#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iio n SER -2 N 0.00 3.90 -0.25 1.61 2.88 -1.26 -4.91 113.62 115.60 1iio n SER -2 Ca 0.00 1.16 -0.07 0.00 -1.33 0.00 0.00 58.87 58.64 1iio n SER -2 Cb 0.00 -1.61 0.05 0.00 -0.75 0.00 0.00 64.21 61.90 1iio n SER -2 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1iio h HIS -1 N 4.43 1.03 -1.20 0.66 3.86 -2.09 -3.45 115.15 118.38 1iio h HIS -1 Ca -0.48 -0.07 0.17 0.00 -1.16 0.00 0.00 60.37 58.83 1iio h HIS -1 Cb 1.23 -0.31 -0.31 0.00 1.06 0.00 0.00 27.41 29.07 1iio h HIS -1 CO 0.57 0.79 0.73 1.41 0.86 0.00 0.00 177.93 182.29 1iio s MET 1 N -5.60 0.16 0.18 2.45 -2.45 -1.26 -5.15 119.30 107.63 1iio s MET 1 Ca -0.13 0.22 -0.30 0.00 -1.25 0.00 0.00 55.69 54.23 1iio s MET 1 Cb 0.14 0.06 -0.08 0.00 1.25 0.00 0.00 34.83 36.20 1iio s MET 1 CO 0.81 -0.02 1.21 0.15 1.05 0.00 0.00 175.02 178.21 1iio s LYS 2 N 0.45 4.48 0.16 4.11 -0.14 -1.26 -4.94 119.74 122.60 1iio s LYS 2 Ca 0.01 1.88 -0.16 0.00 -1.36 0.00 0.00 55.97 56.35 1iio s LYS 2 Cb -0.04 -3.24 0.03 0.00 -1.68 0.00 0.00 37.83 32.90 1iio s LYS 2 CO -0.13 -0.11 1.82 0.52 -0.76 0.00 0.00 175.35 176.69 1iio h MET 3 N 5.35 0.56 0.00 1.68 2.86 -2.01 -3.47 114.93 119.89 1iio h MET 3 Ca -0.44 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1iio h MET 3 Cb 1.21 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1iio h MET 3 CO 0.75 0.37 0.00 0.41 1.06 0.00 0.00 176.91 179.50 1iio n GLY 4 N -1.21 3.79 0.00 8.32 0.00 -1.26 -4.93 105.19 109.89 1iio n GLY 4 Ca 0.01 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.11 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 0.70 -0.28 1.61 3.14 -1.26 -3.47 118.33 118.76 1iio n VAL 5 Ca 0.00 0.18 0.09 0.00 -2.96 0.00 0.00 64.34 61.65 1iio n VAL 5 Cb 0.00 -0.97 0.22 0.00 -1.06 0.00 0.00 33.84 32.02 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 0.12 0.03 1.45 3.11 -1.91 0.93 116.57 120.29 1iio h LYS 6 Ca 0.00 -0.01 -0.22 0.00 -2.81 0.00 0.00 60.65 57.62 1iio h LYS 6 Cb 0.12 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 1iio h LYS 6 CO 0.00 0.08 -0.98 1.49 -2.81 0.00 0.00 179.45 177.23 1iio h GLU 7 N 0.12 0.18 0.16 1.90 4.81 -1.93 -2.56 114.58 117.27 1iio h GLU 7 Ca 0.49 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1iio h GLU 7 Cb 0.92 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1iio h GLU 7 CO -0.71 1.02 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.07 1iio h ASP 8 N 0.08 -0.19 -0.22 1.04 3.32 0.37 0.23 116.42 121.05 1iio h ASP 8 Ca -0.06 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1iio h ASP 8 Cb 1.65 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.24 1iio h ASP 8 CO 0.15 0.08 0.03 0.40 -1.72 0.00 0.00 179.24 178.18 1iio h ILE 9 N -0.47 1.23 -0.28 0.35 2.04 0.15 -1.53 117.51 119.00 1iio h ILE 9 Ca -0.02 -0.78 0.08 0.00 1.00 0.00 0.00 64.86 65.14 1iio h ILE 9 Cb 0.36 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1iio h ILE 9 CO 0.04 0.24 0.22 -0.09 0.00 0.00 0.00 178.15 178.56 1iio h ARG 10 N 0.17 0.00 -0.50 2.37 2.43 -1.45 0.33 114.38 117.73 1iio h ARG 10 Ca 0.07 