#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sue s LYS 2 N 0.00 2.24 0.15 0.00 -2.85 -1.26 -5.00 119.74 113.02 1sue s LYS 2 Ca 0.00 -1.45 -0.11 0.00 -1.00 0.00 0.00 55.97 53.40 1sue s LYS 2 Cb 0.00 0.62 0.00 0.00 -2.06 0.00 0.00 37.83 36.40 1sue s LYS 2 CO 0.00 -1.05 0.32 0.00 0.10 0.00 0.00 175.35 174.73 1sue s VAL 4 N -3.92 -0.00 0.49 0.00 0.11 -1.26 -4.80 120.40 111.02 1sue s VAL 4 Ca 0.12 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.95 1sue s VAL 4 Cb 0.03 -0.38 -0.07 0.00 -1.53 0.00 0.00 36.38 34.43 1sue s VAL 4 CO -0.04 0.01 1.39 -1.54 -3.33 0.00 0.00 175.10 171.59 1sue n SER 5 N 3.09 2.99 0.29 3.54 3.41 -1.22 -4.80 113.62 120.92 1sue n SER 5 Ca -0.14 1.05 0.19 0.00 -0.26 0.00 0.00 58.87 59.71 1sue n SER 5 Cb 0.58 -1.59 0.82 0.00 -0.26 0.00 0.00 64.21 63.76 1sue n SER 5 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1sue h TYR 6 N 1.88 0.00 0.00 7.33 -0.00 -1.93 -2.39 116.97 121.87 1sue h TYR 6 Ca -0.51 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.18 1sue h TYR 6 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.01 1sue h TYR 6 CO 0.48 0.00 -0.20 0.78 -0.00 0.00 0.00 178.16 179.22 1sue h GLY 7 N 1.51 0.00 0.97 0.10 0.00 -1.95 -1.99 103.07 101.72 1sue h GLY 7 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sue h GLY 7 CO 0.00 0.00 0.19 -2.08 0.00 0.00 0.00 176.54 174.65 1sue h VAL 8 N 0.00 1.12 0.00 4.60 2.07 -1.79 -1.90 116.25 120.36 1sue h VAL 8 Ca -0.00 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1sue h VAL 8 Cb 0.54 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1sue h VAL 8 CO 0.03 0.13 -0.64 0.28 0.02 0.00 0.00 177.57 177.38 1sue h SER 9 N 0.42 0.00 -0.65 0.57 0.02 -1.63 -2.40 113.55 109.88 1sue h SER 9 Ca 0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1sue h SER 9 Cb 0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1sue h SER 9 CO -0.02 0.64 0.31 -0.61 -1.14 0.00 0.00 176.83 176.01 1sue h GLN 10 N 0.00 0.97 -0.26 3.45 4.15 -1.04 -1.39 115.11 120.99 1sue h GLN 10 Ca -0.01 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1sue h GLN 10 Cb 1.23 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1sue h GLN 10 CO 0.08 0.75 0.00 0.44 -1.93 0.00 0.00 178.83 178.18 1sue n ILE 11 N -4.33 0.33 -1.95 2.39 -5.35 -0.74 -4.91 119.36 104.80 1sue n ILE 11 Ca 0.06 -0.44 -0.07 0.00 -0.27 0.00 0.00 62.75 62.04 1sue n ILE 11 Cb 0.14 0.39 -0.01 0.00 -1.74 0.00 0.00 39.64 38.42 1sue n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1sue n LYS 12 N 0.53 -0.52 0.12 6.28 5.02 -0.52 -0.93 118.16 128.14 1sue n LYS 12 Ca 0.15 0.40 -0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1sue n LYS 12 Cb 0.35 -4.25 0.28 0.00 -0.02 0.00 0.00 35.03 31.39 1sue n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sue h ALA 13 N 0.26 1.23 -0.11 7.82 0.00 -1.65 -3.09 119.26 123.72 1sue h ALA 13 Ca -0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1sue h ALA 13 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1sue h ALA 13 CO 0.19 0.53 -0.00 -1.35 0.00 0.00 0.00 179.25 178.62 1sue h PRO 14 N 0.15 0.15 -0.83 0.00 0.11 -1.90 0.07 132.00 129.75 1sue h PRO 14 Ca 0.02 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1sue h PRO 14 Cb 0.72 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1sue h PRO 14 CO 0.05 0.17 0.49 0.00 -0.21 0.00 0.00 178.00 178.50 1sue h ALA 15 N 1.85 1.29 0.03 -0.75 0.00 -1.93 0.17 119.26 119.93 1sue h ALA 15 Ca 0.04 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1sue h ALA 15 Cb 0.11 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.59 1sue h ALA 15 CO 0.00 0.60 -0.99 -0.07 0.00 0.00 0.00 179.25 178.79 1sue h LEU 16 N 1.15 0.81 -0.57 0.00 3.38 -1.22 -2.79 115.31 116.08 1sue h LEU 16 Ca 0.30 -0.77 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1sue h LEU 16 Cb -0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1sue h LEU 16 CO -0.05 1.49 0.31 0.45 0.09 0.00 0.00 178.44 180.72 1sue h HIS 17 N 0.24 0.57 0.00 1.13 3.86 -0.77 0.22 115.15 120.39 1sue h HIS 17 Ca -0.13 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1sue h HIS 17 Cb 1.67 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.96 1sue h HIS 17 CO 0.12 0.29 -0.01 0.66 0.86 0.00 0.00 177.93 179.85 1sue h SER 18 N 0.59 0.00 -0.37 2.45 4.64 -0.52 0.12 113.55 120.46 1sue h SER 18 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1sue h SER 18 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1sue h SER 18 CO -0.15 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.82 1sue n GLN 19 N -3.15 2.15 -0.81 4.77 6.02 -0.72 -4.92 117.38 120.72 1sue n GLN 19 Ca -0.02 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 1sue n GLN 19 Cb 0.15 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1sue n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sue n GLY 20 N 1.32 0.50 3.27 1.08 0.00 0.41 -5.03 105.19 106.75 1sue n GLY 20 Ca 0.18 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 1sue n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sue s TYR 21 N -2.00 3.10 -0.02 1.61 2.02 0.68 -4.91 117.35 117.84 1sue s TYR 21 Ca 0.00 -1.25 0.03 0.00 -0.37 0.00 0.00 57.07 55.47 1sue s TYR 21 Cb 0.00 -2.15 0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1sue s TYR 21 CO 0.00 -0.65 0.82 0.25 -1.57 0.00 0.00 175.55 174.40 1sue n THR 22 N 4.77 0.44 -0.33 -0.71 -2.24 -1.26 -2.88 114.28 112.07 1sue n THR 22 Ca -0.16 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1sue n THR 22 Cb 0.48 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1sue n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sue n GLY 23 N -0.28 0.84 3.76 3.38 0.00 -1.26 -0.31 105.19 111.30 1sue n GLY 23 Ca 0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1sue n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sue n SER 24 N 0.02 3.78 -1.03 1.61 7.64 -1.25 -1.90 113.62 122.50 1sue n SER 24 Ca 0.00 1.18 -0.13 0.00 1.01 0.00 0.00 58.87 60.93 1sue n SER 24 Cb 0.00 -1.60 -0.05 0.00 -1.01 0.00 0.00 64.21 61.55 1sue n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1sue n ASN 25 N 1.39 -4.57 -4.55 6.43 4.13 -1.26 -4.70 115.26 112.14 1sue n ASN 25 Ca 0.05 0.31 -0.34 0.00 1.68 0.00 0.00 54.58 56.29 1sue n ASN 25 Cb 0.37 -3.25 -0.11 0.00 -1.54 0.00 0.00 39.78 35.26 1sue n ASN 25 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1sue s VAL 26 N -2.50 3.99 -0.26 2.41 1.01 -0.80 -4.98 120.40 119.28 1sue s VAL 26 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 1sue s VAL 26 Cb 0.00 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1sue s VAL 26 CO 0.00 0.53 0.21 -0.54 0.00 0.00 0.00 175.10 175.30 1sue s LYS 27 N -0.03 4.01 -0.16 2.72 1.02 -1.26 -0.72 119.74 125.32 1sue s LYS 27 Ca 0.02 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 55.79 1sue s LYS 27 Cb -0.13 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.57 1sue s LYS 27 CO 0.02 -0.10 -0.18 0.08 -0.92 0.00 0.00 175.35 174.25 1sue s VAL 28 N 1.52 2.37 -0.19 3.17 1.01 -0.20 -1.01 120.40 127.08 1sue s VAL 28 Ca 0.09 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1sue s VAL 28 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1sue s VAL 28 CO 0.08 0.53 0.38 0.00 0.00 0.00 0.00 175.10 176.09 1sue s ALA 29 N 0.93 3.56 -0.59 5.51 0.00 0.27 -0.58 121.76 130.85 1sue s ALA 29 Ca -0.04 -0.49 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 1sue s ALA 29 Cb -0.15 -2.57 0.15 0.00 0.00 0.00 0.00 23.12 20.54 1sue s ALA 29 CO -0.03 -0.19 0.54 0.08 0.00 0.00 0.00 175.76 176.16 1sue s VAL 30 N 1.06 5.21 -0.65 0.00 1.01 -0.13 -1.19 120.40 125.71 1sue s VAL 30 Ca 0.19 -1.70 -0.26 0.00 0.00 0.00 0.00 61.98 60.20 1sue s VAL 30 Cb -0.14 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 31.95 1sue s VAL 30 CO 0.07 -0.89 1.17 -0.63 0.00 0.00 0.00 175.10 174.82 1sue s ILE 31 N 1.32 3.98 0.00 2.22 1.01 -0.33 -2.15 121.20 127.25 1sue s ILE 31 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1sue s ILE 31 Cb -0.26 -4.78 0.00 0.00 0.01 0.00 0.00 42.46 37.43 1sue s ILE 31 CO 0.01 -1.54 0.00 -0.67 0.00 0.00 0.00 174.94 172.74 1sue n ASP 32 N 8.61 0.49 -0.70 3.58 -0.08 0.14 -4.12 116.55 124.47 1sue n ASP 32 Ca 0.04 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.32 1sue n ASP 32 Cb 0.48 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.99 1sue n ASP 32 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1sue n SER 33 N 0.00 1.67 0.00 1.67 3.41 -1.26 -0.74 113.62 118.36 1sue n SER 33 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 1sue n SER 33 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1sue n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sue n GLY 34 N 0.09 0.35 2.74 5.00 0.00 -1.26 -4.45 105.19 107.66 1sue n GLY 34 Ca 0.04 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 43.84 1sue n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sue s ILE 35 N -1.14 -0.10 -0.75 -0.61 1.01 -0.64 -3.32 121.20 115.65 1sue s ILE 35 Ca 0.00 0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.72 1sue s ILE 35 Cb 0.00 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.33 1sue s ILE 35 CO 0.00 0.13 1.62 -0.62 