#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dui s LYS 2 N 0.00 2.04 0.04 0.00 -2.85 -1.26 -4.98 119.74 112.72 1dui s LYS 2 Ca 0.00 -1.38 -0.01 0.00 -1.00 0.00 0.00 55.97 53.58 1dui s LYS 2 Cb 0.00 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 36.32 1dui s LYS 2 CO 0.00 -0.93 -0.02 0.00 0.10 0.00 0.00 175.35 174.50 1dui s VAL 4 N -2.82 1.32 0.80 0.00 1.01 -1.26 -4.71 120.40 114.72 1dui s VAL 4 Ca -0.03 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 1dui s VAL 4 Cb -0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1dui s VAL 4 CO -0.06 0.40 0.53 -1.54 0.00 0.00 0.00 175.10 174.44 1dui n SER 5 N 4.06 -1.31 0.00 3.32 3.41 -1.14 -4.77 113.62 117.19 1dui n SER 5 Ca -0.20 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.03 1dui n SER 5 Cb 0.51 -1.23 0.52 0.00 -0.26 0.00 0.00 64.21 63.75 1dui n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dui n TYR 6 N -2.78 0.00 0.57 7.33 4.11 -1.26 -3.05 117.16 122.07 1dui n TYR 6 Ca 0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.12 1dui n TYR 6 Cb 0.51 -0.32 0.40 0.00 -0.00 0.00 0.00 39.34 39.93 1dui n TYR 6 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 1dui h GLY 7 N 3.50 0.00 0.87 -7.48 0.00 -1.93 -2.49 103.07 95.55 1dui h GLY 7 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dui h GLY 7 CO 0.00 0.00 0.01 -2.08 0.00 0.00 0.00 176.54 174.47 1dui h VAL 8 N 0.00 1.11 -0.29 4.60 2.07 -1.89 -0.71 116.25 121.14 1dui h VAL 8 Ca 0.00 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1dui h VAL 8 Cb 0.73 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1dui h VAL 8 CO 0.00 0.09 -0.34 0.77 0.02 0.00 0.00 177.57 178.11 1dui h SER 9 N -0.09 0.79 -0.78 0.57 4.64 -1.76 -2.11 113.55 114.80 1dui h SER 9 Ca 0.01 -0.49 0.06 0.00 -0.47 0.00 0.00 61.79 60.89 1dui h SER 9 Cb 0.13 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 61.95 1dui h SER 9 CO -0.00 1.12 0.51 -0.61 -0.87 0.00 0.00 176.83 176.98 1dui h GLN 10 N 0.48 0.85 -0.17 4.77 4.15 -1.35 -0.44 115.11 123.40 1dui h GLN 10 Ca 0.04 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1dui h GLN 10 Cb 0.92 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1dui h GLN 10 CO 0.08 0.56 0.00 0.44 -1.93 0.00 0.00 178.83 177.98 1dui n ILE 11 N -4.47 0.22 -1.89 2.39 -5.35 -0.28 -4.91 119.36 105.06 1dui n ILE 11 Ca 0.11 -0.33 -0.07 0.00 -0.27 0.00 0.00 62.75 62.19 1dui n ILE 11 Cb 0.19 0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 38.39 1dui n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1dui n LYS 12 N 0.26 -0.51 -0.28 6.28 5.02 -0.17 0.20 118.16 128.96 1dui n LYS 12 Ca 0.16 0.43 -0.06 0.00 -2.02 0.00 0.00 58.31 56.82 1dui n LYS 12 Cb 0.31 -4.28 0.06 0.00 -0.02 0.00 0.00 35.03 31.10 1dui n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dui h ALA 13 N 0.23 1.00 -0.97 7.82 0.00 -1.58 -3.11 119.26 122.65 1dui h ALA 13 Ca -0.15 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 54.85 1dui h ALA 13 Cb 0.94 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1dui h ALA 13 CO 0.19 0.61 0.69 -1.35 0.00 0.00 0.00 179.25 179.39 1dui h PRO 14 N 1.11 0.07 -0.38 0.00 0.11 -1.88 0.28 132.00 131.31 1dui h PRO 14 Ca 0.26 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.26 1dui h PRO 14 Cb 0.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1dui h PRO 14 CO -0.02 0.04 -0.21 0.00 -0.21 0.00 0.00 178.00 177.60 1dui h ALA 15 N 1.53 0.93 -0.08 -0.75 0.00 -1.94 0.36 119.26 119.32 1dui h ALA 15 Ca 0.47 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1dui h ALA 15 Cb 1.76 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1dui h ALA 15 CO -0.04 0.61 -0.02 -0.07 0.00 0.00 0.00 179.25 179.73 1dui h LEU 16 N 0.64 0.16 -1.76 0.00 -0.00 -0.66 -1.08 115.31 112.62 1dui h LEU 16 Ca 0.09 -0.38 0.05 0.00 -0.00 0.00 0.00 57.88 57.65 1dui h LEU 16 Cb 0.70 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.29 1dui h LEU 16 CO 0.05 0.50 0.26 0.45 -0.00 0.00 0.00 178.44 179.70 1dui h HIS 17 N -0.18 0.30 0.00 1.13 3.86 -0.63 -0.08 115.15 119.55 1dui h HIS 17 Ca 0.02 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1dui h HIS 17 Cb 0.43 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 1dui h HIS 17 CO 0.05 0.17 -0.22 0.66 0.86 0.00 0.00 177.93 179.45 1dui h SER 18 N 0.31 0.00 0.00 2.45 4.64 -0.02 -2.63 113.55 118.29 1dui h SER 18 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1dui h SER 18 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1dui h SER 18 CO -0.04 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 1dui n GLN 19 N -3.09 0.94 0.00 4.77 6.02 -0.21 -4.87 117.38 120.95 1dui n GLN 19 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1dui n GLN 19 Cb 0.58 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.47 1dui n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dui n GLY 20 N 0.76 1.40 3.73 1.08 0.00 -0.99 -5.05 105.19 106.12 1dui n GLY 20 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1dui n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dui s TYR 21 N -2.34 3.41 -0.03 1.61 2.02 -0.25 -4.96 117.35 116.81 1dui s TYR 21 Ca 0.00 0.35 0.11 0.00 -0.37 0.00 0.00 57.07 57.16 1dui s TYR 21 Cb 0.00 -2.18 0.19 0.00 -0.40 0.00 0.00 41.96 39.56 1dui s TYR 21 CO 0.00 0.27 1.08 0.25 -1.57 0.00 0.00 175.55 175.58 1dui n THR 22 N 3.56 0.32 -0.47 -0.71 -2.24 -1.26 -2.88 114.28 110.61 1dui n THR 22 Ca -0.15 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1dui n THR 22 Cb 0.52 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1dui n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dui n GLY 23 N -0.06 0.75 3.70 3.38 0.00 -1.26 -1.49 105.19 110.21 1dui n GLY 23 Ca 0.05 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1dui n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dui n SER 24 N 0.34 3.56 -1.18 1.61 7.64 -1.26 -2.02 113.62 122.31 1dui n SER 24 Ca 0.00 1.07 -0.15 0.00 1.01 0.00 0.00 58.87 60.81 1dui n SER 24 Cb 0.00 -1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 61.63 1dui n SER 24 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1dui n ASN 25 N 3.63 -4.79 -4.59 6.43 5.15 -1.26 -4.65 115.26 115.19 1dui n ASN 25 Ca 0.16 0.35 -0.34 0.00 -0.60 0.00 0.00 54.58 54.15 1dui n ASN 25 Cb 0.32 -3.62 -0.10 0.00 -0.53 0.00 0.00 39.78 35.84 1dui n ASN 25 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1dui s VAL 26 N -2.57 4.45 -0.28 3.44 1.01 -0.86 -4.95 120.40 120.64 1dui s VAL 26 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 1dui s VAL 26 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1dui s VAL 26 CO 0.00 0.48 0.54 -0.54 0.00 0.00 0.00 175.10 175.58 1dui s LYS 27 N 0.28 3.97 -0.18 2.72 1.02 -1.26 -0.65 119.74 125.64 1dui s LYS 27 Ca 0.01 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.25 1dui s LYS 27 Cb -0.13 -3.69 0.01 0.00 -0.52 0.00 0.00 37.83 33.51 1dui s LYS 27 CO 0.01 -0.43 -0.17 0.08 -0.92 0.00 0.00 175.35 173.92 1dui s VAL 28 N 2.38 2.33 -0.26 3.17 1.01 -0.26 0.06 120.40 128.83 1dui s VAL 28 Ca 0.22 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1dui s VAL 28 Cb -0.15 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1dui s VAL 28 CO 0.10 0.52 0.24 0.00 0.00 0.00 0.00 175.10 175.96 1dui s ALA 29 N 1.25 3.57 -0.77 5.51 0.00 -0.53 -1.65 121.76 129.13 1dui s ALA 29 Ca 0.03 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1dui s ALA 29 Cb -0.14 -2.49 0.20 0.00 0.00 0.00 0.00 23.12 20.70 1dui s ALA 29 CO -0.09 -0.43 0.69 0.08 0.00 0.00 0.00 175.76 176.00 1dui s VAL 30 N 1.55 5.21 -0.97 0.00 1.01 -0.93 -0.53 120.40 125.74 1dui s VAL 30 Ca 0.10 -2.51 -0.22 0.00 0.00 0.00 0.00 61.98 59.35 1dui s VAL 30 Cb -0.15 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.04 1dui s VAL 30 CO 0.08 -0.99 1.35 -0.63 0.00 0.00 0.00 175.10 174.92 1dui s ILE 31 N 0.21 4.09 0.00 2.22 1.01 -1.06 -1.98 121.20 125.69 1dui s ILE 31 Ca 0.17 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1dui s ILE 31 Cb -0.13 -4.98 0.00 0.00 0.01 0.00 0.00 42.46 37.36 1dui s ILE 31 CO -0.07 -1.83 0.00 -0.67 0.00 0.00 0.00 174.94 172.37 1dui n ASP 32 N 8.39 1.51 -1.33 3.58 2.03 -0.73 -4.09 116.55 125.92 1dui n ASP 32 Ca 0.28 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.58 1dui n ASP 32 Cb 0.50 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.08 1dui n ASP 32 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1dui n SER 33 N 0.00 3.45 0.00 1.67 3.41 -1.26 -1.02 113.62 119.87 1dui n SER 33 Ca 0.00 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1dui n SER 33 Cb 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1dui n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dui n GLY 34 N 0.16 -2.90 3.12 5.00 0.00 -1.26 -4.26 105.19 105.04 1dui n GLY 34 Ca 0.19 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 1dui n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dui s ILE 35 N -0.46 -0.29 -0.86 -0.61 1.01 -0.97 -3.52 121.20 115.50 1dui s ILE 35 Ca 0.00 0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.59 1dui s ILE 35 Cb 0.00 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 1dui s ILE 35 CO 