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1iio h ARG 10 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1iio h ARG 10 CO 0.01 0.00 0.06 0.78 -1.51 0.00 0.00 179.97 179.31 1iio h GLY 11 N 0.00 0.91 1.79 2.80 0.00 0.48 0.19 103.07 109.24 1iio h GLY 11 Ca 0.13 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 1iio h GLY 11 CO -0.00 0.58 -0.42 1.46 0.00 0.00 0.00 176.54 178.16 1iio h GLN 12 N 0.72 0.24 -0.15 4.80 4.20 -0.02 -2.79 115.11 122.11 1iio h GLN 12 Ca 0.15 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1iio h GLN 12 Cb 0.43 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1iio h GLN 12 CO 0.01 0.62 -0.17 0.82 -0.67 0.00 0.00 178.83 179.44 1iio h ILE 13 N 0.20 1.35 0.08 2.54 2.04 -0.12 0.13 117.51 123.73 1iio h ILE 13 Ca 0.02 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.53 1iio h ILE 13 Cb 0.82 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1iio h ILE 13 CO 0.06 0.40 -0.13 0.40 0.00 0.00 0.00 178.15 178.88 1iio h ILE 14 N 0.01 0.69 -0.46 -0.67 1.08 -0.60 0.30 117.51 117.85 1iio h ILE 14 Ca 0.02 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.42 1iio h ILE 14 Cb 0.72 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 1iio h ILE 14 CO 0.04 0.00 0.00 1.23 -0.69 0.00 0.00 178.15 178.74 1iio h GLY 15 N -0.27 0.81 2.00 5.37 0.00 -1.55 -1.89 103.07 107.54 1iio h GLY 15 Ca 0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1iio h GLY 15 CO -0.07 0.49 -0.14 0.00 0.00 0.00 0.00 176.54 176.82 1iio h ALA 16 N 1.30 1.36 0.00 3.60 0.00 -0.06 -2.24 119.26 123.22 1iio h ALA 16 Ca 0.14 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1iio h ALA 16 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1iio h ALA 16 CO 0.02 0.17 -1.16 -0.07 0.00 0.00 0.00 179.25 178.21 1iio h LEU 17 N 0.00 0.00 -9.83 0.00 3.38 0.33 -2.77 115.31 106.42 1iio h LEU 17 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 1iio h LEU 17 Cb 0.34 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.20 1iio h LEU 17 CO 0.02 0.95 0.66 0.00 0.09 0.00 0.00 178.44 180.16 1iio n ALA 18 N -2.39 1.88 0.00 1.53 0.00 -0.84 -2.76 120.51 117.93 1iio n ALA 18 Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1iio n ALA 18 Cb 0.95 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 0.78 2.22 1.94 0.00 0.00 -1.26 -4.63 105.19 104.23 1iio n GLY 19 Ca 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.99 -1.00 4.61 0.00 -1.11 -4.92 120.51 116.09 1iio n ALA 20 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1iio n ALA 20 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.01 0.00 -3.03 0.00 9.92 -1.26 -4.86 116.55 115.32 1iio n ASP 21 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1iio n ASP 21 Cb 0.23 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1iio n ASP 21 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1iio n PHE 22 N 0.00 -2.02 -0.85 1.24 1.16 -1.26 -4.61 117.46 111.11 1iio n PHE 22 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.31 1iio n PHE 22 Cb 0.00 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.85 