#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubn s GLN 2 N 0.00 2.53 0.02 0.00 0.74 -1.22 -3.21 119.66 118.52 1ubn s GLN 2 Ca 0.00 -0.71 0.06 0.00 0.05 0.00 0.00 55.36 54.76 1ubn s GLN 2 Cb 0.00 -2.47 -0.03 0.00 1.10 0.00 0.00 33.01 31.61 1ubn s GLN 2 CO 0.00 0.61 -0.16 -1.54 -0.55 0.00 0.00 175.29 173.64 1ubn s SER 3 N -1.24 3.90 -0.39 6.67 1.04 0.07 -4.96 113.70 118.78 1ubn s SER 3 Ca 0.15 -0.35 -0.19 0.00 0.48 0.00 0.00 55.95 56.04 1ubn s SER 3 Cb -0.11 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.33 1ubn s SER 3 CO 0.05 0.28 0.57 -0.69 0.98 0.00 0.00 173.24 174.43 1ubn s VAL 4 N -0.88 4.94 0.60 5.02 1.01 -1.26 -3.39 120.40 126.44 1ubn s VAL 4 Ca 0.14 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 1ubn s VAL 4 Cb -0.11 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1ubn s VAL 4 CO 0.04 -0.39 1.01 -2.65 0.00 0.00 0.00 175.10 173.12 1ubn n PRO 5 N 5.95 0.95 -0.07 2.72 -0.02 -1.26 -4.88 135.00 138.39 1ubn n PRO 5 Ca -0.03 0.37 0.03 0.00 -2.02 0.00 0.00 63.50 61.84 1ubn n PRO 5 Cb 0.48 -2.22 0.36 0.00 -0.02 0.00 0.00 33.50 32.11 1ubn n PRO 5 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1ubn h TYR 6 N 0.54 0.65 0.00 6.00 -0.00 -1.96 -2.58 116.97 119.62 1ubn h TYR 6 Ca -0.49 0.01 -0.05 0.00 0.00 0.00 0.00 58.73 58.20 1ubn h TYR 6 Cb 1.36 -0.22 -0.01 0.00 0.00 0.00 0.00 36.73 37.86 1ubn h TYR 6 CO 0.38 0.42 -0.25 0.78 -0.00 0.00 0.00 178.16 179.49 1ubn h GLY 7 N 0.71 0.00 0.85 0.10 0.00 -1.96 0.51 103.07 103.29 1ubn h GLY 7 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1ubn h GLY 7 CO -0.04 0.00 0.03 -2.08 0.00 0.00 0.00 176.54 174.46 1ubn h VAL 8 N 0.00 1.23 -0.42 4.60 2.07 -1.82 -1.99 116.25 119.93 1ubn h VAL 8 Ca -0.00 -0.77 -0.15 0.00 0.82 0.00 0.00 66.70 66.59 1ubn h VAL 8 Cb 0.48 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1ubn h VAL 8 CO 0.03 0.24 -0.34 0.28 0.02 0.00 0.00 177.57 177.81 1ubn h SER 9 N 0.19 1.02 -0.72 0.57 0.02 -1.56 -2.56 113.55 110.50 1ubn h SER 9 Ca 0.07 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.53 1ubn h SER 9 Cb 0.33 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1ubn h SER 9 CO 0.01 1.25 0.28 -0.61 -1.14 0.00 0.00 176.83 176.61 1ubn h GLN 10 N 0.80 1.09 -0.01 3.45 4.15 -0.53 -1.07 115.11 122.99 1ubn h GLN 10 Ca 0.08 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1ubn h GLN 10 Cb 0.93 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1ubn h GLN 10 CO 0.09 0.89 0.00 0.44 -1.93 0.00 0.00 178.83 178.32 1ubn n ILE 11 N -4.28 0.01 -2.80 2.39 -5.35 -0.78 -4.91 119.36 103.64 1ubn n ILE 11 Ca 0.06 -0.01 -0.17 0.00 -0.27 0.00 0.00 62.75 62.36 1ubn n ILE 11 Cb 0.19 -0.22 0.02 0.00 -1.74 0.00 0.00 39.64 37.89 1ubn n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ubn n LYS 12 N -0.71 -3.59 -0.22 6.28 5.02 -0.40 -0.80 118.16 123.74 1ubn n LYS 12 Ca 0.11 0.73 -0.09 0.00 -2.02 0.00 0.00 58.31 57.04 1ubn n LYS 12 Cb 0.06 -5.18 0.03 0.00 -0.02 0.00 0.00 35.03 29.92 1ubn n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ubn h ALA 13 N 0.79 0.83 -0.27 7.82 0.00 -1.66 -3.16 119.26 123.60 1ubn h ALA 13 Ca -0.42 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.28 1ubn h ALA 13 Cb 1.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ubn h ALA 13 CO 0.45 0.64 0.22 -1.35 0.00 0.00 0.00 179.25 179.20 1ubn h PRO 14 N 0.97 0.00 -0.53 0.00 0.11 -1.89 -1.48 132.00 129.17 1ubn h PRO 14 Ca 0.18 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.32 1ubn h PRO 14 Cb 0.51 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 1ubn h PRO 14 CO 0.02 0.00 0.32 0.00 -0.21 0.00 0.00 178.00 178.13 1ubn h ALA 15 N 1.81 0.68 0.00 -0.75 0.00 -1.95 0.93 119.26 119.98 1ubn h ALA 15 Ca 0.13 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1ubn h ALA 15 Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ubn h ALA 15 CO -0.00 0.02 -0.87 -0.07 0.00 0.00 0.00 179.25 178.33 1ubn h LEU 16 N 0.63 0.25 -0.86 0.00 3.38 -1.43 -2.61 115.31 114.67 1ubn h LEU 16 Ca 0.21 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1ubn h LEU 16 Cb 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1ubn h LEU 16 CO -0.10 1.01 0.17 0.45 0.09 0.00 0.00 178.44 180.06 1ubn h HIS 17 N 0.11 1.05 -1.01 1.13 3.86 -1.05 -0.00 115.15 119.24 1ubn h HIS 17 Ca -0.04 -0.11 0.04 0.00 -1.16 0.00 0.00 60.37 59.10 1ubn h HIS 17 Cb 1.50 -0.30 -0.06 0.00 1.06 0.00 0.00 27.41 29.61 1ubn h HIS 17 CO 0.03 0.86 0.66 0.77 0.86 0.00 0.00 177.93 181.10 1ubn h SER 18 N 0.97 1.10 0.28 2.45 0.02 -0.60 -0.88 113.55 116.88 1ubn h SER 18 Ca 0.21 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1ubn h SER 18 Cb 0.33 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1ubn h SER 18 CO -0.00 0.75 0.00 0.00 -1.14 0.00 0.00 176.83 176.44 1ubn n GLN 19 N -4.44 0.46 -0.39 3.45 6.02 -0.58 -4.89 117.38 117.01 1ubn n GLN 19 Ca 0.14 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1ubn n GLN 19 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1ubn n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ubn n GLY 20 N 0.57 0.78 3.43 1.08 0.00 -0.34 -5.04 105.19 105.68 1ubn n GLY 20 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ubn n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ubn s TYR 21 N -2.19 3.24 0.00 1.61 2.02 -0.12 -4.88 117.35 117.04 1ubn s TYR 21 Ca 0.00 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1ubn s TYR 21 Cb 0.00 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 1ubn s TYR 21 CO 0.00 -0.61 0.51 0.25 -1.57 0.00 0.00 175.55 174.13 1ubn n THR 22 N 5.11 0.19 -0.18 -0.71 -2.24 -1.26 -2.67 114.28 112.52 1ubn n THR 22 Ca -0.11 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1ubn n THR 22 Cb 0.47 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1ubn n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubn n GLY 23 N -0.10 0.90 3.71 3.38 0.00 -1.26 -1.27 105.19 110.55 1ubn n GLY 23 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1ubn n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ubn n SER 24 N 0.17 3.19 0.00 1.61 7.64 -1.25 -1.95 113.62 123.03 1ubn n SER 24 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1ubn n SER 24 Cb 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 1ubn n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ubn n ASN 25 N 1.70 -4.05 -4.85 6.43 4.13 -1.25 -4.77 115.26 112.59 1ubn n ASN 25 Ca 0.08 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.97 1ubn n ASN 25 Cb 0.35 -2.14 -0.06 0.00 -1.54 0.00 0.00 39.78 36.39 1ubn n ASN 25 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ubn s VAL 26 N -1.54 5.10 -0.19 2.41 1.01 -0.82 -4.86 120.40 121.51 1ubn s VAL 26 Ca 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1ubn s VAL 26 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1ubn s VAL 26 CO 0.00 0.50 -0.02 -0.54 0.00 0.00 0.00 175.10 175.04 1ubn s LYS 27 N -1.30 3.59 -0.14 2.72 1.02 -1.26 -0.07 119.74 124.30 1ubn s LYS 27 Ca 0.25 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.72 1ubn s LYS 27 Cb -0.15 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1ubn s LYS 27 CO 0.14 0.05 -0.17 0.08 -0.92 0.00 0.00 175.35 174.53 1ubn s VAL 28 N 0.87 1.74 -0.15 3.17 1.01 0.14 -0.53 120.40 126.64 1ubn s VAL 28 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 1ubn s VAL 28 Cb -0.14 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1ubn s VAL 28 CO 0.02 0.49 0.30 0.00 0.00 0.00 0.00 175.10 175.90 1ubn s ALA 29 N 1.10 3.60 -0.41 5.51 0.00 -0.07 -0.97 121.76 130.52 1ubn s ALA 29 Ca -0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 1ubn s ALA 29 Cb -0.14 -2.39 0.09 0.00 0.00 0.00 0.00 23.12 20.68 1ubn s ALA 29 CO -0.05 0.11 0.22 0.08 0.00 0.00 0.00 175.76 176.12 1ubn s VAL 30 N 0.38 3.71 -0.54 0.00 1.01 -0.30 -0.84 120.40 123.83 1ubn s VAL 30 Ca 0.17 -1.72 -0.23 0.00 0.00 0.00 0.00 61.98 60.20 1ubn s VAL 30 Cb -0.13 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1ubn s VAL 30 CO 0.04 -0.58 0.85 -0.63 0.00 0.00 0.00 175.10 174.79 1ubn s ILE 31 N 1.28 4.53 0.00 2.22 1.01 -0.82 -1.84 121.20 127.58 1ubn s ILE 31 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1ubn s ILE 31 Cb -0.23 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 37.76 1ubn s ILE 31 CO -0.01 -1.04 0.00 -0.67 0.00 0.00 0.00 174.94 173.22 1ubn n ASP 32 N 7.09 1.14 -1.74 3.58 -0.08 -0.59 -4.31 116.55 121.64 1ubn n ASP 32 Ca -0.01 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.34 1ubn n ASP 32 Cb 0.47 0.00 0.37 0.00 2.34 0.00 0.00 41.12 44.30 1ubn n ASP 32 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1ubn n SER 33 N 0.00 5.23 0.00 1.67 3.41 -1.26 -0.13 113.62 122.54 1ubn n SER 33 Ca 0.00 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1ubn n SER 33 Cb 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1ubn n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ubn n GLY 34 N 0.75 1.31 2.74 5.00 0.00 -1.26 -4.42 105.19 109.30 1ubn n GLY 34 Ca 0.26 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1ubn n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubn s ILE 35 N -1.74 -0.10 -0.82 -0.61 1.01 -0.99 -3.38 121.20 114.58 1ubn s ILE 35 Ca 0.00 0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.72 1ubn s ILE 35 Cb 0.00 -0.14 -0.02 0.00 0.01 0.00 0.00 42.46 42.31 1ubn s ILE 35 CO 0.00 0.13 1.82 -0.62 0.00 0.00 0.00 174.94 176.27 1ubn s ASP 36 N 1.67 5.41 0.38 3.58 2.15 -1.26 -4.11 116.67 124.48 1ubn s ASP 36 Ca -0.02 -0.46 0.25 