0.00 0.08 1.80 -0.62 0.00 0.00 0.00 174.94 176.20 1dui s ASP 36 N 1.96 5.47 0.48 3.58 2.15 -1.26 -3.89 116.67 125.16 1dui s ASP 36 Ca -0.04 -0.60 0.32 0.00 0.43 0.00 0.00 52.55 52.66 1dui s ASP 36 Cb -0.11 -2.56 1.52 0.00 -0.30 0.00 0.00 42.92 41.48 1dui s ASP 36 CO -0.10 -2.40 1.97 0.77 -0.17 0.00 0.00 175.17 175.24 1dui h SER 37 N 11.67 0.00 0.39 -0.34 4.64 -1.87 -2.75 113.55 125.28 1dui h SER 37 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1dui h SER 37 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1dui h SER 37 CO 1.25 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.67 1dui n SER 38 N -2.76 0.00 -4.75 4.97 3.41 -1.26 -4.71 113.62 108.52 1dui n SER 38 Ca -0.00 0.44 -0.41 0.00 -0.26 0.00 0.00 58.87 58.64 1dui n SER 38 Cb 0.18 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 1dui n SER 38 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1dui s HIS 39 N -2.93 3.39 0.23 7.33 2.46 -1.04 -4.84 115.29 119.88 1dui s HIS 39 Ca 0.07 1.50 -0.01 0.00 0.47 0.00 0.00 55.06 57.08 1dui s HIS 39 Cb 0.08 -3.44 0.24 0.00 -0.13 0.00 0.00 32.58 29.33 1dui s HIS 39 CO 0.22 -1.16 1.62 -1.35 -2.47 0.00 0.00 174.74 171.59 1dui h PRO 40 N 4.40 0.59 -0.16 2.88 0.11 -1.92 -2.60 132.00 135.30 1dui h PRO 40 Ca -0.46 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1dui h PRO 40 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dui h PRO 40 CO 0.70 0.85 0.00 -0.40 -0.21 0.00 0.00 178.00 178.94 1dui n ASP 41 N -4.06 1.25 -4.11 -2.05 5.68 -1.26 -4.75 116.55 107.25 1dui n ASP 41 Ca -0.01 -1.75 -0.32 0.00 -0.50 0.00 0.00 54.79 52.21 1dui n ASP 41 Cb 0.48 -0.11 -0.16 0.00 -1.14 0.00 0.00 41.12 40.19 1dui n ASP 41 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1dui s LEU 42 N -1.38 2.00 -0.31 -2.12 1.43 -0.98 -5.06 118.68 112.27 1dui s LEU 42 Ca 0.26 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1dui s LEU 42 Cb 0.14 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 45.00 1dui s LEU 42 CO 0.20 0.01 0.08 0.20 0.23 0.00 0.00 176.35 177.08 1dui s ASN 43 N 1.18 5.16 -0.22 2.29 0.01 -1.26 -4.49 114.94 117.60 1dui s ASN 43 Ca 0.01 -0.84 -0.09 0.00 -0.71 0.00 0.00 52.86 51.23 1dui s ASN 43 Cb -0.14 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 1dui s ASN 43 CO -0.09 -0.23 0.11 -0.69 -1.51 0.00 0.00 177.10 174.69 1dui s VAL 44 N 1.47 4.95 -0.87 1.60 1.01 -1.26 -4.13 120.40 123.17 1dui s VAL 44 Ca 0.01 0.04 0.26 0.00 0.00 0.00 0.00 61.98 62.29 1dui s VAL 44 Cb -0.18 -3.29 0.13 0.00 0.00 0.00 0.00 36.38 33.04 1dui s VAL 44 CO 0.02 0.38 1.60 0.00 0.00 0.00 0.00 175.10 177.10 1dui n ALA 45 N 4.16 2.85 0.00 5.51 0.00 1.10 -4.92 120.51 129.21 1dui n ALA 45 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1dui n ALA 45 Cb 0.52 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1dui n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dui n GLY 46 N 1.43 -0.58 0.00 0.00 0.00 -1.15 -4.97 105.19 99.91 1dui n GLY 46 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1dui n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dui n GLY 47 N 0.00 0.53 3.59 -0.02 0.00 -1.26 -1.28 105.19 106.74 1dui n GLY 47 Ca 0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 1dui n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dui s ALA 48 N -1.05 -1.97 -0.11 4.61 0.00 -0.52 -4.91 121.76 117.80 1dui s ALA 48 Ca 0.00 1.61 0.01 0.00 0.00 0.00 0.00 51.96 53.58 1dui s ALA 48 Cb 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1dui s ALA 48 CO 0.00 -0.35 -0.14 0.45 0.00 0.00 0.00 175.76 175.72 1dui s SER 49 N -1.28 3.95 -0.03 0.00 0.15 -1.26 -1.44 113.70 113.79 1dui s SER 49 Ca 0.02 -0.32 0.17 0.00 0.70 0.00 0.00 55.95 56.52 1dui s SER 49 Cb -0.01 -1.46 0.53 0.00 -1.71 0.00 0.00 66.02 63.37 1dui s SER 49 CO -0.02 0.20 1.44 0.49 1.20 0.00 0.00 173.24 176.55 1dui n PHE 50 N 3.30 0.88 -3.39 3.44 3.72 0.03 -4.88 117.46 120.56 1dui n PHE 50 Ca -0.18 -0.55 -0.43 0.00 -0.05 0.00 0.00 57.45 56.24 1dui n PHE 50 Cb 0.53 -0.08 -0.09 0.00 -0.94 0.00 0.00 39.48 38.89 1dui n PHE 50 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1dui s VAL 51 N -1.29 5.17 0.55 -4.37 1.01 -1.24 -4.78 120.40 115.44 1dui s VAL 51 Ca 0.39 -0.47 0.26 0.00 0.00 0.00 0.00 61.98 62.16 1dui s VAL 51 Cb 0.22 -3.98 0.32 0.00 0.00 0.00 0.00 36.38 32.95 1dui s VAL 51 CO 0.23 -0.35 2.20 -0.65 0.00 0.00 0.00 175.10 176.53 1dui h PRO 52 N 8.67 0.00 0.00 2.72 0.11 -1.96 -1.61 132.00 139.92 1dui h PRO 52 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1dui h PRO 52 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1dui h PRO 52 CO 0.76 0.03 -0.55 0.77 -0.21 0.00 0.00 178.00 178.80 1dui h SER 53 N 0.00 0.00 -3.70 -2.05 0.02 -2.00 -3.40 113.55 102.42 1dui h SER 53 Ca -0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 1dui h SER 53 Cb 0.07 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.21 1dui h SER 53 CO 0.00 0.02 -0.71 -1.61 -1.14 0.00 0.00 176.83 173.39 1dui s GLU 54 N -3.28 1.44 0.17 3.45 2.02 -0.61 -4.97 118.70 116.93 1dui s GLU 54 Ca 0.03 -1.87 0.25 0.00 0.02 0.00 0.00 54.97 53.39 1dui s GLU 54 Cb 0.07 -3.05 0.52 0.00 0.10 0.00 0.00 34.13 31.77 1dui s GLU 54 CO 0.74 -0.97 1.50 1.79 0.02 0.00 0.00 175.26 178.34 1dui h THR 55 N 6.43 0.00 -3.42 3.63 1.35 -1.79 -3.36 112.91 115.75 1dui h THR 55 Ca -0.06 -0.53 -0.73 0.00 -0.55 0.00 0.00 66.41 64.55 1dui h THR 55 Cb 1.00 1.29 -0.24 0.00 -1.73 0.00 0.00 68.15 68.47 1dui h THR 55 CO 0.53 0.00 -0.41 0.21 -0.25 0.00 0.00 175.52 175.60 1dui s ASN 56 N -4.48 5.95 0.00 5.36 3.84 -1.26 -4.56 114.94 119.78 1dui s ASN 56 Ca 0.08 -1.25 0.15 0.00 0.21 0.00 0.00 52.86 52.04 1dui s ASN 56 Cb 0.12 -2.11 0.79 0.00 -0.55 0.00 0.00 41.25 39.51 1dui s ASN 56 CO 0.67 -0.55 1.39 -0.81 -2.79 0.00 0.00 177.10 175.02 1dui n PRO 57 N 5.09 0.27 -0.12 0.43 -0.04 -1.26 -2.54 135.00 136.83 1dui n PRO 57 Ca -0.12 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1dui n PRO 57 Cb 0.44 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.53 1dui n PRO 57 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1dui n PHE 58 N -1.22 0.30 -4.04 0.54 0.99 -1.26 -2.30 117.46 110.48 1dui n PHE 58 Ca 0.08 -0.29 -0.35 0.00 -0.00 0.00 0.00 57.45 56.89 1dui n PHE 58 Cb 0.10 -0.01 -0.14 0.00 -1.00 0.00 0.00 39.48 38.43 1dui n PHE 58 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1dui s GLN 59 N -1.02 3.36 -0.29 -1.08 2.00 -1.05 -3.20 119.66 118.37 1dui s GLN 59 Ca 0.21 -0.64 -0.04 0.00 -2.00 0.00 0.00 55.36 52.89 1dui s GLN 59 Cb 0.12 -2.93 0.03 0.00 0.80 0.00 0.00 33.01 31.04 1dui s GLN 59 CO 0.17 -0.14 0.02 0.34 -0.50 0.00 0.00 175.29 175.18 1dui s ASP 60 N 1.30 4.88 0.00 6.67 2.15 -1.26 -4.46 116.67 125.95 1dui s ASP 60 Ca 0.04 -1.03 0.26 0.00 0.43 0.00 0.00 52.55 52.25 1dui s ASP 60 Cb -0.14 -1.77 0.78 0.00 -0.30 0.00 0.00 42.92 41.49 1dui s ASP 60 CO -0.03 -0.23 1.58 0.59 -0.17 0.00 0.00 175.17 176.91 1dui n ASN 61 N 4.72 0.83 -0.14 -0.34 3.02 -1.26 -4.29 115.26 117.80 1dui n ASN 61 Ca -0.14 -0.69 -0.29 0.00 -0.03 0.00 0.00 54.58 53.42 1dui n ASN 61 Cb 0.45 0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 1dui n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1dui n ASN 62 N -0.88 1.96 0.00 6.41 2.85 -1.26 -4.83 115.26 119.51 1dui n ASN 62 Ca 0.11 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.91 1dui n ASN 62 Cb 0.34 -0.82 0.00 0.00 1.24 0.00 0.00 39.78 40.54 1dui n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1dui n SER 63 N -4.23 0.00 -0.07 1.20 3.41 -1.26 -4.99 113.62 107.67 1dui n SER 63 Ca -0.54 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.98 1dui n SER 63 Cb 0.89 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 1dui n SER 63 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1dui h HIS 64 N 0.00 -1.02 -0.33 7.33 6.17 -1.93 -2.25 115.15 123.11 1dui h HIS 64 Ca 0.00 0.05 -0.11 0.00 0.71 0.00 0.00 60.37 61.02 1dui h HIS 64 Cb 0.00 0.49 -0.01 0.00 2.52 0.00 0.00 27.41 30.41 1dui h HIS 64 CO 0.00 -0.41 -0.25 0.78 0.71 0.00 0.00 177.93 178.76 1dui h GLY 65 N -0.34 0.72 0.99 5.26 0.00 -1.85 -1.01 103.07 106.83 1dui h GLY 65 Ca 0.13 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1dui h GLY 65 CO -0.48 0.56 0.02 -0.84 0.00 0.00 0.00 176.54 175.80 1dui h THR 66 N 0.58 1.02 0.34 4.70 2.02 -1.57 0.46 112.91 120.45 1dui h THR 66 Ca 0.08 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1dui h THR 66 Cb 0.73 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1dui h THR 66 CO 0.06 0.01 -0.33 -0.74 0.37 0.00 0.00 175.52 174.89 1dui h HIS 67 N 0.03 -0.88 -0.93 3.16 6.17 -1.12 0.82 115.15 122.41 1dui h HIS 67 Ca 0.01 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.11 1dui h HIS 67 Cb 0.01 0.34 -0.05 0.00 2.52 0.00 0.00 27.41 30.23 1dui h HIS 67 CO -0.07 -0.47 0.61 0.28 0.71 0.00 0.00 177.93 178.99 1dui h VAL 68 N -0.69 1.22 -0.19 5.26 2.07 -1.05 -1.33 116.25 121.53 1dui h VAL 68 Ca -0.02 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1dui h VAL 68 Cb 0.62 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1dui h VAL 68 CO -0.05 0.23 -0.41 0.00 0.02 0.00 0.00 177.57 177.35 1dui