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 -1.75 2.02 0.00 3.97 -0.04 -1.26 -4.05 135.00 133.89 1iio n PRO 23 Ca 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1iio n PRO 23 Cb 0.00 -2.57 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 4.56 0.00 -0.52 0.52 2.08 -1.26 -2.43 119.36 122.31 1iio n ILE 24 Ca 0.46 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.49 1iio n ILE 24 Cb 0.19 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.02 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 1.59 -1.50 4.38 5.03 -1.26 -4.01 115.26 119.49 1iio n ASN 25 Ca 0.00 -2.36 0.12 0.00 0.87 0.00 0.00 54.58 53.21 1iio n ASN 25 Cb 0.00 -0.71 -0.07 0.00 -1.02 0.00 0.00 39.78 37.98 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 6.83 -8.01 -0.27 6.41 3.41 -0.88 -2.08 113.62 119.03 1iio n SER 26 Ca 0.33 1.59 0.23 0.00 -0.26 0.00 0.00 58.87 60.77 1iio n SER 26 Cb 0.25 -5.06 0.56 0.00 -0.26 0.00 0.00 64.21 59.70 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 -0.98 0.31 0.02 4.33 0.11 -1.90 -0.84 132.00 133.05 1iio h PRO 27 Ca -0.14 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.98 1iio h PRO 27 Cb 1.26 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1iio h PRO 27 CO 0.05 0.20 -0.32 0.93 -0.21 0.00 0.00 178.00 178.65 1iio h GLU 28 N 0.32 -0.47 0.19 1.05 4.39 -1.96 0.19 114.58 118.28 1iio h GLU 28 Ca 0.51 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.23 1iio h GLU 28 Cb 1.44 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1iio h GLU 28 CO -0.18 -0.31 -0.09 1.49 -1.16 0.00 0.00 179.01 178.75 1iio h GLU 29 N -0.49 -0.25 -1.01 2.33 4.57 -0.74 -2.40 114.58 116.59 1iio h GLU 29 Ca 0.06 0.02 0.23 0.00 -1.18 0.00 0.00 59.36 58.48 1iio h GLU 29 Cb 0.57 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 29.11 1iio h GLU 29 CO -0.25 0.03 0.62 1.37 -1.18 0.00 0.00 179.01 179.60 1iio h LEU 30 N -1.00 0.62 -0.97 1.64 8.10 -1.25 1.97 115.31 124.42 1iio h LEU 30 Ca -0.03 0.10 -0.05 0.00 0.11 0.00 0.00 57.88 58.01 1iio h LEU 30 Cb 0.40 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.58 1iio h LEU 30 CO 0.04 0.16 0.19 0.24 -4.11 0.00 0.00 178.44 174.97 1iio h MET 31 N 0.57 0.94 0.00 0.17 2.86 -0.68 -0.87 114.93 117.92 1iio h MET 31 Ca 0.59 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 58.01 1iio h MET 31 Cb 1.19 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1iio h MET 31 CO -0.36 0.81 -0.22 0.00 1.06 0.00 0.00 176.91 178.19 1iio h ALA 32 N 1.30 1.28 -0.34 6.32 0.00 0.35 -2.92 119.26 125.26 1iio h ALA 32 Ca 0.20 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1iio h ALA 32 Cb 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1iio h ALA 32 CO -0.01 0.27 -0.16 0.00 0.00 0.00 0.00 179.25 179.35 1iio h ALA 33 N 1.78 0.47 -1.26 0.00 0.00 0.83 -3.40 119.26 117.68 1iio h ALA 33 Ca -0.00 -0.34 -0.40 0.00 0.00 0.00 0.00 54.91 54.16 1iio h ALA 33 Cb 0.51 -0.11 0.11 0.00 0.00 0.00 0.00 17.79 18.30 1iio h ALA 33 CO 0.03 0.39 -0.72 1.28 0.00 0.00 0.00 179.25 180.23 1iio n LEU 34 N -4.34 -2.25 -0.26 0.00 4.32 -1.00 -4.68 117.00 108.79 