0.83 -4.91 117.12 123.37 1y1k n MET 50 Ca -0.18 -2.15 -0.43 0.00 -1.81 0.00 0.00 57.70 53.13 1y1k n MET 50 Cb 0.53 -1.43 -0.08 0.00 -0.71 0.00 0.00 33.22 31.53 1y1k n MET 50 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1y1k s VAL 51 N -1.24 4.97 0.30 2.03 1.01 -1.23 -4.77 120.40 121.46 1y1k s VAL 51 Ca 0.34 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1y1k s VAL 51 Cb 0.19 -4.10 0.29 0.00 0.00 0.00 0.00 36.38 32.77 1y1k s VAL 51 CO 0.26 -0.47 1.83 -0.65 0.00 0.00 0.00 175.10 176.08 1y1k h PRO 52 N 8.75 0.89 -0.04 2.72 0.11 -1.96 -1.85 132.00 140.62 1y1k h PRO 52 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1y1k h PRO 52 Cb 1.11 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1y1k h PRO 52 CO 0.83 0.59 0.00 -1.13 -0.21 0.00 0.00 178.00 178.08 1y1k n SER 53 N -4.63 2.01 -3.65 -2.05 3.41 -1.26 -4.58 113.62 102.86 1y1k n SER 53 Ca 0.19 -1.67 -0.29 0.00 -0.26 0.00 0.00 58.87 56.84 1y1k n SER 53 Cb 0.40 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.21 1y1k n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1y1k s GLU 54 N -1.97 1.18 0.00 4.33 2.02 -0.69 -5.00 118.70 118.57 1y1k s GLU 54 Ca 0.35 -1.95 0.29 0.00 0.02 0.00 0.00 54.97 53.67 1y1k s GLU 54 Cb 0.21 -2.14 1.22 0.00 0.10 0.00 0.00 34.13 33.52 1y1k s GLU 54 CO 0.32 -1.19 1.85 0.25 0.02 0.00 0.00 175.26 176.51 1y1k n THR 55 N 3.51 0.00 -3.59 3.63 -2.24 -1.26 -4.41 114.28 109.93 1y1k n THR 55 Ca 0.11 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1y1k n THR 55 Cb 0.36 -0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 1y1k n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1y1k s ASN 56 N -2.38 5.75 0.00 3.42 3.84 -1.26 -4.49 114.94 119.82 1y1k s ASN 56 Ca 0.31 -1.02 0.19 0.00 0.21 0.00 0.00 52.86 52.56 1y1k s ASN 56 Cb 0.20 -2.03 0.84 0.00 -0.55 0.00 0.00 41.25 39.71 1y1k s ASN 56 CO 0.45 -0.40 1.61 -0.81 -2.79 0.00 0.00 177.10 175.17 1y1k n PRO 57 N 5.00 0.04 -0.27 0.43 -0.04 -1.26 -2.99 135.00 135.92 1y1k n PRO 57 Ca -0.12 0.16 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1y1k n PRO 57 Cb 0.46 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.69 1y1k n PRO 57 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1y1k n PHE 58 N -1.47 0.70 -4.18 0.54 3.72 -1.26 -1.84 117.46 113.67 1y1k n PHE 58 Ca 0.05 -0.35 -0.33 0.00 -0.05 0.00 0.00 57.45 56.77 1y1k n PHE 58 Cb 0.21 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.60 1y1k n PHE 58 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1y1k s GLN 59 N -1.30 3.07 -0.41 -1.08 0.74 -1.16 -2.81 119.66 116.70 1y1k s GLN 59 Ca 0.39 -0.80 -0.05 0.00 0.05 0.00 0.00 55.36 54.96 1y1k s GLN 59 Cb 0.21 -2.63 0.10 0.00 1.10 0.00 0.00 33.01 31.80 1y1k s GLN 59 CO 0.28 -0.17 0.23 0.34 -0.55 0.00 0.00 175.29 175.42 1y1k s ASP 60 N 1.23 5.39 0.00 6.67 2.15 -1.26 -4.61 116.67 126.23 1y1k s ASP 60 Ca 0.03 -1.85 0.29 0.00 0.43 0.00 0.00 52.55 51.45 1y1k s ASP 60 Cb -0.14 -1.89 1.34 0.00 -0.30 0.00 0.00 42.92 41.93 1y1k s ASP 60 CO -0.09 -0.55 1.91 0.59 -0.17 0.00 0.00 175.17 176.85 1y1k n ASN 61 N 4.72 0.80 -0.12 -0.34 3.02 -1.26 -4.06 115.26 118.02 1y1k n ASN 61 Ca -0.06 -1.13 -0.24 0.00 -0.03 0.00 0.00 54.58 53.13 1y1k n ASN 61 Cb 0.42 -0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 1y1k n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1y1k n ASN 62 N -0.46 1.79 0.00 6.41 2.85 -1.26 -4.75 115.26 119.85 1y1k n ASN 62 Ca 0.19 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1y1k n ASN 62 Cb 0.26 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.65 1y1k n ASN 62 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1y1k n SER 63 N -3.90 0.00 0.03 1.20 7.64 -1.26 -5.00 113.62 112.34 1y1k n SER 63 Ca -0.46 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.30 1y1k n SER 63 Cb 0.85 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.97 1y1k n SER 63 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1y1k h HIS 64 N 0.00 -0.06 -0.20 1.43 6.17 -1.93 -2.35 115.15 118.22 1y1k h HIS 64 Ca 0.00 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.05 1y1k h HIS 64 Cb 0.00 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 29.94 1y1k h HIS 64 CO 0.00 0.21 -0.01 0.78 0.71 0.00 0.00 177.93 179.61 1y1k h GLY 65 N -0.31 0.31 1.27 5.26 0.00 -1.88 -1.11 103.07 106.61 1y1k h GLY 65 Ca -0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 1y1k h GLY 65 CO 0.01 0.15 -0.34 -0.84 0.00 0.00 0.00 176.54 175.52 1y1k h THR 66 N 0.28 1.28 0.09 4.70 2.02 -1.52 0.25 112.91 120.02 1y1k h THR 66 Ca 0.07 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 1y1k h THR 66 Cb 0.22 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1y1k h THR 66 CO 0.01 0.50 -0.04 -0.74 0.37 0.00 0.00 175.52 175.61 1y1k h HIS 67 N 0.68 -0.11 -0.58 3.16 6.17 -0.85 -1.69 115.15 121.92 1y1k h HIS 67 Ca 0.07 -0.00 0.07 0.00 0.71 0.00 0.00 60.37 61.22 1y1k h HIS 67 Cb 0.90 0.04 -0.06 0.00 2.52 0.00 0.00 27.41 30.81 1y1k h HIS 67 CO 0.05 0.22 0.25 0.28 0.71 0.00 0.00 177.93 179.44 1y1k h VAL 68 N -0.45 0.85 -0.97 5.26 2.07 -1.20 -2.09 116.25 119.71 1y1k h VAL 68 Ca -0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1y1k h VAL 68 Cb 0.38 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1y1k h VAL 68 CO 0.02 0.09 0.62 0.00 0.02 0.00 0.00 177.57 178.31 1y1k h ALA 69 N 1.36 1.24 -0.06 1.67 0.00 -0.82 -2.16 119.26 120.49 1y1k h ALA 69 Ca 0.28 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1y1k h ALA 69 Cb 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1y1k h ALA 69 CO -0.24 0.66 -0.21 0.78 0.00 0.00 0.00 179.25 180.24 1y1k h GLY 70 N 1.33 0.10 1.07 0.00 0.00 -0.64 0.17 103.07 105.11 1y1k h GLY 70 Ca 0.35 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.48 1y1k h GLY 70 CO -0.07 0.06 -0.27 -0.84 0.00 0.00 0.00 176.54 175.42 1y1k h THR 71 N 0.09 1.28 -0.03 4.70 2.02 -0.95 -0.95 112.91 119.06 1y1k h THR 71 Ca 0.02 -1.43 0.01 0.00 0.77 0.00 0.00 66.41 65.77 1y1k h THR 71 Cb 0.43 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1y1k h THR 71 CO 0.03 0.48 -0.01 0.58 0.37 0.00 0.00 175.52 176.97 1y1k h VAL 72 N 0.71 0.96 0.00 3.16 2.07 -0.95 -1.48 116.25 120.72 1y1k h VAL 72 Ca 0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 1y1k h VAL 72 Cb 0.85 0.96 -0.12 0.00 -1.52 0.00 0.00 31.29 31.47 1y1k h VAL 72 CO 0.07 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.23 1y1k n ALA 73 N -2.14 2.48 -1.67 1.67 0.00 0.01 -0.18 120.51 120.67 1y1k n ALA 73 Ca -0.06 -0.95 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 1y1k n ALA 73 Cb 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 19.45 19.13 1y1k n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y1k n ALA 74 N 0.11 0.86 -1.74 0.00 0.00 -0.37 -4.59 120.51 114.79 1y1k n ALA 74 Ca -0.05 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.33 1y1k n ALA 74 Cb 0.74 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1y1k n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y1k s LEU 75 N -1.03 3.71 -0.55 0.00 1.43 -0.05 -0.83 118.68 121.35 1y1k s LEU 75 Ca 0.60 2.13 -0.22 0.00 -1.03 0.00 0.00 54.13 55.60 1y1k s LEU 75 Cb -0.55 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.14 1y1k s LEU 75 CO 0.59 -1.23 0.85 0.21 0.23 0.00 0.00 176.35 176.99 1y1k s ASN 76 N -1.91 6.28 0.00 2.29 2.47 -1.26 -4.55 114.94 118.26 1y1k s ASN 76 Ca 0.71 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 53.37 1y1k s ASN 76 Cb -0.23 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 1y1k s ASN 76 CO 0.28 -1.16 0.00 -0.46 -3.72 0.00 0.00 177.10 172.05 1y1k n ASN 77 N 7.09 0.00 -1.68 -4.21 0.23 -1.26 -5.04 115.26 110.39 1y1k n ASN 77 Ca -0.02 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.09 1y1k n ASN 77 Cb 0.46 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.53 1y1k n ASN 77 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1y1k n SER 78 N 0.00 5.21 -4.23 0.53 3.41 -1.26 -4.46 113.62 112.82 1y1k n SER 78 Ca 0.00 -3.00 -0.16 0.00 -0.26 0.00 0.00 58.87 55.44 1y1k n SER 78 Cb 0.00 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.18 