#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iio s SER -2 N 0.00 -0.52 0.48 1.61 0.01 -1.26 -5.03 113.70 108.98 1iio s SER -2 Ca 0.00 0.95 0.13 0.00 1.31 0.00 0.00 55.95 58.34 1iio s SER -2 Cb 0.00 1.03 1.12 0.00 0.21 0.00 0.00 66.02 68.38 1iio s SER -2 CO 0.00 -0.16 2.10 1.12 0.41 0.00 0.00 173.24 176.71 1iio h HIS -1 N 4.82 0.21 -3.39 2.43 -0.00 -2.10 -3.48 115.15 113.64 1iio h HIS -1 Ca -0.28 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 1iio h HIS -1 Cb 1.18 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 1iio h HIS -1 CO 0.27 0.13 -0.85 -1.33 -0.00 0.00 0.00 177.93 176.15 1iio n MET 1 N -4.50 -4.04 -3.64 5.12 0.00 -1.26 -5.07 117.12 103.73 1iio n MET 1 Ca 0.01 3.05 -0.09 0.00 0.00 0.00 0.00 57.70 60.67 1iio n MET 1 Cb 0.13 -3.55 -0.07 0.00 0.00 0.00 0.00 33.22 29.73 1iio n MET 1 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1iio s LYS 2 N -4.37 0.58 -0.11 0.03 2.20 -1.26 -5.05 119.74 111.75 1iio s LYS 2 Ca 0.00 0.74 0.05 0.00 -0.36 0.00 0.00 55.97 56.40 1iio s LYS 2 Cb 0.00 0.25 0.15 0.00 -1.51 0.00 0.00 37.83 36.72 1iio s LYS 2 CO 0.00 -0.08 1.18 -1.33 -0.36 0.00 0.00 175.35 174.76 1iio n MET 3 N 2.65 0.46 0.00 4.03 2.81 -1.26 -5.03 117.12 120.78 1iio n MET 3 Ca -0.14 -1.13 0.00 0.00 -1.81 0.00 0.00 57.70 54.62 1iio n MET 3 Cb 0.56 0.44 0.00 0.00 -0.71 0.00 0.00 33.22 33.51 1iio n MET 3 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iio n GLY 4 N -0.49 0.68 0.00 3.03 0.00 -1.26 -4.85 105.19 102.30 1iio n GLY 4 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1iio n GLY 4 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1iio n VAL 5 N 0.00 0.15 -0.28 1.61 3.14 -1.26 -3.86 118.33 117.83 1iio n VAL 5 Ca 0.00 0.04 0.08 0.00 -2.96 0.00 0.00 64.34 61.50 1iio n VAL 5 Cb 0.00 -0.61 0.20 0.00 -1.06 0.00 0.00 33.84 32.37 1iio n VAL 5 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1iio h LYS 6 N 0.00 0.09 0.03 1.45 3.64 -1.94 0.86 116.57 120.72 1iio h LYS 6 Ca 0.00 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 1iio h LYS 6 Cb 0.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1iio h LYS 6 CO 0.00 0.06 -0.99 0.93 -2.27 0.00 0.00 179.45 177.18 1iio h GLU 7 N 0.10 0.22 0.18 1.90 4.39 -1.92 -2.59 114.58 116.85 1iio h GLU 7 Ca 0.47 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1iio h GLU 7 Cb 0.87 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1iio h GLU 7 CO -0.73 1.05 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.64 1iio h ASP 8 N 0.10 -0.21 -0.18 1.42 3.32 0.24 0.22 116.42 121.33 1iio h ASP 8 Ca -0.07 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1iio h ASP 8 Cb 1.67 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.26 1iio h ASP 8 CO 0.15 0.03 0.00 0.40 -1.72 0.00 0.00 179.24 178.11 1iio h ILE 9 N -0.45 1.25 -0.45 0.35 2.04 0.08 -1.70 117.51 118.63 1iio h ILE 9 Ca -0.03 -0.84 0.13 0.00 1.00 0.00 0.00 64.86 65.13 1iio h ILE 9 Cb 0.34 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1iio h ILE 9 CO 0.04 0.25 0.34 -0.09 0.00 0.00 0.00 178.15 178.69 1iio h ARG 10 N 0.08 0.00 -0.42 2.37 2.43 -1.45 0.41 114.38 117.80 1iio h ARG 10 Ca 0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1iio