1iio n LEU 34 Ca -0.03 0.47 0.06 0.00 -0.02 0.00 0.00 56.01 56.50 1iio n LEU 34 Cb 0.39 -0.57 0.19 0.00 -1.62 0.00 0.00 43.42 41.81 1iio n LEU 34 CO 0.43 -3.05 0.88 -0.65 -1.22 0.00 0.00 177.39 173.78 1iio h PRO 35 N 0.07 0.17 0.00 3.23 0.11 -1.90 0.39 132.00 134.07 1iio h PRO 35 Ca -0.26 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1iio h PRO 35 Cb 0.96 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1iio h PRO 35 CO 0.29 0.11 -0.40 -2.95 -0.21 0.00 0.00 178.00 174.84 1iio h ASN 36 N 0.17 0.00 0.00 -2.05 -1.07 -1.94 -3.49 115.58 107.20 1iio h ASN 36 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.80 1iio h ASN 36 Cb 0.78 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.03 1iio h ASN 36 CO -0.61 0.40 0.00 0.61 0.07 0.00 0.00 177.43 177.90 1iio n GLY 37 N 0.29 2.47 0.00 9.14 0.00 0.13 -4.91 105.19 112.31 1iio n GLY 37 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1iio n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iio n PRO 38 N 0.00 0.00 -2.73 1.61 -0.04 -1.26 -3.23 135.00 129.35 1iio n PRO 38 Ca 0.00 0.35 0.01 0.00 -0.04 0.00 0.00 63.50 63.82 1iio n PRO 38 Cb 0.00 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1iio n PRO 38 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1iio s ASP 39 N -2.09 -0.24 0.30 3.54 1.47 -1.24 -3.14 116.67 115.26 1iio s ASP 39 Ca 0.00 -0.15 -0.30 0.00 1.18 0.00 0.00 52.55 53.29 1iio s ASP 39 Cb 0.00 0.31 -0.11 0.00 -0.34 0.00 0.00 42.92 42.78 1iio s ASP 39 CO 0.00 -0.02 1.52 0.28 0.68 0.00 0.00 175.17 177.63 1iio s THR 40 N 1.83 2.25 -0.12 2.11 -1.32 -1.26 -4.86 115.64 114.27 1iio s THR 40 Ca 0.16 0.22 -0.26 0.00 -1.21 0.00 0.00 61.69 60.59 1iio s THR 40 Cb 0.05 -3.14 -0.02 0.00 -1.51 0.00 0.00 72.50 67.88 1iio s THR 40 CO -0.15 0.04 0.84 -0.89 -2.21 0.00 0.00 174.62 172.25 1iio s THR 41 N -0.26 4.91 -0.35 5.08 2.01 -1.26 -4.81 115.64 120.95 1iio s THR 41 Ca 0.60 1.68 -0.03 0.00 0.31 0.00 0.00 61.69 64.25 1iio s THR 41 Cb -0.46 -4.16 0.08 0.00 0.01 0.00 0.00 72.50 67.97 1iio s THR 41 CO 0.50 0.09 2.58 0.00 -0.69 0.00 0.00 174.62 177.10 1iio s LYS 43 N -1.41 4.08 -0.05 0.00 -2.85 -1.26 -4.25 119.74 114.00 1iio s LYS 43 Ca 0.49 1.43 -0.02 0.00 -1.00 0.00 0.00 55.97 56.87 1iio s LYS 43 Cb 0.32 -2.39 0.04 0.00 -2.06 0.00 0.00 37.83 33.73 1iio s LYS 43 CO -0.12 -0.20 0.10 -1.12 0.10 0.00 0.00 175.35 174.11 1iio s SER 44 N -1.74 0.27 0.00 0.03 0.01 0.13 -4.94 113.70 107.46 1iio s SER 44 Ca 0.61 0.18 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1iio s SER 44 Cb -0.19 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1iio s SER 44 CO 0.24 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1iio n GLY 45 N 4.54 0.67 0.55 3.44 0.00 -1.26 -2.69 105.19 110.44 1iio n GLY 45 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.73 0.00 -4.76 1.61 9.92 -1.26 -5.12 116.55 118.67 1iio n ASP 46 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 1iio n ASP 46 Cb 0.00 0.11 -0.02 0.00 -0.64 0.00 0.00 41.12 40.57 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1iio s VAL 47 N -1.27 2.71 -0.07 2.53 