1y1k n SER 78 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1y1k s ILE 79 N -2.82 1.21 0.00 -1.33 -4.36 -1.26 -1.99 121.20 110.64 1y1k s ILE 79 Ca 0.52 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 1y1k s ILE 79 Cb 0.40 -1.52 0.00 0.00 1.25 0.00 0.00 42.46 42.59 1y1k s ILE 79 CO 0.14 -0.50 0.00 0.61 0.24 0.00 0.00 174.94 175.43 1y1k n GLY 80 N 0.44 2.97 3.92 6.27 0.00 -1.26 -4.54 105.19 113.00 1y1k n GLY 80 Ca -0.15 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 1y1k n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y1k s VAL 81 N 0.00 3.76 -0.13 1.61 -7.23 -1.26 -0.98 120.40 116.17 1y1k s VAL 81 Ca 0.00 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 58.94 1y1k s VAL 81 Cb 0.00 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1y1k s VAL 81 CO 0.00 -0.16 0.04 -0.22 -0.31 0.00 0.00 175.10 174.46 1y1k s LEU 82 N -4.09 3.78 0.71 1.32 2.96 -0.82 -4.43 118.68 118.12 1y1k s LEU 82 Ca 0.43 0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 54.42 1y1k s LEU 82 Cb -0.08 -1.91 0.05 0.00 0.50 0.00 0.00 46.19 44.76 1y1k s LEU 82 CO 0.29 0.31 1.06 -0.83 -1.32 0.00 0.00 176.35 175.85 1y1k s GLY 83 N -0.43 1.64 0.13 7.98 0.00 -0.01 -4.57 107.32 112.05 1y1k s GLY 83 Ca 0.09 -0.71 -0.15 0.00 0.00 0.00 0.00 44.72 43.95 1y1k s GLY 83 CO 0.02 -0.31 1.62 -2.08 0.00 0.00 0.00 173.10 172.34 1y1k h VAL 84 N -0.67 1.24 -2.44 1.40 2.07 -1.19 -3.36 116.25 113.31 1y1k h VAL 84 Ca -0.45 -0.86 -0.60 0.00 0.82 0.00 0.00 66.70 65.62 1y1k h VAL 84 Cb 1.30 0.99 -0.41 0.00 -1.52 0.00 0.00 31.29 31.65 1y1k h VAL 84 CO 0.63 0.30 -0.75 0.00 0.02 0.00 0.00 177.57 177.76 1y1k n ALA 85 N -2.37 3.37 0.39 1.67 0.00 0.74 -4.90 120.51 119.41 1y1k n ALA 85 Ca -0.00 -4.17 0.11 0.00 0.00 0.00 0.00 53.44 49.37 1y1k n ALA 85 Cb 0.23 -0.90 0.46 0.00 0.00 0.00 0.00 19.45 19.24 1y1k n ALA 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1y1k n PRO 86 N 1.60 0.15 -0.20 0.00 -0.04 -1.01 -1.45 135.00 134.04 1y1k n PRO 86 Ca 0.25 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 64.23 1y1k n PRO 86 Cb 0.43 -1.81 0.22 0.00 -0.04 0.00 0.00 33.50 32.29 1y1k n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1y1k n SER 87 N -2.10 3.42 -4.72 3.54 7.64 -0.17 -4.46 113.62 116.76 1y1k n SER 87 Ca 0.02 -1.96 -0.35 0.00 1.01 0.00 0.00 58.87 57.58 1y1k n SER 87 Cb 0.20 -0.27 0.08 0.00 -1.01 0.00 0.00 64.21 63.22 1y1k n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y1k s ALA 88 N -1.34 2.22 -0.40 -0.43 0.00 -0.53 -3.98 121.76 117.30 1y1k s ALA 88 Ca 0.37 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.12 1y1k s ALA 88 Cb 0.22 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1y1k s ALA 88 CO 0.30 -1.77 0.86 -1.12 0.00 0.00 0.00 175.76 174.04 1y1k s SER 89 N -1.74 6.56 -0.23 0.00 0.01 0.07 -4.97 113.70 113.39 1y1k s SER 89 Ca 0.78 0.30 -0.11 0.00 1.31 0.00 0.00 55.95 58.23 1y1k s SER 89 Cb -0.33 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 1y1k s SER 89 CO 0.43 -0.88 0.17 -0.22 0.41 0.00 0.00 173.24 173.15 1y1k s LEU 90 N 3.42 4.12 -0.15 2.44 2.96 -1.26 -0.59 118.68 129.62 1y1k s LEU 90 Ca 0.35 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1y1k s LEU 90 Cb -0.12 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 1y1k s LEU 90 CO 0.21 0.06 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.88 1y1k s TYR 91 N 1.02 2.85 -0.50 5.38 1.51 0.11 0.21 117.35 127.93 1y1k s TYR 91 Ca 0.08 -0.75 -0.22 0.00 -1.01 0.00 0.00 57.07 55.18 1y1k s TYR 91 Cb -0.13 -1.91 0.04 0.00 -0.11 0.00 0.00 41.96 39.85 1y1k s TYR 91 CO 0.04 -0.31 0.76 0.00 -1.11 0.00 0.00 175.55 174.94 1y1k s ALA 92 N 0.63 3.29 -0.52 3.71 0.00 -0.25 -1.06 121.76 127.55 1y1k s ALA 92 Ca -0.06 -1.36 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 1y1k s ALA 92 Cb -0.15 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.61 1y1k s ALA 92 CO 0.03 -2.08 0.37 0.08 0.00 0.00 0.00 175.76 174.15 1y1k s VAL 93 N 3.21 3.95 -0.38 0.00 1.01 -0.71 -1.30 120.40 126.19 1y1k s VAL 93 Ca 0.24 -2.22 -0.25 0.00 0.00 0.00 0.00 61.98 59.74 1y1k s VAL 93 Cb -0.15 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1y1k s VAL 93 CO 0.17 -0.80 0.91 -0.75 0.00 0.00 0.00 175.10 174.63 1y1k s LYS 94 N 0.84 3.81 0.00 2.72 2.20 -0.33 -1.41 119.74 127.57 1y1k s LYS 94 Ca 0.10 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1y1k s LYS 94 Cb -0.22 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 1y1k s LYS 94 CO -0.03 -0.96 0.27 1.33 -0.36 0.00 0.00 175.35 175.60 1y1k n VAL 95 N 5.99 0.00 -4.96 4.02 0.24 0.62 -0.12 118.33 124.12 1y1k n VAL 95 Ca 0.07 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.34 61.70 1y1k n VAL 95 Cb 0.48 1.24 -0.14 0.00 -1.47 0.00 0.00 33.84 33.95 1y1k n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1y1k s LEU 96 N -0.30 2.49 0.00 1.34 1.43 -0.83 -4.27 118.68 118.53 1y1k s LEU 96 Ca 0.00 -0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1y1k s LEU 96 Cb 0.00 -1.48 0.12 0.00 0.03 0.00 0.00 46.19 44.86 1y1k s LEU 96 CO 0.00 0.32 0.72 0.61 0.23 0.00 0.00 176.35 178.23 1y1k n GLY 97 N 2.16 -0.82 0.39 -3.19 0.00 -0.56 -4.44 105.19 98.73 1y1k n GLY 97 Ca -0.17 -1.77 0.20 0.00 0.00 0.00 0.00 46.02 44.28 1y1k n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1k h ALA 98 N -1.53 2.07 0.00 4.61 0.00 -1.89 0.62 119.26 123.13 1y1k h ALA 98 Ca -0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1y1k h ALA 98 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1y1k h ALA 98 CO 0.18 -0.47 0.00 -0.40 0.00 0.00 0.00 179.25 178.57 1y1k n ASP 99 N -4.67 0.00 -0.01 0.00 5.68 -1.26 -4.17 116.55 112.11 1y1k n ASP 99 Ca 0.25 -1.34 -0.00 0.00 -0.50 0.00 0.00 54.79 53.19 1y1k n ASP 99 Cb 0.79 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.77 1y1k n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y1k n GLY 100 N 0.67 0.47 3.39 6.12 0.00 0.21 -5.04 105.19 111.01 1y1k n GLY 100 Ca 0.13 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1y1k n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y1k s SER 101 N -2.21 3.06 0.04 1.61 1.04 -1.26 -4.86 113.70 111.11 1y1k s SER 101 Ca 0.00 -0.91 -0.13 0.00 0.48 0.00 0.00 55.95 55.39 1y1k s SER 101 Cb 0.00 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.93 1y1k s SER 101 CO 0.00 0.01 0.28 -0.83 0.98 0.00 0.00 173.24 173.67 1y1k s GLY 102 N -2.91 -0.08 0.48 7.32 0.00 -1.26 -1.50 107.32 109.37 1y1k s GLY 102 Ca 0.21 -0.04 -0.20 0.00 0.00 0.00 0.00 44.72 44.69 1y1k s GLY 102 CO 0.09 -0.25 1.02 1.20 0.00 0.00 0.00 173.10 175.16 1y1k s GLN 103 N -2.46 3.87 0.27 2.90 -1.52 -1.26 -4.94 119.66 116.51 1y1k s GLN 103 Ca -0.06 1.26 -0.00 0.00 -1.95 0.00 0.00 55.36 54.62 1y1k s GLN 103 Cb -0.01 -2.11 0.51 0.00 -0.22 0.00 0.00 33.01 31.18 1y1k s GLN 103 CO -0.03 -0.36 1.83 1.88 -0.25 0.00 0.00 175.29 178.36 1y1k h TYR 104 N 1.50 1.09 -0.37 0.91 -1.99 -2.00 -0.39 116.97 115.72 1y1k h TYR 104 Ca -0.49 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1y1k h TYR 104 Cb 1.21 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 1y1k h TYR 104 CO 0.59 0.44 0.24 0.66 -0.00 0.00 0.00 178.16 180.09 1y1k h SER 105 N 0.96 0.42 -0.28 3.88 4.64 -1.99 -0.84 113.55 120.35 1y1k h SER 105 Ca 0.47 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.69 1y1k h SER 105 Cb 0.45 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1y1k h SER 105 CO -0.26 0.31 -0.17 -0.50 -0.87 0.00 0.00 176.83 175.34 1y1k h TRP 106 N 0.50 0.71 -0.39 4.77 6.55 -1.37 -0.59 115.95 126.13 1y1k h TRP 106 Ca 0.14 -0.19 -0.00 0.00 0.95 0.00 0.00 58.89 59.78 1y1k h TRP 106 Cb -0.06 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.07 1y1k h TRP 106 CO 0.00 0.87 0.23 0.82 -1.05 0.00 0.00 178.44 179.31 1y1k h ILE 107 N 0.35 1.13 -0.60 1.49 5.03 -1.18 -1.39 117.51 122.34 1y1k h ILE 107 Ca 0.06 -0.31 -0.03 0.00 -0.12 0.00 0.00 64.86 64.46 1y1k h ILE 107 Cb 0.70 0.64 -0.03 0.00 -3.03 0.00 0.00 36.82 35.11 1y1k h ILE 107 CO 0.05 0.13 0.26 0.40 -0.68 0.00 0.00 178.15 178.31 1y1k h ILE 108 N 0.50 1.22 -0.92 -0.67 2.04 -1.07 -0.53 117.51 118.07 1y1k h