0.00 0.00 0.00 174.94 176.08 1sue s ASP 36 N 1.68 5.72 0.00 3.58 2.15 -1.26 -3.68 116.67 124.86 1sue s ASP 36 Ca -0.02 -0.32 0.13 0.00 0.43 0.00 0.00 52.55 52.77 1sue s ASP 36 Cb -0.12 -2.55 0.60 0.00 -0.30 0.00 0.00 42.92 40.55 1sue s ASP 36 CO -0.03 -2.14 1.37 -1.54 -0.17 0.00 0.00 175.17 172.66 1sue n SER 37 N 11.28 0.00 0.27 -0.34 3.41 -1.14 -2.37 113.62 124.73 1sue n SER 37 Ca 0.19 0.29 0.17 0.00 -0.26 0.00 0.00 58.87 59.26 1sue n SER 37 Cb 0.50 -0.39 0.64 0.00 -0.26 0.00 0.00 64.21 64.70 1sue n SER 37 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1sue h SER 38 N 0.00 0.00 -2.38 4.04 4.64 -1.86 -3.44 113.55 114.56 1sue h SER 38 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1sue h SER 38 Cb 0.17 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.30 1sue h SER 38 CO 0.00 0.01 1.05 1.57 -0.87 0.00 0.00 176.83 178.58 1sue n HIS 39 N -3.10 2.51 -0.14 4.77 -0.00 -1.00 -4.82 115.22 113.44 1sue n HIS 39 Ca 0.01 -0.04 0.20 0.00 0.46 0.00 0.00 57.72 58.35 1sue n HIS 39 Cb 0.33 -2.68 0.60 0.00 -0.12 0.00 0.00 29.99 28.12 1sue n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1sue h PRO 40 N 8.12 0.21 -0.44 1.57 0.11 -1.92 -0.91 132.00 138.74 1sue h PRO 40 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sue h PRO 40 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sue h PRO 40 CO 0.94 0.14 0.00 -0.25 -0.21 0.00 0.00 178.00 178.61 1sue n ASP 41 N -4.41 2.67 -4.14 -2.05 8.00 -1.26 -4.83 116.55 110.53 1sue n ASP 41 Ca 0.15 -1.95 -0.28 0.00 0.71 0.00 0.00 54.79 53.42 1sue n ASP 41 Cb 0.68 -0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 41.32 1sue n ASP 41 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sue s LEU 42 N -1.16 1.91 -0.14 0.64 1.43 -0.35 -5.07 118.68 115.94 1sue s LEU 42 Ca 0.35 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1sue s LEU 42 Cb 0.19 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 45.28 1sue s LEU 42 CO 0.25 0.12 -0.22 0.20 0.23 0.00 0.00 176.35 176.93 1sue s ASN 43 N 0.36 3.14 -0.29 2.29 0.01 -1.26 -4.63 114.94 114.55 1sue s ASN 43 Ca -0.14 -0.59 -0.08 0.00 -0.71 0.00 0.00 52.86 51.34 1sue s ASN 43 Cb -0.16 -1.45 -0.01 0.00 0.41 0.00 0.00 41.25 40.05 1sue s ASN 43 CO 0.06 0.09 0.11 -0.69 -1.51 0.00 0.00 177.10 175.16 1sue s VAL 44 N 0.75 4.38 -0.35 1.60 1.01 -1.26 -4.10 120.40 122.42 1sue s VAL 44 Ca -0.09 -0.42 0.25 0.00 0.00 0.00 0.00 61.98 61.73 1sue s VAL 44 Cb -0.16 -3.19 0.35 0.00 0.00 0.00 0.00 36.38 33.38 1sue s VAL 44 CO -0.00 0.14 1.70 0.00 0.00 0.00 0.00 175.10 176.93 1sue h ALA 45 N 8.29 1.00 0.00 5.51 0.00 -1.04 -3.49 119.26 129.54 1sue h ALA 45 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1sue h ALA 45 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1sue h ALA 45 CO 0.60 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1sue n GLY 46 N 0.88 -1.11 0.00 0.00 0.00 -1.23 -5.02 105.19 98.70 1sue n GLY 46 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1sue n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sue n GLY 47 N 0.00 -0.51 3.54 -0.02 0.00 -1.26 -0.61 105.19 106.33 1sue n GLY 47 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 1sue n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sue s ALA 48 N -1.12 -1.84 -0.09 4.61 0.00 0.52 -4.90 121.76 118.94 1sue s ALA 48 Ca 0.00 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.35 1sue s ALA 48 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1sue s ALA 48 CO 0.00 -0.39 -0.11 0.45 0.00 0.00 0.00 175.76 175.71 1sue s SER 49 N -1.36 4.26 0.00 0.00 0.15 -1.26 -0.80 113.70 114.69 1sue s SER 49 Ca -0.04 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.46 1sue s SER 49 Cb -0.00 -1.25 0.07 0.00 -1.71 0.00 0.00 66.02 63.13 1sue s SER 49 CO 0.03 0.28 0.91 0.49 1.20 0.00 0.00 173.24 176.15 1sue n PHE 50 N 2.78 0.10 -2.94 3.44 3.72 0.37 -4.90 117.46 120.02 1sue n PHE 50 Ca -0.18 -0.32 -0.43 0.00 -0.05 0.00 0.00 57.45 56.47 1sue n PHE 50 Cb 0.53 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 1sue n PHE 50 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1sue s VAL 51 N -0.75 4.55 0.57 -4.37 1.01 -1.22 -4.82 120.40 115.37 1sue s VAL 51 Ca 0.06 0.11 0.30 0.00 0.00 0.00 0.00 61.98 62.46 1sue s VAL 51 Cb 0.04 -4.44 0.43 0.00 0.00 0.00 0.00 36.38 32.41 1sue s VAL 51 CO 0.05 -0.97 1.85 -0.65 0.00 0.00 0.00 175.10 175.38 1sue h PRO 52 N 9.18 0.00 -0.02 2.72 0.11 -1.95 -0.03 132.00 142.01 1sue h PRO 52 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1sue h PRO 52 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sue h PRO 52 CO 1.04 0.00 -0.18 0.43 -0.21 0.00 0.00 178.00 179.08 1sue n SER 53 N -3.93 1.89 -3.65 -2.05 7.64 -1.26 -4.54 113.62 107.72 1sue n SER 53 Ca 0.14 -1.48 -0.29 0.00 1.01 0.00 0.00 58.87 58.25 1sue n SER 53 Cb 0.88 0.15 -0.15 0.00 -1.01 0.00 0.00 64.21 64.07 1sue n SER 53 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1sue s GLU 54 N -2.24 0.49 0.30 1.43 2.02 -0.02 -5.00 118.70 115.69 1sue s GLU 54 Ca 0.28 -0.86 0.24 0.00 0.02 0.00 0.00 54.97 54.65 1sue s GLU 54 Cb 0.20 -1.63 0.46 0.00 0.10 0.00 0.00 34.13 33.25 1sue s GLU 54 CO 0.43 -1.01 1.57 1.79 0.02 0.00 0.00 175.26 178.06 1sue h THR 55 N 6.42 0.00 -3.42 3.63 1.35 -1.80 -3.38 112.91 115.71 1sue h THR 55 Ca -0.16 -0.77 -0.69 0.00 -0.55 0.00 0.00 66.41 64.24 1sue h THR 55 Cb 1.01 1.67 -0.19 0.00 -1.73 0.00 0.00 68.15 68.91 1sue h THR 55 CO 0.46 0.00 -0.10 0.21 -0.25 0.00 0.00 175.52 175.83 1sue s ASN 56 N -5.34 6.21 0.00 5.36 3.84 -1.26 -4.54 114.94 119.21 1sue s ASN 56 Ca 0.07 -0.79 0.23 0.00 0.21 0.00 0.00 52.86 52.58 1sue s ASN 56 Cb 0.09 -2.25 1.05 0.00 -0.55 0.00 0.00 41.25 39.59 1sue s ASN 56 CO 0.67 -0.71 1.73 -0.81 -2.79 0.00 0.00 177.10 175.18 1sue n PRO 57 N 5.81 0.17 -0.06 0.43 -0.04 -1.26 -2.51 135.00 137.54 1sue n PRO 57 Ca -0.07 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1sue n PRO 57 Cb 0.46 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.84 1sue n PRO 57 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sue n PHE 58 N -1.39 0.16 -4.69 0.54 3.72 -1.26 -1.62 117.46 112.92 1sue n PHE 58 Ca 0.08 -0.08 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 1sue n PHE 58 Cb 0.22 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.61 1sue n PHE 58 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1sue s GLN 59 N -1.84 3.34 -0.30 -1.08 0.74 -1.04 -2.90 119.66 116.58 1sue s GLN 59 Ca 0.33 -0.70 0.03 0.00 0.05 0.00 0.00 55.36 55.07 1sue s GLN 59 Cb 0.18 -2.64 0.08 0.00 1.10 0.00 0.00 33.01 31.73 1sue s GLN 59 CO 0.27 0.15 -0.01 0.34 -0.55 0.00 0.00 175.29 175.50 1sue s ASP 60 N 0.50 4.51 0.00 6.67 2.15 -1.26 -4.42 116.67 124.82 1sue s ASP 60 Ca -0.09 -1.78 0.29 0.00 0.43 0.00 0.00 52.55 51.40 1sue s ASP 60 Cb -0.16 -1.49 1.27 0.00 -0.30 0.00 0.00 42.92 42.25 1sue s ASP 60 CO 0.04 -0.31 1.91 0.59 -0.17 0.00 0.00 175.17 177.23 1sue n ASN 61 N 4.40 0.19 -0.10 -0.34 3.02 -1.26 -3.65 115.26 117.52 1sue n ASN 61 Ca -0.04 -0.14 -0.14 0.00 -0.03 0.00 0.00 54.58 54.23 1sue n ASN 61 Cb 0.42 -0.22 -0.10 0.00 -0.61 0.00 0.00 39.78 39.27 1sue n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sue n ASN 62 N -1.25 2.20 0.00 6.41 2.85 -1.26 -4.88 115.26 119.34 1sue n ASN 62 Ca 0.12 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1sue n ASN 62 Cb 0.28 -0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.08 1sue n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1sue n SER 63 N -3.08 0.00 0.12 1.20 3.41 -1.24 -4.96 113.62 109.07 1sue n SER 63 Ca -0.37 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.09 1sue n SER 63 Cb 0.92 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.79 1sue n SER 63 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1sue h HIS 64 N 0.00 -1.24 -0.20 7.33 6.17 -1.92 -2.31 115.15 122.98 1sue h HIS 64 Ca 0.00 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.07 1sue h HIS 64 Cb 0.00 0.53 -0.01 0.00 2.52 0.00 0.00 27.41 30.44 1sue h HIS 64 CO 0.00 -0.54 -0.05 0.78 0.71 0.00 0.00 177.93 178.83 1sue h GLY 65 N -0.68 0.33 1.06 5.26 0.00 -1.84 -1.71 103.07 105.48 1sue h GLY 65 Ca 0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1sue h GLY 65 CO -0.25 0.17 0.11 -0.84 0.00 0.00 0.00 176.54 175.74 1sue h THR 66 N 0.30 1.26 -0.12 4.70 2.02 -1.49 0.32 112.91 119.90 1sue h THR 66 Ca 0.07 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 1sue h THR 66 Cb 0.29 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1sue h THR 66 CO 0.01 0.38 0.00 -0.74 0.37 0.00 0.00 175.52 175.54 1sue h HIS 67 N 0.99 0.22 -0.41 3.16 6.17 -0.87 0.24 115.15 124.65 1sue h HIS 67 Ca 0.20 -0.04 0.04 0.00 0.71 0.00 0.00 60.37 61.28 1sue h HIS 67 Cb 0.43 -0.06 -0.04 0.00 2.52 0.00 0.00 27.41 30.26 1sue h HIS 67 CO 0.03 0.45 0.19 0.28 0.71 0.00 0.00 177.93 179.59 1sue h VAL 68 N -0.06 0.95 -0.67 5.26 2.07 -1.17 -1.31 116.25 121.32 1sue h VAL 68 Ca 0.03 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1sue h VAL 68 Cb 0.36 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1sue h VAL 68 CO 0.01 0.07 0.33 0.00 0.02 0.00 0.00 177.57 177.99 1sue h ALA 69 N 1.23 