1.01 -1.09 -5.03 120.40 119.18 1iio s VAL 47 Ca 0.00 0.68 0.04 0.00 0.00 0.00 0.00 61.98 62.70 1iio s VAL 47 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1iio s VAL 47 CO 0.00 0.15 -0.19 -1.61 0.00 0.00 0.00 175.10 173.45 1iio s GLU 48 N -1.44 2.23 -0.04 2.72 2.02 -1.26 -0.69 118.70 122.24 1iio s GLU 48 Ca 0.51 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.78 1iio s GLU 48 Cb -0.40 -1.81 0.01 0.00 0.10 0.00 0.00 34.13 32.03 1iio s GLU 48 CO 0.51 0.18 0.14 -0.51 0.02 0.00 0.00 175.26 175.59 1iio s LEU 49 N 0.28 1.49 -0.13 1.80 2.01 -1.26 -4.92 118.68 117.95 1iio s LEU 49 Ca -0.11 0.19 -0.34 0.00 0.01 0.00 0.00 54.13 53.88 1iio s LEU 49 Cb -0.15 0.50 0.14 0.00 0.01 0.00 0.00 46.19 46.69 1iio s LEU 49 CO 0.05 -0.10 1.33 -1.59 1.01 0.00 0.00 176.35 177.05 1iio s LYS 50 N -0.18 0.20 0.48 1.70 -2.85 -1.26 -0.70 119.74 117.13 1iio s LYS 50 Ca -0.03 -0.10 0.20 0.00 -1.00 0.00 0.00 55.97 55.04 1iio s LYS 50 Cb -0.02 0.08 1.22 0.00 -2.06 0.00 0.00 37.83 37.04 1iio s LYS 50 CO 0.00 -0.09 1.98 0.00 0.10 0.00 0.00 175.35 177.34 1iio h ALA 51 N 2.00 2.27 0.50 0.59 0.00 -1.92 0.28 119.26 122.98 1iio h ALA 51 Ca -0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1iio h ALA 51 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1iio h ALA 51 CO 0.26 -0.43 -0.24 1.03 0.00 0.00 0.00 179.25 179.87 1iio h SER 52 N 0.20 -0.57 0.17 0.00 0.87 -1.93 0.35 113.55 112.65 1iio h SER 52 Ca 0.28 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1iio h SER 52 Cb 0.83 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1iio h SER 52 CO -0.05 -0.29 -0.08 0.44 -0.53 0.00 0.00 176.83 176.32 1iio h ASP 53 N -0.92 -0.19 -0.09 6.23 3.32 -1.92 -3.33 116.42 119.52 1iio h ASP 53 Ca -0.07 -0.34 -0.13 0.00 0.02 0.00 0.00 57.03 56.51 1iio h ASP 53 Cb 0.52 0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.12 1iio h ASP 53 CO 0.11 0.34 -0.44 0.00 -1.72 0.00 0.00 179.24 177.53 1iio h ALA 54 N -0.27 0.17 -0.76 3.45 0.00 -0.64 -3.23 119.26 117.98 1iio h ALA 54 Ca -0.02 -0.48 0.22 0.00 0.00 0.00 0.00 54.91 54.62 1iio h ALA 54 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1iio h ALA 54 CO 0.04 0.31 0.89 0.78 0.00 0.00 0.00 179.25 181.27 1iio h GLY 55 N 0.02 0.00 -1.09 0.00 0.00 -0.53 -1.69 103.07 99.77 1iio h GLY 55 Ca -0.03 0.00 0.43 0.00 0.00 0.00 0.00 47.33 47.73 1iio h GLY 55 CO 0.09 0.00 0.68 0.06 0.00 0.00 0.00 176.54 177.37 1iio h GLN 56 N 0.00 0.03 -0.22 4.80 3.07 -1.66 0.99 115.11 122.13 1iio h GLN 56 Ca 0.36 -0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.03 1iio h GLN 56 Cb 2.13 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 29.67 1iio h GLN 56 CO -0.00 0.02 -0.17 -0.39 0.09 0.00 0.00 178.83 178.38 1iio h VAL 57 N 0.03 1.22 -2.74 1.86 -1.51 -1.59 -3.42 116.25 110.12 1iio h VAL 57 Ca 0.85 -1.01 -0.56 0.00 -1.23 0.00 0.00 66.70 64.75 1iio h VAL 57 Cb 2.42 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 32.81 1iio h VAL 57 CO -0.63 0.32 1.03 -0.76 -1.23 0.00 0.00 177.57 176.30 1iio s LEU 58 N -8.74 4.21 0.64 4.19 1.43 0.34 -4.99 118.68 115.78 1iio s LEU 