ILE 108 Ca 0.14 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.36 1y1k h ILE 108 Cb 0.01 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1y1k h ILE 108 CO -0.03 0.27 0.61 0.78 0.00 0.00 0.00 178.15 179.78 1y1k h ASN 109 N 0.83 0.99 -0.39 1.72 2.35 -0.87 0.30 115.58 120.51 1y1k h ASN 109 Ca 0.20 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1y1k h ASN 109 Cb 0.17 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1y1k h ASN 109 CO -0.02 0.67 0.08 1.23 -1.65 0.00 0.00 177.43 177.74 1y1k h GLY 110 N 1.15 0.69 0.97 2.83 0.00 -0.63 -0.96 103.07 107.12 1y1k h GLY 110 Ca 0.37 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1y1k h GLY 110 CO -0.12 0.41 0.25 -2.22 0.00 0.00 0.00 176.54 174.86 1y1k h ILE 111 N 0.49 1.19 -0.99 2.60 2.04 -0.56 -0.87 117.51 121.40 1y1k h ILE 111 Ca 0.12 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1y1k h ILE 111 Cb 0.34 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1y1k h ILE 111 CO 0.00 0.21 0.65 -0.33 0.00 0.00 0.00 178.15 178.68 1y1k h GLU 112 N 0.66 1.24 -0.57 2.37 4.39 -0.83 -1.29 114.58 120.54 1y1k h GLU 112 Ca 0.17 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1y1k h GLU 112 Cb 0.10 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 1y1k h GLU 112 CO -0.02 0.82 0.33 2.35 -1.16 0.00 0.00 179.01 181.32 1y1k h TRP 113 N 1.28 0.78 -0.69 4.33 7.01 -0.88 -0.97 115.95 126.80 1y1k h TRP 113 Ca 0.39 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.38 1y1k h TRP 113 Cb -0.04 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.74 1y1k h TRP 113 CO -0.00 0.56 0.45 0.00 -2.79 0.00 0.00 178.44 176.65 1y1k h ALA 114 N 1.15 0.87 -0.16 2.65 0.00 -0.48 -0.60 119.26 122.70 1y1k h ALA 114 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1y1k h ALA 114 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1y1k h ALA 114 CO -0.03 0.31 0.07 0.82 0.00 0.00 0.00 179.25 180.41 1y1k h ILE 115 N 0.93 1.14 0.00 0.00 2.04 -0.97 -1.76 117.51 118.89 1y1k h ILE 115 Ca 0.25 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1y1k h ILE 115 Cb -0.09 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1y1k h ILE 115 CO -0.05 0.13 -0.14 0.00 0.00 0.00 0.00 178.15 178.09 1y1k h ALA 116 N 0.93 1.28 -0.65 1.87 0.00 -0.76 -2.30 119.26 119.63 1y1k h ALA 116 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1y1k h ALA 116 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1y1k h ALA 116 CO -0.01 0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.51 1y1k n ASN 117 N -3.66 4.70 -3.45 0.00 3.02 -0.27 -4.97 115.26 110.63 1y1k n ASN 117 Ca -0.02 -2.43 -0.23 0.00 -0.03 0.00 0.00 54.58 51.87 1y1k n ASN 117 Cb 0.26 -0.58 0.07 0.00 -0.61 0.00 0.00 39.78 38.93 1y1k n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1y1k n ASN 118 N 1.14 -6.27 -4.77 6.41 3.02 -0.87 -4.96 115.26 108.96 1y1k n ASN 118 Ca 0.26 -0.50 -0.39 0.00 -0.03 0.00 0.00 54.58 53.91 1y1k n ASN 118 Cb 0.88 -4.92 0.01 0.00 -0.61 0.00 0.00 39.78 35.14 1y1k n ASN 118 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1y1k s MET 119 N -6.21 3.76 0.02 3.52 -1.94 -0.69 -4.86 119.30 112.91 1y1k s MET 119 Ca 0.54 2.28 0.12 0.00 -1.71 0.00 0.00 55.69 56.92 1y1k s MET 119 Cb -0.24 -2.66 -0.20 0.00 2.01 0.00 0.00 34.83 33.74 1y1k s MET 119 CO 0.67 -0.70 0.87 -0.44 -0.01 0.00 0.00 175.02 175.41 1y1k h ASP 120 N 2.39 0.00 -3.69 3.03 3.32 -1.24 -3.43 116.42 116.81 1y1k h ASP 120 Ca -0.50 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.33 1y1k h ASP 120 Cb 1.26 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.52 1y1k h ASP 120 CO 0.61 0.93 -0.62 -0.69 -1.72 0.00 0.00 179.24 177.75 1y1k s VAL 121 N -2.68 -0.01 -0.12 -1.35 1.01 -0.61 -1.51 120.40 115.14 1y1k s VAL 121 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1y1k s VAL 121 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 1y1k s VAL 121 CO 0.82 0.02 -0.13 -0.63 0.00 0.00 0.00 175.10 175.18 1y1k s ILE 122 N 0.32 3.05 -0.16 2.22 1.01 0.21 -0.99 121.20 126.88 1y1k s ILE 122 Ca -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1y1k s ILE 122 Cb -0.03 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1y1k s ILE 122 CO -0.01 0.53 -0.07 0.21 0.00 0.00 0.00 174.94 175.60 1y1k s ASN 123 N 0.22 4.44 -0.46 3.58 2.47 -0.06 -1.19 114.94 123.95 1y1k s ASN 123 Ca -0.08 -0.24 0.04 0.00 0.42 0.00 0.00 52.86 52.99 1y1k s ASN 123 Cb -0.15 -1.71 0.12 0.00 -1.45 0.00 0.00 41.25 38.05 1y1k s ASN 123 CO 0.05 0.14 0.19 -0.04 -3.72 0.00 0.00 177.10 173.72 1y1k s MET 124 N 0.53 1.81 -1.39 0.43 -1.94 0.34 -1.86 119.30 117.22 1y1k s MET 124 Ca -0.05 -2.37 -0.07 0.00 -1.71 0.00 0.00 55.69 51.49 1y1k s MET 124 Cb -0.15 -3.28 0.07 0.00 2.01 0.00 0.00 34.83 33.48 1y1k s MET 124 CO 0.03 -1.05 2.48 0.43 -0.01 0.00 0.00 175.02 176.90 1y1k n SER 125 N 3.50 7.93 -3.76 3.03 7.64 -1.26 -1.61 113.62 129.09 1y1k n SER 125 Ca 0.05 -3.00 -0.09 0.00 1.01 0.00 0.00 58.87 56.83 1y1k n SER 125 Cb 0.36 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.10 1y1k n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1y1k s LEU 126 N -1.38 0.00 0.00 -3.43 0.05 -1.26 -4.81 118.68 107.85 1y1k s LEU 126 Ca 0.57 -0.51 0.00 0.00 0.05 0.00 0.00 54.13 54.23 1y1k s LEU 126 Cb 0.18 2.23 0.00 0.00 -2.05 0.00 0.00 46.19 46.55 1y1k s LEU 126 CO -0.08 -1.10 0.00 0.61 -0.55 0.00 0.00 176.35 175.23 1y1k n GLY 127 N -0.37 -1.76 3.61 -3.48 0.00 -1.26 -4.47 105.19 97.46 1y1k n GLY 127 Ca -0.09 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1y1k n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y1k s GLY 128 N 0.00 -0.39 0.38 -0.02 0.00 -0.15 -4.94 107.32 102.20 1y1k s GLY 128 Ca 0.00 0.18 0.26 0.00 0.00 0.00 0.00 44.72 45.17 1y1k s GLY 128 CO 0.00 0.06 1.76 -0.56 0.00 0.00 0.00 173.10 174.36 1y1k h PRO 129 N 2.00 0.00 -6.46 2.90 0.13 -1.95 0.98 132.00 129.61 1y1k h PRO 129 Ca -0.27 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.23 1y1k h PRO 129 Cb 1.28 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1y1k h PRO 129 CO 0.31 0.00 -0.72 -1.12 -0.23 0.00 0.00 178.00 176.24 1y1k s SER 130 N -5.37 4.29 0.38 1.44 0.01 -1.26 -4.76 113.70 108.42 1y1k s SER 130 Ca 0.06 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1y1k s SER 130 Cb 0.08 -0.75 0.01 0.00 0.21 0.00 0.00 66.02 65.58 1y1k s SER 130 CO 0.58 0.11 0.05 0.61 0.41 0.00 0.00 173.24 175.00 1y1k n GLY 131 N 0.13 0.82 3.20 3.44 0.00 -1.26 -4.69 105.19 106.82 1y1k n GLY 131 Ca -0.11 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 1y1k n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y1k s SER 132 N -1.20 0.03 0.30 1.61 1.04 -1.26 -5.02 113.70 109.20 1y1k s SER 132 Ca 0.03 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1y1k s SER 132 Cb -0.00 0.31 0.49 0.00 0.10 0.00 0.00 66.02 66.92 1y1k s SER 132 CO 0.02 -0.60 1.94 0.00 0.98 0.00 0.00 173.24 175.58 1y1k h ALA 133 N 3.27 1.47 -0.34 5.32 0.00 -2.00 -1.34 119.26 125.64 1y1k h ALA 133 Ca -0.32 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1y1k h ALA 133 Cb 1.