0.00 0.43 0.00 0.00 52.55 52.75 1ubn s ASP 36 Cb -0.12 -2.55 1.38 0.00 -0.30 0.00 0.00 42.92 41.33 1ubn s ASP 36 CO -0.03 -2.43 1.78 0.77 -0.17 0.00 0.00 175.17 175.08 1ubn h SER 37 N 12.08 0.00 0.17 -0.34 4.64 -1.93 -1.67 113.55 126.51 1ubn h SER 37 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ubn h SER 37 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1ubn h SER 37 CO 1.24 0.00 -0.06 -1.54 -0.87 0.00 0.00 176.83 175.60 1ubn n SER 38 N -2.39 0.67 -4.72 4.97 3.41 -1.26 -4.71 113.62 109.58 1ubn n SER 38 Ca -0.02 -0.94 -0.42 0.00 -0.26 0.00 0.00 58.87 57.23 1ubn n SER 38 Cb 0.04 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1ubn n SER 38 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1ubn s HIS 39 N -2.24 2.91 -1.62 7.33 2.46 -0.63 -4.83 115.29 118.67 1ubn s HIS 39 Ca 0.36 0.38 0.04 0.00 0.47 0.00 0.00 55.06 56.31 1ubn s HIS 39 Cb 0.21 -4.10 0.22 0.00 -0.13 0.00 0.00 32.58 28.77 1ubn s HIS 39 CO 0.41 -4.17 0.88 -0.35 -2.47 0.00 0.00 174.74 169.04 1ubn n PRO 40 N 4.05 0.08 -0.15 2.88 -0.04 -1.26 -2.31 135.00 138.25 1ubn n PRO 40 Ca 0.16 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.87 1ubn n PRO 40 Cb 0.36 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.47 1ubn n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ubn n ASP 41 N -1.19 2.66 -4.09 3.54 2.03 -1.26 -4.95 116.55 113.29 1ubn n ASP 41 Ca 0.02 -2.98 -0.14 0.00 0.52 0.00 0.00 54.79 52.21 1ubn n ASP 41 Cb 0.03 -0.42 -0.11 0.00 -0.72 0.00 0.00 41.12 39.89 1ubn n ASP 41 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ubn s LEU 42 N -2.71 2.27 -0.14 -2.67 1.43 -0.98 -1.24 118.68 114.64 1ubn s LEU 42 Ca 0.32 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1ubn s LEU 42 Cb 0.27 -0.23 0.03 0.00 0.03 0.00 0.00 46.19 46.29 1ubn s LEU 42 CO 0.04 -0.19 -0.06 -0.75 0.23 0.00 0.00 176.35 175.63 1ubn s LYS 43 N -1.68 1.41 -0.13 1.70 2.20 -1.26 -4.75 119.74 117.23 1ubn s LYS 43 Ca -0.08 -0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 55.13 1ubn s LYS 43 Cb -0.10 -1.75 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 1ubn s LYS 43 CO 0.01 -0.35 0.05 0.08 -0.36 0.00 0.00 175.35 174.77 1ubn s VAL 44 N 1.70 4.68 -0.46 4.02 1.01 -1.26 -4.41 120.40 125.67 1ubn s VAL 44 Ca 0.03 -0.09 0.22 0.00 0.00 0.00 0.00 61.98 62.14 1ubn s VAL 44 Cb -0.14 -3.04 -0.17 0.00 0.00 0.00 0.00 36.38 33.03 1ubn s VAL 44 CO -0.08 0.54 0.88 0.00 0.00 0.00 0.00 175.10 176.44 1ubn n ALA 45 N 2.75 3.31 0.00 5.51 0.00 0.15 -4.98 120.51 127.25 1ubn n ALA 45 Ca -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1ubn n ALA 45 Cb 0.53 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1ubn n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ubn n GLY 46 N 1.33 -1.59 0.00 0.00 0.00 -1.23 -5.01 105.19 98.69 1ubn n GLY 46 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1ubn n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubn n GLY 47 N -0.17 0.27 3.48 -0.02 0.00 -1.26 -0.95 105.19 106.54 1ubn n GLY 47 Ca 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 1ubn n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ubn s ALA 48 N -1.88 -1.47 -0.13 4.61 0.00 -0.67 -4.94 121.76 117.29 1ubn s ALA 48 Ca 0.00 1.49 -0.05 0.00 0.00 0.00 0.00 51.96 53.40 1ubn s ALA 48 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1ubn s ALA 48 CO 0.00 -0.30 0.04 0.45 0.00 0.00 0.00 175.76 175.96 1ubn s SER 49 N -0.13 5.55 0.00 0.00 0.15 -1.26 -1.44 113.70 116.57 1ubn s SER 49 Ca -0.03 0.17 0.16 0.00 0.70 0.00 0.00 55.95 56.95 1ubn s SER 49 Cb -0.03 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 1ubn s SER 49 CO 0.03 0.31 0.81 0.23 1.20 0.00 0.00 173.24 175.82 1ubn n MET 50 N 2.62 1.74 -3.04 5.44 2.81 0.54 -4.93 117.12 122.30 1ubn n MET 50 Ca -0.18 -0.65 -0.41 0.00 -1.81 0.00 0.00 57.70 54.65 1ubn n MET 50 Cb 0.53 -1.26 -0.05 0.00 -0.71 0.00 0.00 33.22 31.73 1ubn n MET 50 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ubn s VAL 51 N -2.00 4.97 0.23 2.03 1.01 -1.21 -4.83 120.40 120.60 1ubn s VAL 51 Ca 0.12 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.36 1ubn s VAL 51 Cb 0.13 -4.01 0.19 0.00 0.00 0.00 0.00 36.38 32.69 1ubn s VAL 51 CO 0.45 0.07 1.84 -0.65 0.00 0.00 0.00 175.10 176.81 1ubn h PRO 52 N 7.47 0.87 0.05 2.72 0.11 -1.96 -3.04 132.00 138.22 1ubn h PRO 52 Ca -0.30 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 65.53 1ubn h PRO 52 Cb 1.14 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1ubn h PRO 52 CO 0.80 0.57 -1.06 0.77 -0.21 0.00 0.00 178.00 178.88 1ubn h SER 53 N 0.89 0.22 -3.76 -2.05 0.02 -2.01 -3.40 113.55 103.46 1ubn h SER 53 Ca 0.35 -0.22 -0.67 0.00 -0.84 0.00 0.00 61.79 60.41 1ubn h SER 53 Cb 0.16 -0.07 -0.38 0.00 0.14 0.00 0.00 62.40 62.25 1ubn h SER 53 CO -0.17 1.13 -0.62 -1.61 -1.14 0.00 0.00 176.83 174.42 1ubn s GLU 54 N -2.82 1.81 0.00 3.45 2.02 -1.15 -4.92 118.70 117.08 1ubn s GLU 54 Ca -0.02 -2.03 0.29 0.00 0.02 0.00 0.00 54.97 53.23 1ubn s GLU 54 Cb 0.09 -3.39 1.21 0.00 0.10 0.00 0.00 34.13 32.14 1ubn s GLU 54 CO 0.85 -1.03 1.84 0.25 0.02 0.00 0.00 175.26 177.19 1ubn n THR 55 N 4.12 0.00 -3.51 3.63 -2.24 -1.26 -4.31 114.28 110.72 1ubn n THR 55 Ca 0.03 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1ubn n THR 55 Cb 0.40 0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 1ubn n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ubn s ASN 56 N -2.19 5.96 0.26 3.42 3.84 -1.26 -4.50 114.94 120.47 1ubn s ASN 56 Ca 0.36 -0.93 0.24 0.00 0.21 0.00 0.00 52.86 52.74 1ubn s ASN 56 Cb 0.21 -2.11 0.97 0.00 -0.55 0.00 0.00 41.25 39.77 1ubn s ASN 56 CO 0.40 -0.42 1.73 -0.81 -2.79 0.00 0.00 177.10 175.22 1ubn n PRO 57 N 5.10 0.22 -0.72 0.43 -0.04 -1.26 -2.90 135.00 135.83 1ubn n PRO 57 Ca -0.11 0.40 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 1ubn n PRO 57 Cb 0.47 -1.88 0.36 0.00 -0.04 0.00 0.00 33.50 32.40 1ubn n PRO 57 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ubn n PHE 58 N -2.28 1.69 -4.07 0.54 3.72 -1.26 -2.34 117.46 113.45 1ubn n PHE 58 Ca 0.03 -0.62 -0.32 0.00 -0.05 0.00 0.00 57.45 56.49 1ubn n PHE 58 Cb 0.26 -0.37 -0.16 0.00 -0.94 0.00 0.00 39.48 38.27 1ubn n PHE 58 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1ubn s GLN 59 N -2.27 2.61 -0.37 -1.08 0.74 -1.14 -3.81 119.66 114.33 1ubn s GLN 59 Ca 0.49 -0.84 -0.01 0.00 0.05 0.00 0.00 55.36 55.05 1ubn s GLN 59 Cb 0.35 -2.49 0.10 0.00 1.10 0.00 0.00 33.01 32.06 1ubn s GLN 59 CO 0.18 -0.29 0.13 0.34 -0.55 0.00 0.00 175.29 175.10 1ubn s ASP 60 N 1.32 5.08 0.00 6.67 2.15 -1.26 -4.62 116.67 126.01 1ubn s ASP 60 Ca 0.02 -1.95 0.27 0.00 0.43 0.00 0.00 52.55 51.33 1ubn s ASP 60 Cb -0.14 -1.76 0.96 0.00 -0.30 0.00 0.00 42.92 41.67 1ubn s ASP 60 CO -0.11 -0.46 1.69 0.59 -0.17 0.00 0.00 175.17 176.71 1ubn n ASN 61 N 4.51 0.96 -0.11 -0.34 3.02 -1.26 -4.10 115.26 117.94 1ubn n ASN 61 Ca -0.02 -0.93 -0.13 0.00 -0.03 0.00 0.00 54.58 53.46 1ubn n ASN 61 Cb 0.42 0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.51 1ubn n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ubn n ASN 62 N -0.57 1.23 0.00 6.41 2.85 -1.26 -4.86 115.26 119.06 1ubn n ASN 62 Ca 0.14 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1ubn n ASN 62 Cb 0.33 0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.62 1ubn n ASN 62 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1ubn n SER 63 N -2.97 0.00 -0.10 1.20 7.64 -1.26 -4.96 113.62 113.17 1ubn n SER 63 Ca -0.37 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.45 1ubn n SER 63 Cb 1.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 1ubn n SER 63 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1ubn h HIS 64 N 0.00 -0.28 -0.89 1.43 6.17 -1.93 -2.60 115.15 117.05 1ubn h HIS 64 Ca 0.00 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.14 1ubn h HIS 64 Cb 0.00 0.18 -0.05 0.00 2.52 0.00 0.00 27.41 30.06 1ubn h HIS 64 CO 0.00 -0.19 0.58 0.78 0.71 0.00 0.00 177.93 179.81 1ubn h GLY 65 N -0.05 1.29 1.96 5.26 0.00 -1.85 -1.62 103.07 108.07 1ubn h GLY 65 Ca 0.17 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1ubn h GLY 65 CO -0.39 0.39 -0.43 -0.84 0.00 0.00 0.00 176.54 175.27 1ubn h THR 66 N 1.14 1.31 -0.02 4.70 2.02 -1.49 0.33 112.91 120.90 1ubn h THR 66 Ca 0.35 -1.50 -0.10 0.00 0.77 0.00 0.00 66.41 65.93 1ubn h THR 66 Cb -0.02 1.