h ALA 69 N 1.43 0.95 0.00 1.67 0.00 0.77 -2.47 119.26 121.61 1dui h ALA 69 Ca 0.35 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1dui h ALA 69 Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dui h ALA 69 CO -0.08 0.63 -0.42 0.78 0.00 0.00 0.00 179.25 180.16 1dui h GLY 70 N 1.13 0.00 1.97 0.00 0.00 0.13 -2.62 103.07 103.68 1dui h GLY 70 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1dui h GLY 70 CO 0.07 0.00 -0.48 -0.84 0.00 0.00 0.00 176.54 175.30 1dui h THR 71 N 0.00 1.34 -0.21 4.70 2.02 -0.82 -0.59 112.91 119.35 1dui h THR 71 Ca -0.00 -1.65 -0.09 0.00 0.77 0.00 0.00 66.41 65.44 1dui h THR 71 Cb 0.78 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1dui h THR 71 CO 0.05 0.47 -0.22 0.58 0.37 0.00 0.00 175.52 176.78 1dui h VAL 72 N 0.03 1.33 -0.86 3.16 2.07 -1.13 -2.11 116.25 118.74 1dui h VAL 72 Ca -0.00 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.14 1dui h VAL 72 Cb 0.86 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 1dui h VAL 72 CO 0.06 0.43 0.57 -0.07 0.02 0.00 0.00 177.57 178.58 1dui h LEU 73 N 0.19 0.98 -0.75 2.57 3.38 -1.39 0.19 115.31 120.47 1dui h LEU 73 Ca 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1dui h LEU 73 Cb 0.77 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1dui h LEU 73 CO 0.05 0.70 0.34 0.00 0.09 0.00 0.00 178.44 179.62 1dui h ALA 74 N 1.32 0.98 0.00 1.53 0.00 -0.97 0.89 119.26 123.01 1dui h ALA 74 Ca 0.32 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1dui h ALA 74 Cb -0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1dui h ALA 74 CO -0.07 0.57 -0.61 0.28 0.00 0.00 0.00 179.25 179.41 1dui h VAL 84 N 1.07 1.22 -1.56 0.00 2.07 -0.65 -3.40 116.25 115.01 1dui h VAL 84 Ca 0.26 -2.26 -0.40 0.00 0.82 0.00 0.00 66.70 65.11 1dui h VAL 84 Cb 0.16 2.30 -0.28 0.00 -1.52 0.00 0.00 31.29 31.95 1dui h VAL 84 CO -0.03 0.60 -0.79 0.00 0.02 0.00 0.00 177.57 177.37 1dui n ALA 85 N -2.33 0.77 -0.29 1.67 0.00 0.58 -4.82 120.51 116.09 1dui n ALA 85 Ca 0.00 -2.30 0.27 0.00 0.00 0.00 0.00 53.44 51.41 1dui n ALA 85 Cb 0.68 -1.07 0.62 0.00 0.00 0.00 0.00 19.45 19.68 1dui n ALA 85 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1dui h PRO 86 N 4.91 0.21 -0.64 0.00 0.14 0.85 -1.04 132.00 136.43 1dui h PRO 86 Ca 0.11 -0.01 0.00 0.00 0.14 0.00 0.00 66.00 66.24 1dui h PRO 86 Cb 0.98 -0.05 0.00 0.00 0.14 0.00 0.00 31.00 32.07 1dui h PRO 86 CO 0.28 0.14 0.00 -1.13 0.14 0.00 0.00 178.00 177.42 1dui n SER 87 N -4.43 4.90 -4.79 1.44 3.41 -0.55 -4.97 113.62 108.63 1dui n SER 87 Ca 0.24 -2.52 -0.34 0.00 -0.26 0.00 0.00 58.87 55.99 1dui n SER 87 Cb 0.99 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1dui n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dui s ALA 88 N -1.98 2.78 -0.21 7.33 0.00 -0.39 -4.03 121.76 125.26 1dui s ALA 88 Ca 0.52 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 1dui s ALA 88 Cb 0.34 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1dui s ALA 88 CO 0.23 -0.58 0.46 -1.12 0.00 0.00 0.00 175.76 174.75 1dui s SER 89 N -2.18 6.48 -0.10 0.00 0.01 0.18 -4.96 113.70 113.14 1dui s SER 89 Ca 0.67 0.58 -0.03 0.00 1.31 0.00 0.00 55.95 58.48 1dui s SER 89 Cb -0.18 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1dui s SER 89 CO 0.27 -0.14 0.02 -0.76 0.41 0.00 0.00 173.24 173.04 1dui s LEU 90 N 1.57 3.70 -0.13 2.44 1.02 -1.26 -1.10 118.68 124.92 1dui s LEU 90 Ca 0.21 0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.55 1dui s LEU 90 Cb -0.15 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.21 1dui s LEU 90 CO 0.09 0.36 -0.17 -0.31 0.02 0.00 0.00 176.35 176.34 1dui s TYR 91 N -0.77 2.29 -0.45 0.29 1.51 -0.66 0.35 117.35 119.92 1dui s TYR 91 Ca 0.12 -1.18 -0.22 0.00 -1.01 0.00 0.00 57.07 54.78 1dui s TYR 91 Cb -0.12 -1.62 0.03 0.00 -0.11 0.00 0.00 41.96 40.14 1dui s TYR 91 CO 0.02 -0.59 0.73 0.00 -1.11 0.00 0.00 175.55 174.60 1dui s ALA 92 N 1.08 3.31 -0.54 3.71 0.00 -0.40 -2.18 121.76 126.73 1dui s ALA 92 Ca -0.03 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 1dui s ALA 92 Cb -0.14 -3.41 0.14 0.00 0.00 0.00 0.00 23.12 19.70 1dui s ALA 92 CO -0.05 -1.89 0.38 0.08 0.00 0.00 0.00 175.76 174.28 1dui s VAL 93 N 3.11 3.92 -0.39 0.00 1.01 -0.84 -1.44 120.40 125.77 1dui s VAL 93 Ca 0.27 -2.32 -0.26 0.00 0.00 0.00 0.00 61.98 59.66 1dui s VAL 93 Cb -0.13 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1dui s VAL 93 CO 0.21 -0.81 0.97 -0.75 0.00 0.00 0.00 175.10 174.71 1dui s LYS 94 N 0.70 3.80 0.00 2.72 2.20 -0.52 -1.77 119.74 126.88 1dui s LYS 94 Ca 0.11 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1dui s LYS 94 Cb -0.22 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 1dui s LYS 94 CO -0.03 -1.04 0.00 1.33 -0.36 0.00 0.00 175.35 175.25 1dui n VAL 95 N 6.14 0.00 -4.67 4.02 0.24 -0.19 -0.79 118.33 123.08 1dui n VAL 95 Ca 0.08 -0.35 -0.33 0.00 -2.04 0.00 0.00 64.34 61.71 1dui n VAL 95 Cb 0.48 1.00 -0.16 0.00 -1.47 0.00 0.00 33.84 33.68 1dui n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1dui s LEU 96 N -1.40 2.18 0.00 1.34 1.43 -1.04 -4.13 118.68 117.06 1dui s LEU 96 Ca 0.00 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1dui s LEU 96 Cb 0.00 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1dui s LEU 96 CO 0.00 0.08 0.13 0.61 0.23 0.00 0.00 176.35 177.40 1dui n GLY 97 N 4.04 0.25 0.45 -3.19 0.00 -0.72 -4.28 105.19 101.75 1dui n GLY 97 Ca -0.20 -1.89 0.27 0.00 0.00 0.00 0.00 46.02 44.20 1dui n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dui h ALA 98 N -0.86 2.71 0.00 4.61 0.00 -1.88 0.19 119.26 124.03 1dui h ALA 98 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1dui h ALA 98 Cb 0.14 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dui h ALA 98 CO 0.04 -1.01 -0.12 0.38 0.00 0.00 0.00 179.25 178.54 1dui h ASP 99 N 0.00 0.00 0.00 0.00 3.04 -1.92 -3.39 116.42 114.16 1dui h ASP 99 Ca 0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.17 1dui h ASP 99 Cb 1.58 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.87 1dui h ASP 99 CO -0.00 0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.92 1dui n GLY 100 N 0.87 0.76 3.59 7.15 0.00 0.67 -5.09 105.19 113.14 1dui n GLY 100 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1dui n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dui s SER 101 N -1.50 4.27 0.21 1.61 1.04 -1.26 -4.79 113.70 113.28 1dui s SER 101 Ca 0.00 -0.73 -0.19 0.00 0.48 0.00 0.00 55.95 55.51 1dui s SER 101 Cb 0.00 -0.70 0.03 0.00 0.10 0.00 0.00 66.02 65.46 1dui s SER 101 CO 0.00 0.02 0.57 -0.83 0.98 0.00 0.00 173.24 173.98 1dui s GLY 102 N -3.53 -0.15 0.70 7.32 0.00 -1.26 -1.75 107.32 108.65 1dui s GLY 102 Ca 0.30 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.76 1dui s GLY 102 CO 0.18 -0.18 1.06 1.20 0.00 0.00 0.00 173.10 175.37 1dui s GLN 103 N -3.87 2.91 0.16 2.90 -0.21 -1.26 -4.93 119.66 115.36 1dui s GLN 103 Ca 0.09 0.87 -0.01 0.00 0.02 0.00 0.00 55.36 56.33 1dui s GLN 103 Cb -0.02 -1.99 0.01 0.00 1.00 0.00 0.00 33.01 32.00 1dui s GLN 103 CO -0.02 -1.10 1.39 1.88 -2.12 0.00 0.00 175.29 175.32 1dui h TYR 104 N -0.71 0.47 0.15 0.91 -1.99 -1.99 -2.53 116.97 111.28 1dui h TYR 104 Ca -0.44 -0.23 0.01 0.00 2.00 0.00 0.00 58.73 60.06 1dui h TYR 104 Cb 1.22 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.87 1dui h TYR 104 CO 0.60 1.02 -0.19 0.66 -0.00 0.00 0.00 178.16 180.24 1dui h SER 105 N 0.20 -0.53 -0.99 3.88 4.64 -1.99 -0.53 113.55 118.24 1dui h SER 105 Ca -0.05 0.06 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1dui h SER 105 Cb 1.43 0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 63.64 1dui h SER 105 CO 0.14 -0.28 0.63 -0.50 -0.87 0.00 0.00 176.83 175.94 1dui h TRP 106 N -0.40 1.12 -0.35 4.77 6.55 -1.83 -0.69 115.95 125.13 1dui h TRP 106 Ca 0.01 0.03 -0.07 0.00 0.95 0.00 0.00 58.89 59.81 1dui h TRP 106 Cb 0.39 -0.36 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 1dui h TRP 106 CO -0.17 0.48 -0.08 0.82 -1.05 0.00 0.00 178.44 178.44 1dui h ILE 107 N 1.01 1.23 -0.22 1.49 2.04 -0.90 0.78 117.51 122.94 1dui h ILE 107 Ca 0.47 -1.01 -0.16 0.00 1.00 0.00 0.00 64.86 65.17 1dui h ILE 107 Cb 0.43 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1dui h ILE 107 CO -0.23 0.34 -0.48 0.40 0.00 0.00 0.00 178.15 178.17 1dui h ILE 108 N 0.55 1.31 -0.76 -0.67 2.04 -0.15 0.05 117.51 119.88 1dui h ILE 108 Ca 0.10 -1.70 0.09 0.00 1.00 0.00 0.00 64.86 64.36 1dui h ILE 108 Cb 0.48 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.30 1dui h ILE 108 CO 0.03 0.54 0.41 0.78 0.00 0.00 0.00 178.15 179.90 1dui h ASN 109 N 0.43 0.58 0.49 1.72 2.35 -0.78 0.84 115.58 121.21 1dui h ASN 109 Ca 0.00 0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.65 1dui h ASN 109 Cb 1.09 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1dui h ASN 109 CO 0.11 0.34 -0.67 1.23 -1.65 0.00 0.00 177.43 176.78 1dui h GLY 110 N 0.71 0.18 1.12 2.83 0.00 -0.28 -1.21 103.07 106.42 1dui h GLY 110 Ca 0.36 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 1dui h GLY 110 CO -0.24 0.22 -0.16 -2.22 0.00 0.00 0.00 176.54 174.14 1dui h ILE 111 N 0.12 1.27 -0.15 2.60 