0.86 -0.76 1.67 0.00 -0.84 0.53 119.26 121.95 1sue h ALA 69 Ca 0.18 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1sue h ALA 69 Cb 0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1sue h ALA 69 CO -0.14 0.43 0.50 0.78 0.00 0.00 0.00 179.25 180.82 1sue h GLY 70 N 0.93 0.95 1.22 0.00 0.00 0.40 -1.52 103.07 105.04 1sue h GLY 70 Ca 0.23 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1sue h GLY 70 CO -0.03 0.15 -0.43 -0.84 0.00 0.00 0.00 176.54 175.39 1sue h THR 71 N 0.66 1.28 -0.55 4.70 2.02 0.13 0.11 112.91 121.25 1sue h THR 71 Ca 0.35 -1.61 0.01 0.00 0.77 0.00 0.00 66.41 65.93 1sue h THR 71 Cb 0.49 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1sue h THR 71 CO -0.13 0.53 0.36 0.58 0.37 0.00 0.00 175.52 177.23 1sue h VAL 72 N 0.68 1.14 -0.33 3.16 2.07 -0.35 -1.84 116.25 120.79 1sue h VAL 72 Ca 0.05 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1sue h VAL 72 Cb 1.01 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1sue h VAL 72 CO 0.10 0.14 -0.07 -0.07 0.02 0.00 0.00 177.57 177.69 1sue h LEU 73 N 0.74 0.51 -0.60 2.57 3.38 -0.98 0.40 115.31 121.33 1sue h LEU 73 Ca 0.20 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1sue h LEU 73 Cb -0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1sue h LEU 73 CO -0.05 0.63 0.40 0.00 0.09 0.00 0.00 178.44 179.51 1sue h ALA 74 N 1.43 0.77 -0.05 1.53 0.00 -0.39 0.49 119.26 123.03 1sue h ALA 74 Ca 0.10 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1sue h ALA 74 Cb 0.43 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sue h ALA 74 CO 0.02 0.19 -0.87 0.28 0.00 0.00 0.00 179.25 178.87 1sue h VAL 84 N 0.81 1.35 -2.28 0.00 2.07 -0.97 -3.39 116.25 113.84 1sue h VAL 84 Ca 0.22 -2.23 -0.58 0.00 0.82 0.00 0.00 66.70 64.93 1sue h VAL 84 Cb -0.09 2.24 -0.39 0.00 -1.52 0.00 0.00 31.29 31.53 1sue h VAL 84 CO -0.05 0.68 -0.93 0.00 0.02 0.00 0.00 177.57 177.29 1sue n ALA 85 N -2.57 2.93 0.14 1.67 0.00 0.14 -4.83 120.51 117.99 1sue n ALA 85 Ca -0.07 -3.64 0.19 0.00 0.00 0.00 0.00 53.44 49.92 1sue n ALA 85 Cb 0.79 -0.83 0.75 0.00 0.00 0.00 0.00 19.45 20.17 1sue n ALA 85 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sue h PRO 86 N 4.73 0.00 -0.67 0.00 0.14 0.19 -1.54 132.00 134.85 1sue h PRO 86 Ca 0.16 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.30 1sue h PRO 86 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.98 1sue h PRO 86 CO 0.52 0.00 0.00 0.43 0.14 0.00 0.00 178.00 179.09 1sue n SER 87 N -3.57 3.88 -4.77 1.44 7.64 0.57 -4.98 113.62 113.83 1sue n SER 87 Ca 0.06 -2.00 -0.33 0.00 1.01 0.00 0.00 58.87 57.61 1sue n SER 87 Cb 0.58 -0.44 0.05 0.00 -1.01 0.00 0.00 64.21 63.39 1sue n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sue s ALA 88 N -1.11 2.45 -0.41 -0.43 0.00 -0.58 -3.75 121.76 117.92 1sue s ALA 88 Ca 0.47 0.54 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 1sue s ALA 88 Cb 0.25 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 20.07 1sue s ALA 88 CO 0.33 -1.32 0.43 -1.12 0.00 0.00 0.00 175.76 174.08 1sue s SER 89 N -2.62 6.19 0.16 0.00 0.01 0.10 -4.96 113.70 112.58 1sue s SER 89 Ca 0.67 -0.65 -0.21 0.00 1.31 0.00 0.00 55.95 57.06 1sue s SER 89 Cb -0.21 -2.22 -0.08 0.00 0.21 0.00 0.00 66.02 63.73 1sue s SER 89 CO 0.43 -0.56 0.69 -0.76 0.41 0.00 0.00 173.24 173.45 1sue s LEU 90 N 2.11 4.49 -0.21 2.44 1.02 -1.26 -1.03 118.68 126.25 1sue s LEU 90 Ca 0.12 1.44 -0.02 0.00 0.02 0.00 0.00 54.13 55.69 1sue s LEU 90 Cb -0.17 -3.27 0.00 0.00 0.02 0.00 0.00 46.19 42.77 1sue s LEU 90 CO 0.13 0.17 -0.10 -0.31 0.02 0.00 0.00 176.35 176.26 1sue s TYR 91 N -1.27 2.89 -0.39 0.29 1.51 0.25 -0.36 117.35 120.27 1sue s TYR 91 Ca 0.36 -1.22 -0.23 0.00 -1.01 0.00 0.00 57.07 54.97 1sue s TYR 91 Cb -0.20 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.63 1sue s TYR 91 CO 0.22 -0.65 0.76 0.00 -1.11 0.00 0.00 175.55 174.77 1sue s ALA 92 N 1.40 3.39 -0.52 3.71 0.00 0.22 -0.96 121.76 129.01 1sue s ALA 92 Ca 0.05 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 1sue s ALA 92 Cb -0.14 -3.36 0.14 0.00 0.00 0.00 0.00 23.12 19.75 1sue s ALA 92 CO -0.07 -1.60 0.30 0.08 0.00 0.00 0.00 175.76 174.47 1sue s VAL 93 N 3.09 3.18 -0.56 0.00 1.01 -0.91 -0.36 120.40 125.85 1sue s VAL 93 Ca 0.30 -2.78 -0.28 0.00 0.00 0.00 0.00 61.98 59.21 1sue s VAL 93 Cb -0.13 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1sue s VAL 93 CO 0.18 -0.79 1.18 -0.75 0.00 0.00 0.00 175.10 174.93 1sue s LYS 94 N 0.26 3.56 0.00 2.72 2.20 0.02 -0.69 119.74 127.81 1sue s LYS 94 Ca 0.14 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 1sue s LYS 94 Cb -0.22 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.11 1sue s LYS 94 CO -0.03 -1.63 0.60 1.33 -0.36 0.00 0.00 175.35 175.26 1sue n VAL 95 N 6.71 0.23 -4.91 4.02 0.24 0.08 -0.48 118.33 124.22 1sue n VAL 95 Ca 0.09 -0.60 -0.28 0.00 -2.04 0.00 0.00 64.34 61.51 1sue n VAL 95 Cb 0.49 0.91 -0.17 0.00 -1.47 0.00 0.00 33.84 33.61 1sue n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sue s LEU 96 N -0.23 1.88 0.88 1.34 1.43 -1.06 -4.25 118.68 118.67 1sue s LEU 96 Ca 0.00 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 1sue s LEU 96 Cb 0.00 -1.11 0.14 0.00 0.03 0.00 0.00 46.19 45.25 1sue s LEU 96 CO 0.00 0.11 1.24 -0.83 0.23 0.00 0.00 176.35 177.10 1sue s GLY 97 N 0.44 1.70 0.40 -3.19 0.00 -0.53 -4.35 107.32 101.79 1sue s GLY 97 Ca -0.15 -0.99 0.21 0.00 0.00 0.00 0.00 44.72 43.79 1sue s GLY 97 CO 0.06 -0.35 1.73 0.00 0.00 0.00 0.00 173.10 174.53 1sue h ALA 98 N -1.32 2.32 0.00 3.20 0.00 -1.89 0.70 119.26 122.27 1sue h ALA 98 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1sue h ALA 98 Cb 1.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1sue h ALA 98 CO 0.50 -0.80 0.00 -0.40 0.00 0.00 0.00 179.25 178.56 1sue n ASP 99 N -4.67 0.38 0.00 0.00 5.68 -1.26 -4.00 116.55 112.68 1sue n ASP 99 Ca 0.29 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 1sue n ASP 99 Cb 1.01 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 1sue n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sue n GLY 100 N 0.22 0.35 3.65 6.12 0.00 0.24 -5.02 105.19 110.76 1sue n GLY 100 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1sue n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sue s SER 101 N -2.23 4.74 0.03 1.61 1.04 -1.23 -4.78 113.70 112.88 1sue s SER 101 Ca 0.00 -0.37 -0.20 0.00 0.48 0.00 0.00 55.95 55.86 1sue s SER 101 Cb 0.00 -1.01 0.04 0.00 0.10 0.00 0.00 66.02 65.16 1sue s SER 101 CO 0.00 0.11 0.46 -0.83 0.98 0.00 0.00 173.24 173.96 1sue s GLY 102 N -2.76 -0.34 0.48 7.32 0.00 -1.26 -1.46 107.32 109.31 1sue s GLY 102 Ca 0.26 0.48 -0.22 0.00 0.00 0.00 0.00 44.72 45.24 1sue s GLY 102 CO 0.18 0.20 1.13 1.20 0.00 0.00 0.00 173.10 175.81 1sue s GLN 103 N -2.28 3.68 0.40 2.90 -0.21 -1.26 -4.90 119.66 117.99 1sue s GLN 103 Ca -0.06 1.65 0.08 0.00 0.02 0.00 0.00 55.36 57.04 1sue s GLN 103 Cb -0.01 -2.27 0.82 0.00 1.00 0.00 0.00 33.01 32.55 1sue s GLN 103 CO -0.01 -0.58 2.00 1.88 -2.12 0.00 0.00 175.29 176.45 1sue h TYR 104 N 1.79 0.43 -0.46 0.91 -1.99 -2.00 -0.67 116.97 114.98 1sue h TYR 104 Ca -0.49 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.20 1sue h TYR 104 Cb 1.25 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.82 1sue h TYR 104 CO 0.54 0.36 0.20 0.66 -0.00 0.00 0.00 178.16 179.92 1sue h SER 105 N 0.44 0.58 -0.33 3.88 4.64 -1.98 -1.50 113.55 119.28 1sue h SER 105 Ca 0.11 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1sue h SER 105 Cb 0.12 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1sue h SER 105 CO -0.01 0.51 0.14 -0.50 -0.87 0.00 0.00 176.83 176.11 1sue h TRP 106 N 0.64 0.49 -0.56 4.77 6.55 -1.47 -0.04 115.95 126.33 1sue h TRP 106 Ca 0.16 -0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.99 1sue h TRP 106 Cb 0.10 -0.15 -0.03 0.00 -0.86 0.00 0.00 29.16 28.21 1sue h TRP 106 CO 0.01 0.45 0.35 0.82 -1.05 0.00 0.00 178.44 179.01 1sue h ILE 107 N 0.39 1.08 -0.50 1.49 2.04 -0.85 0.30 117.51 121.46 1sue h ILE 107 Ca 0.11 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1sue h ILE 107 Cb 0.15 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1sue h ILE 107 CO -0.01 0.13 0.29 0.40 0.00 0.00 0.00 178.15 178.95 1sue h ILE 108 N 0.70 1.16 -0.91 -0.67 2.04 -1.08 0.42 117.51 119.16 1sue h ILE 108 Ca 0.22 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1sue h ILE 108 Cb -0.00 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1sue h ILE 108 CO -0.09 0.17 0.56 0.78 0.00 0.00 0.00 178.15 179.57 1sue h ASN 109 N 0.66 1.08 0.02 1.72 2.35 -0.46 0.93 115.58 121.88 1sue h ASN 109 Ca 0.18 -0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.70 1sue h ASN 109 Cb 0.02 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.11 1sue h ASN 109 CO -0.03 0.82 -0.59 1.23 -1.65 0.00 0.00 177.43 177.21 1sue h GLY 110 N 1.26 0.64 1.03 2.83 0.00 0.30 -0.94 103.07 108.18 1sue h GLY 110 Ca 0.33 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1sue h GLY 110 CO -0.06 0.69 0.41 -2.22 0.00 0.00 0.00 176.54 175.36 1sue h ILE 111 N 0.44 1.25 -0.79 2.60 2.04 0.16 -1.41 117.51 121.80 1sue h ILE 111 Ca -0.00 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 1sue h ILE 111 Cb 1.15 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1sue h ILE 111 CO 0.11 0.30 0.31 -0.33 0.00 0.00 0.00 178.15 178.54 1sue h GLU 112 N 1.16 1.19 -0.98 2.37 4.39 0.10 -0.66 114.58 122.16 1sue h GLU 112 Ca 0.28 -0.22 0.05 0.00 0.34 0.00 0.00 59.36 59.82 1sue h GLU 112 Cb 0.10 -0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 1sue h GLU 112 CO -0.04 0.97 0.64 2.35 -1.16 0.00 0.00 179.01 181.77 1sue h TRP 113 N 1.16 1.18 -0.32 4.33 7.01 -0.73 0.01 115.95 128.60 1sue h TRP 113 Ca 0.26 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.17 1sue h TRP 113 Cb 0.22 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 1sue h TRP 113 CO 0.02 0.65 -0.30 0.00 -2.79 0.00 0.00 178.44 176.02 1sue h ALA 114 N 1.45 0.88 0.08 2.65 0.00 -0.05 -0.20 119.26 124.07 1sue h ALA 114 Ca 0.41 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sue h ALA 114 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sue h ALA 114 CO -0.14 0.63 -0.04 0.82 0.00 0.00 0.00 179.25 180.51 1sue h ILE 115 N 0.57 1.07 -0.09 0.00 2.04 -0.73 0.93 117.51 121.30 1sue h ILE 115 Ca 0.07 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1sue h ILE 115 Cb 0.80 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1sue h ILE 115 CO 0.07 0.14 0.07 0.00 0.00 0.00 0.00 178.15 178.42 1sue h ALA 116 N 0.53 1.98 -0.69 1.87 0.00 -0.83 -0.63 119.26 121.50 1sue h ALA 116 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sue h ALA 116 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1sue h ALA 116 CO 0.02 -0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.24 1sue n ASN 117 N -4.35 4.61 -3.72 0.00 3.02 -0.10 -4.95 115.26 109.77 1sue n ASN 117 Ca -0.01 -2.33 -0.23 0.00 -0.03 0.00 0.00 54.58 51.98 1sue n ASN 117 Cb 0.18 -0.56 0.04 0.00 -0.61 0.00 0.00 39.78 38.82 1sue n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sue n ASN 118 N 1.30 -2.17 -4.77 6.41 5.03 -0.24 -4.95 115.26 115.87 1sue n ASN 118 Ca 0.26 -0.79 -0.37 0.00 0.87 0.00 0.00 54.58 54.56 1sue n ASN 118 Cb 0.83 -4.14 -0.02 0.00 -1.02 0.00 0.00 39.78 35.43 1sue n ASN 118 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1sue s MET 119 N -6.08 3.79 0.03 3.52 -1.94 0.27 -4.89 119.30 114.00 1sue s MET 119 Ca 0.16 1.68 0.06 0.00 -1.71 0.00 0.00 55.69 55.88 1sue s MET 119 Cb -0.08 -2.37 -0.24 0.00 2.01 0.00 0.00 34.83 34.16 1sue s MET 119 CO 0.81 -0.50 0.95 -0.44 -0.01 0.00 0.00 175.02 175.82 1sue h ASP 120 N 2.01 0.12 -4.74 3.03 3.32 -1.41 -3.43 116.42 115.31 1sue h ASP 120 Ca -0.49 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 56.21 1sue h ASP 120 Cb 1.24 -0.04 -0.22 0.00 0.22 0.00 0.00 39.33 40.53 1sue h ASP 120 CO 0.60 1.15 -0.64 -0.69 -1.72 0.00 0.00 179.24 177.94 1sue s VAL 121 N -2.64 0.08 -0.10 -1.35 1.01 -0.78 -0.81 120.40 115.80 1sue s VAL 121 Ca -0.04 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1sue s VAL 121 Cb 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.19 1sue s VAL 121 CO 0.83 -0.37 -0.22 -0.63 0.00 0.00 0.00 175.10 174.71 1sue s ILE 122 N -1.16 1.92 -0.19 2.22 1.01 0.77 -0.57 121.20 125.20 1sue s ILE 122 Ca -0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 1sue s ILE 122 Cb -0.08 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1sue s ILE 122 CO -0.00 0.53 -0.07 0.21 0.00 0.00 0.00 174.94 175.61 1sue s ASN 123 N 0.41 4.24 -0.54 3.58 2.47 -0.33 -0.41 114.94 124.36 1sue s ASN 123 Ca -0.18 -0.36 0.04 0.00 0.42 0.00 0.00 52.86 52.78 1sue s ASN 123 Cb -0.18 -1.71 0.14 0.00 -1.45 0.00 0.00 41.25 38.06 1sue s ASN 123 CO 0.08 0.04 0.29 -0.04 -3.72 0.00 0.00 177.10 173.75 1sue s MET 124 N 1.11 1.99 -1.40 0.43 -1.94 0.17 -1.18 119.30 118.48 1sue s MET 124 Ca 0.01 -2.68 -0.08 0.00 -1.71 0.00 0.00 55.69 51.23 1sue s MET 124 Cb -0.15 -3.25 0.07 0.00 2.01 0.00 0.00 34.83 33.52 1sue s MET 124 CO -0.01 -1.14 2.40 0.43 -0.01 0.00 0.00 175.02 176.69 1sue n SER 125 N 2.97 7.24 -3.86 3.03 7.64 -1.26 -1.01 113.62 128.37 1sue n SER 125 Ca 0.08 -2.98 -0.09 0.00 1.01 0.00 0.00 58.87 56.89 1sue n SER 125 Cb 0.33 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.03 1sue n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1sue s LEU 126 N -0.80 0.01 0.00 -3.43 0.05 -1.26 -4.84 118.68 108.41 1sue s LEU 126 Ca 0.54 -0.66 0.00 0.00 0.05 0.00 0.00 54.13 54.06 1sue s LEU 126 Cb 0.16 2.25 0.00 0.00 -2.05 0.00 0.00 46.19 46.55 1sue s LEU 126 CO -0.07 -1.19 0.00 0.61 -0.55 0.00 0.00 176.35 175.16 1sue n GLY 127 N -0.40 0.70 3.15 -3.48 0.00 -1.26 -4.46 105.19 99.44 1sue n GLY 127 Ca -0.05 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 1sue n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sue s GLY 128 N 0.00 0.48 0.34 -0.02 0.00 -0.55 -4.90 107.32 102.67 1sue s GLY 128 Ca 0.00 -1.10 0.25 0.00 0.00 0.00 0.00 44.72 43.88 1sue s GLY 128 CO 0.00 -1.17 1.72 -0.56 0.00 0.00 0.00 173.10 173.09 1sue h PRO 129 N 2.96 0.00 -6.26 2.90 0.13 -1.96 0.76 132.00 130.53 1sue h PRO 129 Ca -0.34 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.14 1sue h PRO 129 Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1sue h PRO 129 CO 0.61 0.00 -0.65 -1.54 -0.23 0.00 0.00 178.00 176.19 1sue s SER 130 N -5.28 5.12 0.58 1.44 1.04 -1.26 -4.80 113.70 110.54 1sue s SER 130 Ca 0.08 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 1sue s SER 130 Cb 0.09 -1.28 0.01 0.00 0.10 0.00 0.00 66.02 64.94 1sue s SER 130 CO 0.61 0.21 0.88 -0.83 0.98 0.00 0.00 173.24 175.09 1sue s GLY 131 N -2.04 1.62 -0.06 7.32 0.00 -1.26 -4.75 107.32 108.15 1sue s GLY 131 Ca 0.24 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 1sue s GLY 131 CO 0.16 -0.51 0.15 -0.45 0.00 0.00 0.00 173.10 172.45 1sue s SER 132 N -4.32 -0.13 0.36 1.64 0.15 -1.26 -5.04 113.70 105.10 1sue s SER 132 Ca 0.54 0.30 0.12 0.00 0.70 0.00 0.00 55.95 57.61 1sue s SER 132 Cb -0.10 0.24 0.69 0.00 -1.71 0.00 0.00 66.02 65.13 1sue s SER 132 CO 0.44 -0.10 1.81 0.00 1.20 0.00 0.00 173.24 176.59 1sue h ALA 133 N 6.64 1.36 -0.12 5.45 0.00 -1.98 0.11 119.26 130.71 1sue h ALA 133 Ca -0.35 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.07 1sue h ALA 133 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1sue h ALA 133 CO 0.42 0.48 -0.58 0.00 0.00 0.00 0.00 179.25 179.58 1sue h ALA 134 N 1.60 0.79 -0.09 0.00 0.00 -1.97 0.64 119.26 120.24 1sue h ALA 134 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1sue h ALA 134 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sue h ALA 134 CO 0.05 0.70 -0.37 1.25 0.00 0.00 0.00 179.25 180.89 1sue h LEU 135 N 0.28 0.48 -0.90 0.00 5.85 -1.81 -1.69 115.31 117.52 1sue h LEU 135 Ca -0.00 -0.63 0.06 0.00 0.84 0.00 0.00 57.88 58.15 1sue h LEU 135 Cb 1.09 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1sue h LEU 135 CO 0.10 1.03 0.57 0.50 -0.34 0.00 0.00 178.44 180.30 1sue h LYS 136 N -0.04 1.01 -0.73 1.25 3.64 -0.57 -1.78 116.57 119.34 1sue h LYS 136 Ca -0.02 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1sue h LYS 136 Cb 1.01 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 1sue h LYS 136 CO 0.08 0.67 0.30 0.00 -2.27 0.00 0.00 179.45 178.22 1sue h ALA 137 N 1.42 1.15 -0.07 5.00 0.00 0.51 0.57 119.26 127.85 1sue h ALA 137 Ca 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1sue h ALA 137 Cb 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1sue h ALA 137 CO -0.17 0.62 0.01 0.00 0.00 0.00 0.00 179.25 179.70 1sue h ALA 138 N 1.27 0.09 -0.62 0.00 0.00 -0.56 0.13 119.26 119.56 1sue h ALA 138 Ca 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1sue h ALA 138 Cb 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1sue h ALA 138 CO -0.02 -0.26 0.15 -0.39 0.00 0.00 0.00 179.25 178.72 1sue h VAL 139 N -0.14 1.24 -0.57 0.00 -1.51 -1.26 0.15 116.25 114.16 1sue h VAL 139 Ca 0.02 -0.90 -0.09 0.00 -1.23 0.00 0.00 66.70 64.50 1sue h VAL 139 Cb 0.29 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.04 1sue h VAL 139 CO 0.00 0.34 0.01 0.44 -1.23 0.00 0.00 177.57 177.13 1sue h ASP 140 N 0.93 0.96 -0.34 4.19 3.32 -0.76 -0.80 116.42 123.93 1sue h ASP 140 Ca 0.20 -0.26 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 1sue h ASP 140 Cb 0.34 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1sue h ASP 140 CO 0.00 1.01 -0.34 0.50 -1.72 0.00 0.00 179.24 178.69 1sue h LYS 141 N 0.91 0.84 -0.49 3.56 3.64 -0.36 0.94 116.57 125.61 1sue h LYS 141 Ca 0.17 -0.44 0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1sue h LYS 141 Cb 0.52 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1sue h LYS 141 CO 0.03 1.08 0.19 0.00 -2.27 0.00 0.00 179.45 178.48 1sue h ALA 142 N 0.74 0.61 -0.42 5.00 0.00 -0.40 0.24 119.26 125.03 1sue h ALA 142 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1sue h ALA 142 Cb 0.93 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1sue h ALA 142 CO 0.09 -0.19 0.16 0.28 0.00 0.00 0.00 179.25 179.58 1sue h VAL 143 N 0.38 1.20 -0.13 0.00 2.07 -0.97 -0.72 116.25 118.09 1sue h VAL 143 Ca 0.23 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1sue h VAL 143 Cb 0.22 