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1ubn h THR 66 CO -0.11 0.43 -0.38 -0.74 0.37 0.00 0.00 175.52 175.09 1ubn h HIS 67 N 0.04 0.43 -0.27 3.16 6.17 -1.02 -2.22 115.15 121.44 1ubn h HIS 67 Ca -0.00 -0.22 -0.02 0.00 0.71 0.00 0.00 60.37 60.85 1ubn h HIS 67 Cb 0.78 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.64 1ubn h HIS 67 CO 0.00 1.00 0.11 0.28 0.71 0.00 0.00 177.93 180.03 1ubn h VAL 68 N -0.26 1.18 -0.96 5.26 2.07 -1.15 -2.68 116.25 119.70 1ubn h VAL 68 Ca -0.04 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.02 1ubn h VAL 68 Cb 1.09 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 1ubn h VAL 68 CO 0.08 0.18 0.62 0.00 0.02 0.00 0.00 177.57 178.47 1ubn h ALA 69 N 0.95 1.51 -0.49 1.67 0.00 -0.95 -2.66 119.26 119.29 1ubn h ALA 69 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ubn h ALA 69 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ubn h ALA 69 CO -0.01 0.30 0.10 0.78 0.00 0.00 0.00 179.25 180.42 1ubn h GLY 70 N 1.03 0.82 1.22 0.00 0.00 -1.06 -0.34 103.07 104.74 1ubn h GLY 70 Ca 0.44 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1ubn h GLY 70 CO -0.20 0.44 -0.18 -0.84 0.00 0.00 0.00 176.54 175.77 1ubn h THR 71 N 0.73 1.27 0.17 4.70 2.02 -1.34 -0.44 112.91 120.02 1ubn h THR 71 Ca 0.16 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1ubn h THR 71 Cb 0.30 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1ubn h THR 71 CO 0.00 0.45 -0.08 0.58 0.37 0.00 0.00 175.52 176.84 1ubn h VAL 72 N 0.79 0.96 -0.25 3.16 2.07 -1.11 -1.20 116.25 120.66 1ubn h VAL 72 Ca 0.11 -0.85 -0.21 0.00 0.82 0.00 0.00 66.70 66.57 1ubn h VAL 72 Cb 0.72 1.45 -0.34 0.00 -1.52 0.00 0.00 31.29 31.61 1ubn h VAL 72 CO 0.06 0.19 -0.91 0.00 0.02 0.00 0.00 177.57 176.93 1ubn n ALA 73 N -2.43 2.66 -1.73 1.67 0.00 -0.19 -0.83 120.51 119.66 1ubn n ALA 73 Ca -0.09 -2.25 -0.42 0.00 0.00 0.00 0.00 53.44 50.68 1ubn n ALA 73 Cb 0.25 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 1ubn n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ubn n ALA 74 N -0.54 1.87 -1.77 0.00 0.00 -0.17 -4.68 120.51 115.21 1ubn n ALA 74 Ca 0.00 0.36 -0.37 0.00 0.00 0.00 0.00 53.44 53.44 1ubn n ALA 74 Cb 0.87 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.96 1ubn n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ubn s LEU 75 N -1.13 3.95 -0.40 0.00 1.43 -0.37 -1.67 118.68 120.49 1ubn s LEU 75 Ca 0.58 2.26 -0.28 0.00 -1.03 0.00 0.00 54.13 55.67 1ubn s LEU 75 Cb -0.53 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 41.38 1ubn s LEU 75 CO 0.59 -0.98 1.03 0.21 0.23 0.00 0.00 176.35 177.43 1ubn s ASN 76 N -1.47 6.71 0.00 2.29 2.47 -1.26 -4.59 114.94 119.09 1ubn s ASN 76 Ca 0.66 0.61 0.00 0.00 0.42 0.00 0.00 52.86 54.55 1ubn s ASN 76 Cb -0.27 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.02 1ubn s ASN 76 CO 0.32 -1.01 0.00 -0.46 -3.72 0.00 0.00 177.10 172.23 1ubn n ASN 77 N 7.19 0.00 -1.12 -4.21 0.23 -1.26 -5.05 115.26 111.03 1ubn n ASN 77 Ca 0.10 -0.15 0.10 0.00 -0.53 0.00 0.00 54.58 54.10 1ubn n ASN 77 Cb 0.48 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.45 1ubn n ASN 77 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1ubn n SER 78 N -0.08 3.26 -4.10 0.53 7.64 -1.26 -4.63 113.62 114.98 1ubn n SER 78 Ca 0.00 -2.02 -0.13 0.00 1.01 0.00 0.00 58.87 57.73 1ubn n SER 78 Cb 0.00 -0.41 -0.11 0.00 -1.01 0.00 0.00 64.21 62.68 1ubn n SER 78 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1ubn s ILE 79 N -1.23 0.61 0.00 0.44 -4.36 -1.26 -0.59 121.20 114.82 1ubn s ILE 79 Ca 0.40 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 59.48 1ubn s ILE 79 Cb 0.21 -0.91 0.00 0.00 1.25 0.00 0.00 42.46 43.01 1ubn s ILE 79 CO 0.27 -0.50 0.00 0.61 0.24 0.00 0.00 174.94 175.56 1ubn n GLY 80 N 1.06 3.55 0.26 6.27 0.00 -1.20 -4.64 105.19 110.49 1ubn n GLY 80 Ca -0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1ubn n GLY 80 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ubn n VAL 81 N 0.00 0.00 -4.12 1.61 0.24 -1.26 -0.75 118.33 114.05 1ubn n VAL 81 Ca 0.00 -0.15 -0.18 0.00 -2.04 0.00 0.00 64.34 61.97 1ubn n VAL 81 Cb 0.00 -0.37 -0.16 0.00 -1.47 0.00 0.00 33.84 31.84 1ubn n VAL 81 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1ubn s LEU 82 N 0.00 1.48 0.70 1.34 2.96 -1.22 -4.55 118.68 119.39 1ubn s LEU 82 Ca 0.02 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1ubn s LEU 82 Cb -0.00 -0.35 0.06 0.00 0.50 0.00 0.00 46.19 46.40 1ubn s LEU 82 CO 0.01 -0.03 1.01 -0.83 -1.32 0.00 0.00 176.35 175.19 1ubn s GLY 83 N 0.64 1.69 0.20 7.98 0.00 -0.67 -4.59 107.32 112.58 1ubn s GLY 83 Ca -0.08 -0.93 -0.06 0.00 0.00 0.00 0.00 44.72 43.65 1ubn s GLY 83 CO -0.00 -0.53 1.64 -2.08 0.00 0.00 0.00 173.10 172.12 1ubn h VAL 84 N -0.58 1.27 -2.41 1.40 2.07 -0.92 -3.34 116.25 113.73 1ubn h VAL 84 Ca -0.44 -1.26 -0.59 0.00 0.82 0.00 0.00 66.70 65.22 1ubn h VAL 84 Cb 1.32 1.06 -0.40 0.00 -1.52 0.00 0.00 31.29 31.74 1ubn h VAL 84 CO 0.60 0.43 -0.81 0.00 0.02 0.00 0.00 177.57 177.82 1ubn n ALA 85 N -2.50 3.21 0.32 1.67 0.00 -0.01 -4.90 120.51 118.31 1ubn n ALA 85 Ca 0.01 -3.97 0.04 0.00 0.00 0.00 0.00 53.44 49.53 1ubn n ALA 85 Cb 0.40 -0.87 0.20 0.00 0.00 0.00 0.00 19.45 19.17 1ubn n ALA 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ubn n PRO 86 N 1.75 0.02 -0.21 0.00 -0.04 -1.08 -1.93 135.00 133.50 1ubn n PRO 86 Ca 0.25 0.33 0.07 0.00 -0.04 0.00 0.00 63.50 64.11 1ubn n PRO 86 Cb 0.44 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.59 1ubn n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ubn n SER 87 N -1.47 3.14 -4.76 3.54 7.64 -0.40 -4.62 113.62 116.70 1ubn n SER 87 Ca 0.02 -1.98 -0.35 0.00 1.01 0.00 0.00 58.87 57.58 1ubn n SER 87 Cb 0.10 -0.28 0.04 0.00 -1.01 0.00 0.00 64.21 63.06 1ubn n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ubn s ALA 88 N -1.01 2.50 -0.28 -0.43 0.00 -0.81 -3.79 121.76 117.93 1ubn s ALA 88 Ca 0.29 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.87 1ubn s ALA 88 Cb 0.15 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1ubn s ALA 88 CO 0.20 -1.21 0.81 -1.12 0.00 0.00 0.00 175.76 174.45 1ubn s SER 89 N -1.90 6.73 -0.21 0.00 0.01 0.90 -4.93 113.70 114.31 1ubn s SER 89 Ca 0.74 0.81 -0.17 0.00 1.31 0.00 0.00 55.95 58.63 1ubn s SER 89 Cb -0.27 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1ubn s SER 89 CO 0.35 -0.59 0.47 -0.22 0.41 0.00 0.00 173.24 173.67 1ubn s LEU 90 N 2.94 4.13 -0.14 2.44 2.96 -1.26 -0.69 118.68 129.07 1ubn s LEU 90 Ca 0.34 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 1ubn s LEU 90 Cb -0.14 -2.63 0.01 0.00 0.50 0.00 0.00 46.19 43.93 1ubn s LEU 90 CO 0.11 -0.16 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.47 1ubn s TYR 91 N 1.63 2.49 -0.53 5.38 1.51 -0.14 -0.68 117.35 127.01 1ubn s TYR 91 Ca 0.22 -1.27 -0.25 0.00 -1.01 0.00 0.00 57.07 54.75 1ubn s TYR 91 Cb -0.15 -1.72 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1ubn s TYR 91 CO 0.09 -0.61 0.98 0.00 -1.11 0.00 0.00 175.55 174.91 1ubn s ALA 92 N 0.94 3.15 -0.47 3.71 0.00 -0.12 -1.14 121.76 127.83 1ubn s ALA 92 Ca -0.05 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1ubn s ALA 92 Cb -0.15 -3.76 0.10 0.00 0.00 0.00 0.00 23.12 19.31 1ubn s ALA 92 CO -0.03 -2.34 0.35 0.08 0.00 0.00 0.00 175.76 173.81 1ubn s VAL 93 N 4.06 4.50 -0.45 0.00 1.01 -0.77 -1.67 120.40 127.09 1ubn s VAL 93 Ca 0.34 -1.53 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 1ubn s VAL 93 Cb -0.11 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1ubn s VAL 93 CO 0.22 -0.68 1.06 -0.75 0.00 0.00 0.00 175.10 174.95 1ubn s LYS 94 N 1.45 3.71 0.00 2.72 2.20 -0.52 -1.54 119.74 127.75 1ubn s LYS 94 Ca 0.04 0.49 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 1ubn s LYS 94 Cb -0.26 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.17 1ubn s LYS 94 CO 0.02 -1.27 0.29 1.33 -0.36 0.00 0.00 175.35 175.36 1ubn n VAL 95 N 6.59 0.00 -4.83 4.02 0.24 0.82 -0.34 118.33 124.82 1ubn n VAL 95 Ca 0.10 -0.47 -0.26 0.00 -2.04 0.00 0.00 64.34 61.67 1ubn n VAL 95 Cb 0.49 1.02 -0.15 0.00 -1.47 0.00 0.00 33.84 33.73 1ubn n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ubn s LEU 96 N -1.32 2.10 0.88 1.34 1.43 -0.90 -4.51 118.68 117.70 1ubn s LEU 96 Ca 0.02 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 1ubn s LEU 96 Cb 0.02 -1.02 0.15 0.00 0.03 0.00 0.00 46.19 45.37 1ubn s LEU 96 CO 0.07 0.21 1.23 -0.83 0.23 0.00 0.00 176.35 177.26 1ubn s GLY 97 N -0.81 1.71 0.58 -3.19 0.00 -0.16 -4.46 107.32 101.00 1ubn s GLY 97 Ca 0.08 -1.05 0.36 0.00 0.00 0.00 0.00 44.72 44.11 1ubn s GLY 97 CO 0.00 -0.41 2.09 0.00 0.00 0.00 0.00 173.10 174.79 1ubn h ALA 98 N -1.30 1.08 -0.53 3.20 0.00 -1.89 0.83 119.26 120.65 1ubn h ALA 98 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ubn h ALA 98 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ubn h ALA 98 CO 0.49 -0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.26 1ubn n ASP 99 N -2.83 3.91 -1.24 0.00 5.75 -1.26 -4.14 116.55 116.74 1ubn n ASP 99 Ca -0.02 -2.34 -0.16 0.00 -0.01 0.00 0.00 54.79 52.26 1ubn n ASP 99 Cb 0.14 -0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 39.65 1ubn n ASP 99 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ubn n GLY 100 N 1.00 1.47 3.67 6.12 0.00 0.29 -5.01 105.19 112.73 1ubn n GLY 100 Ca 0.21 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1ubn n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ubn s SER 101 N -2.80 4.83 -0.11 1.61 1.04 -1.25 -4.82 113.70 112.20 1ubn s SER 101 Ca 0.00 -0.32 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 1ubn s SER 101 Cb 0.00 -1.06 0.04 0.00 0.10 0.00 0.00 66.02 65.10 1ubn s SER 101 CO 0.00 0.12 0.41 -0.83 0.98 0.00 0.00 173.24 173.92 1ubn s GLY 102 N -2.69 -0.29 0.06 7.32 0.00 -1.26 -0.99 107.32 109.48 1ubn s GLY 102 Ca 0.26 0.95 -0.20 0.00 0.00 0.00 0.00 44.72 45.74 1ubn s GLY 102 CO 0.18 0.76 0.58 1.20 0.00 0.00 0.00 173.10 175.82 1ubn s GLN 103 N -0.30 4.24 0.47 2.90 -0.21 -1.26 -4.97 119.66 120.52 1ubn s GLN 103 Ca -0.05 0.76 0.19 0.00 0.02 0.00 0.00 55.36 56.28 1ubn s GLN 103 Cb -0.03 -3.26 1.17 0.00 1.00 0.00 0.00 33.01 31.89 1ubn s GLN 103 CO 0.02 0.59 1.97 1.88 -2.12 0.00 0.00 175.29 177.63 1ubn h TYR 104 N 4.71 0.29 0.00 0.91 -1.99 -1.99 0.15 116.97 119.05 1ubn h TYR 104 Ca -0.49 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.20 1ubn h TYR 104 Cb 1.21 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.84 1ubn h TYR 104 CO 0.67 0.12 -0.22 0.66 -0.00 0.00 0.00 178.16 179.39 1ubn h SER 105 N 0.26 0.00 -0.06 3.88 4.64 -1.98 0.45 113.55 120.73 1ubn h SER 105 Ca 0.29 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.44 1ubn h SER 105 Cb 0.