2.04 0.46 -2.29 117.51 121.54 1dui h ILE 111 Ca -0.01 -1.32 -0.10 0.00 1.00 0.00 0.00 64.86 64.42 1dui h ILE 111 Cb 1.20 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1dui h ILE 111 CO 0.10 0.46 -0.35 -0.33 0.00 0.00 0.00 178.15 178.03 1dui h GLU 112 N 0.89 0.32 -0.32 2.37 4.39 0.83 -2.52 114.58 120.54 1dui h GLU 112 Ca 0.13 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1dui h GLU 112 Cb 0.73 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1dui h GLU 112 CO 0.06 0.63 -0.07 2.35 -1.16 0.00 0.00 179.01 180.82 1dui h TRP 113 N 0.27 0.56 -0.26 4.33 7.01 -0.90 -2.56 115.95 124.41 1dui h TRP 113 Ca 0.03 -0.08 -0.04 0.00 2.11 0.00 0.00 58.89 60.92 1dui h TRP 113 Cb 0.75 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 1dui h TRP 113 CO 0.02 0.60 0.00 0.00 -2.79 0.00 0.00 178.44 176.27 1dui h ALA 114 N 1.43 0.35 -0.00 2.65 0.00 -0.98 -1.41 119.26 121.30 1dui h ALA 114 Ca 0.10 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1dui h ALA 114 Cb 0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1dui h ALA 114 CO 0.02 0.08 -0.16 0.82 0.00 0.00 0.00 179.25 180.01 1dui h ILE 115 N 0.23 0.62 -0.06 0.00 2.04 -1.48 -0.14 117.51 118.73 1dui h ILE 115 Ca 0.07 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1dui h ILE 115 Cb 0.41 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1dui h ILE 115 CO 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.98 1dui h ALA 116 N 0.67 1.59 -0.51 1.87 0.00 -1.44 -1.80 119.26 119.65 1dui h ALA 116 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1dui h ALA 116 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1dui h ALA 116 CO -0.15 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.49 1dui n ASN 117 N -4.28 4.05 -3.20 0.00 3.02 -0.54 -4.95 115.26 109.36 1dui n ASN 117 Ca -0.02 -2.42 -0.23 0.00 -0.03 0.00 0.00 54.58 51.88 1dui n ASN 117 Cb 0.27 -0.54 0.03 0.00 -0.61 0.00 0.00 39.78 38.93 1dui n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1dui n ASN 118 N 0.79 -5.50 -4.66 6.41 4.13 -0.68 -4.95 115.26 110.81 1dui n ASN 118 Ca 0.21 -0.36 -0.38 0.00 1.68 0.00 0.00 54.58 55.73 1dui n ASN 118 Cb 0.78 -4.44 0.06 0.00 -1.54 0.00 0.00 39.78 34.64 1dui n ASN 118 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1dui n MET 119 N -4.09 1.00 -0.04 3.52 2.81 -0.11 -4.91 117.12 115.31 1dui n MET 119 Ca -0.07 0.39 -0.03 0.00 -1.81 0.00 0.00 57.70 56.18 1dui n MET 119 Cb 0.59 -2.30 -0.14 0.00 -0.71 0.00 0.00 33.22 30.66 1dui n MET 119 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1dui n ASP 120 N -1.13 0.29 -3.92 7.83 8.00 0.11 -4.64 116.55 123.08 1dui n ASP 120 Ca 0.14 0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.61 1dui n ASP 120 Cb 0.47 0.93 -0.15 0.00 -0.02 0.00 0.00 41.12 42.35 1dui n ASP 120 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1dui s VAL 121 N -2.84 0.37 -0.06 2.53 1.01 -0.45 -1.22 120.40 119.74 1dui s VAL 121 Ca -0.07 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1dui s VAL 121 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1dui s VAL 121 CO 0.84 0.13 -0.22 -0.63 0.00 0.00 0.00 175.10 175.22 1dui s ILE 122 N 0.18 2.34 -0.16 2.22 1.01 -0.10 -1.46 121.20 125.24 1dui s ILE 122 Ca -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1dui s ILE 122 Cb -0.05 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1dui s ILE 122 CO -0.00 0.57 -0.21 0.21 0.00 0.00 0.00 174.94 175.51 1dui s ASN 123 N -0.21 3.17 -0.55 3.58 2.47 0.31 -0.63 114.94 123.06 1dui s ASN 123 Ca -0.01 -0.61 0.00 0.00 0.42 0.00 0.00 52.86 52.66 1dui s ASN 123 Cb -0.13 -1.47 0.14 0.00 -1.45 0.00 0.00 41.25 38.34 1dui s ASN 123 CO 0.03 0.05 0.33 -0.04 -3.72 0.00 0.00 177.10 173.75 1dui s MET 124 N 1.02 2.23 -1.31 0.43 -1.94 0.18 -2.55 119.30 117.35 1dui s MET 124 Ca -0.02 -2.49 -0.09 0.00 -1.71 0.00 0.00 55.69 51.38 1dui s MET 124 Cb -0.14 -3.52 0.14 0.00 2.01 0.00 0.00 34.83 33.31 1dui s MET 124 CO -0.06 -1.13 2.04 0.43 -0.01 0.00 0.00 175.02 176.28 1dui n SER 125 N 3.44 5.66 -3.66 3.03 7.64 -1.26 0.00 113.62 128.47 1dui n SER 125 Ca 0.06 -3.08 -0.10 0.00 1.01 0.00 0.00 58.87 56.76 1dui n SER 125 Cb 0.36 -1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.06 1dui n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1dui s LEU 126 N -0.33 -0.30 -0.10 -3.43 0.05 -1.26 -4.87 118.68 108.43 1dui s LEU 126 Ca 0.44 -0.34 -0.31 0.00 0.05 0.00 0.00 54.13 53.96 1dui s LEU 126 Cb 0.12 2.54 0.12 0.00 -2.05 0.00 0.00 46.19 46.92 1dui s LEU 126 CO -0.02 -1.13 1.03 -0.83 -0.55 0.00 0.00 176.35 174.84 1dui s GLY 127 N -2.84 -0.36 0.05 -3.48 0.00 -1.26 -4.28 107.32 95.14 1dui s GLY 127 Ca 0.07 1.42 -0.00 0.00 0.00 0.00 0.00 44.72 46.20 1dui s GLY 127 CO -0.03 0.52 -0.04 -0.32 0.00 0.00 0.00 173.10 173.24 1dui s GLY 128 N -2.14 0.43 0.36 0.20 0.00 -0.30 -4.88 107.32 101.00 1dui s GLY 128 Ca 0.06 -1.00 0.26 0.00 0.00 0.00 0.00 44.72 44.03 1dui s GLY 128 CO -0.06 -1.10 1.73 -0.56 0.00 0.00 0.00 173.10 173.11 1dui h PRO 129 N 3.68 0.00 -6.04 2.90 0.13 -1.96 0.12 132.00 130.83 1dui h PRO 129 Ca -0.34 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.11 1dui h PRO 129 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1dui h PRO 129 CO 0.56 0.00 -0.65 -1.54 -0.23 0.00 0.00 178.00 176.15 1dui s SER 130 N -5.38 5.05 0.74 1.44 1.04 -1.26 -4.85 113.70 110.48 1dui s SER 130 Ca 0.07 0.08 -0.11 0.00 0.48 0.00 0.00 55.95 56.47 1dui s SER 130 Cb 0.08 -1.37 0.03 0.00 0.10 0.00 0.00 66.02 64.87 1dui s SER 130 CO 0.60 0.36 1.07 -0.83 0.98 0.00 0.00 173.24 175.43 1dui s GLY 131 N -0.93 1.65 -0.11 7.32 0.00 -1.26 -4.81 107.32 109.17 1dui s GLY 131 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.80 1dui s GLY 131 CO 0.03 0.34 0.24 -0.45 0.00 0.00 0.00 173.10 173.26 1dui s SER 132 N -3.81 0.18 0.42 1.64 0.15 -1.26 -5.06 113.70 105.96 1dui s SER 132 Ca 0.59 0.53 0.22 0.00 0.70 0.00 0.00 55.95 57.99 1dui s SER 132 Cb -0.14 0.54 0.86 0.00 -1.71 0.00 0.00 66.02 65.57 1dui s SER 132 CO 0.55 -0.21 1.81 0.00 1.20 0.00 0.00 173.24 176.58 1dui h ALA 133 N 7.91 1.05 0.00 5.45 0.00 -1.97 0.23 119.26 131.92 1dui h ALA 133 Ca -0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1dui h ALA 133 Cb 1.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dui h ALA 133 CO 0.22 0.35 -0.28 0.00 0.00 0.00 0.00 179.25 179.54 1dui h ALA 134 N 1.72 0.86 0.02 0.00 0.00 -1.97 0.29 119.26 120.18 1dui h ALA 134 Ca -0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 1dui h ALA 134 Cb 0.77 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1dui h ALA 134 CO 0.04 0.09 -1.79 -0.11 0.00 0.00 0.00 179.25 177.48 1dui n LEU 135 N -3.03 1.15 0.03 0.00 7.94 -0.97 -2.58 117.00 119.54 1dui n LEU 135 Ca 0.03 0.36 -0.05 0.00 -1.11 0.00 0.00 56.01 55.24 1dui n LEU 135 Cb 0.57 -0.04 0.17 0.00 0.53 0.00 0.00 43.42 44.64 1dui n LEU 135 CO 0.36 0.48 0.64 0.50 -1.11 0.00 0.00 177.39 178.25 1dui h LYS 136 N 0.01 0.43 0.00 1.96 3.64 -0.43 -2.84 116.57 119.34 1dui h LYS 136 Ca -0.32 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 58.78 1dui h LYS 136 Cb 2.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.83 1dui h LYS 136 CO 0.08 0.75 -0.36 0.00 -2.27 0.00 0.00 179.45 177.65 1dui h ALA 137 N 1.24 1.32 -0.14 5.00 0.00 -0.37 -2.54 119.26 123.76 1dui h ALA 137 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1dui h ALA 137 Cb 0.83 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1dui h ALA 137 CO 0.07 0.44 -0.06 0.00 0.00 0.00 0.00 179.25 179.71 1dui h ALA 138 N 1.64 0.20 -0.13 0.00 0.00 -1.27 -1.49 119.26 118.22 1dui h ALA 138 Ca -0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1dui h ALA 138 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1dui h ALA 138 CO 0.05 -0.02 -0.46 -0.39 0.00 0.00 0.00 179.25 178.43 1dui h VAL 139 N -0.03 1.32 -0.21 0.00 -1.51 -1.48 0.14 116.25 114.48 1dui h VAL 139 Ca 0.03 -1.64 -0.13 0.00 -1.23 0.00 0.00 66.70 63.73 1dui h VAL 139 Cb 0.51 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1dui h VAL 139 CO 0.02 0.49 -0.42 0.44 -1.23 0.00 0.00 177.57 176.87 1dui h ASP 140 N 0.26 0.52 0.27 4.19 3.32 -1.36 -2.08 116.42 121.53 1dui h ASP 140 Ca 0.02 -0.24 -0.24 0.00 0.02 0.00 0.00 57.03 56.60 1dui h ASP 140 Cb 0.91 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.31 1dui h ASP 140 CO 0.07 0.88 -0.97 0.50 -1.72 0.00 0.00 179.24 178.01 1dui h LYS 141 N 0.40 0.47 -0.36 3.56 3.64 -0.99 0.68 116.57 123.98 1dui h LYS 141 Ca 0.03 -0.51 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1dui h LYS 141 Cb 0.91 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1dui h LYS 141 CO 0.08 1.16 0.13 0.00 -2.27 0.00 0.00 179.45 178.54 1dui h ALA 142 N 0.66 0.47 -0.45 5.00 0.00 -0.55 0.25 119.26 124.64 1dui h ALA 142 Ca -0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1dui h ALA 142 Cb 1.61 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1dui h ALA 142 CO 0.17 0.09 -0.06 0.28 0.00 0.00 0.00 179.25 179.74 1dui h VAL 143 N 0.43 1.25 -0.01 0.00 2.07 -1.34 -1.15 116.25 117.51 1dui h VAL 143 Ca 0.12 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 1dui h VAL 143 Cb 