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1sue h VAL 143 CO -0.22 0.23 0.03 0.00 0.02 0.00 0.00 177.57 177.63 1sue h ALA 144 N 1.01 1.81 0.00 1.67 0.00 -0.02 -0.20 119.26 123.52 1sue h ALA 144 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sue h ALA 144 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sue h ALA 144 CO -0.01 0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.83 1sue n SER 145 N -4.45 0.06 0.00 0.00 7.64 0.77 -4.90 113.62 112.74 1sue n SER 145 Ca -0.01 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1sue n SER 145 Cb 0.13 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1sue n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sue n GLY 146 N 0.66 1.16 3.85 0.23 0.00 -0.09 -5.07 105.19 105.95 1sue n GLY 146 Ca 0.05 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1sue n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sue s VAL 147 N -2.00 4.96 -0.26 1.61 1.01 -0.36 -4.18 120.40 121.18 1sue s VAL 147 Ca 0.00 0.69 -0.22 0.00 0.00 0.00 0.00 61.98 62.44 1sue s VAL 147 Cb 0.00 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1sue s VAL 147 CO 0.00 0.29 0.73 -0.69 0.00 0.00 0.00 175.10 175.43 1sue s VAL 148 N -1.40 4.89 -0.20 2.92 1.01 0.01 -4.20 120.40 123.42 1sue s VAL 148 Ca 0.35 1.28 -0.06 0.00 0.00 0.00 0.00 61.98 63.54 1sue s VAL 148 Cb -0.15 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1sue s VAL 148 CO 0.18 -0.07 0.03 -0.69 0.00 0.00 0.00 175.10 174.55 1sue s VAL 149 N 2.72 4.25 -0.01 2.92 1.01 -1.26 -0.16 120.40 129.87 1sue s VAL 149 Ca 0.30 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.12 1sue s VAL 149 Cb -0.15 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1sue s VAL 149 CO 0.09 0.42 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 1sue s VAL 150 N 0.90 1.21 0.02 2.92 1.01 0.45 -0.99 120.40 125.92 1sue s VAL 150 Ca 0.02 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 1sue s VAL 150 Cb -0.14 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1sue s VAL 150 CO 0.02 0.31 0.11 0.00 0.00 0.00 0.00 175.10 175.53 1sue s ALA 151 N -0.41 -0.17 0.41 5.51 0.00 0.55 0.43 121.76 128.08 1sue s ALA 151 Ca 0.06 -0.38 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 1sue s ALA 151 Cb -0.06 0.19 -0.10 0.00 0.00 0.00 0.00 23.12 23.15 1sue s ALA 151 CO -0.00 -0.26 1.47 0.00 0.00 0.00 0.00 175.76 176.96 1sue s ALA 152 N -2.02 3.44 0.14 0.00 0.00 -0.18 -0.81 121.76 122.33 1sue s ALA 152 Ca -0.10 1.54 0.19 0.00 0.00 0.00 0.00 51.96 53.59 1sue s ALA 152 Cb -0.05 -3.61 0.63 0.00 0.00 0.00 0.00 23.12 20.10 1sue s ALA 152 CO -0.02 -1.12 1.71 0.00 0.00 0.00 0.00 175.76 176.33 1sue h ALA 153 N 2.72 0.96 0.00 0.00 0.00 -1.11 -3.40 119.26 118.44 1sue h ALA 153 Ca -0.51 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1sue h ALA 153 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sue h ALA 153 CO 0.63 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1sue n GLY 154 N 0.32 3.19 2.23 0.00 0.00 -1.26 -1.65 105.19 108.01 1sue n GLY 154 Ca -0.00 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.80 1sue n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sue n ASN 155 N 0.00 4.63 -0.56 1.61 3.02 -1.26 -1.40 115.26 121.30 1sue n ASN 155 Ca 0.00 -3.64 0.12 0.00 -0.03 0.00 0.00 54.58 51.02 1sue n ASN 155 Cb 0.00 -0.39 0.41 0.00 -0.61 0.00 0.00 39.78 39.18 1sue n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sue n GLU 156 N -0.61 1.75 0.00 3.52 -0.58 -1.03 -4.79 120.64 118.90 1sue n GLU 156 Ca 0.40 -1.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 1sue n GLU 156 Cb 0.85 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 1sue n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sue n GLY 157 N 1.16 1.20 3.53 0.62 0.00 -0.36 -4.81 105.19 106.53 1sue n GLY 157 Ca 0.17 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 1sue n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sue s THR 158 N 0.00 2.10 -0.45 2.61 -4.23 -1.26 -3.77 115.64 110.64 1sue s THR 158 Ca 0.00 -2.17 0.07 0.00 -1.18 0.00 0.00 61.69 58.41 1sue s THR 158 Cb 0.00 -2.64 0.27 0.00 1.34 0.00 0.00 72.50 71.46 1sue s THR 158 CO 0.00 -0.20 0.84 -0.24 -0.54 0.00 0.00 174.62 174.48 1sue n SER 159 N -0.77 -1.84 0.00 3.99 2.88 -1.26 -5.09 113.62 111.53 1sue n SER 159 Ca -0.05 -3.22 0.00 0.00 -1.33 0.00 0.00 58.87 54.26 1sue n SER 159 Cb 0.64 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 65.22 1sue n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sue n GLY 160 N 1.25 1.72 0.69 0.46 0.00 -1.26 -1.94 105.19 106.12 1sue n GLY 160 Ca 0.12 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1sue n GLY 160 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sue n SER 161 N 5.58 2.21 -4.76 1.61 3.41 -1.26 -4.93 113.62 115.48 1sue n SER 161 Ca 0.00 -1.70 -0.39 0.00 -0.26 0.00 0.00 58.87 56.51 1sue n SER 161 Cb 0.00 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1sue n SER 161 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1sue s SER 162 N -2.06 7.04 0.24 4.04 0.01 -0.82 -5.00 113.70 117.15 1sue s SER 162 Ca 0.31 2.27 -0.30 0.00 1.31 0.00 0.00 55.95 59.54 1sue s SER 162 Cb 0.20 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.72 1sue s SER 162 CO 0.34 -0.30 1.29 -0.55 0.41 0.00 0.00 173.24 174.43 1sue s SER 163 N -1.01 6.90 -0.08 2.44 0.15 -1.26 -4.39 113.70 116.45 1sue s SER 163 Ca 0.49 2.46 0.12 0.00 0.70 0.00 0.00 55.95 59.71 1sue s SER 163 Cb -0.30 -2.62 0.23 0.00 -1.71 0.00 0.00 66.02 61.62 1sue s SER 163 CO 0.39 -0.49 1.15 0.35 1.20 0.00 0.00 173.24 175.84 1sue n THR 164 N 2.05 1.57 -2.29 6.45 -2.24 0.18 -4.97 114.28 115.03 1sue n THR 164 Ca 0.04 -1.67 -0.41 0.00 -2.27 0.00 0.00 64.05 59.74 1sue n THR 164 Cb 0.43 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1sue n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sue s VAL 165 N -2.06 3.43 0.70 2.28 1.01 -1.15 -4.52 120.40 120.07 1sue s VAL 165 Ca 0.22 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.35 1sue s VAL 165 Cb 0.18 -3.73 0.11 0.00 0.00 0.00 0.00 36.38 32.94 1sue s VAL 165 CO 0.04 0.16 0.96 -0.83 0.00 0.00 0.00 175.10 175.43 1sue s GLY 166 N 0.42 1.77 -0.02 4.51 0.00 -0.66 -4.71 107.32 108.63 1sue s GLY 166 Ca 0.56 -1.67 -0.02 0.00 0.00 0.00 0.00 44.72 43.59 1sue s GLY 166 CO 0.36 -1.15 0.11 -0.19 0.00 0.00 0.00 173.10 172.24 1sue s TYR 167 N -3.09 3.39 -1.38 1.90 2.02 0.26 0.36 117.35 120.81 1sue s TYR 167 Ca 0.65 0.28 0.29 0.00 -0.37 0.00 0.00 57.07 57.93 1sue s TYR 167 Cb -0.06 -1.79 1.34 0.00 -0.40 0.00 0.00 41.96 41.05 1sue s TYR 167 CO 0.43 0.60 1.95 -0.35 -1.57 0.00 0.00 175.55 176.61 1sue n PRO 168 N 1.23 0.39 0.03 -1.71 -0.04 -1.26 -1.48 135.00 132.16 1sue n PRO 168 Ca -0.13 -0.06 0.22 0.00 -0.04 0.00 0.00 63.50 63.49 1sue n PRO 168 Cb 0.53 -1.50 0.70 0.00 -0.04 0.00 0.00 33.50 33.19 1sue n PRO 168 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1sue h GLY 169 N 4.99 0.00 2.00 0.55 0.00 -1.65 0.67 103.07 109.63 1sue h GLY 169 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sue h GLY 169 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 176.54 178.24 1sue h LYS 170 N 0.00 0.00 -6.66 4.80 3.64 -0.37 -3.40 116.57 114.58 1sue h LYS 170 Ca 0.25 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 59.12 1sue h LYS 170 Cb 1.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1sue h LYS 170 CO -0.00 0.00 0.42 0.71 -2.27 0.00 0.00 179.45 178.31 1sue s TYR 171 N -3.52 3.72 0.53 1.91 2.02 0.22 -4.92 117.35 117.32 1sue s TYR 171 Ca 0.02 1.72 0.20 0.00 -0.37 0.00 0.00 57.07 58.64 1sue s TYR 171 Cb 0.09 -3.17 1.37 0.00 -0.40 0.00 0.00 41.96 39.86 1sue s TYR 171 CO 0.48 -0.20 2.13 -1.35 -1.57 0.00 0.00 175.55 175.04 1sue h PRO 172 N 4.98 0.00 0.00 -1.71 0.11 -1.88 0.75 132.00 134.25 1sue h PRO 172 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1sue h PRO 172 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sue h PRO 172 CO 0.71 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 1sue n SER 173 N -4.40 0.00 -4.87 -2.05 3.41 -1.26 -4.71 113.62 99.74 1sue n SER 173 Ca -0.00 0.42 -0.34 0.00 -0.26 0.00 0.00 58.87 58.69 1sue n SER 173 Cb 0.20 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 1sue n SER 173 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sue s VAL 174 N -2.92 5.29 -0.47 -3.33 1.01 0.25 -4.72 120.40 115.52 1sue s VAL 174 Ca 0.08 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1sue s VAL 174 Cb 0.09 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 33.08 1sue s VAL 174 CO 0.25 0.37 0.57 -0.63 0.00 0.00 0.00 175.10 175.67 1sue s ILE 175 N -1.26 4.93 -0.22 2.22 1.01 -0.16 -4.83 121.20 122.90 1sue s ILE 175 Ca 0.25 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 1sue s ILE 175 Cb -0.12 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1sue s ILE 175 CO 0.16 -0.65 0.41 0.00 0.00 0.00 0.00 174.94 174.86 1sue s ALA 176 N 2.52 3.56 -0.18 9.38 0.00 -1.26 -0.33 121.76 135.45 1sue s ALA 176 Ca 0.16 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 1sue s ALA 176 Cb -0.17 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1sue s ALA 176 CO 0.14 -0.40 -0.07 