58 Ca -0.06 1.96 -0.15 0.00 -1.03 0.00 0.00 54.13 54.85 1iio s LEU 58 Cb 0.15 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 1iio s LEU 58 CO 0.76 -0.92 1.08 0.42 0.23 0.00 0.00 176.35 177.93 1iio s THR 59 N 4.02 3.57 0.29 5.49 -4.23 -1.26 -4.90 115.64 118.61 1iio s THR 59 Ca 0.67 0.69 0.04 0.00 -1.18 0.00 0.00 61.69 61.90 1iio s THR 59 Cb -0.28 -3.23 0.28 0.00 1.34 0.00 0.00 72.50 70.61 1iio s THR 59 CO 0.24 -0.49 1.78 0.00 -0.54 0.00 0.00 174.62 175.62 1iio h ALA 60 N 0.04 1.55 -0.03 3.99 0.00 -1.95 0.44 119.26 123.29 1iio h ALA 60 Ca -0.46 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1iio h ALA 60 Cb 1.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1iio h ALA 60 CO 0.56 -0.03 0.14 -0.44 0.00 0.00 0.00 179.25 179.48 1iio h ASP 61 N 0.75 0.00 0.00 0.00 3.32 -2.02 -1.38 116.42 117.09 1iio h ASP 61 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1iio h ASP 61 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1iio h ASP 61 CO -0.37 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.62 1iio n ASP 62 N -3.18 0.00 -0.27 6.45 8.00 0.15 -4.21 116.55 123.50 1iio n ASP 62 Ca -0.02 -0.56 -0.07 0.00 0.71 0.00 0.00 54.79 54.85 1iio n ASP 62 Cb 0.21 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 1iio n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1iio n PHE 63 N -0.85 -0.28 -1.96 1.24 3.01 -0.52 -2.73 117.46 115.36 1iio n PHE 63 Ca 0.07 0.80 -0.34 0.00 1.01 0.00 0.00 57.45 58.99 1iio n PHE 63 Cb 0.03 -0.54 -0.05 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 -4.49 1.91 -2.62 -1.08 -0.04 -1.26 -2.07 135.00 125.36 1iio n PRO 64 Ca 0.01 -2.49 -0.39 0.00 -0.04 0.00 0.00 63.50 60.59 1iio n PRO 64 Cb 0.17 -3.52 -0.05 0.00 -0.04 0.00 0.00 33.50 30.06 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 8.37 3.65 -0.66 0.54 0.40 -1.11 -4.91 117.98 124.27 1iio s PHE 65 Ca 0.63 1.76 -0.17 0.00 -0.60 0.00 0.00 56.93 58.55 1iio s PHE 65 Cb 0.04 -3.11 -0.15 0.00 0.51 0.00 0.00 43.02 40.31 1iio s PHE 65 CO 0.11 -0.16 1.86 1.17 0.70 0.00 0.00 175.22 178.91 1iio n LYS 66 N 0.90 1.36 -1.43 0.44 3.00 -1.26 -4.78 118.16 116.39 1iio n LYS 66 Ca 0.00 -1.55 0.17 0.00 -0.00 0.00 0.00 58.31 56.94 1iio n LYS 66 Cb 0.47 -2.68 -0.09 0.00 0.00 0.00 0.00 35.03 32.73 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1iio n SER 67 N 6.65 -7.88 -0.19 3.14 7.64 -1.19 -2.59 113.62 119.21 1iio n SER 67 Ca 0.44 1.39 0.25 0.00 1.01 0.00 0.00 58.87 61.96 1iio n SER 67 Cb 0.31 -4.88 0.65 0.00 -1.01 0.00 0.00 64.21 59.27 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 -1.40 2.60 -0.47 -0.43 0.00 -1.78 -0.84 119.26 116.93 1iio h ALA 68 Ca -0.18 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1iio h ALA 68 Cb 1.37 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1iio h ALA 68 CO 0.07 -0.86 0.26 1.05 0.00 0.00 0.00 179.25 179.78 1iio h GLU 69 N 0.14 0.51 -0.13 0.00 4.11 -1.90 -0.11 114.58 117.19 1iio h GLU 69 Ca 0.43 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.70 1iio h GLU 69 Cb 1.48 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1iio h