0.22 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1dui h VAL 143 CO -0.01 0.37 -0.32 0.00 0.02 0.00 0.00 177.57 177.64 1dui h ALA 144 N 1.22 1.46 0.00 1.67 0.00 -0.32 -0.65 119.26 122.64 1dui h ALA 144 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dui h ALA 144 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1dui h ALA 144 CO 0.03 0.41 0.00 0.43 0.00 0.00 0.00 179.25 180.12 1dui n SER 145 N -4.15 0.00 0.00 0.00 7.64 0.82 -4.90 113.62 113.03 1dui n SER 145 Ca -0.02 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1dui n SER 145 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1dui n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dui n GLY 146 N 0.78 0.60 3.85 0.23 0.00 -0.25 -5.05 105.19 105.34 1dui n GLY 146 Ca 0.17 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1dui n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dui s VAL 147 N -2.00 4.80 -0.29 1.61 1.01 -0.74 -4.25 120.40 120.55 1dui s VAL 147 Ca 0.00 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 62.63 1dui s VAL 147 Cb 0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1dui s VAL 147 CO 0.00 0.12 0.60 -0.69 0.00 0.00 0.00 175.10 175.13 1dui s VAL 148 N -1.61 4.98 -0.18 2.92 1.01 -0.36 -4.18 120.40 122.99 1dui s VAL 148 Ca 0.42 0.89 -0.06 0.00 0.00 0.00 0.00 61.98 63.24 1dui s VAL 148 Cb -0.14 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1dui s VAL 148 CO 0.20 -0.06 0.02 -0.69 0.00 0.00 0.00 175.10 174.56 1dui s VAL 149 N 2.51 4.30 0.02 2.92 1.01 -1.26 -0.92 120.40 128.97 1dui s VAL 149 Ca 0.24 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.07 1dui s VAL 149 Cb -0.15 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1dui s VAL 149 CO 0.11 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 1dui s VAL 150 N 0.52 1.37 0.09 2.92 1.01 0.19 -2.34 120.40 124.16 1dui s VAL 150 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1dui s VAL 150 Cb -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1dui s VAL 150 CO 0.02 0.24 -0.04 0.00 0.00 0.00 0.00 175.10 175.32 1dui s ALA 151 N -0.62 0.84 0.46 5.51 0.00 -0.56 0.51 121.76 127.90 1dui s ALA 151 Ca 0.06 -1.33 -0.24 0.00 0.00 0.00 0.00 51.96 50.45 1dui s ALA 151 Cb -0.07 0.27 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 1dui s ALA 151 CO 0.01 -0.30 1.29 0.00 0.00 0.00 0.00 175.76 176.75 1dui s ALA 152 N -3.75 3.05 -0.74 0.00 0.00 0.10 -2.67 121.76 117.75 1dui s ALA 152 Ca 0.12 1.20 0.26 0.00 0.00 0.00 0.00 51.96 53.54 1dui s ALA 152 Cb 0.06 -3.49 0.87 0.00 0.00 0.00 0.00 23.12 20.56 1dui s ALA 152 CO -0.05 -0.97 1.78 0.00 0.00 0.00 0.00 175.76 176.52 1dui n ALA 153 N -0.40 2.22 0.00 0.00 0.00 -0.17 -4.50 120.51 117.66 1dui n ALA 153 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1dui n ALA 153 Cb 0.45 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1dui n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dui n GLY 154 N 1.19 3.07 2.54 0.00 0.00 -1.26 -1.89 105.19 108.84 1dui n GLY 154 Ca 0.05 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 1dui n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dui n ASN 155 N 0.00 5.32 -1.25 1.61 3.02 -1.25 -0.46 115.26 122.25 1dui n ASN 155 Ca 0.00 -3.75 0.11 0.00 -0.03 0.00 0.00 54.58 50.91 1dui n ASN 155 Cb 0.00 -0.58 0.30 0.00 -0.61 0.00 0.00 39.78 38.89 1dui n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1dui n GLU 156 N -0.51 2.80 0.00 3.52 -0.58 -0.78 -4.80 120.64 120.28 1dui n GLU 156 Ca 0.43 -2.58 0.00 0.00 -0.42 0.00 0.00 57.16 54.59 1dui n GLU 156 Cb 0.60 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1dui n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dui n GLY 157 N 1.44 2.10 3.59 0.62 0.00 -0.57 -4.78 105.19 107.59 1dui n GLY 157 Ca 0.23 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1dui n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dui s THR 158 N 0.00 2.01 -0.44 2.61 -4.23 -1.26 -3.99 115.64 110.34 1dui s THR 158 Ca 0.00 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.53 1dui s THR 158 Cb 0.00 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 71.23 1dui s THR 158 CO 0.00 -0.06 0.85 -0.24 -0.54 0.00 0.00 174.62 174.63 1dui n SER 159 N -0.90 -1.55 0.00 3.99 2.88 -1.26 -5.07 113.62 111.71 1dui n SER 159 Ca -0.05 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.25 1dui n SER 159 Cb 0.66 0.97 0.00 0.00 -0.75 0.00 0.00 64.21 65.09 1dui n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dui n GLY 160 N 1.05 1.91 0.79 0.46 0.00 -1.26 -1.40 105.19 106.74 1dui n GLY 160 Ca 0.13 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1dui n GLY 160 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dui n SER 161 N 4.84 2.30 -4.85 1.61 3.41 -1.26 -4.94 113.62 114.74 1dui n SER 161 Ca 0.00 -1.95 -0.34 0.00 -0.26 0.00 0.00 58.87 56.32 1dui n SER 161 Cb 0.00 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 1dui n SER 161 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1dui s SER 162 N -1.13 6.80 0.12 4.04 0.01 -0.49 -5.01 113.70 118.05 1dui s SER 162 Ca 0.31 1.15 -0.31 0.00 1.31 0.00 0.00 55.95 58.41 1dui s SER 162 Cb 0.16 -2.32 -0.08 0.00 0.21 0.00 0.00 66.02 64.00 1dui s SER 162 CO 0.22 -0.04 1.31 -0.55 0.41 0.00 0.00 173.24 174.59 1dui s SER 163 N -2.02 6.93 -0.15 2.44 0.15 -1.26 -4.28 113.70 115.50 1dui s SER 163 Ca 0.46 2.25 0.16 0.00 0.70 0.00 0.00 55.95 59.52 1dui s SER 163 Cb -0.13 -2.59 0.47 0.00 -1.71 0.00 0.00 66.02 62.06 1dui s SER 163 CO 0.20 -0.56 1.37 0.35 1.20 0.00 0.00 173.24 175.80 1dui n THR 164 N 3.54 2.09 -2.28 6.45 -2.24 0.14 -4.97 114.28 117.01 1dui n THR 164 Ca 0.09 -1.82 -0.42 0.00 -2.27 0.00 0.00 64.05 59.63 1dui n THR 164 Cb 0.44 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 1dui n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1dui s VAL 165 N -2.62 3.77 0.44 2.28 1.01 -1.19 -4.53 120.40 119.56 1dui s VAL 165 Ca 0.38 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.52 1dui s VAL 165 Cb 0.31 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 33.01 1dui s VAL 165 CO 0.09 0.03 0.59 0.61 0.00 0.00 0.00 175.10 176.42 1dui n GLY 166 N 3.50 -0.36 3.67 4.51 0.00 -0.79 -4.68 105.19 111.04 1dui n GLY 166 Ca 0.12 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 1dui n GLY 166 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dui s TYR 167 N -1.99 3.16 -1.74 1.61 2.02 0.43 0.46 117.35 121.31 1dui s TYR 167 Ca 0.36 0.16 0.30 0.00 -0.37 0.00 0.00 57.07 57.51 1dui s TYR 167 Cb -0.01 -1.82 1.43 0.00 -0.40 0.00 0.00 41.96 41.15 1dui s TYR 167 CO 0.25 0.42 1.97 -0.35 -1.57 0.00 0.00 175.55 176.27 1dui n PRO 168 N 2.33 0.77 -0.34 -1.71 -0.04 -1.26 -1.15 135.00 133.60 1dui n PRO 168 Ca -0.18 -0.18 0.36 0.00 -0.04 0.00 0.00 63.50 63.45 1dui n PRO 168 Cb 0.53 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.22 1dui n PRO 168 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1dui h GLY 169 N 4.97 0.00 2.00 0.55 0.00 -1.67 -0.32 103.07 108.61 1dui h GLY 169 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1dui h GLY 169 CO 0.00 0.00 -0.21 1.70 0.00 0.00 0.00 176.54 178.03 1dui h LYS 170 N 0.00 0.00 -6.88 4.80 3.64 -0.27 -3.39 116.57 114.46 1dui h LYS 170 Ca 0.59 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 59.46 1dui h LYS 170 Cb 2.52 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 34.38 1dui h LYS 170 CO -0.01 0.21 0.50 0.71 -2.27 0.00 0.00 179.45 178.60 1dui s TYR 171 N -3.77 3.28 0.54 1.91 2.02 -0.13 -4.89 117.35 116.30 1dui s TYR 171 Ca -0.00 1.60 0.21 0.00 -0.37 0.00 0.00 57.07 58.51 1dui s TYR 171 Cb 0.11 -3.36 1.47 0.00 -0.40 0.00 0.00 41.96 39.77 1dui s TYR 171 CO 0.63 -1.03 2.18 -1.35 -1.57 0.00 0.00 175.55 174.40 1dui h PRO 172 N 3.17 0.00 0.00 -1.71 0.11 -1.88 -0.76 132.00 130.93 1dui h PRO 172 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dui h PRO 172 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1dui h PRO 172 CO 0.65 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 1dui n SER 173 N -4.24 0.00 -4.70 -2.05 3.41 -1.26 -4.78 113.62 100.00 1dui n SER 173 Ca -0.03 -0.43 -0.29 0.00 -0.26 0.00 0.00 58.87 57.87 1dui n SER 173 Cb 0.10 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 1dui n SER 173 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dui s VAL 174 N -2.29 4.05 -0.44 -3.33 1.01 -0.29 -4.71 120.40 114.40 1dui s VAL 174 Ca 0.31 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1dui s VAL 174 Cb 0.17 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.61 1dui s VAL 174 CO 0.33 0.03 0.40 -0.63 0.00 0.00 0.00 175.10 175.24 1dui s ILE 175 N -1.48 5.16 -0.16 2.22 1.01 -0.99 -4.87 121.20 122.10 1dui s ILE 175 Ca 0.27 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 1dui s ILE 175 Cb -0.11 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1dui s ILE 175 CO 0.19 -0.46 0.41 0.00 0.00 0.00 0.00 174.94 175.08 1dui s ALA 176 N 1.91 3.53 -0.23 9.38 0.00 -1.26 -1.50 121.76 133.59 1dui s ALA 176 Ca 0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1dui s ALA 176 Cb -0.20 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1dui