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1y1k h ALA 133 CO 0.50 0.45 -0.31 0.00 0.00 0.00 0.00 179.25 179.88 1y1k h ALA 134 N 1.50 0.81 -0.35 0.00 0.00 -1.99 0.12 119.26 119.35 1y1k h ALA 134 Ca 0.34 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1y1k h ALA 134 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1y1k h ALA 134 CO -0.10 0.64 -0.15 1.25 0.00 0.00 0.00 179.25 180.89 1y1k h LEU 135 N 0.63 0.73 -0.77 0.00 5.85 -1.83 -2.07 115.31 117.86 1y1k h LEU 135 Ca 0.07 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1y1k h LEU 135 Cb 0.83 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1y1k h LEU 135 CO 0.07 0.97 0.38 0.50 -0.34 0.00 0.00 178.44 180.02 1y1k h LYS 136 N 0.50 1.09 -0.37 1.25 3.64 -1.04 -1.74 116.57 119.90 1y1k h LYS 136 Ca 0.08 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1y1k h LYS 136 Cb 0.68 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1y1k h LYS 136 CO 0.05 0.84 -0.06 0.00 -2.27 0.00 0.00 179.45 178.01 1y1k h ALA 137 N 1.20 1.20 -0.15 5.00 0.00 -0.83 -0.74 119.26 124.93 1y1k h ALA 137 Ca 0.26 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1y1k h ALA 137 Cb 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1y1k h ALA 137 CO -0.04 0.52 -0.09 0.00 0.00 0.00 0.00 179.25 179.64 1y1k h ALA 138 N 1.36 0.22 -0.59 0.00 0.00 -0.80 0.49 119.26 119.94 1y1k h ALA 138 Ca 0.11 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1y1k h ALA 138 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1y1k h ALA 138 CO 0.02 0.05 0.06 -0.39 0.00 0.00 0.00 179.25 178.99 1y1k h VAL 139 N -0.00 1.26 -0.54 0.00 -1.51 -1.25 -1.29 116.25 112.91 1y1k h VAL 139 Ca 0.03 -1.04 -0.09 0.00 -1.23 0.00 0.00 66.70 64.37 1y1k h VAL 139 Cb 0.58 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.46 1y1k h VAL 139 CO 0.03 0.38 -0.04 0.44 -1.23 0.00 0.00 177.57 177.15 1y1k h ASP 140 N 0.92 0.92 -0.70 4.19 3.32 -1.08 -1.49 116.42 122.50 1y1k h ASP 140 Ca 0.18 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1y1k h ASP 140 Cb 0.46 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1y1k h ASP 140 CO 0.02 1.00 0.27 0.50 -1.72 0.00 0.00 179.24 179.31 1y1k h LYS 141 N 0.86 1.06 -0.24 3.56 3.64 -0.64 0.41 116.57 125.22 1y1k h LYS 141 Ca 0.15 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1y1k h LYS 141 Cb 0.56 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1y1k h LYS 141 CO 0.03 0.89 0.13 0.00 -2.27 0.00 0.00 179.45 178.23 1y1k h ALA 142 N 1.12 0.31 -0.57 5.00 0.00 -0.91 -0.73 119.26 123.49 1y1k h ALA 142 Ca 0.23 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1y1k h ALA 142 Cb 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1y1k h ALA 142 CO -0.02 -0.15 0.07 0.28 0.00 0.00 0.00 179.25 179.44 1y1k h VAL 143 N 0.28 1.26 -0.04 0.00 2.07 -1.14 -1.24 116.25 117.43 1y1k h VAL 143 Ca 0.08 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1y1k h VAL 143 Cb 0.08 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1y1k h VAL 143 CO -0.01 0.37 0.03 0.00 0.02 0.00 0.00 177.57 177.97 1y1k h ALA 144 N 1.00 1.98 -0.01 1.67 0.00 -0.70 -1.44 119.26 121.75 1y1k h ALA 144 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1y1k h ALA 144 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1y1k h ALA 144 CO 0.01 0.02 -0.01 0.43 0.00 0.00 0.00 179.25 179.71 1y1k n SER 145 N -4.53 0.54 0.00 0.00 7.64 -0.30 -4.93 113.62 112.04 1y1k n SER 145 Ca -0.02 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1y1k n SER 145 Cb 0.09 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1y1k n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y1k n GLY 146 N 1.08 0.78 3.76 0.23 0.00 -0.54 -5.07 105.19 105.43 1y1k n GLY 146 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1y1k n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y1k s VAL 147 N -2.00 4.63 -0.19 1.61 1.01 -0.51 -4.14 120.40 120.81 1y1k s VAL 147 Ca 0.00 1.63 -0.28 0.00 0.00 0.00 0.00 61.98 63.33 1y1k s VAL 147 Cb 0.00 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 1y1k s VAL 147 CO 0.00 0.42 0.97 -0.69 0.00 0.00 0.00 175.10 175.80 1y1k s VAL 148 N -0.41 4.75 -0.21 2.92 1.01 -0.57 -4.22 120.40 123.68 1y1k s VAL 148 Ca 0.37 1.92 -0.03 0.00 0.00 0.00 0.00 61.98 64.24 1y1k s VAL 148 Cb -0.21 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 31.91 1y1k s VAL 148 CO 0.24 -0.09 -0.08 -0.69 0.00 0.00 0.00 175.10 174.47 1y1k s VAL 149 N 2.73 3.03 -0.03 2.92 1.01 -1.26 -0.62 120.40 128.19 1y1k s VAL 149 Ca 0.43 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1y1k s VAL 149 Cb -0.16 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1y1k s VAL 149 CO 0.10 0.45 -0.21 -0.69 0.00 0.00 0.00 175.10 174.75 1y1k s VAL 150 N 1.42 1.67 0.04 2.92 1.01 -0.33 -1.41 120.40 125.73 1y1k s VAL 150 Ca 0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1y1k s VAL 150 Cb -0.14 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1y1k s VAL 150 CO -0.06 0.47 0.05 0.00 0.00 0.00 0.00 175.10 175.57 1y1k s ALA 151 N -0.33 0.11 0.41 5.51 0.00 -0.31 -0.50 121.76 126.65 1y1k s ALA 151 Ca 0.04 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 50.99 1y1k s ALA 151 Cb -0.10 0.26 -0.09 0.00 0.00 0.00 0.00 23.12 23.20 1y1k s ALA 151 CO 0.00 -0.32 1.33 0.00 0.00 0.00 0.00 175.76 176.77 1y1k s ALA 152 N -2.91 3.26 0.18 0.00 0.00 -0.63 -1.30 121.76 120.36 1y1k s ALA 152 Ca -0.02 1.28 0.18 0.00 0.00 0.00 0.00 51.96 53.39 1y1k s ALA 152 Cb 0.01 -3.51 0.66 0.00 0.00 0.00 0.00 23.12 20.28 1y1k s ALA 152 CO -0.06 -0.89 1.73 0.00 0.00 0.00 0.00 175.76 176.54 1y1k h ALA 153 N 2.62 1.01 0.00 0.00 0.00 -1.23 -3.40 119.26 118.26 1y1k h ALA 153 Ca -0.50 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1y1k h ALA 153 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1y1k h ALA 153 CO 0.62 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1y1k n GLY 154 N 0.21 2.72 1.99 0.00 0.00 -1.26 -1.37 105.19 107.47 1y1k n GLY 154 Ca -0.00 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 1y1k n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y1k n ASN 155 N 0.00 5.00 -0.33 1.61 3.02 -1.26 -0.93 115.26 122.37 1y1k n ASN 155 Ca 0.00 -3.76 0.13 0.00 -0.03 0.00 0.00 54.58 50.92 1y1k n ASN 155 Cb 0.00 -0.39 0.29 0.00 -0.61 0.00 0.00 39.78 39.07 1y1k n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y1k n GLU 156 N -0.74 1.01 0.00 3.52 -0.58 -1.02 -4.77 120.64 118.06 1y1k n GLU 156 Ca 0.44 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1y1k n GLU 156 Cb 0.94 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 1y1k n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y1k n GLY 157 N 1.35 1.34 3.96 0.62 0.00 -0.23 -4.76 105.19 107.46 1y1k n GLY 157 Ca 0.12 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 1y1k n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y1k s THR 158 N 0.00 5.20 -0.45 2.61 -4.23 -1.26 -3.86 115.64 113.65 1y1k s THR 158 Ca 0.00 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.78 1y1k s THR 158 Cb 0.00 -3.86 0.26 0.00 1.34 0.00 0.00 72.50 70.24 1y1k s THR 158 CO 0.00 -0.42 0.80 -0.24 -0.54 0.00 0.00 174.62 174.22 1y1k n SER 159 N -1.55 -1.72 0.00 3.99 2.88 -1.26 -5.09 113.62 110.87 1y1k n SER 159 Ca -0.07 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.31 1y1k n SER 159 Cb 0.57 0.98 0.00 0.00 -0.75 0.00 0.00 64.21 65.01 1y1k n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y1k n GLY 160 N 1.34 4.01 0.98 0.46 0.00 -1.26 -1.56 105.19 109.16 1y1k n GLY 160 Ca 0.13 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1y1k n GLY 160 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1y1k n SER 161 N 8.44 2.97 -4.77 1.61 7.64 -1.26 -4.97 113.62 123.29 1y1k n SER 161 Ca 0.00 -1.93 -0.38 0.00 1.01 0.00 0.00 58.87 57.57 1y1k n SER 161 Cb 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1y1k n SER 161 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1y1k s SER 162 N -1.65 7.47 0.33 6.43 0.01 -0.60 -5.03 113.70 120.66 1y1k s SER 162 Ca 0.35 1.90 -0.29 0.00 1.31 0.00 0.00 55.95 59.22 1y1k s SER 162 Cb 0.21 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.74 1y1k s SER 162 CO 0.31 0.03 1.33 -0.55 0.41 0.00 0.00 173.24 174.76 1y1k s SER 163 N -1.41 6.72 -0.06 2.44 0.15 -1.26 -4.46 113.70 115.82 1y1k s SER 163 Ca 0.46 2.73 0.09 0.00 0.70 0.00 0.00 55.95 59.93 1y1k s SER 163 Cb -0.22 -2.65 0.13 0.00 -1.71 0.00 0.00 66.02 61.57 1y1k s SER 163 CO 0.28 -0.58 1.04 0.35 1.20 0.00 0.00 173.24 175.52 1y1k n THR 164 N 0.85 1.26 -2.01 6.45 -2.24 0.28 -4.99 114.28 113.87 1y1k n THR 164 Ca 0.00 -1.44 -0.42 0.00 -2.27 0.00 0.00 64.05 59.93 1y1k n THR 164 Cb 0.41 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1y1k n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y1k s VAL 165 N -1.72 2.95 0.73 2.28 1.01 -1.16 -4.63 120.40 119.87 1y1k s VAL 165 Ca 0.15 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 1y1k s VAL 165 Cb 0.13 -3.40 0.15 0.00 0.00 0.00 0.00 36.38 33.26 1y1k s VAL 165 CO 0.01 0.04 0.99 0.61 0.00 0.00 0.00 175.10 176.75 1y1k n GLY 166 N 3.73 0.34 3.88 4.51 0.00 -0.47 -4.71 105.19 112.46 1y1k n GLY 166 Ca 0.14 