0.08 0.00 0.00 0.00 175.76 175.51 1sue s VAL 177 N 1.54 3.35 0.73 0.00 1.01 0.01 -0.57 120.40 126.47 1sue s VAL 177 Ca 0.19 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1sue s VAL 177 Cb -0.15 -2.48 0.12 0.00 0.00 0.00 0.00 36.38 33.86 1sue s VAL 177 CO 0.08 0.47 1.02 -0.83 0.00 0.00 0.00 175.10 175.84 1sue s GLY 178 N 0.96 1.76 0.02 4.51 0.00 0.11 -0.59 107.32 114.10 1sue s GLY 178 Ca -0.01 -1.47 0.08 0.00 0.00 0.00 0.00 44.72 43.32 1sue s GLY 178 CO 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 173.10 171.93 1sue s ALA 179 N -3.22 2.02 0.39 3.20 0.00 -1.26 -0.94 121.76 121.95 1sue s ALA 179 Ca 0.65 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 51.57 1sue s ALA 179 Cb -0.07 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.53 1sue s ALA 179 CO 0.45 0.48 -0.01 0.14 0.00 0.00 0.00 175.76 176.82 1sue s VAL 180 N -0.71 2.12 0.06 0.00 -7.23 0.12 -1.48 120.40 113.28 1sue s VAL 180 Ca 0.10 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1sue s VAL 180 Cb -0.09 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1sue s VAL 180 CO 0.01 -0.06 0.09 -0.90 -0.31 0.00 0.00 175.10 173.92 1sue n ASP 181 N -0.94 0.21 0.12 4.85 5.68 -0.36 -0.43 116.55 125.68 1sue n ASP 181 Ca -0.05 -1.16 0.10 0.00 -0.50 0.00 0.00 54.79 53.19 1sue n ASP 181 Cb 0.66 -0.05 0.47 0.00 -1.14 0.00 0.00 41.12 41.06 1sue n ASP 181 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1sue n SER 182 N -2.94 0.53 -1.26 -1.12 3.41 -1.26 -0.83 113.62 110.15 1sue n SER 182 Ca 0.02 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1sue n SER 182 Cb 0.06 -0.77 0.27 0.00 -0.26 0.00 0.00 64.21 63.51 1sue n SER 182 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sue n SER 183 N -2.13 3.71 -0.45 4.04 7.64 -1.26 -4.93 113.62 120.24 1sue n SER 183 Ca 0.01 -2.00 -0.06 0.00 1.01 0.00 0.00 58.87 57.83 1sue n SER 183 Cb 0.15 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 1sue n SER 183 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1sue n ASN 184 N 1.59 -3.90 -4.78 6.43 3.02 -0.01 -5.00 115.26 112.61 1sue n ASN 184 Ca 0.22 0.15 -0.38 0.00 -0.03 0.00 0.00 54.58 54.53 1sue n ASN 184 Cb 0.62 -1.93 -0.06 0.00 -0.61 0.00 0.00 39.78 37.81 1sue n ASN 184 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1sue s GLN 185 N -2.26 4.23 0.40 3.52 2.00 -1.26 -4.78 119.66 121.51 1sue s GLN 185 Ca 0.00 0.65 -0.27 0.00 -2.00 0.00 0.00 55.36 53.74 1sue s GLN 185 Cb 0.00 -3.31 -0.10 0.00 0.80 0.00 0.00 33.01 30.40 1sue s GLN 185 CO 0.00 0.45 1.45 0.50 -0.50 0.00 0.00 175.29 177.19 1sue s ARG 186 N -0.42 3.97 0.21 1.67 3.52 -1.26 -1.23 118.95 125.41 1sue s ARG 186 Ca 0.29 2.49 -0.30 0.00 -0.13 0.00 0.00 55.73 58.07 1sue s ARG 186 Cb -0.18 -2.86 -0.08 0.00 -1.56 0.00 0.00 34.95 30.27 1sue s ARG 186 CO 0.16 -0.61 1.03 0.00 -0.81 0.00 0.00 175.30 175.07 1sue s ALA 187 N -1.16 3.35 0.46 6.12 0.00 -0.55 -4.86 121.76 125.13 1sue s ALA 187 Ca 0.56 0.74 0.24 0.00 0.00 0.00 0.00 51.96 53.50 1sue s ALA 187 Cb -0.45 -3.29 1.25 0.00 0.00 0.00 0.00 23.12 20.63 1sue s ALA 187 CO 0.60 -0.05 1.83 0.66 0.00 0.00 0.00 175.76 178.80 1sue h SER 188 N 4.59 0.27 1.06 0.00 4.64 -1.92 0.38 113.55 122.57 1sue h SER 188 Ca -0.45 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1sue h SER 188 Cb 1.21 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1sue h SER 188 CO 0.70 0.08 -0.16 2.22 -0.87 0.00 0.00 176.83 178.79 1sue n PHE 189 N -4.44 0.37 -1.83 4.77 1.16 -1.26 -4.39 117.46 111.83 1sue n PHE 189 Ca 0.22 0.11 -0.42 0.00 -1.87 0.00 0.00 57.45 55.48 1sue n PHE 189 Cb 0.90 -0.62 -0.03 0.00 -1.61 0.00 0.00 39.48 38.11 1sue n PHE 189 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1sue s SER 190 N -3.64 6.52 0.71 5.98 0.15 0.12 -1.23 113.70 122.32 1sue s SER 190 Ca 0.11 2.61 -0.16 0.00 0.70 0.00 0.00 55.95 59.21 1sue s SER 190 Cb 0.16 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.93 1sue s SER 190 CO 0.60 -0.94 1.19 -1.20 1.20 0.00 0.00 173.24 174.09 1sue n SER 191 N 5.64 1.37 -4.31 5.45 7.64 -0.49 -4.28 113.62 124.64 1sue n SER 191 Ca 0.17 0.72 -0.16 0.00 1.01 0.00 0.00 58.87 60.61 1sue n SER 191 Cb 0.39 -1.50 -0.10 0.00 -1.01 0.00 0.00 64.21 61.99 1sue n SER 191 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1sue s VAL 192 N -1.70 0.78 0.00 0.44 -7.23 -1.25 -4.86 120.40 106.58 1sue s VAL 192 Ca 0.78 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1sue s VAL 192 Cb -0.35 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1sue s VAL 192 CO 0.46 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 1sue n GLY 193 N -0.40 3.40 0.15 2.32 0.00 -0.68 0.49 105.19 110.47 1sue n GLY 193 Ca -0.04 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.43 1sue n GLY 193 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sue n PRO 194 N -1.97 0.17 0.01 1.61 -0.04 -1.26 -2.20 135.00 131.32 1sue n PRO 194 Ca 0.00 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1sue n PRO 194 Cb 0.00 -1.91 0.45 0.00 -0.04 0.00 0.00 33.50 32.00 1sue n PRO 194 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sue n GLU 195 N -2.25 0.02 -2.10 0.54 4.71 -1.26 -4.82 120.64 115.48 1sue n GLU 195 Ca 0.00 0.01 -0.42 0.00 -0.01 0.00 0.00 57.16 56.75 1sue n GLU 195 Cb 0.14 -1.52 -0.03 0.00 -1.01 0.00 0.00 31.44 29.02 1sue n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1sue s LEU 196 N -3.10 4.39 -0.16 -4.62 2.96 -0.93 -4.50 118.68 112.72 1sue s LEU 196 Ca 0.12 2.51 -0.08 0.00 -0.22 0.00 0.00 54.13 56.47 1sue s LEU 196 Cb 0.18 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.19 1sue s LEU 196 CO 0.60 -0.65 -0.20 0.47 -1.32 0.00 0.00 176.35 175.25 1sue n ASP 197 N 2.93 1.12 -3.89 3.68 8.00 0.27 -4.37 116.55 124.28 1sue n ASP 197 Ca 0.08 0.19 -0.11 0.00 0.71 0.00 0.00 54.79 55.66 1sue n ASP 197 Cb 0.41 -0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 1sue n ASP 197 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1sue s VAL 198 N -2.29 0.00 0.22 2.53 -7.23 -1.01 -0.45 120.40 112.17 1sue s VAL 198 Ca -0.22 -1.64 0.12 0.00 -1.81 0.00 0.00 61.98 58.42 1sue s VAL 198 Cb 0.08 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 1sue s VAL 198 CO 0.28 0.00 -0.22 -0.04 -0.31 0.00 0.00 175.10 174.80 1sue s MET 199 N -3.85 1.57 0.18 4.82 -1.94 0.92 -0.71 119.30 120.28 1sue s MET 199 Ca 0.30 -1.61 -0.11 0.00 -1.71 0.00 0.00 55.69 52.55 1sue s MET 199 Cb 0.02 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 35.06 1sue s MET 199 CO 0.13 0.37 0.36 0.00 -0.01 0.00 0.00 175.02 175.86 1sue s ALA 200 N -2.00 -0.25 0.27 3.03 0.00 -0.11 -2.45 121.76 120.25 1sue s ALA 200 Ca 0.24 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 1sue s ALA 200 Cb -0.07 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 23.81 1sue s ALA 200 CO 0.12 -0.70 1.57 -2.14 0.00 0.00 0.00 175.76 174.60 1sue s PRO 201 N -3.95 4.16 0.00 0.00 0.02 -1.26 -0.70 135.00 133.27 1sue s PRO 201 Ca 0.15 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1sue s PRO 201 Cb 0.02 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1sue s PRO 201 CO -0.00 -0.59 0.73 0.41 -0.33 0.00 0.00 177.00 177.21 1sue n GLY 202 N 2.40 0.52 3.32 0.52 0.00 0.43 -3.40 105.19 108.98 1sue n GLY 202 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1sue n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sue s VAL 203 N 0.00 2.88 -1.30 1.61 1.01 -1.23 -0.39 120.40 122.98 1sue s VAL 203 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1sue s VAL 203 Cb 0.00 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1sue s VAL 203 CO 0.00 0.52 0.58 -1.20 0.00 0.00 0.00 175.10 175.00 1sue n SER 204 N 3.75 -2.10 -4.63 3.32 7.64 -1.13 -4.85 113.62 115.62 1sue n SER 204 Ca -0.18 -1.00 -0.39 0.00 1.01 0.00 0.00 58.87 58.31 1sue n SER 204 Cb 0.52 -3.25 -0.08 0.00 -1.01 0.00 0.00 64.21 60.40 1sue n SER 204 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1sue s ILE 205 N -3.76 5.15 0.10 0.44 -1.09 0.40 -4.75 121.20 117.69 1sue s ILE 205 Ca 0.17 0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 58.98 1sue s ILE 205 Cb -0.06 -3.74 -0.06 0.00 -1.58 0.00 0.00 42.46 37.02 1sue s ILE 205 CO 0.87 0.17 0.98 0.00 -1.23 0.00 0.00 174.94 175.73 1sue s SER 207 N 0.13 -0.08 0.33 0.00 0.15 0.16 -3.40 113.70 110.99 1sue s SER 207 Ca 0.48 -0.88 -0.29 0.00 0.70 0.00 0.00 55.95 55.96 1sue s SER 207 Cb -0.24 0.75 -0.10 0.00 -1.71 0.00 0.00 66.02 64.72 1sue s SER 207 CO 0.30 -1.44 1.36 0.42 1.20 0.00 0.00 173.24 175.07 1sue s THR 208 N -3.32 2.59 0.25 6.45 -4.23 -1.26 -0.15 115.64 115.98 1sue s THR 208 Ca 0.15 0.58 0.09 0.00 -1.18 0.00 0.00 61.69 61.32 1sue s THR 208 Cb -0.05 -3.37 -0.05 0.00 1.34 0.00 0.00 72.50 70.37 1sue s THR 208 CO 0.10 0.13 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.41 1sue s LEU 209 N -1.65 2.56 0.58 4.79 1.43 0.19 -2.11 118.68 124.47 1sue s LEU 209 Ca 0.51 -1.08 -0.20 0.00 -1.03 0.00 0.00 54.13 52.33 1sue s LEU 209 Cb -0.41 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 1sue s LEU 209 CO 0.53 -0.16 1.13 -2.65 0.23 0.00 0.00 176.35 175.44 1sue n PRO 210 N -0.53 1.20 -1.91 1.29 -0.01 -1.26 -3.07 135.00 130.72 1sue n PRO 210 Ca -0.06 0.45 0.00 0.00 -0.01 0.00 0.00 63.50 63.88 1sue n PRO 210 Cb 0.61 -2.33 0.00 0.00 -0.01 0.00 0.00 33.50 31.77 1sue n PRO 210 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1sue n GLY 211 N 1.07 0.87 3.92 -1.23 0.00 -1.26 -3.96 105.19 104.60 1sue n GLY 211 Ca 0.13 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 1sue n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sue n ASN 212 N 1.35 -0.99 -4.49 1.61 2.85 -1.25 -4.98 115.26 109.37 1sue n ASN 212 Ca 0.00 -1.01 -0.23 0.00 -0.11 0.00 0.00 54.58 53.22 1sue n ASN 212 Cb 0.41 -3.07 -0.11 0.00 1.24 0.00 0.00 39.78 38.25 1sue n ASN 212 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1sue s LYS 213 N -6.50 1.72 0.15 1.20 1.02 -1.17 -5.03 119.74 111.13 1sue s LYS 213 Ca 0.07 -1.95 0.01 0.00 0.02 0.00 0.00 55.97 54.12 1sue s LYS 213 Cb -0.03 -1.