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1ubn h SER 105 CO -0.06 0.22 -0.57 -0.50 -0.87 0.00 0.00 176.83 175.05 1ubn h TRP 106 N 0.00 0.82 -0.00 4.77 6.55 -1.02 -1.70 115.95 125.38 1ubn h TRP 106 Ca -0.00 -0.30 -0.00 0.00 0.95 0.00 0.00 58.89 59.54 1ubn h TRP 106 Cb 0.70 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 28.85 1ubn h TRP 106 CO 0.00 1.07 0.00 0.82 -1.05 0.00 0.00 178.44 179.28 1ubn h ILE 107 N 0.50 1.23 -0.98 1.49 2.04 -1.15 -0.28 117.51 120.36 1ubn h ILE 107 Ca 0.00 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.23 1ubn h ILE 107 Cb 1.14 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.86 1ubn h ILE 107 CO 0.11 0.18 0.64 0.40 0.00 0.00 0.00 178.15 179.48 1ubn h ILE 108 N -0.29 1.13 -0.10 -0.67 2.04 -0.96 -1.26 117.51 117.39 1ubn h ILE 108 Ca 0.00 -0.41 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 1ubn h ILE 108 Cb 0.29 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1ubn h ILE 108 CO 0.00 0.22 -0.47 0.78 0.00 0.00 0.00 178.15 178.68 1ubn h ASN 109 N 1.20 0.26 -0.00 1.72 2.35 -1.07 -0.98 115.58 119.06 1ubn h ASN 109 Ca 0.41 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1ubn h ASN 109 Cb 0.08 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1ubn h ASN 109 CO -0.15 0.69 0.00 1.23 -1.65 0.00 0.00 177.43 177.56 1ubn h GLY 110 N 1.29 0.00 1.00 2.83 0.00 -0.38 -1.40 103.07 106.42 1ubn h GLY 110 Ca 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1ubn h GLY 110 CO 0.07 0.00 0.27 -2.22 0.00 0.00 0.00 176.54 174.67 1ubn h ILE 111 N -0.02 1.22 -0.29 2.60 2.04 -0.90 -1.74 117.51 120.43 1ubn h ILE 111 Ca 0.00 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1ubn h ILE 111 Cb 0.02 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1ubn h ILE 111 CO -0.00 0.26 0.18 -0.33 0.00 0.00 0.00 178.15 178.26 1ubn h GLU 112 N 0.84 0.35 -0.51 2.37 4.39 -1.10 -1.06 114.58 119.87 1ubn h GLU 112 Ca 0.21 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.97 1ubn h GLU 112 Cb 0.15 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.66 1ubn h GLU 112 CO -0.02 0.23 0.12 2.35 -1.16 0.00 0.00 179.01 180.53 1ubn h TRP 113 N 0.37 0.20 -0.79 4.33 7.01 -0.92 -1.25 115.95 124.89 1ubn h TRP 113 Ca 0.11 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1ubn h TRP 113 Cb -0.02 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 1ubn h TRP 113 CO -0.07 0.01 0.52 0.00 -2.79 0.00 0.00 178.44 176.11 1ubn h ALA 114 N 1.39 1.01 0.01 2.65 0.00 -0.38 -1.67 119.26 122.27 1ubn h ALA 114 Ca 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ubn h ALA 114 Cb 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ubn h ALA 114 CO -0.32 0.43 -0.00 0.82 0.00 0.00 0.00 179.25 180.18 1ubn h ILE 115 N 1.08 1.11 -0.26 0.00 2.04 -0.73 -1.13 117.51 119.61 1ubn h ILE 115 Ca 0.29 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1ubn h ILE 115 Cb -0.11 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1ubn h ILE 115 CO -0.06 0.09 0.18 0.00 0.00 0.00 0.00 178.15 178.36 1ubn h ALA 116 N 0.82 1.93 -0.69 1.87 0.00 -0.89 -2.20 119.26 120.09 1ubn h ALA 116 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ubn h ALA 116 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ubn h ALA 116 CO 0.00 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1ubn n ASN 117 N -4.50 4.11 -3.40 0.00 3.02 -0.66 -4.97 115.26 108.87 1ubn n ASN 117 Ca 0.02 -2.14 -0.17 0.00 -0.03 0.00 0.00 54.58 52.26 1ubn n ASN 117 Cb 0.15 -0.51 0.09 0.00 -0.61 0.00 0.00 39.78 38.90 1ubn n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ubn n ASN 118 N 1.44 -2.25 -4.78 6.41 3.02 -0.83 -4.98 115.26 113.30 1ubn n ASN 118 Ca 0.24 -0.62 -0.36 0.00 -0.03 0.00 0.00 54.58 53.82 1ubn n ASN 118 Cb 0.69 -5.09 -0.01 0.00 -0.61 0.00 0.00 39.78 34.76 1ubn n ASN 118 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ubn s MET 119 N -5.30 3.72 -0.08 3.52 -1.94 -0.46 -4.91 119.30 113.85 1ubn s MET 119 Ca 0.02 1.64 0.07 0.00 -1.71 0.00 0.00 55.69 55.70 1ubn s MET 119 Cb -0.00 -2.28 -0.24 0.00 2.01 0.00 0.00 34.83 34.32 1ubn s MET 119 CO 0.72 -0.55 0.53 -0.25 -0.01 0.00 0.00 175.02 175.46 1ubn n ASP 120 N -0.70 1.25 -4.02 3.03 8.00 0.31 -4.73 116.55 119.69 1ubn n ASP 120 Ca 0.08 0.32 -0.16 0.00 0.71 0.00 0.00 54.79 55.74 1ubn n ASP 120 Cb 0.50 -0.27 -0.14 0.00 -0.02 0.00 0.00 41.12 41.19 1ubn n ASP 120 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ubn s VAL 121 N -2.58 0.60 -0.10 2.53 1.01 -0.74 -1.55 120.40 119.57 1ubn s VAL 121 Ca -0.11 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1ubn s VAL 121 Cb 0.07 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1ubn s VAL 121 CO 0.80 -0.00 -0.18 -0.63 0.00 0.00 0.00 175.10 175.09 1ubn s ILE 122 N -0.54 1.66 -0.22 2.22 1.01 -0.12 -0.89 121.20 124.32 1ubn s ILE 122 Ca -0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1ubn s ILE 122 Cb -0.05 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1ubn s ILE 122 CO 0.00 0.47 -0.00 0.21 0.00 0.00 0.00 174.94 175.62 1ubn s ASN 123 N 0.68 4.66 -0.64 3.58 2.47 -0.02 -1.38 114.94 124.31 1ubn s ASN 123 Ca -0.12 -0.29 -0.02 0.00 0.42 0.00 0.00 52.86 52.85 1ubn s ASN 123 Cb -0.16 -1.81 0.16 0.00 -1.45 0.00 0.00 41.25 37.99 1ubn s ASN 123 CO 0.03 0.01 0.45 -0.04 -3.72 0.00 0.00 177.10 173.82 1ubn s MET 124 N 1.34 2.56 -1.45 0.43 -1.94 -0.17 -1.95 119.30 118.11 1ubn s MET 124 Ca 0.04 -2.62 -0.09 0.00 -1.71 0.00 0.00 55.69 51.31 1ubn s MET 124 Cb -0.15 -3.70 0.04 0.00 2.01 0.00 0.00 34.83 33.03 1ubn s MET 124 CO 0.00 -1.18 2.47 0.43 -0.01 0.00 0.00 175.02 176.74 1ubn n SER 125 N 3.32 6.92 -3.44 3.03 7.64 -1.26 -2.09 113.62 127.74 1ubn n SER 125 Ca 0.09 -2.87 -0.12 0.00 1.01 0.00 0.00 58.87 56.97 1ubn n SER 125 Cb 0.37 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.03 1ubn n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1ubn s LEU 126 N -0.08 -0.55 -0.23 -3.43 0.05 -1.26 -4.91 118.68 108.27 1ubn s LEU 126 Ca 0.56 0.07 -0.28 0.00 0.05 0.00 0.00 54.13 54.52 1ubn s LEU 126 Cb 0.16 2.50 0.15 0.00 -2.05 0.00 0.00 46.19 46.95 1ubn s LEU 126 CO -0.06 -0.88 1.16 -0.83 -0.55 0.00 0.00 176.35 175.19 1ubn s GLY 127 N -2.54 -0.07 0.19 -3.48 0.00 -1.26 -4.39 107.32 95.76 1ubn s GLY 127 Ca 0.00 2.53 0.08 0.00 0.00 0.00 0.00 44.72 47.34 1ubn s GLY 127 CO -0.10 1.28 -0.16 -0.32 0.00 0.00 0.00 173.10 173.79 1ubn s GLY 128 N -0.76 1.42 0.28 0.20 0.00 -0.48 -4.87 107.32 103.11 1ubn s GLY 128 Ca 0.03 -1.58 0.25 0.00 0.00 0.00 0.00 44.72 43.41 1ubn s GLY 128 CO -0.04 -1.66 1.74 -0.56 0.00 0.00 0.00 173.10 172.58 1ubn h PRO 129 N 2.87 0.00 -6.33 2.90 0.13 -1.95 0.29 132.00 129.91 1ubn h PRO 129 Ca -0.40 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.13 1ubn h PRO 129 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1ubn h PRO 129 CO 0.57 0.00 -0.67 -1.12 -0.23 0.00 0.00 178.00 176.55 1ubn s SER 130 N -4.43 4.64 0.18 1.44 0.01 -1.26 -4.80 113.70 109.48 1ubn s SER 130 Ca 0.05 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1ubn s SER 130 Cb 0.10 -0.93 -0.00 0.00 0.21 0.00 0.00 66.02 65.39 1ubn s SER 130 CO 0.44 0.07 0.01 0.61 0.41 0.00 0.00 173.24 174.79 1ubn n GLY 131 N -0.24 3.92 3.44 3.44 0.00 -1.26 -4.43 105.19 110.06 1ubn n GLY 131 Ca -0.09 -2.20 -0.15 0.00 0.00 0.00 0.00 46.02 43.58 1ubn n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ubn s SER 132 N -2.01 -0.54 0.35 1.61 1.04 -1.26 -5.03 113.70 107.86 1ubn s SER 132 Ca 0.02 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.31 1ubn s SER 132 Cb 0.00 0.83 0.64 0.00 0.10 0.00 0.00 66.02 67.59 1ubn s SER 132 CO 0.01 -0.36 1.97 0.00 0.98 0.00 0.00 173.24 175.85 1ubn h ALA 133 N 4.37 1.50 -0.86 5.32 0.00 -2.02 -0.25 119.26 127.32 1ubn h ALA 133 Ca -0.28 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.62 1ubn h ALA 133 Cb 1.16 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1ubn h ALA 133 CO 0.26 0.41 0.56 0.00 0.00 0.00 0.00 179.25 180.48 1ubn h ALA 134 N 1.58 1.61 -0.01 0.00 0.00 -1.98 0.41 119.26 120.86 1ubn h ALA 134 Ca 0.19 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ubn h ALA 134 Cb 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ubn h ALA 134 CO -0.03 0.25 -0.36 1.25 0.00 0.00 0.00 179.25 180.36 1ubn h LEU 135 N 0.91 0.33 -0.59 0.00 5.85 -1.49 -1.18 115.31 119.13 1ubn h LEU 135 Ca 0.38 -0.76 0.05 0.00 0.84 0.00 0.00 57.88 58.39 1ubn h LEU 135 Cb 0.30 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1ubn h LEU 135 CO -0.15 1.04 0.32 0.50 -0.34 0.00 0.00 178.44 179.82 1ubn h LYS 136 N -0.36 0.59 -0.31 1.25 3.64 -1.21 -2.24 116.57 117.94 1ubn h LYS 136 Ca -0.04 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1ubn h LYS 136 Cb 1.09 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1ubn h LYS 136 CO 0.07 0.39 0.16 0.00 -2.27 0.00 0.00 179.45 177.80 1ubn h ALA 137 N 1.31 0.38 -0.16 5.00 0.00 -0.74 -0.46 119.26 124.59 1ubn h ALA 137 Ca 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ubn h ALA 137 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ubn h ALA 137 CO -0.16 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 178.96 1ubn h ALA 138 N 1.16 0.21 -0.41 0.00 0.00 -1.13 -1.16 119.26 117.93 1ubn h ALA 138 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ubn h ALA 138 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ubn h ALA 138 CO -0.09 -0.29 0.18 -0.24 0.00 0.00 0.00 179.25 178.82 1ubn h VAL 