h ARG 10 Cb 0.37 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1iio h ARG 10 CO 0.01 0.00 0.14 0.78 -1.51 0.00 0.00 179.97 179.39 1iio h GLY 11 N 0.00 0.70 2.00 2.80 0.00 0.37 0.15 103.07 109.08 1iio h GLY 11 Ca 0.21 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1iio h GLY 11 CO -0.00 0.38 -0.33 1.46 0.00 0.00 0.00 176.54 178.05 1iio h GLN 12 N 0.54 0.00 -0.25 4.80 4.20 0.07 -2.72 115.11 121.75 1iio h GLN 12 Ca 0.14 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 1iio h GLN 12 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1iio h GLN 12 CO -0.01 0.33 -0.30 0.82 -0.67 0.00 0.00 178.83 179.01 1iio h ILE 13 N 0.00 1.31 -0.19 2.54 2.04 0.30 0.13 117.51 123.65 1iio h ILE 13 Ca -0.00 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.40 1iio h ILE 13 Cb 0.63 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1iio h ILE 13 CO 0.04 0.47 0.06 0.40 0.00 0.00 0.00 178.15 179.12 1iio h ILE 14 N 0.37 0.95 -0.52 -0.67 1.08 -0.49 0.25 117.51 118.48 1iio h ILE 14 Ca 0.03 -0.05 -0.09 0.00 -0.39 0.00 0.00 64.86 64.36 1iio h ILE 14 Cb 0.87 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 1iio h ILE 14 CO 0.07 0.03 -0.05 1.23 -0.69 0.00 0.00 178.15 178.74 1iio h GLY 15 N 0.15 0.99 1.61 5.37 0.00 -1.47 0.14 103.07 109.85 1iio h GLY 15 Ca 0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1iio h GLY 15 CO -0.09 0.67 0.21 0.00 0.00 0.00 0.00 176.54 177.33 1iio h ALA 16 N 1.11 1.65 0.00 3.60 0.00 -0.05 -1.99 119.26 123.59 1iio h ALA 16 Ca 0.15 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 16 Cb 0.56 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1iio h ALA 16 CO 0.03 0.30 -1.20 -0.07 0.00 0.00 0.00 179.25 178.31 1iio h LEU 17 N 0.53 0.00 -5.78 0.00 3.38 -0.07 -2.97 115.31 110.40 1iio h LEU 17 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 1iio h LEU 17 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1iio h LEU 17 CO -0.02 0.92 1.80 0.00 0.09 0.00 0.00 178.44 181.22 1iio n ALA 18 N -2.40 2.79 0.00 1.53 0.00 0.46 -3.01 120.51 119.87 1iio n ALA 18 Ca -0.06 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1iio n ALA 18 Cb 0.95 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1iio n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iio n GLY 19 N 3.94 0.00 0.00 0.00 0.00 -1.26 -4.98 105.19 102.88 1iio n GLY 19 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1iio n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iio n ALA 20 N 0.00 0.00 -1.00 4.61 0.00 -1.16 -4.31 120.51 118.64 1iio n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iio n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iio n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iio n ASP 21 N -1.31 0.00 -2.97 0.00 8.00 -1.26 -4.85 116.55 114.16 1iio n ASP 21 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1iio n ASP 21 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1iio n ASP 21 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1iio n PHE 22 N 0.00 -2.33 -0.91 1.24 1.16 -1.26 -4.62 117.46 110.74 1iio n PHE 22 Ca 0.00 -0.10 -0.31 0.00 -1.87 0.00 0.00 57.45 55.18 1iio n PHE 22 Cb 0.00 -0.15 -0.03 0.00 -1.61 0.00 0.00 39.48 