s ALA 176 CO 0.11 -0.08 -0.01 0.08 0.00 0.00 0.00 175.76 175.86 1dui s VAL 177 N 0.81 3.61 0.62 0.00 1.01 -1.09 -0.32 120.40 125.05 1dui s VAL 177 Ca 0.21 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1dui s VAL 177 Cb -0.14 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.64 1dui s VAL 177 CO 0.08 0.38 0.86 -0.83 0.00 0.00 0.00 175.10 175.58 1dui s GLY 178 N 1.51 1.80 -0.06 4.51 0.00 -0.50 -0.99 107.32 113.59 1dui s GLY 178 Ca 0.06 -1.58 0.04 0.00 0.00 0.00 0.00 44.72 43.23 1dui s GLY 178 CO -0.01 -1.17 -0.15 0.00 0.00 0.00 0.00 173.10 171.76 1dui s ALA 179 N -2.89 2.60 0.36 3.20 0.00 -1.26 -1.38 121.76 122.39 1dui s ALA 179 Ca 0.61 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.68 1dui s ALA 179 Cb -0.08 -0.95 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 1dui s ALA 179 CO 0.41 0.51 -0.04 0.14 0.00 0.00 0.00 175.76 176.78 1dui s VAL 180 N -0.58 2.31 0.00 0.00 -7.23 0.51 -2.30 120.40 113.11 1dui s VAL 180 Ca 0.08 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1dui s VAL 180 Cb -0.11 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1dui s VAL 180 CO 0.01 -0.16 0.00 -0.90 -0.31 0.00 0.00 175.10 173.74 1dui n ASP 181 N -0.89 0.49 0.09 4.85 3.85 -0.82 -0.94 116.55 123.18 1dui n ASP 181 Ca -0.05 -0.88 0.19 0.00 -0.71 0.00 0.00 54.79 53.34 1dui n ASP 181 Cb 0.64 0.00 0.73 0.00 -1.35 0.00 0.00 41.12 41.14 1dui n ASP 181 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1dui h SER 182 N 0.00 0.00 -0.48 -1.12 0.02 -1.90 -0.89 113.55 109.19 1dui h SER 182 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1dui h SER 182 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1dui h SER 182 CO 0.00 0.00 0.02 -1.20 -1.14 0.00 0.00 176.83 174.51 1dui n SER 183 N -4.12 5.03 -1.06 3.07 7.64 -1.26 -4.91 113.62 118.01 1dui n SER 183 Ca 0.06 -3.00 -0.12 0.00 1.01 0.00 0.00 58.87 56.83 1dui n SER 183 Cb 0.49 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 1dui n SER 183 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dui n ASN 184 N 0.16 -4.19 -4.80 6.43 4.13 -0.34 -5.01 115.26 111.64 1dui n ASN 184 Ca 0.27 0.18 -0.37 0.00 1.68 0.00 0.00 54.58 56.34 1dui n ASN 184 Cb 1.11 -2.98 -0.07 0.00 -1.54 0.00 0.00 39.78 36.31 1dui n ASN 184 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1dui s GLN 185 N -3.57 3.93 0.37 3.52 2.00 -1.26 -4.79 119.66 119.87 1dui s GLN 185 Ca 0.00 0.10 -0.28 0.00 -2.00 0.00 0.00 55.36 53.18 1dui s GLN 185 Cb 0.00 -3.30 -0.11 0.00 0.80 0.00 0.00 33.01 30.40 1dui s GLN 185 CO 0.00 0.52 1.46 0.50 -0.50 0.00 0.00 175.29 177.26 1dui s ARG 186 N -0.37 4.13 0.25 1.67 3.52 -1.26 -1.94 118.95 124.94 1dui s ARG 186 Ca 0.17 2.51 -0.30 0.00 -0.13 0.00 0.00 55.73 57.99 1dui s ARG 186 Cb -0.14 -2.97 -0.09 0.00 -1.56 0.00 0.00 34.95 30.20 1dui s ARG 186 CO 0.06 -0.50 1.04 0.00 -0.81 0.00 0.00 175.30 175.09 1dui s ALA 187 N -1.13 3.38 0.30 6.12 0.00 -0.97 -4.89 121.76 124.56 1dui s ALA 187 Ca 0.53 0.78 0.05 0.00 0.00 0.00 0.00 51.96 53.32 1dui s ALA 187 Cb -0.45 -3.28 0.74 0.00 0.00 0.00 0.00 23.12 20.12 1dui s ALA 187 CO 0.61 -0.03 1.74 0.66 0.00 0.00 0.00 175.76 178.75 1dui h SER 188 N 4.06 0.61 1.38 0.00 4.64 -1.93 -2.15 113.55 120.17 1dui h SER 188 Ca -0.46 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1dui h SER 188 Cb 1.21 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1dui h SER 188 CO 0.68 0.16 0.00 2.19 -0.87 0.00 0.00 176.83 178.99 1dui h PHE 189 N 0.61 0.00 -2.61 4.77 -5.15 -1.93 -3.39 116.94 109.25 1dui h PHE 189 Ca 0.57 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.81 1dui h PHE 189 Cb 0.98 0.00 0.02 0.00 0.22 0.00 0.00 35.95 37.17 1dui h PHE 189 CO -0.05 0.00 1.07 0.45 -2.00 0.00 0.00 178.31 177.78 1dui s SER 190 N -5.16 6.57 0.82 -0.68 0.15 -0.81 -1.51 113.70 113.08 1dui s SER 190 Ca 0.07 2.49 -0.13 0.00 0.70 0.00 0.00 55.95 59.07 1dui s SER 190 Cb 0.09 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1dui s SER 190 CO 0.57 -0.93 1.08 -1.20 1.20 0.00 0.00 173.24 173.95 1dui n SER 191 N 6.23 0.55 -4.21 5.45 7.64 0.39 -4.19 113.62 125.48 1dui n SER 191 Ca 0.17 0.56 -0.12 0.00 1.01 0.00 0.00 58.87 60.49 1dui n SER 191 Cb 0.41 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.05 1dui n SER 191 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1dui s VAL 192 N -2.16 0.50 0.00 0.44 -7.23 -1.26 -4.88 120.40 105.82 1dui s VAL 192 Ca 0.71 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1dui s VAL 192 Cb -0.29 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1dui s VAL 192 CO 0.53 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1dui n GLY 193 N -0.19 3.44 0.27 2.32 0.00 -0.96 0.27 105.19 110.33 1dui n GLY 193 Ca -0.06 -1.53 0.18 0.00 0.00 0.00 0.00 46.02 44.61 1dui n GLY 193 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dui h PRO 194 N 0.00 0.00 -0.00 1.61 0.13 -1.90 -2.84 132.00 129.00 1dui h PRO 194 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1dui h PRO 194 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1dui h PRO 194 CO 0.00 0.00 -0.10 0.39 -0.23 0.00 0.00 178.00 178.06 1dui n GLU 195 N -2.89 0.81 -2.06 0.86 4.71 -1.26 -4.83 120.64 115.98 1dui n GLU 195 Ca -0.01 -0.30 -0.42 0.00 -0.01 0.00 0.00 57.16 56.43 1dui n GLU 195 Cb 0.19 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.10 1dui n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1dui s LEU 196 N -2.39 4.36 -0.22 -4.62 2.96 -1.07 -4.44 118.68 113.27 1dui s LEU 196 Ca 0.31 2.43 -0.05 0.00 -0.22 0.00 0.00 54.13 56.59 1dui s LEU 196 Cb 0.20 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 43.19 1dui s LEU 196 CO 0.46 -0.75 -0.24 0.47 -1.32 0.00 0.00 176.35 174.97 1dui n ASP 197 N 4.32 1.96 -4.07 3.68 9.92 0.57 -4.46 116.55 128.46 1dui n ASP 197 Ca 0.13 0.09 -0.10 0.00 -0.53 0.00 0.00 54.79 54.38 1dui n ASP 197 Cb 0.41 -0.50 -0.07 0.00 -0.64 0.00 0.00 41.12 40.32 1dui n ASP 197 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1dui s VAL 198 N -2.41 0.00 0.28 2.53 -7.23 -1.07 -0.58 120.40 111.92 1dui s VAL 198 Ca -0.30 -1.62 0.10 0.00 -1.81 0.00 0.00 61.98 58.35 1dui s VAL 198 Cb 0.10 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1dui s VAL 198 CO 0.44 -0.01 -0.14 -0.04 -0.31 0.00 0.00 175.10 175.04 1dui s MET 199 N -4.07 1.61 0.19 4.82 1.00 0.16 -1.41 119.30 121.61 1dui s MET 199 Ca 0.28 -1.77 -0.19 0.00 0.00 0.00 0.00 55.69 54.02 1dui s MET 199 Cb 0.02 -1.51 0.03 0.00 0.00 0.00 0.00 34.83 33.37 1dui s MET 199 CO 0.10 0.21 0.54 0.00 0.00 0.00 0.00 175.02 175.87 1dui s ALA 200 N -2.72 -1.06 0.39 3.03 0.00 -0.48 -3.00 121.76 117.92 1dui s ALA 200 Ca 0.29 -0.09 -0.27 0.00 0.00 0.00 0.00 51.96 51.88 1dui s ALA 200 Cb -0.01 0.84 -0.10 0.00 0.00 0.00 0.00 23.12 23.86 1dui s ALA 200 CO 0.13 -0.80 1.37 -2.14 0.00 0.00 0.00 175.76 174.32 1dui s PRO 201 N -3.85 4.03 0.00 0.00 0.02 -1.26 -0.36 135.00 133.58 1dui s PRO 201 Ca 0.07 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1dui s PRO 201 Cb -0.01 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.65 1dui s PRO 201 CO -0.05 -0.50 0.53 0.41 -0.33 0.00 0.00 177.00 177.07 1dui n GLY 202 N 0.63 0.57 3.37 0.52 0.00 -0.12 -3.23 105.19 106.93 1dui n GLY 202 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1dui n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dui s VAL 203 N 0.00 3.95 -1.34 1.61 1.01 -1.24 0.13 120.40 124.52 1dui s VAL 203 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1dui s VAL 203 Cb 0.00 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 1dui s VAL 203 CO 0.00 0.26 0.57 -1.20 0.00 0.00 0.00 175.10 174.73 1dui n SER 204 N 4.87 -1.04 -4.69 3.32 7.64 -1.03 -4.83 113.62 117.86 1dui n SER 204 Ca -0.16 -0.92 -0.41 0.00 1.01 0.00 0.00 58.87 58.39 1dui n SER 204 Cb 0.50 -3.56 -0.04 0.00 -1.01 0.00 0.00 64.21 60.10 1dui n SER 204 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1dui s ILE 205 N -3.79 4.95 -0.08 0.44 -1.09 0.03 -4.69 121.20 116.97 1dui s ILE 205 Ca 0.03 1.58 -0.16 0.00 -2.23 0.00 0.00 60.65 59.87 1dui s ILE 205 Cb -0.01 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1dui s ILE 205 CO 0.85 0.13 0.42 0.00 -1.23 0.00 0.00 174.94 175.12 1dui s SER 207 N -0.00 0.09 0.67 0.00 0.15 0.94 -2.89 113.70 112.65 1dui s SER 207 Ca 0.24 -1.15 -0.16 0.00 0.70 0.00 0.00 55.95 55.58 1dui s SER 207 Cb -0.15 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1dui s SER 207 CO 0.10 -1.61 1.19 0.42 1.20 0.00 0.00 173.24 174.53 1dui s THR 208 N -2.54 2.62 0.18 6.45 -4.23 -1.26 -0.73 115.64 116.12 1dui s THR 208 Ca 0.17 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 1dui s THR 208 Cb -0.05 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1dui s THR 208 CO 0.12 -0.14 0.05 -0.76 -0.54 0.00 0.00 174.62 173.35 1dui s LEU 209 N -4.71 1.79 0.34 4.79 1.43 -0.40 -2.54 118.68 119.38 1dui s LEU 209 Ca 0.74 -1.