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 1y1k n GLY 166 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y1k s TYR 167 N -3.04 3.51 -1.91 1.61 2.02 0.34 -0.40 117.35 119.48 1y1k s TYR 167 Ca 0.64 0.36 0.30 0.00 -0.37 0.00 0.00 57.07 58.00 1y1k s TYR 167 Cb -0.03 -1.83 1.45 0.00 -0.40 0.00 0.00 41.96 41.14 1y1k s TYR 167 CO 0.43 0.65 1.98 -0.35 -1.57 0.00 0.00 175.55 176.69 1y1k n PRO 168 N 1.17 0.96 -0.21 -1.71 -0.04 -1.26 -0.98 135.00 132.92 1y1k n PRO 168 Ca -0.13 -0.27 0.18 0.00 -0.04 0.00 0.00 63.50 63.24 1y1k n PRO 168 Cb 0.53 -1.49 0.52 0.00 -0.04 0.00 0.00 33.50 33.02 1y1k n PRO 168 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1y1k h GLY 169 N 4.96 0.76 2.00 0.55 0.00 -1.71 -1.74 103.07 107.88 1y1k h GLY 169 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1y1k h GLY 169 CO 0.00 0.02 0.00 1.70 0.00 0.00 0.00 176.54 178.26 1y1k h LYS 170 N 0.39 0.00 -6.75 4.80 3.64 -1.01 -3.37 116.57 114.27 1y1k h LYS 170 Ca 0.43 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.28 1y1k h LYS 170 Cb 1.07 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1y1k h LYS 170 CO -0.15 0.00 0.72 0.71 -2.27 0.00 0.00 179.45 178.46 1y1k s TYR 171 N -3.43 3.08 0.51 1.91 2.02 -0.66 -4.92 117.35 115.86 1y1k s TYR 171 Ca 0.04 1.12 0.27 0.00 -0.37 0.00 0.00 57.07 58.13 1y1k s TYR 171 Cb 0.09 -3.75 1.38 0.00 -0.40 0.00 0.00 41.96 39.28 1y1k s TYR 171 CO 0.51 -2.38 1.92 -1.35 -1.57 0.00 0.00 175.55 172.68 1y1k h PRO 172 N 4.89 0.07 0.00 -1.71 0.11 -1.89 -1.76 132.00 131.71 1y1k h PRO 172 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1y1k h PRO 172 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1y1k h PRO 172 CO 0.76 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.47 1y1k n SER 173 N -4.34 0.41 -4.73 -2.05 3.41 -1.26 -4.75 113.62 100.31 1y1k n SER 173 Ca 0.16 0.56 -0.35 0.00 -0.26 0.00 0.00 58.87 58.97 1y1k n SER 173 Cb 0.80 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 1y1k n SER 173 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1y1k s VAL 174 N -3.10 4.64 -0.45 -3.33 1.01 -0.66 -4.74 120.40 113.77 1y1k s VAL 174 Ca 0.10 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 1y1k s VAL 174 Cb 0.13 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1y1k s VAL 174 CO 0.48 0.61 0.96 -0.63 0.00 0.00 0.00 175.10 176.52 1y1k s ILE 175 N -0.89 4.44 -0.13 2.22 1.01 -0.50 -4.81 121.20 122.54 1y1k s ILE 175 Ca 0.13 0.88 -0.20 0.00 0.00 0.00 0.00 60.65 61.47 1y1k s ILE 175 Cb -0.12 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1y1k s ILE 175 CO 0.03 -0.84 0.55 0.00 0.00 0.00 0.00 174.94 174.68 1y1k s ALA 176 N 3.85 3.46 -0.18 9.38 0.00 -1.26 -1.16 121.76 135.85 1y1k s ALA 176 Ca 0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 1y1k s ALA 176 Cb -0.10 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1y1k s ALA 176 CO 0.26 -0.14 -0.15 0.08 0.00 0.00 0.00 175.76 175.82 1y1k s VAL 177 N 0.93 2.60 0.52 0.00 1.01 -0.42 -1.35 120.40 123.69 1y1k s VAL 177 Ca 0.29 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1y1k s VAL 177 Cb -0.16 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.14 1y1k s VAL 177 CO 0.12 0.50 0.72 -0.83 0.00 0.00 0.00 175.10 175.62 1y1k s GLY 178 N 1.14 1.86 -0.14 4.51 0.00 -0.28 -0.78 107.32 113.63 1y1k s GLY 178 Ca 0.01 -1.54 -0.03 0.00 0.00 0.00 0.00 44.72 43.17 1y1k s GLY 178 CO -0.05 -1.25 -0.06 0.00 0.00 0.00 0.00 173.10 171.74 1y1k s ALA 179 N -2.65 2.92 0.37 3.20 0.00 -1.26 -1.31 121.76 123.03 1y1k s ALA 179 Ca 0.58 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.78 1y1k s ALA 179 Cb -0.09 -1.45 -0.07 0.00 0.00 0.00 0.00 23.12 21.51 1y1k s ALA 179 CO 0.37 0.26 -0.00 0.14 0.00 0.00 0.00 175.76 176.53 1y1k s VAL 180 N 0.25 2.28 0.00 0.00 -7.23 -0.46 -1.07 120.40 114.16 1y1k s VAL 180 Ca -0.04 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1y1k s VAL 180 Cb -0.14 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1y1k s VAL 180 CO 0.03 -0.11 0.00 -0.90 -0.31 0.00 0.00 175.10 173.81 1y1k n ASP 181 N -0.95 0.03 0.06 4.85 5.68 -0.22 -0.89 116.55 125.11 1y1k n ASP 181 Ca -0.04 -0.93 0.09 0.00 -0.50 0.00 0.00 54.79 53.41 1y1k n ASP 181 Cb 0.64 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 41.02 1y1k n ASP 181 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1y1k n SER 182 N -2.76 0.29 -1.12 -1.12 3.41 -1.26 -1.47 113.62 109.59 1y1k n SER 182 Ca 0.00 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1y1k n SER 182 Cb 0.00 -0.63 0.27 0.00 -0.26 0.00 0.00 64.21 63.59 1y1k n SER 182 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y1k n SER 183 N -1.82 3.30 -0.69 4.04 3.41 -1.26 -4.94 113.62 115.65 1y1k n SER 183 Ca 0.03 -1.97 -0.09 0.00 -0.26 0.00 0.00 58.87 56.58 1y1k n SER 183 Cb 0.21 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1y1k n SER 183 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y1k n ASN 184 N 1.33 -4.46 -4.78 4.04 3.02 -0.54 -5.01 115.26 108.86 1y1k n ASN 184 Ca 0.20 0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.59 1y1k n ASN 184 Cb 0.55 -2.75 -0.06 0.00 -0.61 0.00 0.00 39.78 36.91 1y1k n ASN 184 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1y1k s GLN 185 N -2.56 4.39 0.21 3.52 -1.52 -1.26 -4.78 119.66 117.66 1y1k s GLN 185 Ca 0.00 0.92 -0.32 0.00 -1.95 0.00 0.00 55.36 54.01 1y1k s GLN 185 Cb 0.00 -3.28 -0.13 0.00 -0.22 0.00 0.00 33.01 29.38 1y1k s GLN 185 CO 0.00 0.51 1.61 -2.13 -0.25 0.00 0.00 175.29 175.03 1y1k n ARG 186 N 2.04 2.46 -2.00 2.91 0.63 -1.26 -1.06 116.66 120.37 1y1k n ARG 186 Ca -0.07 0.88 -0.41 0.00 -0.92 0.00 0.00 57.85 57.34 1y1k n ARG 186 Cb 0.50 -2.67 -0.01 0.00 0.45 0.00 0.00 32.46 30.73 1y1k n ARG 186 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1y1k s ALA 187 N 0.68 3.50 0.53 5.13 0.00 -0.23 -4.86 121.76 126.50 1y1k s ALA 187 Ca 0.73 1.37 0.27 0.00 0.00 0.00 0.00 51.96 54.32 1y1k s ALA 187 Cb -0.58 -3.52 1.61 0.00 0.00 0.00 0.00 23.12 20.63 1y1k s ALA 187 CO 0.40 -0.80 2.18 0.66 0.00 0.00 0.00 175.76 178.19 1y1k h SER 188 N 3.18 0.00 1.29 0.00 4.64 -1.92 -1.28 113.55 119.46 1y1k h SER 188 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1y1k h SER 188 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1y1k h SER 188 CO 0.65 0.05 -0.06 2.22 -0.87 0.00 0.00 176.83 178.82 1y1k n PHE 189 N -3.90 0.66 -1.94 4.77 1.16 -1.26 -4.38 117.46 112.56 1y1k n PHE 189 Ca -0.03 0.19 -0.42 0.00 -1.87 0.00 0.00 57.45 55.32 1y1k n PHE 189 Cb 0.13 -0.80 -0.03 0.00 -1.61 0.00 0.00 39.48 37.18 1y1k n PHE 189 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1y1k s SER 190 N -4.10 6.62 0.79 5.98 0.15 -0.49 -1.07 113.70 121.58 1y1k s SER 190 Ca 0.11 2.47 -0.14 0.00 0.70 0.00 0.00 55.95 59.09 1y1k s SER 190 Cb 0.14 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.94 1y1k s SER 190 CO 0.59 -0.87 1.12 -1.20 1.20 0.00 0.00 173.24 174.08 1y1k n SER 191 N 5.46 0.84 -4.24 5.45 7.64 -0.10 -3.83 113.62 124.84 1y1k n SER 191 Ca 0.16 0.61 -0.14 0.00 1.01 0.00 0.00 58.87 60.51 1y1k n SER 191 Cb 0.41 -1.