37.69 1iio n PHE 22 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1iio n PRO 23 N -2.38 1.82 0.00 3.97 -0.04 -1.26 -4.00 135.00 133.12 1iio n PRO 23 Ca 0.02 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1iio n PRO 23 Cb 0.07 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 1iio n PRO 23 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1iio n ILE 24 N 4.96 0.00 -0.63 0.52 2.08 -1.26 -2.58 119.36 122.44 1iio n ILE 24 Ca 0.46 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.47 1iio n ILE 24 Cb 0.24 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.08 1iio n ILE 24 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1iio n ASN 25 N 0.00 2.03 -1.38 4.38 5.03 -1.26 -3.97 115.26 120.09 1iio n ASN 25 Ca 0.00 -2.41 0.14 0.00 0.87 0.00 0.00 54.58 53.18 1iio n ASN 25 Cb 0.00 -0.80 -0.08 0.00 -1.02 0.00 0.00 39.78 37.88 1iio n ASN 25 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1iio n SER 26 N 6.72 -7.12 -0.27 6.41 3.41 -0.83 -2.11 113.62 119.83 1iio n SER 26 Ca 0.37 1.37 0.26 0.00 -0.26 0.00 0.00 58.87 60.60 1iio n SER 26 Cb 0.27 -4.69 0.61 0.00 -0.26 0.00 0.00 64.21 60.13 1iio n SER 26 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1iio h PRO 27 N -1.25 0.22 -0.01 4.33 0.11 -1.90 -1.19 132.00 132.31 1iio h PRO 27 Ca -0.16 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.96 1iio h PRO 27 Cb 1.21 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 1iio h PRO 27 CO 0.06 0.15 -0.42 0.93 -0.21 0.00 0.00 178.00 178.51 1iio h GLU 28 N 0.23 -0.55 0.19 1.05 4.39 -1.98 0.25 114.58 118.16 1iio h GLU 28 Ca 0.52 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.25 1iio h GLU 28 Cb 1.61 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 1iio h GLU 28 CO -0.14 -0.36 -0.09 1.49 -1.16 0.00 0.00 179.01 178.74 1iio h GLU 29 N -0.57 -0.24 -1.00 2.33 4.57 -0.76 -2.38 114.58 116.53 1iio h GLU 29 Ca 0.05 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.46 1iio h GLU 29 Cb 0.65 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.18 1iio h GLU 29 CO -0.32 -0.04 0.59 1.37 -1.18 0.00 0.00 179.01 179.42 1iio h LEU 30 N -1.04 0.72 -1.21 1.64 8.10 -1.32 1.95 115.31 124.16 1iio h LEU 30 Ca -0.03 0.11 -0.04 0.00 0.11 0.00 0.00 57.88 58.03 1iio h LEU 30 Cb 0.31 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.50 1iio h LEU 30 CO 0.04 0.20 0.06 -0.03 -4.11 0.00 0.00 178.44 174.60 1iio h MET 31 N 0.68 0.61 -0.04 0.17 4.05 -0.58 -0.87 114.93 118.94 1iio h MET 31 Ca 0.60 -0.12 -0.09 0.00 -0.28 0.00 0.00 59.70 59.81 1iio h MET 31 Cb 1.02 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 1iio h MET 31 CO -0.42 0.59 -0.40 0.00 0.23 0.00 0.00 176.91 176.90 1iio h ALA 32 N 1.48 1.25 -0.60 0.39 0.00 0.34 -2.89 119.26 119.25 1iio h ALA 32 Ca 0.13 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1iio h ALA 32 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1iio h ALA 32 CO 0.00 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.84 1iio h ALA 33 N 1.52 0.97 -0.98 0.00 0.00 0.92 -3.40 119.26 118.29 1iio h ALA 33 Ca 0.01 -0.28 -0.72 0.00 0.00 0.00 0.00 54.91 53.92 1iio h ALA 33 Cb 0.74 -0.23 0.08 0.00 0.00 0.00 0.00 17.79 18.38 1iio h