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.31 1dui s LEU 209 Cb -0.28 0.14 -0.10 0.00 0.03 0.00 0.00 46.19 45.98 1dui s LEU 209 CO 0.40 -0.69 1.29 -2.84 0.23 0.00 0.00 176.35 174.74 1dui s PRO 210 N -4.01 4.32 0.00 1.29 0.02 -1.26 -3.49 135.00 131.86 1dui s PRO 210 Ca 0.28 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1dui s PRO 210 Cb 0.07 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.56 1dui s PRO 210 CO 0.06 -0.20 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 1dui n GLY 211 N 0.80 -0.36 2.70 0.52 0.00 -1.26 -4.29 105.19 103.30 1dui n GLY 211 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 1dui n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dui n ASN 212 N -0.77 0.10 -4.67 1.61 2.85 -1.26 -4.84 115.26 108.28 1dui n ASN 212 Ca 0.00 -0.14 -0.27 0.00 -0.11 0.00 0.00 54.58 54.05 1dui n ASN 212 Cb 0.31 -0.18 -0.10 0.00 1.24 0.00 0.00 39.78 41.05 1dui n ASN 212 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1dui s LYS 213 N -3.48 2.06 0.02 1.20 1.02 -1.23 -5.02 119.74 114.31 1dui s LYS 213 Ca 0.00 -2.05 -0.01 0.00 0.02 0.00 0.00 55.97 53.93 1dui s LYS 213 Cb -0.00 -1.74 -0.02 0.00 -0.52 0.00 0.00 37.83 35.55 1dui s LYS 213 CO 0.11 -0.10 -0.02 0.71 -0.92 0.00 0.00 175.35 175.14 1dui s TYR 214 N -2.69 0.27 -0.10 3.18 2.02 -1.26 -1.28 117.35 117.49 1dui s TYR 214 Ca 0.35 -0.55 -0.32 0.00 -0.37 0.00 0.00 57.07 56.18 1dui s TYR 214 Cb 0.07 -0.20 0.12 0.00 -0.40 0.00 0.00 41.96 41.56 1dui s TYR 214 CO 0.18 -0.22 1.04 0.20 -1.57 0.00 0.00 175.55 175.19 1dui s GLY 215 N -1.60 -0.38 0.20 0.71 0.00 0.09 -4.86 107.32 101.48 1dui s GLY 215 Ca -0.14 1.31 0.07 0.00 0.00 0.00 0.00 44.72 45.96 1dui s GLY 215 CO -0.02 0.44 0.09 0.00 0.00 0.00 0.00 173.10 173.61 1dui s ALA 216 N -2.76 3.42 0.14 3.20 0.00 -1.25 -0.04 121.76 124.46 1dui s ALA 216 Ca 0.07 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.53 1dui s ALA 216 Cb -0.01 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.96 1dui s ALA 216 CO -0.07 0.42 0.40 0.15 0.00 0.00 0.00 175.76 176.66 1dui s LYS 217 N -3.26 1.11 0.06 0.00 1.02 -0.35 -4.84 119.74 113.49 1dui s LYS 217 Ca 0.30 -0.79 0.07 0.00 0.02 0.00 0.00 55.97 55.58 1dui s LYS 217 Cb -0.09 0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 37.65 1dui s LYS 217 CO 0.22 -0.44 -0.20 -1.12 -0.92 0.00 0.00 175.35 172.89 1dui s SER 218 N -2.83 2.46 0.00 2.83 0.01 -1.26 -0.79 113.70 114.12 1dui s SER 218 Ca 0.05 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1dui s SER 218 Cb 0.02 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1dui s SER 218 CO -0.09 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1dui n GLY 219 N 1.59 3.59 0.08 3.44 0.00 0.12 -4.85 105.19 109.16 1dui n GLY 219 Ca -0.18 -1.06 0.10 0.00 0.00 0.00 0.00 46.02 44.88 1dui n GLY 219 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dui n THR 220 N -1.32 0.94 0.29 2.61 -2.24 -1.26 -1.70 114.28 111.60 1dui n THR 220 Ca 0.00 0.27 0.16 0.00 -2.27 0.00 0.00 64.05 62.21 1dui n THR 220 Cb 0.00 -1.14 0.57 0.00 -2.10 0.00 0.00 70.33 67.66 1dui n THR 220 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1dui h SER 221 N 0.00 0.00 0.41 3.42 0.02 -1.89 -0.23 113.55 115.28 1dui h SER 221 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1dui h SER 221 Cb 0.29 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1dui h SER 221 CO 0.00 0.00 -1.76 0.23 -1.14 0.00 0.00 176.83 174.16 1dui n MET 222 N -3.00 0.64 0.02 3.45 2.81 -0.69 -4.15 117.12 116.21 1dui n MET 222 Ca 0.01 0.10 -0.18 0.00 -1.81 0.00 0.00 57.70 55.83 1dui n MET 222 Cb 0.34 -1.69 -0.14 0.00 -0.71 0.00 0.00 33.22 31.03 1dui n MET 222 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dui h ALA 223 N 1.39 -0.04 -0.71 3.04 0.00 -1.42 -3.36 119.26 118.15 1dui h ALA 223 Ca -0.24 -0.62 0.16 0.00 0.00 0.00 0.00 54.91 54.20 1dui h ALA 223 Cb 1.68 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.42 1dui h ALA 223 CO 0.04 0.28 0.08 1.03 0.00 0.00 0.00 179.25 180.67 1dui h SER 224 N -0.46 -0.18 0.57 0.00 0.87 -1.20 -2.17 113.55 110.98 1dui h SER 224 Ca -0.10 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1dui h SER 224 Cb 1.43 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1dui h SER 224 CO 0.11 -0.11 0.00 1.55 -0.53 0.00 0.00 176.83 177.85 1dui h PRO 225 N 0.17 0.00 0.00 2.24 0.13 -1.75 -1.22 132.00 131.58 1dui h PRO 225 Ca 0.39 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.27 1dui h PRO 225 Cb 0.67 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.82 1dui h PRO 225 CO -0.57 0.00 -1.01 0.45 -0.23 0.00 0.00 178.00 176.64 1dui h HIS 226 N 0.00 0.89 -0.03 1.56 3.86 -1.57 0.28 115.15 120.15 1dui h HIS 226 Ca 0.00 -0.49 -0.14 0.00 -1.16 0.00 0.00 60.37 58.58 1dui h HIS 226 Cb 0.28 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1dui h HIS 226 CO 0.00 1.32 -0.64 0.28 0.86 0.00 0.00 177.93 179.74 1dui h VAL 227 N 0.34 1.43 0.01 2.45 2.07 -1.17 -0.30 116.25 121.09 1dui h VAL 227 Ca -0.11 -2.14 -0.07 0.00 0.82 0.00 0.00 66.70 65.20 1dui h VAL 227 Cb 1.66 2.13 0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1dui h VAL 227 CO 0.19 0.62 -0.26 0.00 0.02 0.00 0.00 177.57 178.14 1dui h ALA 228 N 1.26 0.01 -0.83 1.67 0.00 -1.34 -2.67 119.26 117.37 1dui h ALA 228 Ca -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1dui h ALA 228 Cb 1.15 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1dui h ALA 228 CO 0.09 0.10 0.55 0.78 0.00 0.00 0.00 179.25 180.77 1dui h GLY 229 N -0.57 1.17 0.84 0.00 0.00 -0.46 -1.94 103.07 102.10 1dui h GLY 229 Ca -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.91 1dui h GLY 229 CO 0.05 0.40 0.63 0.00 0.00 0.00 0.00 176.54 177.62 1dui h ALA 230 N 1.50 1.30 -0.09 3.60 0.00 -1.00 -0.89 119.26 123.68 1dui h ALA 230 Ca 0.32 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1dui h ALA 230 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1dui h ALA 230 CO -0.08 0.49 -0.37 0.00 0.00 0.00 0.00 179.25 179.29 1dui h ALA 231 N 1.41 1.21 -0.07 0.00 0.00 -1.12 -0.48 119.26 120.20 1dui h ALA 231 Ca 0.40 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1dui h ALA 231 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dui h ALA 231 CO -0.14 0.54 -0.58 0.00 0.00 0.00 0.00 179.25 179.07 1dui h ALA 232 N 1.46 0.89 -0.14 0.00 0.00 -0.43 -1.41 119.26 119.62 1dui h ALA 232 Ca 0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1dui h ALA 232 Cb 0.73 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1dui h ALA 232 CO 0.06 0.71 -0.07 -0.07 0.00 0.00 0.00 179.25 179.88 1dui h LEU 233 N 0.17 0.31 -1.30 0.00 3.38 -0.64 -2.44 115.31 114.78 1dui h LEU 233 Ca -0.00 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1dui h LEU 233 Cb 1.07 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1dui h LEU 233 CO 0.09 0.65 0.52 0.40 0.09 0.00 0.00 178.44 180.19 1dui h ILE 234 N -0.03 1.01 -0.20 1.22 2.04 -1.07 -2.44 117.51 118.03 1dui h ILE 234 Ca 0.03 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1dui h ILE 234 Cb 0.53 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1dui h ILE 234 CO 0.02 0.15 -0.05 -0.07 0.00 0.00 0.00 178.15 178.20 1dui h LEU 235 N 0.82 0.39 -2.52 1.44 3.38 -1.06 -1.04 115.31 116.71 1dui h LEU 235 Ca 0.35 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1dui h LEU 235 Cb 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1dui h LEU 235 CO -0.13 0.67 0.14 0.77 0.09 0.00 0.00 178.44 179.98 1dui h SER 236 N 0.11 0.00 0.21 -0.43 4.64 -0.99 0.37 113.55 117.46 1dui h SER 236 Ca 0.05 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.10 1dui h SER 236 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 1dui h SER 236 CO 0.02 0.00 -2.05 1.17 -0.87 0.00 0.00 176.83 175.10 1dui n LYS 237 N -3.21 0.66 -3.32 4.77 4.81 -0.99 -4.62 118.16 116.26 1dui n LYS 237 Ca -0.02 0.06 -0.26 0.00 -0.87 0.00 0.00 58.31 57.23 1dui n LYS 237 Cb 0.21 -1.62 -0.09 0.00 0.02 0.00 0.00 35.03 33.56 1dui n LYS 237 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1dui n HIS 238 N -2.76 -0.41 0.23 5.64 8.25 0.14 -4.95 115.22 121.35 1dui n HIS 238 Ca -0.22 -3.47 0.07 0.00 -0.26 0.00 0.00 57.72 53.83 1dui n HIS 238 Cb 1.01 -0.06 0.34 0.00 1.12 0.00 0.00 29.99 32.41 1dui n HIS 238 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1dui n PRO 239 N 2.12 0.08 -0.05 -0.41 -0.04 0.11 -1.35 135.00 135.46 1dui n PRO 239 Ca 0.26 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1dui n PRO 239 Cb 0.50 -1.72 0.22 0.00 -0.04 0.00 0.00 33.50 32.45 1dui n PRO 239 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1dui n ASN 240 N -1.89 2.78 -4.77 3.54 4.13 -1.26 -4.92 115.26 112.87 1dui n ASN 240 Ca 0.01 -1.90 -0.37 0.00 1.68 0.00 0.00 54.58 54.00 1dui n ASN 240 Cb 0.09 -0.07 -0.02 0.00 -1.54 0.00 0.00 39.78 38.24 1dui n ASN 240 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1dui s TRP 241 N -1.86 3.07 0.71 3.10 0.52 -0.45 -5.02 118.94 119.01 1dui s TRP 241 Ca 0.33 1.58 -0.08 0.00 0.02 0.00 0.00 56.10 57.95 1dui s TRP 241 Cb 0.21 -3.28 0.06 0.00 -1.15 0.00 0.00 33.47 29.30 1dui s TRP 241 CO 0.31 -1.11 1.04 0.95 0.02 0.00 0.00 176.95 178.15 1dui s THR 242 N -1.56 2.47 0.26 2.01 -4.23 -1.26 -4.85 115.64 108.48 1dui s THR 242 Ca 0.60 -0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.92 1dui s THR 242 Cb -0.26 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 