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.03 1y1k n SER 191 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1y1k s VAL 192 N -2.02 0.81 0.00 0.44 -7.23 -1.25 -4.87 120.40 106.28 1y1k s VAL 192 Ca 0.73 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1y1k s VAL 192 Cb -0.31 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1y1k s VAL 192 CO 0.51 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1y1k n GLY 193 N -0.22 3.37 0.21 2.32 0.00 -0.18 -0.55 105.19 110.14 1y1k n GLY 193 Ca -0.08 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.39 1y1k n GLY 193 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y1k h PRO 194 N 0.00 0.00 -0.00 1.61 0.13 -1.87 -2.03 132.00 129.83 1y1k h PRO 194 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1y1k h PRO 194 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1y1k h PRO 194 CO 0.00 0.00 -0.14 0.39 -0.23 0.00 0.00 178.00 178.02 1y1k n GLU 195 N -2.61 0.06 -1.95 0.86 4.71 -1.26 -4.80 120.64 115.65 1y1k n GLU 195 Ca 0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.16 56.72 1y1k n GLU 195 Cb 0.20 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.10 1y1k n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1y1k s LEU 196 N -2.95 4.37 -0.15 -4.62 2.96 -0.76 -4.50 118.68 113.03 1y1k s LEU 196 Ca 0.15 2.51 -0.16 0.00 -0.22 0.00 0.00 54.13 56.41 1y1k s LEU 196 Cb 0.19 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 1y1k s LEU 196 CO 0.57 -0.85 -0.30 -0.67 -1.32 0.00 0.00 176.35 173.77 1y1k n ASP 197 N 5.00 1.77 -4.23 3.68 2.03 -0.46 -4.33 116.55 120.02 1y1k n ASP 197 Ca 0.15 0.30 -0.13 0.00 0.52 0.00 0.00 54.79 55.63 1y1k n ASP 197 Cb 0.40 -0.69 -0.10 0.00 -0.72 0.00 0.00 41.12 40.01 1y1k n ASP 197 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1y1k s VAL 198 N -2.74 0.23 0.22 5.18 -7.23 -1.08 -0.81 120.40 114.18 1y1k s VAL 198 Ca -0.25 -1.98 0.10 0.00 -1.81 0.00 0.00 61.98 58.04 1y1k s VAL 198 Cb 0.03 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1y1k s VAL 198 CO 0.37 -0.12 -0.14 -0.04 -0.31 0.00 0.00 175.10 174.86 1y1k s MET 199 N -4.08 1.89 0.23 4.82 -1.94 0.34 -1.12 119.30 119.44 1y1k s MET 199 Ca 0.35 -1.46 -0.13 0.00 -1.71 0.00 0.00 55.69 52.73 1y1k s MET 199 Cb 0.07 -2.00 -0.00 0.00 2.01 0.00 0.00 34.83 34.91 1y1k s MET 199 CO 0.10 0.39 0.46 0.00 -0.01 0.00 0.00 175.02 175.96 1y1k s ALA 200 N -1.98 -0.31 0.19 3.03 0.00 -0.43 -2.21 121.76 120.05 1y1k s ALA 200 Ca 0.26 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 1y1k s ALA 200 Cb -0.07 1.01 -0.11 0.00 0.00 0.00 0.00 23.12 23.95 1y1k s ALA 200 CO 0.15 -0.82 1.59 -2.14 0.00 0.00 0.00 175.76 174.54 1y1k s PRO 201 N -3.99 4.19 0.00 0.00 0.02 -1.26 -1.36 135.00 132.60 1y1k s PRO 201 Ca 0.20 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1y1k s PRO 201 Cb -0.00 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1y1k s PRO 201 CO 0.06 -0.62 0.93 0.41 -0.33 0.00 0.00 177.00 177.44 1y1k n GLY 202 N 3.54 0.57 3.10 0.52 0.00 -0.07 -3.17 105.19 109.69 1y1k n GLY 202 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1y1k n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y1k s VAL 203 N 0.00 1.77 -1.23 1.61 1.01 -1.23 -0.79 120.40 121.53 1y1k s VAL 203 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1y1k s VAL 203 Cb 0.00 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1y1k s VAL 203 CO 0.00 0.49 0.78 -0.24 0.00 0.00 0.00 175.10 176.13 1y1k n SER 204 N 4.22 -2.62 -4.55 3.32 2.88 -1.11 -4.82 113.62 110.93 1y1k n SER 204 Ca -0.19 -0.81 -0.42 0.00 -1.33 0.00 0.00 58.87 56.12 1y1k n SER 204 Cb 0.51 -4.25 -0.07 0.00 -0.75 0.00 0.00 64.21 59.66 1y1k n SER 204 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1y1k s ILE 205 N -3.57 4.90 0.12 2.46 -1.09 0.04 -4.82 121.20 119.24 1y1k s ILE 205 Ca 0.13 0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 58.67 1y1k s ILE 205 Cb -0.03 -4.09 -0.07 0.00 -1.58 0.00 0.00 42.46 36.69 1y1k s ILE 205 CO 0.80 -0.37 1.15 -1.10 -1.23 0.00 0.00 174.94 174.19 1y1k s GLN 206 N 2.68 4.51 0.35 2.79 -1.52 -1.26 -1.53 119.66 125.69 1y1k s GLN 206 Ca 0.23 1.74 -0.11 0.00 -1.95 0.00 0.00 55.36 55.27 1y1k s GLN 206 Cb -0.15 -3.31 0.04 0.00 -0.22 0.00 0.00 33.01 29.37 1y1k s GLN 206 CO 0.16 -0.10 0.66 0.45 -0.25 0.00 0.00 175.29 176.21 1y1k n SER 207 N 3.15 -1.90 -4.76 5.90 2.88 -0.70 -4.86 113.62 113.32 1y1k n SER 207 Ca 0.06 -2.54 -0.40 0.00 -1.33 0.00 0.00 58.87 54.65 1y1k n SER 207 Cb 0.46 3.23 -0.03 0.00 -0.75 0.00 0.00 64.21 67.13 1y1k n SER 207 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1y1k s THR 208 N -2.33 3.04 0.12 2.46 -4.23 -1.26 -1.34 115.64 112.10 1y1k s THR 208 Ca 0.18 1.05 0.06 0.00 -1.18 0.00 0.00 61.69 61.80 1y1k s THR 208 Cb -0.04 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1y1k s THR 208 CO 0.13 0.25 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.55 1y1k s LEU 209 N -1.65 2.39 0.71 4.79 1.43 0.05 -2.24 118.68 124.16 1y1k s LEU 209 Ca 0.47 -0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 1y1k s LEU 209 Cb -0.36 -0.60 0.02 0.00 0.03 0.00 0.00 46.19 45.28 1y1k s LEU 209 CO 0.48 -0.12 1.19 -2.65 0.23 0.00 0.00 176.35 175.48 1y1k n PRO 210 N 0.59 0.72 -2.94 1.29 -0.02 -1.26 -1.86 135.00 131.52 1y1k n PRO 210 Ca -0.16 0.31 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 1y1k n PRO 210 Cb 0.57 -2.43 0.04 0.00 -0.02 0.00 0.00 33.50 31.66 1y1k n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y1k n GLY 211 N 0.87 0.23 3.60 -1.23 0.00 -1.26 -3.89 105.19 103.51 1y1k n GLY 211 Ca 0.15 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1y1k n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y1k n ASN 212 N -0.84 -2.00 -4.61 1.61 5.15 -1.23 -5.01 115.26 108.34 1y1k n ASN 212 Ca -0.02 -0.72 -0.28 0.00 -0.60 0.00 0.00 54.58 52.95 1y1k n ASN 212 Cb 0.54 -4.51 -0.10 0.00 -0.53 0.00 0.00 39.78 35.17 1y1k n ASN 212 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1y1k s LYS 213 N -5.80 1.98 0.04 1.20 -0.14 -0.77 -5.01 119.74 111.24 1y1k s LYS 213 Ca 0.07 -2.16 0.01 0.00 -1.36 0.00 0.00 55.97 52.53 1y1k s LYS 213 Cb -0.03 -1.47 -0.03 0.00 -1.68 0.00 0.00 37.83 34.62 1y1k s LYS 213 CO 0.78 -0.17 -0.05 0.71 -0.76 0.00 0.00 175.35 175.86 1y1k s TYR 214 N -2.85 0.53 -0.04 3.18 2.02 -1.26 -0.77 117.35 118.16 1y1k s TYR 214 Ca 0.27 -0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 56.00 1y1k s TYR 214 Cb 0.07 -0.34 0.11 0.00 -0.40 0.00 0.00 41.96 41.40 1y1k s TYR 214 CO 0.14 -0.18 1.06 0.20 -1.57 0.00 0.00 175.55 175.19 1y1k s GLY 215 N -1.98 -0.36 -0.30 0.71 0.00 -0.45 -4.86 107.32 100.08 1y1k s GLY 215 Ca -0.06 0.99 -0.16 0.00 0.00 0.00 0.00 44.72 45.49 1y1k s GLY 215 CO -0.03 0.31 0.42 0.00 0.00 0.00 0.00 173.10 173.80 1y1k s ALA 216 N -2.83 3.54 0.30 3.20 0.00 -1.26 -1.73 121.76 122.98 1y1k s ALA 216 Ca 0.09 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.25 1y1k s ALA 216 Cb -0.00 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1y1k s ALA 216 CO -0.05 -0.86 -0.01 0.71 0.00 0.00 0.00 175.76 175.56 1y1k s TYR 217 N 2.16 2.60 0.04 0.00 1.51 -0.58 -4.78 117.35 118.31 1y1k s TYR 217 Ca 0.16 -0.32 0.07 0.00 -1.01 0.00 0.00 57.07 55.97 1y1k s TYR 217 Cb -0.16 -1.31 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1y1k s TYR 217 CO 0.11 0.56 -0.19 -0.80 -1.11 0.00 0.00 175.55 174.11 1y1k s ASN 218 N -3.69 2.28 0.00 2.29 0.01 -1.26 -0.78 114.94 113.79 1y1k s ASN 218 Ca 0.33 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 1y1k s ASN 218 Cb -0.04 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.44 1y1k s ASN 218 CO 0.19 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.52 1y1k n GLY 219 N 1.83 3.39 0.30 0.66 0.00 0.03 -4.80 105.19 106.59 1y1k n GLY 219 Ca -0.17 -1.14 0.18 0.00 0.00 0.00 0.00 46.02 44.89 1y1k n GLY 219 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1y1k h THR 220 N 1.00 0.12 -0.82 2.61 1.35 -1.84 -1.63 112.91 113.70 1y1k h THR 220 Ca 0.00 -0.35 0.17 0.00 -0.55 0.00 0.00 66.41 65.68 1y1k h THR 220 Cb 0.00 1.31 -0.06 0.00 -1.73 0.00 0.00 68.15 67.67 1y1k h THR 220 CO 0.00 0.03 0.55 0.28 -0.25 0.00 0.00 175.52 176.12 1y1k h SER 221 N 0.00 0.39 1.00 5.36 0.02 -1.88 -1.54 113.55 116.90 1y1k h SER 221 Ca -0.00 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.79 1y1k h SER 221 Cb 0.30 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1y1k h SER 221 CO 0.00 0.18 -1.05 0.24 -1.14 0.00 0.00 176.83 175.06 1y1k h MET 222 N 0.40 0.00 -0.06 3.45 2.07 -1.61 -3.36 114.93 115.83 1y1k h MET 222 Ca 0.41 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.95 1y1k h MET 222 Cb 1.