ALA 33 CO 0.06 0.64 -0.20 1.28 0.00 0.00 0.00 179.25 181.02 1iio n LEU 34 N -4.21 -0.56 -0.33 0.00 4.32 -0.94 -4.74 117.00 110.54 1iio n LEU 34 Ca 0.04 1.12 0.36 0.00 -0.02 0.00 0.00 56.01 57.50 1iio n LEU 34 Cb 0.31 -0.91 0.75 0.00 -1.62 0.00 0.00 43.42 41.94 1iio n LEU 34 CO 0.43 -2.35 1.33 1.55 -1.22 0.00 0.00 177.39 177.13 1iio h PRO 35 N 2.04 0.00 0.00 3.23 0.13 -1.88 0.77 132.00 136.30 1iio h PRO 35 Ca -0.40 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.65 1iio h PRO 35 Cb 1.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1iio h PRO 35 CO 0.60 0.00 -0.38 -0.97 -0.23 0.00 0.00 178.00 177.02 1iio h ASN 36 N 0.00 0.00 0.00 1.44 -1.24 -1.92 -3.48 115.58 110.38 1iio h ASN 36 Ca 0.57 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.58 1iio h ASN 36 Cb 2.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.38 1iio h ASN 36 CO -0.01 0.38 0.00 0.61 -1.29 0.00 0.00 177.43 177.13 1iio n GLY 37 N 0.21 2.35 0.14 1.57 0.00 0.27 -4.73 105.19 104.99 1iio n GLY 37 Ca -0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 1iio n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iio h PRO 38 N 0.00 0.38 0.00 1.61 0.13 -1.83 -3.33 132.00 128.96 1iio h PRO 38 Ca 0.00 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1iio h PRO 38 Cb 0.00 0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.37 1iio h PRO 38 CO 0.00 1.29 0.00 -0.40 -0.23 0.00 0.00 178.00 178.66 1iio n ASP 39 N -3.58 0.00 -4.76 1.44 5.75 -1.25 -4.49 116.55 109.67 1iio n ASP 39 Ca -0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.17 1iio n ASP 39 Cb 1.07 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 1iio n ASP 39 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1iio n THR 40 N 0.00 2.20 -4.35 2.12 5.66 -1.26 -4.75 114.28 113.90 1iio n THR 40 Ca 0.00 -0.50 -0.34 0.00 -3.05 0.00 0.00 64.05 60.16 1iio n THR 40 Cb 0.00 -1.89 -0.15 0.00 -1.55 0.00 0.00 70.33 66.74 1iio n THR 40 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1iio s THR 41 N -1.14 2.88 -1.15 1.09 -1.32 -1.26 -4.48 115.64 110.27 1iio s THR 41 Ca 0.55 -0.69 -0.07 0.00 -1.21 0.00 0.00 61.69 60.27 1iio s THR 41 Cb -0.48 -2.25 -0.08 0.00 -1.51 0.00 0.00 72.50 68.18 1iio s THR 41 CO 0.62 0.49 2.56 0.00 -2.21 0.00 0.00 174.62 176.08 1iio s LYS 43 N 2.69 4.63 -0.07 0.00 -2.85 -1.26 -4.16 119.74 118.72 1iio s LYS 43 Ca 0.54 1.74 0.00 0.00 -1.00 0.00 0.00 55.97 57.25 1iio s LYS 43 Cb 0.15 -3.15 0.02 0.00 -2.06 0.00 0.00 37.83 32.79 1iio s LYS 43 CO -0.04 0.23 -0.05 -1.12 0.10 0.00 0.00 175.35 174.46 1iio s SER 44 N -0.98 1.59 0.00 0.03 0.01 -0.05 -4.94 113.70 109.36 1iio s SER 44 Ca 0.45 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1iio s SER 44 Cb -0.30 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1iio s SER 44 CO 0.39 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1iio n GLY 45 N 4.55 0.47 1.21 3.44 0.00 -1.26 -2.76 105.19 110.84 1iio n GLY 45 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1iio n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iio n ASP 46 N 1.42 0.00 -4.72 1.61 8.00 -1.26 -5.09 116.55 116.51 1iio n ASP 46 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1iio n ASP 