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1sue s LYS 213 CO 0.89 -0.11 0.01 0.71 -0.92 0.00 0.00 175.35 175.93 1sue s TYR 214 N -3.09 1.07 0.00 3.18 1.51 -1.26 0.56 117.35 119.33 1sue s TYR 214 Ca 0.35 -1.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 1sue s TYR 214 Cb 0.08 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.32 1sue s TYR 214 CO 0.16 -0.30 0.00 0.41 -1.11 0.00 0.00 175.55 174.70 1sue n GLY 215 N -0.18 0.36 3.73 0.71 0.00 0.79 -4.76 105.19 105.85 1sue n GLY 215 Ca -0.07 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 1sue n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sue s ALA 216 N -2.00 3.40 0.05 4.61 0.00 -1.26 0.37 121.76 126.93 1sue s ALA 216 Ca 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 1sue s ALA 216 Cb 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1sue s ALA 216 CO 0.00 0.59 0.25 0.15 0.00 0.00 0.00 175.76 176.75 1sue s LYS 217 N -2.75 0.76 0.06 0.00 1.02 -0.78 -4.88 119.74 113.19 1sue s LYS 217 Ca 0.28 -0.59 0.08 0.00 0.02 0.00 0.00 55.97 55.76 1sue s LYS 217 Cb -0.11 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 1sue s LYS 217 CO 0.21 -0.24 -0.21 -1.12 -0.92 0.00 0.00 175.35 173.07 1sue s SER 218 N -2.13 2.54 0.00 2.83 0.01 -1.26 -0.46 113.70 115.22 1sue s SER 218 Ca -0.04 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1sue s SER 218 Cb -0.01 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1sue s SER 218 CO -0.04 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1sue n GLY 219 N 1.58 3.29 0.30 3.44 0.00 0.48 -4.86 105.19 109.43 1sue n GLY 219 Ca -0.18 -1.07 0.19 0.00 0.00 0.00 0.00 46.02 44.97 1sue n GLY 219 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sue h THR 220 N 1.00 0.01 0.00 2.61 1.35 -1.82 0.14 112.91 116.19 1sue h THR 220 Ca 0.00 -0.32 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1sue h THR 220 Cb 0.00 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1sue h THR 220 CO 0.00 0.00 -0.02 0.28 -0.25 0.00 0.00 175.52 175.53 1sue h SER 221 N 0.00 0.00 0.52 5.36 0.02 -1.89 -1.16 113.55 116.40 1sue h SER 221 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1sue h SER 221 Cb 0.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1sue h SER 221 CO 0.00 0.02 -1.59 0.23 -1.14 0.00 0.00 176.83 174.34 1sue n MET 222 N -3.24 0.64 -0.03 3.45 2.81 0.46 -4.07 117.12 117.13 1sue n MET 222 Ca -0.02 0.09 -0.14 0.00 -1.81 0.00 0.00 57.70 55.82 1sue n MET 222 Cb 0.15 -1.72 -0.10 0.00 -0.71 0.00 0.00 33.22 30.84 1sue n MET 222 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sue h ALA 223 N 1.57 0.08 -0.73 3.04 0.00 -0.99 -3.35 119.26 118.88 1sue h ALA 223 Ca -0.16 -0.36 0.13 0.00 0.00 0.00 0.00 54.91 54.51 1sue h ALA 223 Cb 1.47 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 1sue h ALA 223 CO 0.03 -0.00 -0.33 1.03 0.00 0.00 0.00 179.25 179.97 1sue h SER 224 N -0.35 -1.19 -0.01 0.00 0.87 -1.40 -1.06 113.55 110.41 1sue h SER 224 Ca -0.00 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1sue h SER 224 Cb 0.76 0.62 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1sue h SER 224 CO 0.03 -0.30 0.01 1.55 -0.53 0.00 0.00 176.83 177.59 1sue h PRO 225 N -0.10 0.00 -0.24 2.24 0.13 -1.72 0.18 132.00 132.50 1sue h PRO 225 Ca 0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.33 1sue h PRO 225 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1sue h PRO 225 CO -0.79 0.00 -0.19 0.45 -0.23 0.00 0.00 178.00 177.24 1sue h HIS 226 N 0.00 0.46 0.05 1.56 3.86 -1.32 0.33 115.15 120.09 1sue h HIS 226 Ca 0.01 -0.08 -0.23 0.00 -1.16 0.00 0.00 60.37 58.90 1sue h HIS 226 Cb 0.02 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1sue h HIS 226 CO 0.00 0.60 -1.06 0.28 0.86 0.00 0.00 177.93 178.60 1sue h VAL 227 N 0.38 1.59 -0.41 2.45 2.07 -0.65 -1.57 116.25 120.12 1sue h VAL 227 Ca 0.07 -3.13 -0.12 0.00 0.82 0.00 0.00 66.70 64.34 1sue h VAL 227 Cb 0.56 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1sue h VAL 227 CO 0.04 0.90 -0.20 0.00 0.02 0.00 0.00 177.57 178.33 1sue h ALA 228 N 0.85 0.58 -0.50 1.67 0.00 -0.79 -0.82 119.26 120.24 1sue h ALA 228 Ca -0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1sue h ALA 228 Cb 1.79 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1sue h ALA 228 CO 0.16 0.54 0.25 0.78 0.00 0.00 0.00 179.25 180.98 1sue h GLY 229 N 0.67 0.76 -0.15 0.00 0.00 -0.34 -2.49 103.07 101.52 1sue h GLY 229 Ca 0.09 -0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.13 1sue h GLY 229 CO 0.06 0.35 -0.37 0.00 0.00 0.00 0.00 176.54 176.58 1sue h ALA 230 N 1.09 -0.33 -0.88 3.60 0.00 -0.96 0.26 119.26 122.05 1sue h ALA 230 Ca 0.17 0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1sue h ALA 230 Cb 0.09 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 1sue h ALA 230 CO -0.02 -0.80 0.47 0.00 0.00 0.00 0.00 179.25 178.90 1sue h ALA 231 N 0.54 1.35 -0.71 0.00 0.00 -0.95 -1.14 119.26 118.35 1sue h ALA 231 Ca 0.14 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1sue h ALA 231 Cb 0.57 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1sue h ALA 231 CO -0.51 -0.07 0.47 0.00 0.00 0.00 0.00 179.25 179.14 1sue h ALA 232 N 1.57 0.90 -0.47 0.00 0.00 -0.55 0.94 119.26 121.66 1sue h ALA 232 Ca 0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1sue h ALA 232 Cb 0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1sue h ALA 232 CO -0.36 0.33 0.18 -0.07 0.00 0.00 0.00 179.25 179.32 1sue h LEU 233 N 0.97 0.65 -0.84 0.00 3.38 -0.27 -0.21 115.31 118.99 1sue h LEU 233 Ca 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1sue h LEU 233 Cb -0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1sue h LEU 233 CO -0.06 0.65 0.42 0.40 0.09 0.00 0.00 178.44 179.94 1sue h ILE 234 N 0.61 1.26 -0.57 1.22 2.04 -0.84 -2.15 117.51 119.08 1sue h ILE 234 Ca 0.15 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 65.21 1sue h ILE 234 Cb 0.21 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1sue h ILE 234 CO -0.01 0.30 -0.07 -0.07 0.00 0.00 0.00 178.15 178.31 1sue h LEU 235 N 1.19 1.04 -2.29 1.44 3.38 -0.62 0.20 115.31 119.64 1sue h LEU 235 Ca 0.29 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sue h LEU 235 Cb 0.10 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1sue h LEU 235 CO -0.04 1.12 -0.03 0.77 0.09 0.00 0.00 178.44 180.35 1sue h SER 236 N 0.94 0.00 0.34 -0.43 4.64 -0.41 0.30 113.55 118.92 1sue h SER 236 Ca 0.15 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.15 1sue h SER 236 Cb 0.63 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 1sue h SER 236 CO 0.04 0.03 -1.87 1.17 -0.87 0.00 0.00 176.83 175.33 1sue n LYS 237 N -3.27 0.67 -3.26 4.77 4.81 -0.86 -4.53 118.16 116.50 1sue n LYS 237 Ca -0.02 0.26 -0.25 0.00 -0.87 0.00 0.00 58.31 57.43 1sue n LYS 237 Cb 0.18 -1.74 -0.07 0.00 0.02 0.00 0.00 35.03 33.42 1sue n LYS 237 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1sue n HIS 238 N -3.13 1.71 0.27 5.64 8.25 0.63 -4.93 115.22 123.65 1sue n HIS 238 Ca -0.23 -3.87 0.15 0.00 -0.26 0.00 0.00 57.72 53.52 1sue n HIS 238 Cb 1.06 -0.45 0.72 0.00 1.12 0.00 0.00 29.99 32.44 1sue n HIS 238 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1sue h PRO 239 N 3.89 0.00 -0.26 -0.41 0.13 -0.69 -0.12 132.00 134.53 1sue h PRO 239 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1sue h PRO 239 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1sue h PRO 239 CO 0.65 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.51 1sue n ASN 240 N -3.03 3.19 -4.81 1.44 3.02 -1.26 -4.94 115.26 108.87 1sue n ASN 240 Ca 0.01 -1.95 -0.33 0.00 -0.03 0.00 0.00 54.58 52.28 1sue n ASN 240 Cb 0.51 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1sue n ASN 240 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1sue s TRP 241 N -1.54 3.13 0.77 3.10 0.52 -0.06 -5.02 118.94 119.84 1sue s TRP 241 Ca 0.33 1.55 -0.08 0.00 0.02 0.00 0.00 56.10 57.92 1sue s TRP 241 Cb 0.20 -2.96 0.10 0.00 -1.15 0.00 0.00 33.47 29.66 1sue s TRP 241 CO 0.29 -0.68 1.08 0.95 0.02 0.00 0.00 176.95 178.61 1sue s THR 242 N -2.24 2.18 0.28 2.01 -4.23 -1.26 -4.87 115.64 107.50 1sue s THR 242 Ca 0.64 -0.26 -0.03 0.00 -1.18 0.00 0.00 61.69 60.85 1sue s THR 242 Cb -0.14 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 