139 N 0.19 1.18 -0.32 0.00 3.04 -1.11 -1.71 116.25 117.53 1ubn h VAL 139 Ca 0.06 -0.54 -0.06 0.00 -1.01 0.00 0.00 66.70 65.15 1ubn h VAL 139 Cb 0.02 0.78 -0.02 0.00 -2.01 0.00 0.00 31.29 30.07 1ubn h VAL 139 CO -0.01 0.20 -0.07 0.44 -1.01 0.00 0.00 177.57 177.12 1ubn h ASP 140 N 0.51 0.50 -0.44 3.17 5.19 -1.09 -2.22 116.42 122.04 1ubn h ASP 140 Ca 0.14 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1ubn h ASP 140 Cb 0.14 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1ubn h ASP 140 CO -0.02 0.62 0.14 0.50 -3.12 0.00 0.00 179.24 177.37 1ubn h LYS 141 N 0.49 0.68 -0.43 3.56 3.64 -0.84 -1.43 116.57 122.25 1ubn h LYS 141 Ca 0.10 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1ubn h LYS 141 Cb 0.43 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1ubn h LYS 141 CO 0.02 0.66 0.28 0.00 -2.27 0.00 0.00 179.45 178.14 1ubn h ALA 142 N 0.99 0.54 -0.35 5.00 0.00 -0.97 0.15 119.26 124.62 1ubn h ALA 142 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ubn h ALA 142 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ubn h ALA 142 CO -0.00 -0.02 -0.22 0.28 0.00 0.00 0.00 179.25 179.29 1ubn h VAL 143 N 0.56 1.29 -0.81 0.00 2.07 -1.36 -1.85 116.25 116.15 1ubn h VAL 143 Ca 0.16 -1.36 0.08 0.00 0.82 0.00 0.00 66.70 66.41 1ubn h VAL 143 Cb -0.05 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 1ubn h VAL 143 CO -0.04 0.44 0.47 0.00 0.02 0.00 0.00 177.57 178.46 1ubn h ALA 144 N 0.77 1.13 0.00 1.67 0.00 -1.05 -0.59 119.26 121.20 1ubn h ALA 144 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ubn h ALA 144 Cb 0.77 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ubn h ALA 144 CO 0.06 0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.87 1ubn n SER 145 N -4.72 0.00 0.00 0.00 7.64 0.52 -4.88 113.62 112.18 1ubn n SER 145 Ca 0.12 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1ubn n SER 145 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1ubn n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ubn n GLY 146 N 0.22 0.68 3.84 0.23 0.00 -0.23 -5.05 105.19 104.88 1ubn n GLY 146 Ca 0.08 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1ubn n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubn s VAL 147 N -2.00 4.99 -0.20 1.61 1.01 -0.74 -4.21 120.40 120.86 1ubn s VAL 147 Ca 0.00 0.82 -0.26 0.00 0.00 0.00 0.00 61.98 62.53 1ubn s VAL 147 Cb 0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1ubn s VAL 147 CO 0.00 0.49 0.89 -0.69 0.00 0.00 0.00 175.10 175.79 1ubn s VAL 148 N -1.18 4.82 -0.15 2.92 1.01 -0.60 -4.24 120.40 122.98 1ubn s VAL 148 Ca 0.27 1.73 -0.00 0.00 0.00 0.00 0.00 61.98 63.98 1ubn s VAL 148 Cb -0.16 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 1ubn s VAL 148 CO 0.15 -0.04 -0.14 -0.69 0.00 0.00 0.00 175.10 174.38 1ubn s VAL 149 N 2.54 2.76 -0.02 2.92 1.01 -1.26 -0.94 120.40 127.40 1ubn s VAL 149 Ca 0.39 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1ubn s VAL 149 Cb -0.16 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1ubn s VAL 149 CO 0.10 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.82 1ubn s VAL 150 N 0.77 1.64 -0.01 2.92 1.01 -0.48 -1.84 120.40 124.41 1ubn s VAL 150 Ca -0.06 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1ubn s VAL 150 Cb -0.15 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1ubn s VAL 150 CO 0.01 0.46 0.21 0.00 0.00 0.00 0.00 175.10 175.78 1ubn s ALA 151 N -0.39 -0.52 0.31 5.51 0.00 -0.41 -1.00 121.76 125.27 1ubn s ALA 151 Ca 0.06 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 1ubn s ALA 151 Cb -0.09 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 22.97 1ubn s ALA 151 CO -0.00 -0.22 1.56 0.00 0.00 0.00 0.00 175.76 177.10 1ubn s ALA 152 N -1.23 3.70 0.22 0.00 0.00 -0.89 -1.43 121.76 122.14 1ubn s ALA 152 Ca -0.13 1.57 0.18 0.00 0.00 0.00 0.00 51.96 53.58 1ubn s ALA 152 Cb -0.06 -3.64 0.72 0.00 0.00 0.00 0.00 23.12 20.15 1ubn s ALA 152 CO 0.02 -1.00 1.76 0.00 0.00 0.00 0.00 175.76 176.55 1ubn h ALA 153 N 4.35 1.06 0.00 0.00 0.00 -1.49 -3.39 119.26 119.79 1ubn h ALA 153 Ca -0.48 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1ubn h ALA 153 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ubn h ALA 153 CO 0.75 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.88 1ubn n GLY 154 N 0.08 3.40 2.21 0.00 0.00 -1.26 -1.00 105.19 108.62 1ubn n GLY 154 Ca -0.01 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 1ubn n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ubn n ASN 155 N 0.00 5.09 -0.60 1.61 3.02 -1.26 -0.79 115.26 122.33 1ubn n ASN 155 Ca 0.00 -3.75 0.13 0.00 -0.03 0.00 0.00 54.58 50.93 1ubn n ASN 155 Cb 0.00 -0.44 0.26 0.00 -0.61 0.00 0.00 39.78 39.00 1ubn n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ubn n GLU 156 N -0.64 1.65 0.00 3.52 -0.58 -0.82 -4.75 120.64 119.02 1ubn n GLU 156 Ca 0.44 -1.20 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 1ubn n GLU 156 Cb 0.83 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1ubn n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ubn n GLY 157 N 1.31 0.48 3.75 0.62 0.00 0.97 -4.80 105.19 107.51 1ubn n GLY 157 Ca 0.14 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1ubn n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ubn s THR 158 N 0.00 4.60 -0.55 2.61 -4.23 -1.26 -3.33 115.64 113.48 1ubn s THR 158 Ca 0.00 -0.30 0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1ubn s THR 158 Cb 0.00 -3.03 0.23 0.00 1.34 0.00 0.00 72.50 71.04 1ubn s THR 158 CO 0.00 0.48 0.59 -0.24 -0.54 0.00 0.00 174.62 174.91 1ubn n SER 159 N 1.65 2.05 0.00 3.99 2.88 -1.26 -5.05 113.62 117.88 1ubn n SER 159 Ca -0.16 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 1ubn n SER 159 Cb 0.53 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1ubn n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ubn n GLY 160 N 1.42 1.52 0.44 0.46 0.00 -1.26 -0.62 105.19 107.15 1ubn n GLY 160 Ca 0.26 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.74 1ubn n GLY 160 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ubn n SER 161 N 10.77 2.72 -4.73 1.61 3.41 -1.26 -4.98 113.62 121.17 1ubn n SER 161 Ca 0.00 -2.20 -0.41 0.00 -0.26 0.00 0.00 58.87 56.00 1ubn n SER 161 Cb 0.00 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 1ubn n SER 161 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ubn s SER 162 N -1.24 7.20 0.27 4.04 0.01 0.21 -5.02 113.70 119.16 1ubn s SER 162 Ca 0.19 2.09 -0.29 0.00 1.31 0.00 0.00 55.95 59.24 1ubn s SER 162 Cb 0.12 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 1ubn s SER 162 CO 0.09 -0.30 1.29 -0.55 0.41 0.00 0.00 173.24 174.19 1ubn s SER 163 N 0.19 6.88 -0.10 2.44 0.15 -1.26 -4.21 113.70 117.79 1ubn s SER 163 Ca 0.52 2.52 0.14 0.00 0.70 0.00 0.00 55.95 59.83 1ubn s SER 163 Cb -0.30 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.65 1ubn s SER 163 CO 0.34 -0.49 1.16 0.35 1.20 0.00 0.00 173.24 175.80 1ubn n THR 164 N 1.68 1.72 -2.43 6.45 -2.24 0.89 -4.98 114.28 115.36 1ubn n THR 164 Ca 0.03 -1.89 -0.41 0.00 -2.27 0.00 0.00 64.05 59.51 1ubn n THR 164 Cb 0.42 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 1ubn n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ubn s VAL 165 N -2.39 3.57 0.00 2.28 1.01 -1.24 -4.60 120.40 119.03 1ubn s VAL 165 Ca 0.26 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1ubn s VAL 165 Cb 0.22 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1ubn s VAL 165 CO 0.04 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1ubn n GLY 166 N 1.76 1.62 3.62 4.51 0.00 -0.17 -4.74 105.19 111.80 1ubn n GLY 166 Ca 0.02 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 1ubn n GLY 166 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ubn s TYR 167 N 0.88 3.10 -2.34 1.61 1.51 0.10 -1.48 117.35 120.74 1ubn s TYR 167 Ca 0.00 0.05 0.29 0.00 -1.01 0.00 0.00 57.07 56.40 1ubn s TYR 167 Cb 0.00 -1.83 1.22 0.00 -0.11 0.00 0.00 41.96 41.24 1ubn s TYR 167 CO 0.00 0.32 1.84 -0.35 -1.11 0.00 0.00 175.55 176.25 1ubn n PRO 168 N 2.53 1.46 -0.08 -1.71 -0.04 -1.26 -1.38 135.00 134.52 1ubn n PRO 168 Ca -0.18 -0.72 0.15 0.00 -0.04 0.00 0.00 63.50 62.70 1ubn n PRO 168 Cb 0.53 -1.48 0.55 0.00 -0.04 0.00 0.00 33.50 33.05 1ubn n PRO 168 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ubn h GLY 169 N 4.89 0.47 2.00 0.55 0.00 -1.68 -2.17 103.07 107.14 1ubn h GLY 169 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1ubn h GLY 169 CO 0.00 0.07 -0.05 1.70 0.00 0.00 0.00 176.54 178.25 1ubn h LYS 170 N 0.31 0.00 -6.57 4.80 3.64 -1.55 -3.39 116.57 113.81 1ubn h LYS 170 Ca 0.29 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.14 1ubn h LYS 170 Cb 0.72 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1ubn h LYS 170 CO -0.07 0.05 0.58 0.71 -2.27 0.00 0.00 179.45 178.45 1ubn s TYR 171 N -4.09 3.41 0.33 1.91 2.02 -0.82 -4.93 117.35 115.18 1ubn s TYR 171 Ca -0.03 1.30 0.06 0.00 -0.37 0.00 0.00 57.07 58.04 1ubn s TYR 171 Cb 0.12 -3.46 0.73 0.00 -0.40 0.00 0.00 41.96 38.95 1ubn s TYR 171 CO 0.52 -1.41 1.86 -1.35 -1.57 0.00 0.00 175.55 173.60 1ubn h PRO 172 N 6.14 0.77 0.00 -1.71 0.11 -1.89 -2.65 132.00 132.78 1ubn h PRO 172 Ca -0.43 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ubn h PRO 172 Cb 1.21 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ubn h PRO 172 CO 0.79 0.51 -0.02 0.66 -0.21 0.00 0.00 178.00 179.74 1ubn h SER 173 N 0.80 0.00 -2.73 -2.05 4.64 -1.93 -3.42 113.55 108.86 1ubn h SER 173 Ca 0.46 