46 Cb 0.00 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1iio s VAL 47 N -1.60 2.97 -0.11 2.53 1.01 -1.11 -5.02 120.40 119.07 1iio s VAL 47 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1iio s VAL 47 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1iio s VAL 47 CO 0.00 0.06 -0.12 -1.61 0.00 0.00 0.00 175.10 173.43 1iio s GLU 48 N 1.05 3.16 -0.07 2.72 2.02 -1.26 -0.87 118.70 125.45 1iio s GLU 48 Ca 0.67 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 55.03 1iio s GLU 48 Cb -0.40 -2.60 0.01 0.00 0.10 0.00 0.00 34.13 31.24 1iio s GLU 48 CO 0.31 0.36 -0.13 -0.51 0.02 0.00 0.00 175.26 175.30 1iio s LEU 49 N -0.01 1.69 0.00 1.80 2.01 -1.26 -4.89 118.68 118.02 1iio s LEU 49 Ca -0.03 -0.32 0.00 0.00 0.01 0.00 0.00 54.13 53.79 1iio s LEU 49 Cb -0.14 -0.88 0.00 0.00 0.01 0.00 0.00 46.19 45.18 1iio s LEU 49 CO 0.04 0.05 0.00 2.29 1.01 0.00 0.00 176.35 179.74 1iio n LYS 50 N 3.77 0.00 0.08 1.70 2.85 -1.26 0.94 118.16 126.24 1iio n LYS 50 Ca -0.22 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.82 1iio n LYS 50 Cb 0.52 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.76 1iio n LYS 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iio h ALA 51 N 1.81 -0.06 0.36 0.58 0.00 -1.85 -1.21 119.26 118.90 1iio h ALA 51 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1iio h ALA 51 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1iio h ALA 51 CO 0.00 0.55 -0.18 1.03 0.00 0.00 0.00 179.25 180.66 1iio h SER 52 N 0.02 -0.41 -0.23 0.00 0.87 -1.92 1.03 113.55 112.89 1iio h SER 52 Ca -0.18 -0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 60.15 1iio h SER 52 Cb 1.81 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.88 1iio h SER 52 CO 0.21 -0.04 -0.19 0.44 -0.53 0.00 0.00 176.83 176.72 1iio h ASP 53 N -0.85 0.57 0.00 6.23 3.32 -1.95 -3.13 116.42 120.60 1iio h ASP 53 Ca -0.05 -0.46 -0.25 0.00 0.02 0.00 0.00 57.03 56.29 1iio h ASP 53 Cb 0.53 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 1iio h ASP 53 CO 0.08 0.91 -1.47 0.00 -1.72 0.00 0.00 179.24 177.04 1iio n ALA 54 N -2.45 0.85 0.25 3.45 0.00 -0.52 -4.31 120.51 117.78 1iio n ALA 54 Ca -0.05 -0.64 0.17 0.00 0.00 0.00 0.00 53.44 52.93 1iio n ALA 54 Cb 0.40 -0.30 0.80 0.00 0.00 0.00 0.00 19.45 20.35 1iio n ALA 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1iio h GLY 55 N -1.00 0.00 -1.20 0.00 0.00 0.17 -2.43 103.07 98.61 1iio h GLY 55 Ca -0.38 0.00 0.46 0.00 0.00 0.00 0.00 47.33 47.41 1iio h GLY 55 CO -0.23 0.00 1.07 0.06 0.00 0.00 0.00 176.54 177.44 1iio h GLN 56 N 0.00 0.04 -1.00 4.80 3.07 -1.32 0.46 115.11 121.17 1iio h GLN 56 Ca 0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.80 1iio h GLN 56 Cb 0.78 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.33 1iio h GLN 56 CO -0.00 0.03 0.00 1.33 0.09 0.00 0.00 178.83 180.28 1iio n VAL 57 N -4.25 0.79 -3.78 1.86 0.24 -0.92 -4.65 118.33 107.64 1iio n VAL 57 Ca 0.36 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.34 62.36 1iio n VAL 57 Cb 1.59 -0.88 -0.16 0.00 -1.47 0.00 0.00 33.84 32.92 1iio n VAL 57 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1iio s LEU 58 N -0.03 1.56 0.72 1.34 1.43 0.16 -5.08 118.68 