71.05 1sue s THR 242 CO 0.25 0.00 1.94 -0.55 -0.54 0.00 0.00 174.62 175.71 1sue h ASN 243 N -0.83 1.04 -0.07 3.99 -1.07 -1.91 -0.54 115.58 116.20 1sue h ASN 243 Ca -0.43 -0.02 0.04 0.00 0.07 0.00 0.00 56.30 55.96 1sue h ASN 243 Cb 1.29 -0.25 -0.04 0.00 -2.07 0.00 0.00 38.32 37.24 1sue h ASN 243 CO 0.52 0.74 -0.18 0.74 0.07 0.00 0.00 177.43 179.32 1sue h THR 244 N 1.22 0.55 -0.77 6.14 2.02 -1.92 0.66 112.91 120.82 1sue h THR 244 Ca 0.35 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.53 1sue h THR 244 Cb -0.08 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1sue h THR 244 CO -0.09 0.00 0.47 1.56 0.37 0.00 0.00 175.52 177.83 1sue h GLN 245 N -0.25 1.04 -0.11 6.66 4.20 -1.81 0.26 115.11 125.10 1sue h GLN 245 Ca 0.08 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1sue h GLN 245 Cb 0.36 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1sue h GLN 245 CO -0.22 0.73 0.03 0.28 -0.67 0.00 0.00 178.83 178.98 1sue h VAL 246 N 1.05 0.97 0.04 -0.54 2.07 -0.36 -1.50 116.25 117.97 1sue h VAL 246 Ca 0.28 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 1sue h VAL 246 Cb -0.04 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1sue h VAL 246 CO -0.05 0.01 -0.02 -0.09 0.02 0.00 0.00 177.57 177.44 1sue h ARG 247 N 0.08 -0.05 -0.87 1.57 2.43 0.56 -1.99 114.38 116.11 1sue h ARG 247 Ca 0.05 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1sue h ARG 247 Cb 0.03 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 1sue h ARG 247 CO -0.05 0.16 0.56 0.77 -1.51 0.00 0.00 179.97 179.90 1sue h SER 248 N -0.25 0.83 0.25 -3.80 0.02 -0.86 -0.16 113.55 109.59 1sue h SER 248 Ca -0.00 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1sue h SER 248 Cb 0.23 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1sue h SER 248 CO 0.01 0.52 -0.52 -1.28 -1.14 0.00 0.00 176.83 174.41 1sue h SER 249 N 0.93 0.33 -0.10 3.07 0.87 -1.07 0.45 113.55 118.03 1sue h SER 249 Ca 0.38 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1sue h SER 249 Cb 0.27 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1sue h SER 249 CO -0.15 0.80 0.02 -0.07 -0.53 0.00 0.00 176.83 176.90 1sue h LEU 250 N 0.24 0.16 -0.65 2.23 3.38 -0.63 -2.68 115.31 117.36 1sue h LEU 250 Ca 0.01 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 1sue h LEU 250 Cb 1.00 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1sue h LEU 250 CO 0.08 0.36 0.01 -0.33 0.09 0.00 0.00 178.44 178.66 1sue h GLU 251 N -0.05 1.07 -0.00 1.13 5.08 -0.76 -3.23 114.58 117.82 1sue h GLU 251 Ca 0.03 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1sue h GLU 251 Cb 0.27 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1sue h GLU 251 CO 0.00 1.03 -0.20 0.09 -1.00 0.00 0.00 179.01 178.93 1sue n ASN 252 N -4.18 0.36 -0.57 1.42 3.02 0.15 -3.64 115.26 111.81 1sue n ASN 252 Ca 0.03 -0.16 0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1sue n ASN 252 Cb 0.34 -0.10 0.17 0.00 -0.61 0.00 0.00 39.78 39.58 1sue n ASN 252 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1sue n THR 253 N -1.28 1.57 -0.83 3.41 -2.24 -1.01 -5.04 114.28 108.85 1sue n THR 253 Ca 0.09 -1.47 -0.29 0.00 -2.27 0.00 0.00 64.05 60.12 1sue n THR 253 Cb 0.32 0.14 0.21 0.00 -2.10 0.00 0.00 70.33 68.90 1sue n THR 253 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sue s THR 254 N -1.88 2.09 -0.33 4.28 -4.23 -1.23 -4.27 115.64 110.07 1sue s THR 254 Ca 0.28 0.03 -0.16 0.00 -1.18 0.00 0.00 61.69 60.66 1sue s THR 254 Cb 0.20 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 1sue s THR 254 CO 0.10 -0.04 0.41 -0.89 -0.54 0.00 0.00 174.62 173.66 1sue s THR 255 N -2.69 5.12 0.34 3.99 2.01 0.24 -4.86 115.64 119.78 1sue s THR 255 Ca 0.67 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.60 1sue s THR 255 Cb -0.22 -3.85 -0.11 0.00 0.01 0.00 0.00 72.50 68.33 1sue s THR 255 CO 0.61 -0.09 1.54 -0.54 -0.69 0.00 0.00 174.62 175.46 1sue s LYS 256 N 2.14 4.11 0.00 4.92 -0.14 -1.26 -0.54 119.74 128.97 1sue s LYS 256 Ca 0.14 2.59 0.00 0.00 -1.36 0.00 0.00 55.97 57.34 1sue s LYS 256 Cb -0.16 -2.99 0.00 0.00 -1.68 0.00 0.00 37.83 33.00 1sue s LYS 256 CO 0.12 -0.59 0.00 1.28 -0.76 0.00 0.00 175.35 175.40 1sue n LEU 257 N 1.29 0.00 0.00 3.17 4.77 -1.26 -4.86 117.00 120.11 1sue n LEU 257 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1sue n LEU 257 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1sue n LEU 257 CO 0.64 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1sue n GLY 258 N 3.41 0.94 3.76 -0.72 0.00 -1.26 -5.00 105.19 106.32 1sue n GLY 258 Ca 0.00 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 1sue n GLY 258 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sue s ASP 259 N -1.00 5.65 0.30 1.61 1.01 -1.26 -4.60 116.67 118.38 1sue s ASP 259 Ca 0.00 2.75 0.06 0.00 0.71 0.00 0.00 52.55 56.07 1sue s ASP 259 Cb 0.00 -2.64 0.82 0.00 1.01 0.00 0.00 42.92 42.11 1sue s ASP 259 CO 0.00 -1.31 1.69 0.77 0.21 0.00 0.00 175.17 176.53 1sue h SER 260 N 1.91 0.37 -0.83 0.27 4.64 -1.92 0.19 113.55 118.17 1sue h SER 260 Ca -0.51 0.16 0.14 0.00 -0.47 0.00 0.00 61.79 61.12 1sue h SER 260 Cb 1.28 0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.44 1sue h SER 260 CO 0.59 -0.03 0.54 0.15 -0.87 0.00 0.00 176.83 177.22 1sue h PHE 261 N 0.39 0.69 0.00 4.77 3.57 -1.87 0.46 116.94 124.96 1sue h PHE 261 Ca 0.60 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.87 1sue h PHE 261 Cb 1.21 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 1sue h PHE 261 CO -0.11 0.27 -2.11 0.66 -2.23 0.00 0.00 178.31 174.78 1sue n TYR 262 N -4.53 0.00 -0.13 0.41 4.01 -0.15 -1.69 117.16 115.09 1sue n TYR 262 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1sue n TYR 262 Cb 0.48 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 1sue n TYR 262 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1sue n TYR 263 N -2.54 0.00 -4.80 -0.72 4.02 0.48 -4.95 117.16 108.64 1sue n TYR 263 Ca -0.23 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 1sue n TYR 263 Cb 0.95 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 1sue n TYR 263 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sue n GLY 264 N -0.08 1.51 0.09 2.72 0.00 0.16 -1.22 105.19 108.37 1sue n GLY 264 Ca 0.00 -0.60 0.15 0.00 0.00 0.00 0.00 46.02 45.57 1sue n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sue n LYS 265 N 5.93 0.84 0.00 1.61 4.76 0.41 -4.06 118.16 127.65 1sue n LYS 265 Ca 0.00 -0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1sue n LYS 265 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1sue n LYS 265 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sue n GLY 266 N 1.18 0.14 3.78 0.72 0.00 -0.36 -4.24 105.19 106.41 1sue n GLY 266 Ca 0.18 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 1sue n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sue s LEU 267 N 0.00 4.54 0.36 0.99 2.96 0.29 -0.05 118.68 127.77 1sue s LEU 267 Ca 0.00 1.49 -0.28 0.00 -0.22 0.00 0.00 54.13 55.12 1sue s LEU 267 Cb 0.00 -3.17 -0.10 0.00 0.50 0.00 0.00 46.19 43.42 1sue s LEU 267 CO 0.00 0.18 1.31 0.27 -1.32 0.00 0.00 176.35 176.79 1sue s ILE 268 N -0.87 2.66 -0.37 6.68 -4.36 -1.03 0.80 121.20 124.72 1sue s ILE 268 Ca 0.34 0.64 0.01 0.00 -0.26 0.00 0.00 60.65 61.38 1sue s ILE 268 Cb -0.21 -3.40 0.12 0.00 1.25 0.00 0.00 42.46 40.21 1sue s ILE 268 CO 0.23 0.13 0.16 0.21 0.24 0.00 0.00 174.94 175.92 1sue s ASN 269 N -0.56 3.89 0.30 4.36 3.84 -1.26 -4.55 114.94 120.96 1sue s ASN 269 Ca 0.52 -2.13 0.02 0.00 0.21 0.00 0.00 52.86 51.48 1sue s ASN 269 Cb -0.39 -0.99 0.47 0.00 -0.55 0.00 0.00 41.25 39.79 1sue s ASN 269 CO 0.52 -0.34 1.79 1.62 -2.79 0.00 0.00 177.10 177.90 1sue h VAL 270 N 5.91 1.23 -0.25 -5.21 3.04 -1.32 0.23 116.25 119.88 1sue h VAL 270 Ca -0.07 -1.01 -0.00 0.00 -1.01 0.00 0.00 66.70 64.61 1sue h VAL 270 Cb 0.97 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 1sue h VAL 270 CO 0.47 0.34 0.14 -0.08 -1.01 0.00 0.00 177.57 177.43 1sue h GLU 271 N 0.54 0.34 -0.41 4.17 4.81 -1.69 -0.87 114.58 121.47 1sue h GLU 271 Ca 0.10 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1sue h GLU 271 Cb 0.48 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1sue h GLU 271 CO 0.03 0.28 0.02 0.00 -0.73 0.00 0.00 179.01 178.61 1sue h ALA 272 N 1.04 0.55 -0.92 2.92 0.00 -1.82 -3.18 119.26 117.85 1sue h ALA 272 Ca 0.09 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.89 1sue h ALA 272 Cb 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1sue h ALA 272 CO -0.02 0.32 0.59 0.00 0.00 0.00 0.00 179.25 180.14 1sue h ALA 273 N 0.90 1.78 0.00 0.00 0.00 -0.47 -0.29 119.26 121.17 1sue h ALA 273 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sue h ALA 273 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sue h ALA 273 CO 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1sue n ALA 274 N -2.41 2.56 -0.48 0.00 0.00 -0.37 -4.80 120.51 115.00 1sue n ALA 274 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1sue n ALA 274 Cb 0.46 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1sue n ALA 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54