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 61.12 1ubn h SER 173 Cb 0.63 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.65 1ubn h SER 173 CO -0.23 0.02 -0.47 -0.69 -0.87 0.00 0.00 176.83 174.59 1ubn s VAL 174 N -4.00 5.48 -0.37 0.95 1.01 -1.00 -4.73 120.40 117.74 1ubn s VAL 174 Ca -0.03 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1ubn s VAL 174 Cb 0.12 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1ubn s VAL 174 CO 0.48 0.60 1.10 -0.63 0.00 0.00 0.00 175.10 176.65 1ubn s ILE 175 N -0.86 4.41 -0.26 2.22 1.01 -0.77 -4.79 121.20 122.17 1ubn s ILE 175 Ca 0.14 1.58 -0.12 0.00 0.00 0.00 0.00 60.65 62.25 1ubn s ILE 175 Cb -0.12 -4.47 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 1ubn s ILE 175 CO 0.04 -0.64 0.25 0.00 0.00 0.00 0.00 174.94 174.60 1ubn s ALA 176 N 3.91 3.56 -0.15 9.38 0.00 -1.26 -1.29 121.76 135.90 1ubn s ALA 176 Ca 0.46 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 1ubn s ALA 176 Cb -0.11 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1ubn s ALA 176 CO 0.20 -0.47 -0.04 0.08 0.00 0.00 0.00 175.76 175.52 1ubn s VAL 177 N 1.64 3.81 0.57 0.00 1.01 -0.51 -1.97 120.40 124.95 1ubn s VAL 177 Ca 0.11 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1ubn s VAL 177 Cb -0.15 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.64 1ubn s VAL 177 CO 0.09 0.49 0.79 -0.83 0.00 0.00 0.00 175.10 175.64 1ubn s GLY 178 N 0.38 1.79 -0.11 4.51 0.00 -0.54 -1.30 107.32 112.05 1ubn s GLY 178 Ca -0.05 -1.87 0.03 0.00 0.00 0.00 0.00 44.72 42.83 1ubn s GLY 178 CO 0.03 -1.46 -0.19 0.00 0.00 0.00 0.00 173.10 171.48 1ubn s ALA 179 N -2.72 2.37 0.32 3.20 0.00 -1.26 -2.10 121.76 121.57 1ubn s ALA 179 Ca 0.61 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.72 1ubn s ALA 179 Cb -0.07 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 1ubn s ALA 179 CO 0.39 0.30 -0.07 0.14 0.00 0.00 0.00 175.76 176.52 1ubn s VAL 180 N 0.24 2.51 0.00 0.00 -7.23 -0.91 -1.60 120.40 113.41 1ubn s VAL 180 Ca -0.13 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 57.89 1ubn s VAL 180 Cb -0.16 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1ubn s VAL 180 CO 0.07 -0.25 0.00 -0.90 -0.31 0.00 0.00 175.10 173.70 1ubn n ASP 181 N -0.82 0.00 0.19 4.85 5.68 -0.28 -1.32 116.55 124.84 1ubn n ASP 181 Ca -0.05 -0.38 0.13 0.00 -0.50 0.00 0.00 54.79 53.99 1ubn n ASP 181 Cb 0.62 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.30 1ubn n ASP 181 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1ubn h SER 182 N 0.00 0.00 -0.64 -1.12 0.02 -1.90 -1.98 113.55 107.94 1ubn h SER 182 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1ubn h SER 182 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1ubn h SER 182 CO 0.00 0.00 0.09 -1.54 -1.14 0.00 0.00 176.83 174.24 1ubn n SER 183 N -4.34 5.49 -2.69 3.07 3.41 -1.26 -4.93 113.62 112.37 1ubn n SER 183 Ca 0.01 -3.03 -0.22 0.00 -0.26 0.00 0.00 58.87 55.37 1ubn n SER 183 Cb 0.26 -0.71 0.01 0.00 -0.26 0.00 0.00 64.21 63.51 1ubn n SER 183 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ubn n ASN 184 N 0.38 -6.04 -4.80 4.04 3.02 -0.74 -4.98 115.26 106.13 1ubn n ASN 184 Ca 0.32 -0.14 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 1ubn n ASN 184 Cb 1.27 -4.96 -0.07 0.00 -0.61 0.00 0.00 39.78 35.42 1ubn n ASN 184 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1ubn s GLN 185 N -5.35 3.88 0.26 3.52 2.00 -1.26 -4.85 119.66 117.85 1ubn s GLN 185 Ca 0.14 0.01 -0.30 0.00 -2.00 0.00 0.00 55.36 53.21 1ubn s GLN 185 Cb -0.06 -3.30 -0.11 0.00 0.80 0.00 0.00 33.01 30.34 1ubn s GLN 185 CO 0.17 0.53 1.56 0.50 -0.50 0.00 0.00 175.29 177.56 1ubn s ARG 186 N -0.39 4.17 0.22 1.67 3.52 -1.26 -1.13 118.95 125.76 1ubn s ARG 186 Ca 0.16 2.48 -0.30 0.00 -0.13 0.00 0.00 55.73 57.94 1ubn s ARG 186 Cb -0.13 -3.07 -0.09 0.00 -1.56 0.00 0.00 34.95 30.11 1ubn s ARG 186 CO 0.05 -0.58 1.20 0.00 -0.81 0.00 0.00 175.30 175.16 1ubn s ALA 187 N 0.24 3.45 0.56 6.12 0.00 -0.63 -4.87 121.76 126.63 1ubn s ALA 187 Ca 0.64 0.99 0.30 0.00 0.00 0.00 0.00 51.96 53.89 1ubn s ALA 187 Cb -0.46 -3.41 1.46 0.00 0.00 0.00 0.00 23.12 20.71 1ubn s ALA 187 CO 0.43 -0.38 1.88 0.66 0.00 0.00 0.00 175.76 178.36 1ubn h SER 188 N 4.76 0.00 0.77 0.00 4.64 -1.93 -0.70 113.55 121.10 1ubn h SER 188 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ubn h SER 188 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ubn h SER 188 CO 0.72 0.00 -0.56 2.22 -0.87 0.00 0.00 176.83 178.35 1ubn n PHE 189 N -3.97 0.37 -1.75 4.77 1.16 -1.26 -4.34 117.46 112.43 1ubn n PHE 189 Ca 0.13 0.11 -0.42 0.00 -1.87 0.00 0.00 57.45 55.40 1ubn n PHE 189 Cb 0.82 -0.54 -0.03 0.00 -1.61 0.00 0.00 39.48 38.12 1ubn n PHE 189 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1ubn s SER 190 N -3.82 6.42 0.44 5.98 0.15 -0.27 -0.02 113.70 122.59 1ubn s SER 190 Ca 0.08 2.79 -0.25 0.00 0.70 0.00 0.00 55.95 59.27 1ubn s SER 190 Cb 0.15 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.80 1ubn s SER 190 CO 0.70 -0.97 1.27 -0.44 1.20 0.00 0.00 173.24 175.00 1ubn s SER 191 N 1.81 6.16 0.31 5.45 0.01 0.03 -3.36 113.70 124.10 1ubn s SER 191 Ca 0.77 2.56 0.09 0.00 1.31 0.00 0.00 55.95 60.68 1ubn s SER 191 Cb -0.47 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.08 1ubn s SER 191 CO 0.34 -0.95 -0.01 0.68 0.41 0.00 0.00 173.24 173.71 1ubn s VAL 192 N -1.35 2.89 0.00 3.43 -7.23 -1.21 -4.82 120.40 112.11 1ubn s VAL 192 Ca 0.60 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1ubn s VAL 192 Cb -0.35 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1ubn s VAL 192 CO 0.44 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1ubn n GLY 193 N -0.91 3.17 0.21 2.32 0.00 0.19 -0.08 105.19 110.09 1ubn n GLY 193 Ca -0.05 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.56 1ubn n GLY 193 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ubn h PRO 194 N 0.00 0.00 -0.01 1.61 0.11 -1.87 -2.94 132.00 128.90 1ubn h PRO 194 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ubn h PRO 194 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ubn h PRO 194 CO 0.00 0.00 -0.18 0.39 -0.21 0.00 0.00 178.00 178.00 1ubn n GLU 195 N -2.45 1.10 -2.41 1.05 4.71 -1.26 -4.85 120.64 116.52 1ubn n GLU 195 Ca -0.02 -0.66 -0.43 0.00 -0.01 0.00 0.00 57.16 56.05 1ubn n GLU 195 Cb 0.08 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.00 1ubn n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1ubn s LEU 196 N -2.35 4.23 -0.23 -4.62 2.96 -1.11 -4.42 118.68 113.13 1ubn s LEU 196 Ca 0.28 1.77 -0.12 0.00 -0.22 0.00 0.00 54.13 55.84 1ubn s LEU 196 Cb 0.20 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.24 1ubn s LEU 196 CO 0.47 -0.70 -0.31 0.47 -1.32 0.00 0.00 176.35 174.96 1ubn n ASP 197 N 6.07 1.68 -3.79 3.68 8.00 -0.83 -4.17 116.55 127.20 1ubn n ASP 197 Ca 0.13 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.79 1ubn n ASP 197 Cb 0.45 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.79 1ubn n ASP 197 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ubn s VAL 198 N -2.46 0.00 0.10 2.53 -7.23 -1.16 -0.15 120.40 112.02 1ubn s VAL 198 Ca -0.33 -1.70 0.08 0.00 -1.81 0.00 0.00 61.98 58.22 1ubn s VAL 198 Cb 0.12 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1ubn s VAL 198 CO 0.41 0.00 -0.22 -0.04 -0.31 0.00 0.00 175.10 174.95 1ubn s MET 199 N -3.73 1.20 0.12 4.82 -1.94 0.13 -1.47 119.30 118.43 1ubn s MET 199 Ca 0.32 -1.15 -0.06 0.00 -1.71 0.00 0.00 55.69 53.09 1ubn s MET 199 Cb 0.02 -1.47 -0.02 0.00 2.01 0.00 0.00 34.83 35.38 1ubn s MET 199 CO 0.15 0.35 0.18 0.00 -0.01 0.00 0.00 175.02 175.68 1ubn s ALA 200 N -1.09 0.15 0.08 3.03 0.00 -0.89 -2.56 121.76 120.48 1ubn s ALA 200 Ca 0.07 -0.95 -0.33 0.00 0.00 0.00 0.00 51.96 50.75 1ubn s ALA 200 Cb -0.10 0.68 -0.12 0.00 0.00 0.00 0.00 23.12 23.59 1ubn s ALA 200 CO 0.04 -0.54 1.77 -2.30 0.00 0.00 0.00 175.76 174.73 1ubn n PRO 201 N -0.11 2.43 -0.64 0.00 -0.02 -1.26 -2.13 135.00 133.26 1ubn n PRO 201 Ca -0.10 0.88 0.01 0.00 -2.02 0.00 0.00 63.50 62.28 1ubn n PRO 201 Cb 0.63 -2.73 0.02 0.00 -0.02 0.00 0.00 33.50 31.40 1ubn n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ubn n GLY 202 N 4.03 0.96 2.86 -1.23 0.00 -0.43 -3.29 105.19 108.09 1ubn n GLY 202 Ca 0.19 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1ubn n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubn s VAL 203 N -0.25 0.76 -1.11 1.61 1.01 -1.25 -0.73 120.40 120.44 1ubn s VAL 203 Ca 0.09 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1ubn s VAL 203 Cb 0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1ubn s VAL 203 CO -0.03 0.32 0.85 -0.24 0.00 0.00 0.00 175.10 176.00 1ubn n SER 204 N 4.88 -5.45 -4.52 3.32 2.88 -1.13 -4.85 113.62 108.75 1ubn n SER 204 Ca -0.12 -0.84 -0.43 0.00 -1.33 0.00 0.00 58.87 56.16 1ubn n SER 204 Cb 0.50 -4.40 -0.07 0.00 -0.75 0.00 0.00 64.21 59.49 1ubn n SER 204 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ubn s ILE 205 N -3.44 4.86 -0.05 2.46 -1.09 0.08 -4.81 121.20 119.22 1ubn s ILE 205 Ca 0.41 0.09 -0.30 0.00 -2.23 0.00 0.00 60.65 58.62 1ubn s ILE 205 Cb -0.09 -4.18 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 1ubn s ILE 205 CO 0.79 -0.56 1.04 -1.10 -1.23 0.00 0.00 174.94 173.89 1ubn s GLN 206 N 2.73 4.46 0.37 2.79 -1.52 -1.26 -1.65 119.66 125.58 1ubn s GLN 206 Ca 0.21 1.47 -0.09 0.00 -1.95 0.00 0.00 55.36 55.01 1ubn s GLN 206 Cb -0.14 -3.50 0.04 0.00 -0.22 0.00 0.00 33.01 29.18 1ubn s GLN 206 CO 