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.73 1y1k h MET 222 CO -0.14 0.63 -0.32 0.00 1.07 0.00 0.00 176.91 178.15 1y1k h ALA 223 N 1.23 0.12 -0.50 6.32 0.00 -1.32 -3.36 119.26 121.74 1y1k h ALA 223 Ca -0.08 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.48 1y1k h ALA 223 Cb 1.66 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.35 1y1k h ALA 223 CO 0.09 0.18 -0.22 1.03 0.00 0.00 0.00 179.25 180.33 1y1k h SER 224 N -0.20 -0.75 0.64 0.00 0.87 -1.44 -1.58 113.55 111.09 1y1k h SER 224 Ca -0.02 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1y1k h SER 224 Cb 0.98 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1y1k h SER 224 CO 0.07 -0.24 0.00 1.55 -0.53 0.00 0.00 176.83 177.67 1y1k h PRO 225 N -0.10 0.00 -0.75 2.24 0.13 -1.72 0.01 132.00 131.81 1y1k h PRO 225 Ca 0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.32 1y1k h PRO 225 Cb 0.47 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.56 1y1k h PRO 225 CO -0.57 0.00 0.31 0.45 -0.23 0.00 0.00 178.00 177.96 1y1k h HIS 226 N 0.00 1.13 -0.16 1.56 3.86 -1.42 0.84 115.15 120.95 1y1k h HIS 226 Ca 0.00 -0.08 -0.17 0.00 -1.16 0.00 0.00 60.37 58.96 1y1k h HIS 226 Cb 0.32 -0.34 0.01 0.00 1.06 0.00 0.00 27.41 28.46 1y1k h HIS 226 CO 0.00 0.86 -0.56 0.28 0.86 0.00 0.00 177.93 179.37 1y1k h VAL 227 N 1.07 1.32 -0.48 2.45 2.07 -1.04 -0.68 116.25 120.97 1y1k h VAL 227 Ca 0.25 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 1y1k h VAL 227 Cb 0.20 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1y1k h VAL 227 CO -0.02 0.56 0.22 0.00 0.02 0.00 0.00 177.57 178.35 1y1k h ALA 228 N 0.55 0.61 -0.92 1.67 0.00 -1.12 -0.27 119.26 119.79 1y1k h ALA 228 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1y1k h ALA 228 Cb 1.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1y1k h ALA 228 CO 0.12 0.19 0.55 0.78 0.00 0.00 0.00 179.25 180.88 1y1k h GLY 229 N 0.62 1.33 1.04 0.00 0.00 -0.84 -1.96 103.07 103.26 1y1k h GLY 229 Ca 0.16 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1y1k h GLY 229 CO -0.02 0.54 0.35 0.00 0.00 0.00 0.00 176.54 177.41 1y1k h ALA 230 N 1.34 1.02 -0.88 3.60 0.00 -0.67 -1.26 119.26 122.41 1y1k h ALA 230 Ca 0.33 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1y1k h ALA 230 Cb -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 1y1k h ALA 230 CO -0.06 0.62 0.54 0.00 0.00 0.00 0.00 179.25 180.35 1y1k h ALA 231 N 1.18 1.12 -0.67 0.00 0.00 -0.74 -0.73 119.26 119.42 1y1k h ALA 231 Ca 0.27 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1y1k h ALA 231 Cb 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1y1k h ALA 231 CO -0.03 0.56 0.21 0.00 0.00 0.00 0.00 179.25 179.99 1y1k h ALA 232 N 1.30 1.10 -0.18 0.00 0.00 -0.71 -1.23 119.26 119.52 1y1k h ALA 232 Ca 0.32 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y1k h ALA 232 Cb -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1y1k h ALA 232 CO -0.06 0.62 0.10 -0.07 0.00 0.00 0.00 179.25 179.83 1y1k h LEU 233 N 1.00 0.23 -0.29 0.00 3.38 -0.75 -0.97 115.31 117.91 1y1k h LEU 233 Ca 0.22 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1y1k h LEU 233 Cb 0.28 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1y1k h LEU 233 CO -0.01 0.26 0.14 0.40 0.09 0.00 0.00 178.44 179.32 1y1k h ILE 234 N 0.19 0.98 -0.28 1.22 2.04 -0.98 -2.30 117.51 118.38 1y1k h ILE 234 Ca 0.06 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1y1k h ILE 234 Cb 0.08 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1y1k h ILE 234 CO -0.01 0.05 0.00 -0.07 0.00 0.00 0.00 178.15 178.13 1y1k h LEU 235 N 0.30 0.39 -1.34 1.44 3.38 -1.15 0.12 115.31 118.44 1y1k h LEU 235 Ca 0.12 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1y1k h LEU 235 Cb 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1y1k h LEU 235 CO -0.09 0.45 -0.26 0.77 0.09 0.00 0.00 178.44 179.40 1y1k h SER 236 N 0.41 0.10 0.66 -0.43 4.64 -0.65 -1.36 113.55 116.92 1y1k h SER 236 Ca 0.09 -0.03 -0.27 0.00 -0.47 0.00 0.00 61.79 61.12 1y1k h SER 236 Cb 0.27 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 1y1k h SER 236 CO 0.01 0.37 -1.44 0.50 -0.87 0.00 0.00 176.83 175.40 1y1k h LYS 237 N 0.10 0.03 -2.12 4.77 3.64 -0.93 -3.41 116.57 118.65 1y1k h LYS 237 Ca 0.01 -0.06 -0.58 0.00 -1.27 0.00 0.00 60.65 58.76 1y1k h LYS 237 Cb 0.52 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 31.95 1y1k h LYS 237 CO 0.04 0.76 -0.84 0.72 -2.27 0.00 0.00 179.45 177.85 1y1k n HIS 238 N -3.21 1.65 0.33 1.91 8.25 0.37 -4.99 115.22 119.53 1y1k n HIS 238 Ca -0.11 -3.86 0.22 0.00 -0.26 0.00 0.00 57.72 53.71 1y1k n HIS 238 Cb 1.01 -0.44 1.17 0.00 1.12 0.00 0.00 29.99 32.85 1y1k n HIS 238 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1y1k h PRO 239 N 4.15 0.00 -0.37 -0.41 0.11 -1.48 -1.45 132.00 132.55 1y1k h PRO 239 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1y1k h PRO 239 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1y1k h PRO 239 CO 0.65 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 1y1k n ASN 240 N -3.02 4.31 -4.75 -2.05 6.94 -1.26 -4.92 115.26 110.50 1y1k n ASN 240 Ca -0.03 -2.88 -0.41 0.00 -0.02 0.00 0.00 54.58 51.25 1y1k n ASN 240 Cb 0.07 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 36.90 1y1k n ASN 240 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1y1k s TRP 241 N -2.60 3.51 0.75 -2.53 0.52 -0.55 -5.04 118.94 113.00 1y1k s TRP 241 Ca 0.44 1.60 -0.11 0.00 0.02 0.00 0.00 56.10 58.05 1y1k s TRP 241 Cb 0.34 -3.35 0.04 0.00 -1.15 0.00 0.00 33.47 29.36 1y1k s TRP 241 CO 0.12 -0.80 1.10 0.95 0.02 0.00 0.00 176.95 178.34 1y1k s THR 242 N -0.76 3.22 0.28 2.01 -4.23 -1.26 -4.85 115.64 110.06 1y1k s THR 242 Ca 0.47 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.40 1y1k s THR 242 Cb -0.32 -3.29 0.28 0.00 1.34 0.00 0.00 72.50 70.51 1y1k s THR 242 CO 0.40 -0.52 1.80 -0.55 -0.54 0.00 0.00 174.62 175.21 1y1k h ASN 243 N -0.86 0.78 -0.51 3.99 -1.07 -1.91 -0.15 115.58 115.84 1y1k h ASN 243 Ca -0.46 0.07 0.07 0.00 0.07 0.00 0.00 56.30 56.06 1y1k h ASN 243 Cb 1.26 -0.07 -0.06 0.00 -2.07 0.00 0.00 38.32 37.38 1y1k h ASN 243 CO 0.62 0.35 0.18 0.74 0.07 0.00 0.00 177.43 179.39 1y1k h THR 244 N 0.83 0.82 -0.39 6.14 2.02 -1.92 0.15 112.91 120.54 1y1k h THR 244 Ca 0.51 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 67.44 1y1k h THR 244 Cb 0.66 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1y1k h THR 244 CO -0.33 0.06 -0.30 -0.61 0.37 0.00 0.00 175.52 174.72 1y1k h GLN 245 N 0.35 0.86 -0.50 6.66 5.75 -1.73 -0.82 115.11 125.68 1y1k h GLN 245 Ca 0.25 -0.40 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 1y1k h GLN 245 Cb 0.27 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 1y1k h GLN 245 CO -0.25 1.04 0.10 0.28 -2.65 0.00 0.00 178.83 177.35 1y1k h VAL 246 N 0.73 1.25 -0.19 2.39 2.07 -0.63 0.65 116.25 122.50 1y1k h VAL 246 Ca 0.08 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1y1k h VAL 246 Cb 0.86 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1y1k h VAL 246 CO 0.08 0.32 0.04 -0.09 0.02 0.00 0.00 177.57 177.94 1y1k h ARG 247 N 0.71 0.32 -0.50 1.57 2.43 -0.86 -2.07 114.38 115.98 1y1k h ARG 247 Ca 0.16 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1y1k h ARG 247 Cb 0.37 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1y1k h ARG 247 CO 0.01 0.46 0.17 0.66 -1.51 0.00 0.00 179.97 179.76 1y1k h SER 248 N 0.12 0.66 -0.84 -3.80 4.64 -1.04 -1.19 113.55 112.10 1y1k h SER 248 Ca 0.06 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1y1k h SER 248 Cb 0.30 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 1y1k h SER 248 CO 0.00 0.62 0.49 0.77 -0.87 0.00 0.00 176.83 177.85 1y1k h SER 249 N 0.71 1.02 -0.34 4.97 4.64 -0.42 0.52 113.55 124.66 1y1k h SER 249 Ca 0.17 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1y1k h SER 249 Cb 0.19 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1y1k h SER 249 CO -0.01 0.80 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.59 1y1k h LEU 250 N 1.16 0.67 -0.73 5.97 3.38 -0.99 -3.13 115.31 121.64 1y1k h LEU 250 Ca 0.30 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1y1k h LEU 250 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1y1k h LEU 250 CO -0.05 0.88 -0.27 -0.33 0.09 0.00 0.00 178.44 178.76 1y1k h GLU 251 N 0.44 0.67 -0.01 1.13 5.08 -0.88 -3.20 114.58 117.82 1y1k h GLU 251 Ca 0.08 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1y1k h GLU 251 Cb 0.60 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1y1k h GLU 251 CO 0.04 0.87 -0.15 0.09 -1.00 0.00 0.00 179.01 178.86 