118.78 1iio s LEU 58 Ca 0.01 -0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 52.00 1iio s LEU 58 Cb 0.00 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.51 1iio s LEU 58 CO 0.00 -0.30 1.12 0.42 0.23 0.00 0.00 176.35 177.82 1iio s THR 59 N 1.74 3.05 0.37 5.49 -4.23 -1.26 -4.86 115.64 115.94 1iio s THR 59 Ca -0.01 0.44 0.15 0.00 -1.18 0.00 0.00 61.69 61.09 1iio s THR 59 Cb -0.17 -2.92 0.36 0.00 1.34 0.00 0.00 72.50 71.10 1iio s THR 59 CO -0.09 -0.35 1.74 0.00 -0.54 0.00 0.00 174.62 175.38 1iio h ALA 60 N -0.47 2.07 -0.46 3.99 0.00 -1.99 0.66 119.26 123.05 1iio h ALA 60 Ca -0.46 0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.68 1iio h ALA 60 Cb 1.25 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1iio h ALA 60 CO 0.52 -0.52 0.47 0.22 0.00 0.00 0.00 179.25 179.94 1iio h ASP 61 N 0.45 0.00 0.00 0.00 1.82 -2.04 0.32 116.42 116.97 1iio h ASP 61 Ca 0.63 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 1iio h ASP 61 Cb 1.46 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.47 1iio h ASP 61 CO -0.39 0.00 0.00 0.47 -1.61 0.00 0.00 179.24 177.71 1iio n ASP 62 N -3.77 0.00 -0.36 2.28 9.92 0.23 -4.22 116.55 120.64 1iio n ASP 62 Ca 0.09 -0.80 -0.09 0.00 -0.53 0.00 0.00 54.79 53.45 1iio n ASP 62 Cb 0.66 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.06 1iio n ASP 62 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1iio n PHE 63 N -0.85 -0.37 -2.06 1.24 3.01 0.11 -2.67 117.46 115.88 1iio n PHE 63 Ca 0.10 1.06 -0.38 0.00 1.01 0.00 0.00 57.45 59.24 1iio n PHE 63 Cb 0.05 -0.57 -0.03 0.00 -0.01 0.00 0.00 39.48 38.92 1iio n PHE 63 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1iio n PRO 64 N -4.94 2.32 -2.60 -1.08 -0.04 -1.26 -1.97 135.00 125.43 1iio n PRO 64 Ca 0.02 -2.68 -0.39 0.00 -0.04 0.00 0.00 63.50 60.41 1iio n PRO 64 Cb 0.22 -3.46 -0.05 0.00 -0.04 0.00 0.00 33.50 30.17 1iio n PRO 64 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1iio s PHE 65 N 6.64 3.58 -0.66 0.54 0.08 -1.09 -4.90 117.98 122.18 1iio s PHE 65 Ca 0.59 1.74 -0.17 0.00 0.12 0.00 0.00 56.93 59.20 1iio s PHE 65 Cb 0.05 -3.12 -0.15 0.00 -0.57 0.00 0.00 43.02 39.24 1iio s PHE 65 CO 0.08 -0.25 1.86 1.63 -0.10 0.00 0.00 175.22 178.45 1iio n LYS 66 N 0.76 1.36 -1.41 0.44 5.02 -1.26 -4.78 118.16 118.29 1iio n LYS 66 Ca 0.01 -1.54 0.17 0.00 -2.02 0.00 0.00 58.31 54.93 1iio n LYS 66 Cb 0.48 -2.68 -0.09 0.00 -0.02 0.00 0.00 35.03 32.71 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1iio n SER 67 N 6.63 -7.74 -0.16 4.39 7.64 -1.17 -2.50 113.62 120.71 1iio n SER 67 Ca 0.44 1.39 0.27 0.00 1.01 0.00 0.00 58.87 61.98 1iio n SER 67 Cb 0.31 -4.83 0.71 0.00 -1.01 0.00 0.00 64.21 59.39 1iio n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iio h ALA 68 N -1.39 2.78 -0.46 -0.43 0.00 -1.80 -0.74 119.26 117.23 1iio h ALA 68 Ca -0.19 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1iio h ALA 68 Cb 1.35 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1iio h ALA 68 CO 0.07 -1.02 0.28 1.05 0.00 0.00 0.00 179.25 179.63 1iio h GLU 69 N 0.02 0.55 -0.15 0.00 4.11 -1.91 0.15 114.58 117.34 1iio h GLU 69 Ca 0.41 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.66 1iio h