0.18 -0.23 0.64 0.45 -0.25 0.00 0.00 175.29 176.08 1ubn n SER 207 N 4.54 -1.83 -4.76 5.90 2.88 -0.74 -4.86 113.62 114.75 1ubn n SER 207 Ca 0.08 -2.68 -0.40 0.00 -1.33 0.00 0.00 58.87 54.54 1ubn n SER 207 Cb 0.49 3.17 -0.04 0.00 -0.75 0.00 0.00 64.21 67.08 1ubn n SER 207 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ubn s THR 208 N -2.43 3.42 0.16 2.46 -4.23 -1.26 -0.98 115.64 112.78 1ubn s THR 208 Ca 0.21 1.42 0.08 0.00 -1.18 0.00 0.00 61.69 62.22 1ubn s THR 208 Cb -0.03 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 1ubn s THR 208 CO 0.15 0.32 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.63 1ubn s LEU 209 N -1.54 2.44 0.53 4.79 1.43 0.13 -2.76 118.68 123.69 1ubn s LEU 209 Ca 0.46 -0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 1ubn s LEU 209 Cb -0.32 -0.76 -0.10 0.00 0.03 0.00 0.00 46.19 45.04 1ubn s LEU 209 CO 0.41 -0.07 0.51 -2.65 0.23 0.00 0.00 176.35 174.78 1ubn n PRO 210 N 0.29 0.52 -2.58 1.29 -0.02 -1.26 -2.49 135.00 130.75 1ubn n PRO 210 Ca -0.13 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.44 1ubn n PRO 210 Cb 0.57 -1.64 0.02 0.00 -0.02 0.00 0.00 33.50 32.43 1ubn n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ubn n GLY 211 N 1.80 0.07 3.74 -1.23 0.00 -1.26 -3.90 105.19 104.41 1ubn n GLY 211 Ca 0.11 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1ubn n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ubn n ASN 212 N -0.32 -3.02 -4.82 1.61 5.15 -1.22 -5.00 115.26 107.64 1ubn n ASN 212 Ca -0.06 -0.76 -0.29 0.00 -0.60 0.00 0.00 54.58 52.86 1ubn n ASN 212 Cb 0.56 -4.18 -0.04 0.00 -0.53 0.00 0.00 39.78 35.59 1ubn n ASN 212 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ubn s LYS 213 N -6.19 2.22 0.03 1.20 1.02 -1.04 -5.01 119.74 111.97 1ubn s LYS 213 Ca 0.29 -2.18 -0.07 0.00 0.02 0.00 0.00 55.97 54.03 1ubn s LYS 213 Cb -0.14 -1.83 -0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1ubn s LYS 213 CO 0.80 -0.46 0.13 0.71 -0.92 0.00 0.00 175.35 175.62 1ubn s TYR 214 N -2.81 0.12 -0.08 3.18 2.02 -1.26 -0.70 117.35 117.83 1ubn s TYR 214 Ca 0.22 -0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.27 1ubn s TYR 214 Cb 0.00 -0.09 0.12 0.00 -0.40 0.00 0.00 41.96 41.59 1ubn s TYR 214 CO 0.13 -0.36 0.98 0.20 -1.57 0.00 0.00 175.55 174.93 1ubn s GLY 215 N -1.91 -0.39 -0.24 0.71 0.00 -0.15 -4.78 107.32 100.57 1ubn s GLY 215 Ca -0.08 1.35 -0.11 0.00 0.00 0.00 0.00 44.72 45.87 1ubn s GLY 215 CO -0.03 0.51 0.20 0.00 0.00 0.00 0.00 173.10 173.79 1ubn s ALA 216 N -2.58 3.59 0.26 3.20 0.00 -1.26 -1.80 121.76 123.17 1ubn s ALA 216 Ca 0.05 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1ubn s ALA 216 Cb -0.01 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 1ubn s ALA 216 CO -0.06 -0.26 -0.10 0.71 0.00 0.00 0.00 175.76 176.04 1ubn s TYR 217 N 1.20 1.94 -0.00 0.00 2.02 -0.66 -4.78 117.35 117.07 1ubn s TYR 217 Ca 0.09 -0.61 0.08 0.00 -0.37 0.00 0.00 57.07 56.27 1ubn s TYR 217 Cb -0.14 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1ubn s TYR 217 CO 0.06 0.37 -0.26 -0.80 -1.57 0.00 0.00 175.55 173.35 1ubn s ASN 218 N -3.42 3.09 0.00 2.29 0.01 -1.26 -0.74 114.94 114.91 1ubn s ASN 218 Ca 0.27 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 1ubn s ASN 218 Cb 0.01 -0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.35 1ubn s ASN 218 CO 0.11 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.61 1ubn n GLY 219 N 2.24 3.42 2.26 0.66 0.00 0.09 -4.83 105.19 109.02 1ubn n GLY 219 Ca -0.16 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 1ubn n GLY 219 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ubn n THR 220 N -1.10 0.52 0.00 2.61 -2.24 -1.26 -2.88 114.28 109.93 1ubn n THR 220 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1ubn n THR 220 Cb 0.00 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 1ubn n THR 220 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1ubn n MET 222 N 2.61 0.00 0.11 -0.78 2.00 -1.26 -1.11 117.12 118.70 1ubn n MET 222 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.62 1ubn n MET 222 Cb 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.29 1ubn n MET 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ubn h ALA 223 N 0.00 -0.27 -0.49 3.04 0.00 -1.51 -3.37 119.26 116.67 1ubn h ALA 223 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1ubn h ALA 223 Cb 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 1ubn h ALA 223 CO 0.00 -0.54 -0.27 1.03 0.00 0.00 0.00 179.25 179.47 1ubn h SER 224 N -0.49 -0.93 -0.02 0.00 0.87 -1.40 -1.19 113.55 110.38 1ubn h SER 224 Ca -0.03 0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1ubn h SER 224 Cb 0.37 0.48 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1ubn h SER 224 CO 0.04 -0.28 0.13 1.55 -0.53 0.00 0.00 176.83 177.74 1ubn h PRO 225 N -0.16 0.00 -0.32 2.24 0.13 -1.87 0.32 132.00 132.33 1ubn h PRO 225 Ca 0.22 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.25 1ubn h PRO 225 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1ubn h PRO 225 CO -0.58 0.00 -0.17 0.45 -0.23 0.00 0.00 178.00 177.46 1ubn h HIS 226 N 0.00 0.79 0.04 1.56 3.86 -1.38 0.02 115.15 120.04 1ubn h HIS 226 Ca 0.01 -0.20 -0.25 0.00 -1.16 0.00 0.00 60.37 58.77 1ubn h HIS 226 Cb 0.27 -0.18 0.02 0.00 1.06 0.00 0.00 27.41 28.58 1ubn h HIS 226 CO 0.00 0.91 -1.01 0.28 0.86 0.00 0.00 177.93 178.97 1ubn h VAL 227 N 0.45 1.32 -0.91 2.45 2.07 -1.01 -1.30 116.25 119.32 1ubn h VAL 227 Ca 0.07 -2.28 0.09 0.00 0.82 0.00 0.00 66.70 65.40 1ubn h VAL 227 Cb 0.71 2.54 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 1ubn h VAL 227 CO 0.05 0.69 0.55 0.00 0.02 0.00 0.00 177.57 178.89 1ubn h ALA 228 N 0.34 1.31 -0.29 1.67 0.00 -1.24 -1.26 119.26 119.78 1ubn h ALA 228 Ca -0.14 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1ubn h ALA 228 Cb 1.68 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1ubn h ALA 228 CO 0.20 0.21 -0.34 0.78 0.00 0.00 0.00 179.25 180.09 1ubn h GLY 229 N 0.93 0.70 1.16 0.00 0.00 -0.92 -2.36 103.07 102.58 1ubn h GLY 229 Ca 0.43 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1ubn h GLY 229 CO -0.23 0.60 0.15 0.00 0.00 0.00 0.00 176.54 177.05 1ubn h ALA 230 N 1.08 1.03 -0.77 3.60 0.00 -0.78 -1.96 119.26 121.46 1ubn h ALA 230 Ca 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1ubn h ALA 230 Cb 0.85 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1ubn h ALA 230 CO 0.07 0.63 0.37 0.00 0.00 0.00 0.00 179.25 180.32 1ubn h ALA 231 N 1.17 1.20 -0.36 0.00 0.00 -1.07 -2.23 119.26 117.98 1ubn h ALA 231 Ca 0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ubn h ALA 231 Cb 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ubn h ALA 231 CO 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.74 1ubn h ALA 232 N 1.31 1.11 -0.18 0.00 0.00 -0.90 -2.54 119.26 118.06 1ubn h ALA 232 Ca 0.26 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1ubn h ALA 232 Cb 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ubn h ALA 232 CO -0.03 0.55 -0.65 -0.07 0.00 0.00 0.00 179.25 179.05 1ubn h LEU 233 N 0.58 0.88 -0.27 0.00 3.38 -0.88 -1.83 115.31 117.17 1ubn h LEU 233 Ca 0.10 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1ubn h LEU 233 Cb 0.56 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1ubn h LEU 233 CO 0.03 1.33 0.10 0.40 0.09 0.00 0.00 178.44 180.40 1ubn h ILE 234 N 0.48 0.93 -0.02 1.22 2.04 -1.38 -1.73 117.51 119.05 1ubn h ILE 234 Ca -0.03 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1ubn h ILE 234 Cb 1.27 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1ubn h ILE 234 CO 0.14 0.04 -0.43 -0.07 0.00 0.00 0.00 178.15 177.82 1ubn h LEU 235 N 0.22 0.04 -1.19 1.44 3.38 -1.49 0.13 115.31 117.84 1ubn h LEU 235 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1ubn h LEU 235 Cb 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ubn h LEU 235 CO -0.12 0.47 -0.31 0.77 0.09 0.00 0.00 178.44 179.34 1ubn h SER 236 N 0.03 0.00 0.49 -0.43 4.64 -0.47 -1.85 113.55 115.96 1ubn h SER 236 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1ubn h SER 236 Cb 0.78 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1ubn h SER 236 CO 0.06 0.31 -1.55 0.50 -0.87 0.00 0.00 176.83 175.28 1ubn h LYS 237 N 0.00 0.18 -2.28 4.77 3.64 -0.95 -3.42 116.57 118.50 1ubn h LYS 237 Ca -0.00 -0.30 -0.59 0.00 -1.27 0.00 0.00 60.65 58.49 1ubn h LYS 237 Cb 0.74 0.11 -0.40 0.00 -0.41 0.00 0.00 32.23 32.27 1ubn h LYS 237 CO 0.04 0.99 -0.88 0.72 -2.27 0.00 0.00 179.45 178.06 1ubn n HIS 238 N -3.37 0.98 0.23 1.91 8.25 0.40 -4.94 115.22 118.69 1ubn n HIS 238 Ca -0.16 -3.75 0.16 0.00 -0.26 0.00 0.00 57.72 53.71 1ubn n HIS 238 Cb 1.03 -0.30 0.83 0.00 1.12 0.00 0.00 29.99 32.68 1ubn n HIS 238 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ubn h PRO 239 N 4.62 0.00 -0.85 -0.41 0.13 -1.59 -1.72 132.00 132.18 1ubn h PRO 239 Ca 0.16 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.49 1ubn h PRO 239 Cb 0.82 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.79 1ubn h PRO 239 CO 0.57 0.00 -0.03 -0.97 -0.23 0.00 0.00 178.00 177.34 1ubn h ASN 240 N 0.00 -0.47 -4.22 1.44 -1.24 -1.92 -3.47 115.58 105.70 1ubn h ASN 240 Ca 0.06 0.23 -0.50 0.00 0.71 0.00 0.00 56.30 56.80 1ubn h ASN 240 Cb 0.34 0.42 0.09 0.00 0.73 0.00 0.00 38.32 39.90 1ubn h ASN 240 CO -0.00 -0.25 0.37 0.26 -1.29 0.00 0.00 177.43 176.52 1ubn s TRP 241 N -6.11 2.81 0.58 0.67 0.52 -0.65 -5.06 118.94 111.70 1ubn s TRP 241 Ca -0.14 1.52 -0.03 0.00 