1y1k n ASN 252 N -4.10 0.66 -0.07 1.42 5.03 0.14 -3.79 115.26 114.55 1y1k n ASN 252 Ca -0.00 -0.69 0.02 0.00 0.87 0.00 0.00 54.58 54.78 1y1k n ASN 252 Cb 0.45 -0.01 0.03 0.00 -1.02 0.00 0.00 39.78 39.22 1y1k n ASN 252 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1y1k n THR 253 N -0.84 0.79 -0.82 3.41 -2.24 -1.18 -3.08 114.28 110.31 1y1k n THR 253 Ca 0.14 -0.86 -0.31 0.00 -2.27 0.00 0.00 64.05 60.75 1y1k n THR 253 Cb 0.30 0.49 0.15 0.00 -2.10 0.00 0.00 70.33 69.18 1y1k n THR 253 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1y1k s THR 254 N -0.97 2.26 -0.38 4.28 -4.23 -1.21 -4.25 115.64 111.14 1y1k s THR 254 Ca 0.06 0.09 -0.22 0.00 -1.18 0.00 0.00 61.69 60.43 1y1k s THR 254 Cb 0.05 -2.21 0.01 0.00 1.34 0.00 0.00 72.50 71.69 1y1k s THR 254 CO 0.01 -0.11 0.73 -0.89 -0.54 0.00 0.00 174.62 173.82 1y1k s THR 255 N -2.65 4.77 0.36 3.99 2.01 0.01 -3.10 115.64 121.03 1y1k s THR 255 Ca 0.66 0.69 -0.27 0.00 0.31 0.00 0.00 61.69 63.08 1y1k s THR 255 Cb -0.22 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 1y1k s THR 255 CO 0.57 -0.44 1.26 -0.54 -0.69 0.00 0.00 174.62 174.78 1y1k s LYS 256 N 2.99 4.22 0.00 4.92 -0.14 -1.26 -1.06 119.74 129.42 1y1k s LYS 256 Ca 0.29 2.10 0.00 0.00 -1.36 0.00 0.00 55.97 56.99 1y1k s LYS 256 Cb -0.13 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.09 1y1k s LYS 256 CO 0.17 -0.26 0.00 1.28 -0.76 0.00 0.00 175.35 175.79 1y1k n LEU 257 N 0.53 0.00 0.00 3.17 4.77 -1.26 -4.90 117.00 119.31 1y1k n LEU 257 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1y1k n LEU 257 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1y1k n LEU 257 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1y1k n GLY 258 N 5.00 0.60 3.67 -0.72 0.00 -1.26 -5.00 105.19 107.48 1y1k n GLY 258 Ca 0.00 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 43.92 1y1k n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y1k n ASP 259 N 0.00 2.50 0.31 1.61 2.03 -1.26 -4.71 116.55 117.04 1y1k n ASP 259 Ca 0.00 1.17 0.19 0.00 0.52 0.00 0.00 54.79 56.67 1y1k n ASP 259 Cb 0.00 -1.42 1.05 0.00 -0.72 0.00 0.00 41.12 40.03 1y1k n ASP 259 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1y1k h SER 260 N 3.23 0.00 0.15 1.67 4.64 -1.92 -0.89 113.55 120.44 1y1k h SER 260 Ca -0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1y1k h SER 260 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1y1k h SER 260 CO 0.68 0.00 -0.19 0.15 -0.87 0.00 0.00 176.83 176.60 1y1k h PHE 261 N 0.00 0.10 0.00 4.77 3.57 -1.87 -0.20 116.94 123.31 1y1k h PHE 261 Ca 0.01 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1y1k h PHE 261 Cb 0.10 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1y1k h PHE 261 CO 0.00 0.28 -2.03 0.66 -2.23 0.00 0.00 178.31 175.00 1y1k n TYR 262 N -4.27 0.00 -0.28 0.41 4.01 -0.53 -1.01 117.16 115.49 1y1k n TYR 262 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1y1k n TYR 262 Cb 0.28 -0.66 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 1y1k n TYR 262 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1y1k n TYR 263 N -2.41 0.00 -2.13 -0.72 4.01 -0.45 -4.94 117.16 110.51 1y1k n TYR 263 Ca -0.17 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1y1k n TYR 263 Cb 0.80 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 1y1k n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y1k n GLY 264 N -0.05 2.40 0.00 2.72 0.00 -0.09 -1.19 105.19 108.99 1y1k n GLY 264 Ca 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.89 1y1k n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y1k n LYS 265 N 14.00 0.43 0.00 1.61 5.02 0.01 -4.09 118.16 135.15 1y1k n LYS 265 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1y1k n LYS 265 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1y1k n LYS 265 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y1k n GLY 266 N 1.06 -0.90 3.72 0.72 0.00 -0.33 -4.01 105.19 105.45 1y1k n GLY 266 Ca 0.14 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 1y1k n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y1k s LEU 267 N 0.00 4.44 0.62 0.99 2.96 -0.22 -0.50 118.68 126.97 1y1k s LEU 267 Ca 0.00 1.73 -0.18 0.00 -0.22 0.00 0.00 54.13 55.46 1y1k s LEU 267 Cb 0.00 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 1y1k s LEU 267 CO 0.00 -0.15 1.22 0.27 -1.32 0.00 0.00 176.35 176.36 1y1k s ILE 268 N 0.46 2.52 -0.31 6.68 -4.36 -0.94 -0.81 121.20 124.44 1y1k s ILE 268 Ca 0.49 0.31 -0.02 0.00 -0.26 0.00 0.00 60.65 61.17 1y1k s ILE 268 Cb -0.22 -3.07 0.11 0.00 1.25 0.00 0.00 42.46 40.53 1y1k s ILE 268 CO 0.29 -0.08 0.14 0.21 0.24 0.00 0.00 174.94 175.74 1y1k s ASN 269 N -1.67 3.55 0.44 4.36 3.84 -1.26 -4.55 114.94 119.65 1y1k s ASN 269 Ca 0.77 -1.60 0.24 0.00 0.21 0.00 0.00 52.86 52.48 1y1k s ASN 269 Cb -0.31 -0.51 0.92 0.00 -0.55 0.00 0.00 41.25 40.80 1y1k s ASN 269 CO 0.36 -0.40 1.83 1.62 -2.79 0.00 0.00 177.10 177.72 1y1k h VAL 270 N 6.11 0.58 0.13 -5.21 3.04 -1.45 -0.97 116.25 118.47 1y1k h VAL 270 Ca -0.13 -1.12 -0.01 0.00 -1.01 0.00 0.00 66.70 64.43 1y1k h VAL 270 Cb 1.00 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 1y1k h VAL 270 CO 0.42 0.23 -0.06 -0.61 -1.01 0.00 0.00 177.57 176.53 1y1k h GLN 271 N 0.00 -0.17 -0.50 4.17 4.15 -1.74 -1.43 115.11 119.59 1y1k h GLN 271 Ca -0.00 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 1y1k h GLN 271 Cb 0.74 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 1y1k h GLN 271 CO 0.03 0.00 -0.08 0.00 -1.93 0.00 0.00 178.83 176.85 1y1k h ALA 272 N 0.54 0.91 -0.39 3.38 0.00 -1.87 -2.97 119.26 118.86 1y1k h ALA 272 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1y1k h ALA 272 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1y1k h ALA 272 CO 0.03 0.63 0.20 0.00 0.00 0.00 0.00 179.25 180.12 1y1k h ALA 273 N 1.08 1.63 -0.32 0.00 0.00 -0.98 -2.52 119.26 118.15 1y1k h ALA 273 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1y1k h ALA 273 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1y1k h ALA 273 CO 0.04 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1y1k n ALA 274 N -2.48 2.46 -2.00 0.00 0.00 -0.55 -4.80 120.51 113.14 1y1k n ALA 274 Ca 0.03 -0.61 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 1y1k n ALA 274 Cb 0.10 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.60 1y1k n ALA 274 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y1k s GLN 275 N -1.57 2.78 0.17 0.00 -1.52 -0.95 -5.00 119.66 113.57 1y1k s GLN 275 Ca 0.25 0.11 -0.13 0.00 -1.95 0.00 0.00 55.36 53.65 1y1k s GLN 275 Cb 0.13 -2.17 0.07 0.00 -0.22 0.00 0.00 33.01 30.82 1y1k s GLN 275 CO 0.18 -0.90 1.76 0.45 -0.25 0.00 0.00 175.29 176.53 1y1k h HIS 276 N -0.41 0.80 -3.31 0.91 3.86 -1.89 -3.43 115.15 111.68 1y1k h HIS 276 Ca -0.45 -0.03 -0.65 0.00 -1.16 0.00 0.00 60.37 58.08 1y1k h HIS 276 Cb 1.27 -0.25 -0.25 0.00 1.06 0.00 0.00 27.41 29.24 1y1k h HIS 276 CO 0.46 0.60 -0.72 -1.01 0.86 0.00 0.00 177.93 178.12 1y1k s HIS 277 N -5.77 2.90 -0.10 2.45 3.76 -1.26 -5.11 115.29 112.16 1y1k s HIS 277 Ca -0.13 -0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 54.26 1y1k s HIS 277 Cb 0.12 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.89 1y1k s HIS 277 CO 0.77 -0.15 -0.06 -1.01 -0.85 0.00 0.00 174.74 173.45 1y1k s HIS 278 N 0.37 2.97 0.18 1.40 0.09 -1.26 -4.99 115.29 114.05 1y1k s HIS 278 Ca -0.08 -0.13 -0.18 0.00 -0.00 0.00 0.00 55.06 54.67 1y1k s HIS 278 Cb -0.15 -1.81 0.03 0.00 -0.00 0.00 0.00 32.58 30.66 1y1k s HIS 278 CO 0.04 0.18 0.53 -3.38 -0.00 0.00 0.00 174.74 172.11 1y1k s HIS 279 N -0.33 -0.20 0.36 1.40 -3.43 -1.24 -4.96 115.29 106.89 1y1k s HIS 279 Ca 0.05 -0.13 -0.25 0.00 -0.80 0.00 0.00 55.06 53.93 1y1k s HIS 279 Cb -0.12 0.41 -0.10 0.00 -1.43 0.00 0.00 32.58 31.34 1y1k s HIS 279 CO 0.02 -0.89 0.97 -1.01 -2.00 0.00 0.00 174.74 171.83 1y1k s HIS 280 N -3.85 3.53 -1.36 0.38 3.76 -1.18 -4.38 115.29 112.20 1y1k s HIS 280 Ca 0.07 1.72 0.11 0.00 -0.15 0.00 0.00 55.06 56.81 1y1k s HIS 280 Cb -0.01 -2.97 0.09 0.00 1.11 0.00 0.00 32.58 30.80 1y1k s HIS 280 CO -0.05 -0.05 0.85 0.72 -0.85 0.00 0.00 174.74 175.36