GLU 69 Cb 1.60 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1iio h GLU 69 CO -0.01 0.36 -0.50 1.05 0.07 0.00 0.00 179.01 179.98 1iio h GLU 70 N 0.56 0.40 -0.63 1.06 4.11 -0.83 -2.81 114.58 116.46 1iio h GLU 70 Ca 0.18 -0.23 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1iio h GLU 70 Cb -0.01 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1iio h GLU 70 CO -0.07 0.81 0.22 0.28 0.07 0.00 0.00 179.01 180.32 1iio h VAL 71 N 0.32 1.24 -0.15 -1.06 2.07 -1.17 0.23 116.25 117.73 1iio h VAL 71 Ca 0.01 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1iio h VAL 71 Cb 0.99 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1iio h VAL 71 CO 0.09 0.30 -0.05 0.00 0.02 0.00 0.00 177.57 177.93 1iio h ALA 72 N 1.08 0.09 -0.14 1.67 0.00 -0.55 0.17 119.26 121.59 1iio h ALA 72 Ca 0.21 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1iio h ALA 72 Cb 0.25 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1iio h ALA 72 CO -0.01 -0.49 -0.05 -0.44 0.00 0.00 0.00 179.25 178.26 1iio h ASP 73 N -0.02 0.28 -0.34 0.00 5.19 -1.32 -2.66 116.42 117.55 1iio h ASP 73 Ca 0.08 -0.39 0.06 0.00 -0.62 0.00 0.00 57.03 56.16 1iio h ASP 73 Cb 0.14 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.52 1iio h ASP 73 CO -0.17 0.60 0.01 0.74 -3.12 0.00 0.00 179.24 177.30 1iio h THR 74 N -0.04 0.76 0.59 0.35 2.02 -0.32 0.15 112.91 116.42 1iio h THR 74 Ca 0.03 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1iio h THR 74 Cb 0.49 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1iio h THR 74 CO 0.02 0.02 -0.29 0.40 0.37 0.00 0.00 175.52 176.04 1iio h ILE 75 N 0.10 0.40 -0.96 3.11 2.04 -0.68 -1.33 117.51 120.20 1iio h ILE 75 Ca 0.17 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1iio h ILE 75 Cb 0.22 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1iio h ILE 75 CO -0.27 0.01 0.63 -0.37 0.00 0.00 0.00 178.15 178.15 1iio h VAL 76 N -0.85 1.17 0.45 1.67 -1.51 -1.33 0.79 116.25 116.65 1iio h VAL 76 Ca -0.08 -0.42 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 1iio h VAL 76 Cb 0.63 -0.16 0.00 0.00 -2.13 0.00 0.00 31.29 29.64 1iio h VAL 76 CO 0.13 0.22 -0.22 0.78 -1.23 0.00 0.00 177.57 177.26 1iio h ASN 77 N 1.23 -0.51 -0.20 4.19 2.35 -0.41 0.49 115.58 122.72 1iio h ASN 77 Ca 0.38 -0.05 -0.21 0.00 -0.55 0.00 0.00 56.30 55.87 1iio h ASN 77 Cb -0.01 0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.50 1iio h ASN 77 CO -0.12 -0.26 -0.70 0.11 -1.65 0.00 0.00 177.43 174.82 1iio h LYS 78 N -0.75 0.82 0.00 0.81 1.57 -1.12 -3.25 116.57 114.65 1iio h LYS 78 Ca -0.06 -0.62 -0.07 0.00 -1.87 0.00 0.00 60.65 58.03 1iio h LYS 78 Cb 0.53 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1iio h LYS 78 CO 0.10 1.23 -0.35 0.00 -0.57 0.00 0.00 179.45 179.87 1iio h ALA 79 N 0.59 1.42 0.00 3.86 0.00 0.55 -3.47 119.26 122.21 1iio h ALA 79 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1iio h ALA 79 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1iio h ALA 79 CO 0.15 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1iio n GLY 80 N -0.53 1.16 0.00 0.00 0.00 -0.53 -5.04 105.19 100.25 1iio n GLY 80 Ca -0.02 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36