0.02 0.00 0.00 56.10 57.48 1ubn s TRP 241 Cb 0.25 -3.07 0.02 0.00 -1.15 0.00 0.00 33.47 29.52 1ubn s TRP 241 CO 0.76 -1.42 0.85 0.95 0.02 0.00 0.00 176.95 178.11 1ubn s THR 242 N -2.47 3.20 0.49 2.01 -4.23 -1.26 -4.96 115.64 108.41 1ubn s THR 242 Ca 0.65 -0.31 0.22 0.00 -1.18 0.00 0.00 61.69 61.06 1ubn s THR 242 Cb -0.18 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 70.67 1ubn s THR 242 CO 0.41 -0.23 2.11 -0.55 -0.54 0.00 0.00 174.62 175.82 1ubn h ASN 243 N -0.09 0.00 -0.44 3.99 -1.07 -1.91 -2.24 115.58 113.82 1ubn h ASN 243 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 55.80 1ubn h ASN 243 Cb 1.28 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.52 1ubn h ASN 243 CO 0.58 0.09 -0.20 0.74 0.07 0.00 0.00 177.43 178.71 1ubn h THR 244 N 0.00 1.27 -0.30 6.14 2.02 -1.93 -1.04 112.91 119.07 1ubn h THR 244 Ca -0.00 -1.35 -0.17 0.00 0.77 0.00 0.00 66.41 65.66 1ubn h THR 244 Cb 0.19 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1ubn h THR 244 CO 0.01 0.46 -0.49 1.56 0.37 0.00 0.00 175.52 177.43 1ubn h GLN 245 N 0.74 0.83 0.06 6.66 4.20 -1.79 -1.92 115.11 123.89 1ubn h GLN 245 Ca 0.10 -0.49 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 1ubn h GLN 245 Cb 0.77 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1ubn h GLN 245 CO 0.06 1.12 -0.03 0.28 -0.67 0.00 0.00 178.83 179.60 1ubn h VAL 246 N 0.65 1.01 -0.03 -0.54 2.07 -1.45 0.12 116.25 118.09 1ubn h VAL 246 Ca 0.03 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1ubn h VAL 246 Cb 1.08 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1ubn h VAL 246 CO 0.11 0.06 -0.15 -0.09 0.02 0.00 0.00 177.57 177.52 1ubn h ARG 247 N -0.19 -0.23 -0.79 1.57 2.43 -1.18 -1.76 114.38 114.23 1ubn h ARG 247 Ca -0.01 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1ubn h ARG 247 Cb 0.17 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1ubn h ARG 247 CO 0.01 -0.15 0.52 0.77 -1.51 0.00 0.00 179.97 179.61 1ubn h SER 248 N -0.24 0.88 -0.47 -3.80 0.02 -1.01 -1.67 113.55 107.26 1ubn h SER 248 Ca 0.06 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1ubn h SER 248 Cb 0.32 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1ubn h SER 248 CO -0.16 0.63 0.04 -1.28 -1.14 0.00 0.00 176.83 174.91 1ubn h SER 249 N 1.03 0.78 -0.33 3.07 0.87 -0.28 -0.50 113.55 118.20 1ubn h SER 249 Ca 0.30 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1ubn h SER 249 Cb -0.06 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1ubn h SER 249 CO -0.07 0.87 0.08 -0.07 -0.53 0.00 0.00 176.83 177.10 1ubn h LEU 250 N 0.66 0.50 -0.84 2.23 3.38 -0.49 -2.53 115.31 118.22 1ubn h LEU 250 Ca 0.14 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1ubn h LEU 250 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ubn h LEU 250 CO 0.02 0.60 -0.31 -0.33 0.09 0.00 0.00 178.44 178.51 1ubn h GLU 251 N 0.37 0.50 0.00 1.13 5.08 -1.15 -3.23 114.58 117.28 1ubn h GLU 251 Ca 0.10 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1ubn h GLU 251 Cb 0.30 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ubn h GLU 251 CO 0.00 0.76 -0.34 -0.91 -1.00 0.00 0.00 179.01 177.52 1ubn h ASN 252 N 0.43 0.00 -0.54 1.42 2.35 -0.91 -3.33 115.58 115.00 1ubn h ASN 252 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1ubn h ASN 252 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1ubn h ASN 252 CO 0.06 0.08 0.00 0.35 -1.65 0.00 0.00 177.43 176.27 1ubn n THR 253 N -3.01 1.72 -1.28 2.81 -2.24 -0.97 -5.02 114.28 106.28 1ubn n THR 253 Ca 0.02 -1.26 -0.31 0.00 -2.27 0.00 0.00 64.05 60.24 1ubn n THR 253 Cb 0.57 0.16 0.10 0.00 -2.10 0.00 0.00 70.33 69.06 1ubn n THR 253 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ubn s THR 254 N -1.80 3.22 -0.32 4.28 -4.23 -1.24 -4.29 115.64 111.26 1ubn s THR 254 Ca 0.45 0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 61.18 1ubn s THR 254 Cb 0.29 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1ubn s THR 254 CO 0.21 -0.52 0.50 -0.89 -0.54 0.00 0.00 174.62 173.39 1ubn s THR 255 N -2.93 5.04 0.08 3.99 2.01 0.27 -4.86 115.64 119.24 1ubn s THR 255 Ca 0.61 0.50 -0.31 0.00 0.31 0.00 0.00 61.69 62.80 1ubn s THR 255 Cb -0.17 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.37 1ubn s THR 255 CO 0.56 -0.11 1.28 -0.54 -0.69 0.00 0.00 174.62 175.12 1ubn s LYS 256 N 2.35 4.38 0.00 4.92 -0.14 -1.26 -0.29 119.74 129.70 1ubn s LYS 256 Ca 0.19 1.89 0.00 0.00 -1.36 0.00 0.00 55.97 56.69 1ubn s LYS 256 Cb -0.15 -3.32 0.00 0.00 -1.68 0.00 0.00 37.83 32.68 1ubn s LYS 256 CO 0.12 -0.34 0.00 1.28 -0.76 0.00 0.00 175.35 175.65 1ubn n LEU 257 N 3.99 0.00 0.00 3.17 4.77 -1.26 -4.92 117.00 122.75 1ubn n LEU 257 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1ubn n LEU 257 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1ubn n LEU 257 CO 0.57 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1ubn n GLY 258 N 5.00 0.94 3.77 -0.72 0.00 -1.26 -5.02 105.19 107.91 1ubn n GLY 258 Ca 0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1ubn n GLY 258 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ubn s ASP 259 N -1.00 6.79 0.46 1.61 2.15 -1.26 -4.69 116.67 120.72 1ubn s ASP 259 Ca 0.00 2.67 0.17 0.00 0.43 0.00 0.00 52.55 55.82 1ubn s ASP 259 Cb 0.00 -2.65 1.13 0.00 -0.30 0.00 0.00 42.92 41.10 1ubn s ASP 259 CO 0.00 -0.52 1.97 0.77 -0.17 0.00 0.00 175.17 177.22 1ubn h SER 260 N 3.38 0.28 -0.84 -0.34 4.64 -1.92 0.34 113.55 119.09 1ubn h SER 260 Ca -0.49 0.01 0.10 0.00 -0.47 0.00 0.00 61.79 60.94 1ubn h SER 260 Cb 1.23 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 1ubn h SER 260 CO 0.65 0.16 0.55 0.15 -0.87 0.00 0.00 176.83 177.47 1ubn h PHE 261 N 0.31 0.86 0.00 4.77 3.57 -1.87 0.17 116.94 124.75 1ubn h PHE 261 Ca 0.29 0.02 -0.27 0.00 3.53 0.00 0.00 57.97 61.54 1ubn h PHE 261 Cb 0.71 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1ubn h PHE 261 CO -0.00 0.40 -2.26 0.66 -2.23 0.00 0.00 178.31 174.88 1ubn n TYR 262 N -4.52 0.00 -0.14 0.41 4.01 1.00 -0.64 117.16 117.28 1ubn n TYR 262 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1ubn n TYR 262 Cb 0.32 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 1ubn n TYR 262 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ubn n TYR 263 N -2.61 0.00 -3.68 -0.72 4.01 0.03 -4.91 117.16 109.28 1ubn n TYR 263 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1ubn n TYR 263 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1ubn n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ubn n GLY 264 N 0.11 2.25 0.18 2.72 0.00 0.59 -1.62 105.19 109.43 1ubn n GLY 264 Ca 0.00 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.77 1ubn n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubn h LYS 265 N 0.00 0.00 0.00 1.61 1.79 -0.77 -3.36 116.57 115.84 1ubn h LYS 265 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ubn h LYS 265 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1ubn h LYS 265 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1ubn n GLY 266 N 0.16 0.35 3.66 3.86 0.00 -0.64 -4.26 105.19 108.32 1ubn n GLY 266 Ca 0.02 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 1ubn n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ubn s LEU 267 N 0.00 4.14 0.65 0.99 2.96 0.60 -0.69 118.68 127.33 1ubn s LEU 267 Ca 0.00 1.24 -0.17 0.00 -0.22 0.00 0.00 54.13 54.98 1ubn s LEU 267 Cb 0.00 -3.35 -0.00 0.00 0.50 0.00 0.00 46.19 43.33 1ubn s LEU 267 CO 0.00 -0.51 1.23 0.27 -1.32 0.00 0.00 176.35 176.02 1ubn s ILE 268 N 2.61 2.38 -0.32 6.68 -4.36 -1.06 -0.57 121.20 126.57 1ubn s ILE 268 Ca 0.40 0.22 -0.01 0.00 -0.26 0.00 0.00 60.65 61.00 1ubn s ILE 268 Cb -0.16 -2.98 0.11 0.00 1.25 0.00 0.00 42.46 40.68 1ubn s ILE 268 CO 0.10 -0.07 0.13 0.21 0.24 0.00 0.00 174.94 175.55 1ubn s ASN 269 N -1.71 3.80 0.49 4.36 3.84 -1.26 -4.64 114.94 119.82 1ubn s ASN 269 Ca 0.78 -1.67 0.28 0.00 0.21 0.00 0.00 52.86 52.46 1ubn s ASN 269 Cb -0.32 -0.71 1.03 0.00 -0.55 0.00 0.00 41.25 40.70 1ubn s ASN 269 CO 0.39 -0.40 1.86 1.62 -2.79 0.00 0.00 177.10 177.78 1ubn h VAL 270 N 6.26 0.22 -0.32 -5.21 3.04 -1.26 -1.28 116.25 117.71 1ubn h VAL 270 Ca -0.13 -0.85 -0.03 0.00 -1.01 0.00 0.00 66.70 64.68 1ubn h VAL 270 Cb 1.00 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.97 1ubn h VAL 270 CO 0.45 0.09 0.09 -0.61 -1.01 0.00 0.00 177.57 176.58 1ubn h GLN 271 N 0.00 0.51 -0.18 4.17 4.15 -1.72 -1.10 115.11 120.93 1ubn h GLN 271 Ca -0.00 -0.12 -0.18 0.00 0.77 0.00 0.00 58.65 59.12 1ubn h GLN 271 Cb 0.69 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.32 1ubn h GLN 271 CO 0.01 0.56 -0.59 0.00 -1.93 0.00 0.00 178.83 176.89 1ubn h ALA 272 N 0.92 0.32 -0.13 3.38 0.00 -1.81 -3.16 119.26 118.78 1ubn h ALA 272 Ca 0.10 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1ubn h ALA 272 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ubn h ALA 272 CO -0.00 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.79 1ubn h ALA 273 N 0.57 1.73 0.00 0.00 0.00 -1.16 -3.00 119.26 117.40 1ubn h ALA 273 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ubn h ALA 273 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ubn h ALA 273 CO 0.12 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1ubn h ALA 274 N 1.80 1.00 0.00 0.00 0.00 -1.16 -3.45 119.26 117.45 1ubn h ALA 274 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ubn h ALA 274 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ubn h ALA 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29