GLU 69 CO -0.07 0.34 -0.48 1.05 0.07 0.00 0.00 179.01 179.92 1iio h GLU 70 N 0.53 0.34 -0.41 1.06 4.11 -0.89 -2.84 114.58 116.48 1iio h GLU 70 Ca 0.19 -0.19 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1iio h GLU 70 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1iio h GLU 70 CO -0.11 0.75 0.17 0.28 0.07 0.00 0.00 179.01 180.17 1iio h VAL 71 N 0.28 1.20 -0.12 -1.06 2.07 -1.16 0.31 116.25 117.77 1iio h VAL 71 Ca 0.02 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1iio h VAL 71 Cb 0.95 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1iio h VAL 71 CO 0.08 0.22 -0.05 0.00 0.02 0.00 0.00 177.57 177.84 1iio h ALA 72 N 1.01 0.06 -0.37 1.67 0.00 -0.93 0.11 119.26 120.80 1iio h ALA 72 Ca 0.14 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1iio h ALA 72 Cb 0.19 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1iio h ALA 72 CO -0.01 -0.50 -0.20 -0.44 0.00 0.00 0.00 179.25 178.10 1iio h ASP 73 N -0.04 0.82 -0.08 0.00 3.32 -1.38 -2.61 116.42 116.46 1iio h ASP 73 Ca 0.07 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1iio h ASP 73 Cb 0.13 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1iio h ASP 73 CO -0.15 1.05 0.04 0.74 -1.72 0.00 0.00 179.24 179.20 1iio h THR 74 N 0.59 1.00 0.39 0.35 2.02 -0.10 0.15 112.91 117.31 1iio h THR 74 Ca 0.08 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1iio h THR 74 Cb 0.75 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1iio h THR 74 CO 0.06 0.01 -0.19 0.40 0.37 0.00 0.00 175.52 176.18 1iio h ILE 75 N 0.08 0.62 -0.49 3.11 2.04 -0.82 -1.53 117.51 120.52 1iio h ILE 75 Ca 0.03 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1iio h ILE 75 Cb 0.01 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1iio h ILE 75 CO -0.02 0.04 0.28 -0.37 0.00 0.00 0.00 178.15 178.08 1iio h VAL 76 N -0.62 1.16 0.24 1.67 -1.51 -1.45 0.56 116.25 116.30 1iio h VAL 76 Ca -0.05 -0.40 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1iio h VAL 76 Cb 0.46 0.53 -0.00 0.00 -2.13 0.00 0.00 31.29 30.15 1iio h VAL 76 CO 0.09 0.17 -0.13 0.78 -1.23 0.00 0.00 177.57 177.25 1iio h ASN 77 N 0.66 -0.32 -0.18 4.19 4.21 -0.68 1.02 115.58 124.48 1iio h ASN 77 Ca 0.18 0.02 -0.19 0.00 1.21 0.00 0.00 56.30 57.51 1iio h ASN 77 Cb 0.03 0.09 0.01 0.00 -1.12 0.00 0.00 38.32 37.32 1iio h ASN 77 CO -0.03 -0.22 -0.62 0.11 -1.29 0.00 0.00 177.43 175.38 1iio h LYS 78 N -0.35 0.75 -0.00 0.81 1.57 -1.22 -3.21 116.57 114.91 1iio h LYS 78 Ca -0.03 -0.56 -0.08 0.00 -1.87 0.00 0.00 60.65 58.12 1iio h LYS 78 Cb 0.28 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1iio h LYS 78 CO 0.04 1.18 -0.36 0.00 -0.57 0.00 0.00 179.45 179.74 1iio h ALA 79 N 0.57 1.39 0.00 3.86 0.00 0.16 -3.47 119.26 121.77 1iio h ALA 79 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1iio h ALA 79 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1iio h ALA 79 CO 0.13 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1iio n GLY 80 N -0.49 1.22 0.00 0.00 0.00 0.70 -5.04 105.19 101.58 1iio n GLY 80 Ca -0.02 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36