70.75 1dui s THR 242 CO 0.33 -0.10 1.93 -0.55 -0.54 0.00 0.00 174.62 175.69 1dui h ASN 243 N -0.64 1.11 -0.36 3.99 -1.07 -1.91 0.19 115.58 116.90 1dui h ASN 243 Ca -0.45 -0.03 0.03 0.00 0.07 0.00 0.00 56.30 55.92 1dui h ASN 243 Cb 1.31 -0.28 -0.02 0.00 -2.07 0.00 0.00 38.32 37.26 1dui h ASN 243 CO 0.62 0.81 0.24 0.74 0.07 0.00 0.00 177.43 179.91 1dui h THR 244 N 1.31 1.01 0.17 6.14 2.02 -1.92 0.86 112.91 122.49 1dui h THR 244 Ca 0.35 -0.12 -0.30 0.00 0.77 0.00 0.00 66.41 67.11 1dui h THR 244 Cb -0.14 0.63 0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1dui h THR 244 CO -0.07 0.06 -1.31 1.56 0.37 0.00 0.00 175.52 176.13 1dui h GLN 245 N 0.35 0.44 -0.07 6.66 4.20 -1.11 -2.08 115.11 123.52 1dui h GLN 245 Ca 0.15 -0.70 -0.00 0.00 0.06 0.00 0.00 58.65 58.15 1dui h GLN 245 Cb 0.15 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1dui h GLN 245 CO -0.03 1.32 0.02 0.28 -0.67 0.00 0.00 178.83 179.76 1dui h VAL 246 N 0.15 1.15 -0.74 -0.54 2.07 0.03 -2.45 116.25 115.92 1dui h VAL 246 Ca -0.19 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1dui h VAL 246 Cb 2.01 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 1dui h VAL 246 CO 0.24 0.13 0.23 -0.09 0.02 0.00 0.00 177.57 178.09 1dui h ARG 247 N -0.06 1.15 -0.53 1.57 2.43 -0.94 -2.28 114.38 115.71 1dui h ARG 247 Ca 0.02 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 1dui h ARG 247 Cb 0.18 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1dui h ARG 247 CO -0.00 0.98 0.19 0.77 -1.51 0.00 0.00 179.97 180.40 1dui h SER 248 N 1.09 0.71 0.05 -3.80 0.02 -1.15 -1.72 113.55 108.75 1dui h SER 248 Ca 0.24 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 1dui h SER 248 Cb 0.31 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1dui h SER 248 CO -0.01 0.65 -0.33 0.77 -1.14 0.00 0.00 176.83 176.77 1dui h SER 249 N 0.76 0.42 -0.35 3.07 4.64 -1.14 0.27 113.55 121.22 1dui h SER 249 Ca 0.18 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1dui h SER 249 Cb 0.18 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1dui h SER 249 CO -0.01 0.73 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.54 1dui h LEU 250 N 0.35 0.67 0.00 5.97 3.38 -0.82 -2.62 115.31 122.24 1dui h LEU 250 Ca 0.04 -0.36 -0.18 0.00 0.09 0.00 0.00 57.88 57.48 1dui h LEU 250 Cb 0.76 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1dui h LEU 250 CO 0.06 0.87 -0.92 -0.33 0.09 0.00 0.00 178.44 178.21 1dui h GLU 251 N 0.47 0.00 -0.00 1.13 5.08 -0.92 -3.23 114.58 117.11 1dui h GLU 251 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1dui h GLU 251 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1dui h GLU 251 CO 0.03 0.76 -0.02 0.09 -1.00 0.00 0.00 179.01 178.87 1dui n ASN 252 N -3.26 0.08 -0.27 1.42 3.02 0.92 -3.90 115.26 113.26 1dui n ASN 252 Ca -0.01 -0.38 0.06 0.00 -0.03 0.00 0.00 54.58 54.22 1dui n ASN 252 Cb 0.88 -0.20 0.09 0.00 -0.61 0.00 0.00 39.78 39.94 1dui n ASN 252 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1dui n THR 253 N -1.17 1.17 -1.10 3.41 -2.24 -0.99 -5.02 114.28 108.33 1dui n THR 253 Ca 0.16 -1.44 -0.30 0.00 -2.27 0.00 0.00 64.05 60.21 1dui n THR 253 Cb 0.22 0.05 0.15 0.00 -2.10 0.00 0.00 70.33 68.66 1dui n THR 253 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1dui s THR 254 N -1.78 2.58 -0.25 4.28 -4.23 -1.25 -4.13 115.64 110.86 1dui s THR 254 Ca 0.20 0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.72 1dui s THR 254 Cb 0.18 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1dui s THR 254 CO 0.01 -0.25 0.53 -0.89 -0.54 0.00 0.00 174.62 173.48 1dui s THR 255 N -2.86 5.06 0.36 3.99 2.01 0.81 -4.84 115.64 120.17 1dui s THR 255 Ca 0.64 0.91 -0.28 0.00 0.31 0.00 0.00 61.69 63.28 1dui s THR 255 Cb -0.19 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.38 1dui s THR 255 CO 0.58 0.09 1.34 -0.54 -0.69 0.00 0.00 174.62 175.40 1dui s LYS 256 N 2.25 4.20 0.00 4.92 -0.14 -1.26 -1.16 119.74 128.55 1dui s LYS 256 Ca 0.22 2.28 0.00 0.00 -1.36 0.00 0.00 55.97 57.11 1dui s LYS 256 Cb -0.16 -2.97 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 1dui s LYS 256 CO 0.09 -0.34 0.00 1.28 -0.76 0.00 0.00 175.35 175.62 1dui n LEU 257 N 0.55 0.00 0.00 3.17 4.77 -1.26 -4.88 117.00 119.35 1dui n LEU 257 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1dui n LEU 257 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1dui n LEU 257 CO 0.59 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1dui n GLY 258 N 4.79 -0.29 3.62 -0.72 0.00 -1.26 -5.02 105.19 106.31 1dui n GLY 258 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 1dui n GLY 258 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dui s ASN 259 N -1.00 2.37 0.26 1.61 3.84 -1.26 -4.65 114.94 116.11 1dui s ASN 259 Ca 0.00 1.86 0.09 0.00 0.21 0.00 0.00 52.86 55.03 1dui s ASN 259 Cb 0.00 -2.43 0.32 0.00 -0.55 0.00 0.00 41.25 38.59 1dui s ASN 259 CO 0.00 -3.39 1.59 0.77 -2.79 0.00 0.00 177.10 173.28 1dui h SER 260 N -2.07 0.05 -0.16 -4.21 4.64 -1.94 -1.91 113.55 107.95 1dui h SER 260 Ca -0.50 -0.03 0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1dui h SER 260 Cb 1.29 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1dui h SER 260 CO 0.46 0.66 0.11 0.15 -0.87 0.00 0.00 176.83 177.35 1dui h PHE 261 N 0.03 0.12 0.00 4.77 3.04 -1.87 -1.06 116.94 121.97 1dui h PHE 261 Ca -0.01 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 1dui h PHE 261 Cb 1.11 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.55 1dui h PHE 261 CO 0.00 0.07 -2.13 0.66 -2.02 0.00 0.00 178.31 174.90 1dui n TYR 262 N -4.51 0.00 -0.08 0.41 4.01 -1.01 -2.28 117.16 113.71 1dui n TYR 262 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1dui n TYR 262 Cb 0.15 -0.71 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 1dui n TYR 262 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1dui n TYR 263 N -2.47 0.00 -4.40 -0.72 4.01 -0.75 -4.92 117.16 107.91 1dui n TYR 263 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1dui n TYR 263 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 1dui n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dui n GLY 264 N 0.46 1.26 0.05 2.72 0.00 -0.41 -2.12 105.19 107.15 1dui n GLY 264 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.42 1dui n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dui n LYS 265 N 11.22 0.11 0.00 1.61 4.76 0.26 -4.24 118.16 131.88 1dui n LYS 265 Ca 0.00 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1dui n LYS 265 Cb 0.00 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 1dui n LYS 265 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dui n GLY 266 N 1.28 -0.11 3.77 0.72 0.00 -0.90 -4.23 105.19 105.71 1dui n GLY 266 Ca 0.06 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 1dui n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dui s LEU 267 N 0.00 4.60 0.36 0.99 2.96 -0.31 -0.66 118.68 126.62 1dui s LEU 267 Ca 0.00 1.74 -0.26 0.00 -0.22 0.00 0.00 54.13 55.39 1dui s LEU 267 Cb 0.00 -3.40 -0.09 0.00 0.50 0.00 0.00 46.19 43.20 1dui s LEU 267 CO 0.00 0.18 1.09 0.27 -1.32 0.00 0.00 176.35 176.57 1dui s ILE 268 N -1.07 3.50 -0.36 6.68 -4.36 -1.16 0.28 121.20 124.72 1dui s ILE 268 Ca 0.38 1.30 0.03 0.00 -0.26 0.00 0.00 60.65 62.09 1dui s ILE 268 Cb -0.24 -3.74 0.11 0.00 1.25 0.00 0.00 42.46 39.84 1dui s ILE 268 CO 0.28 0.15 0.10 0.21 0.24 0.00 0.00 174.94 175.91 1dui s ASN 269 N -1.23 4.45 0.09 4.36 3.84 -1.26 -4.53 114.94 120.66 1dui s ASN 269 Ca 0.53 -2.13 -0.20 0.00 0.21 0.00 0.00 52.86 51.27 1dui s ASN 269 Cb -0.27 -1.38 -0.09 0.00 -0.55 0.00 0.00 41.25 38.96 1dui s ASN 269 CO 0.35 -0.37 1.58 1.62 -2.79 0.00 0.00 177.10 177.49 1dui h VAL 270 N 6.38 1.21 -0.93 -5.21 3.04 -0.52 -0.97 116.25 119.24 1dui h VAL 270 Ca -0.07 -0.67 0.27 0.00 -1.01 0.00 0.00 66.70 65.22 1dui h VAL 270 Cb 1.00 1.25 -0.15 0.00 -2.01 0.00 0.00 31.29 31.38 1dui h VAL 270 CO 0.52 0.21 0.35 -0.61 -1.01 0.00 0.00 177.57 177.04 1dui h GLN 271 N 0.16 0.22 -0.07 4.17 4.15 -1.73 0.34 115.11 122.36 1dui h GLN 271 Ca 0.07 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.24 1dui h GLN 271 Cb 0.27 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.92 1dui h GLN 271 CO 0.00 0.15 -0.89 0.00 -1.93 0.00 0.00 178.83 176.16 1dui h ALA 272 N 1.83 0.30 -0.64 3.38 0.00 -1.86 -3.16 119.26 119.12 1dui h ALA 272 Ca 0.63 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1dui h ALA 272 Cb 1.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1dui h ALA 272 CO -0.66 0.72 0.33 0.00 0.00 0.00 0.00 179.25 179.65 1dui h ALA 273 N 0.60 0.82 0.00 0.00 0.00 0.42 -2.66 119.26 118.44 1dui h ALA 273 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1dui h ALA 273 Cb 1.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1dui h ALA 273 CO 0.17 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1dui h ALA 274 N 1.16 1.00 0.00 0.00 0.00 -1.33 -3.45 119.26 116.64 1dui h ALA 274 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dui h ALA 274 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dui h ALA 274 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.26