#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 6.09 -4.70 1.61 7.64 -1.26 -4.91 113.62 118.09 1iio n SER -2 Ca 0.00 -2.89 -0.38 0.00 1.01 0.00 0.00 58.87 56.61 1iio n SER -2 Cb 0.00 -1.16 -0.07 0.00 -1.01 0.00 0.00 64.21 61.97 1iio n SER -2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1iio s HIS -1 N -1.06 3.45 -0.13 1.43 4.02 -1.26 -4.97 115.29 116.77 1iio s HIS -1 Ca 0.37 0.75 -0.13 0.00 1.02 0.00 0.00 55.06 57.06 1iio s HIS -1 Cb 0.24 -2.52 -0.05 0.00 -1.02 0.00 0.00 32.58 29.23 1iio s HIS -1 CO -0.05 0.11 -0.27 -1.33 1.02 0.00 0.00 174.74 174.21 1iio n MET 1 N 3.98 0.42 0.00 1.40 2.81 -1.26 -5.06 117.12 119.41 1iio n MET 1 Ca -0.08 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1iio n MET 1 Cb 0.51 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 1iio n MET 1 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1iio n LYS 2 N -4.20 0.00 -1.69 0.03 3.00 -1.26 -5.13 118.16 108.91 1iio n LYS 2 Ca -0.16 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.71 1iio n LYS 2 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.46 1iio n LYS 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1iio n MET 3 N 0.00 2.26 0.00 1.64 1.56 -1.26 -4.77 117.12 116.55 1iio n MET 3 Ca 0.00 0.81 0.00 0.00 -0.27 0.00 0.00 57.70 58.24 1iio n MET 3 Cb 0.00 -2.54 0.00 0.00 2.15 0.00 0.00 33.22 32.83 1iio n MET 3 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1iio n GLY 4 N 2.74 -0.70 0.00 -5.12 0.00 -1.26 -4.95 105.19 95.91 1iio n GLY 4 Ca 0.13 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.36 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 0.49 -0.28 1.61 3.14 -1.26 -3.63 118.33 118.40 1iio n VAL 5 Ca 0.00 0.12 0.07 0.00 -2.96 0.00 0.00 64.34 61.57 1iio n VAL 5 Cb 0.00 -0.84 0.19 0.00 -1.06 0.00 0.00 33.84 32.12 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 0.08 0.04 1.45 3.64 -1.92 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 0.15 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1iio h LYS 6 CO 0.00 0.06 -1.00 1.49 -2.27 0.00 0.00 179.45 177.72 1iio h GLU 7 N 0.09 0.22 0.17 1.90 4.81 -1.97 -2.73 114.58 117.08 1iio h GLU 7 Ca 0.46 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1iio h GLU 7 Cb 0.83 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1iio h GLU 7 CO -0.73 1.06 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.08 1iio h ASP 8 N 0.10 -0.20 -0.27 1.04 5.19 0.17 0.21 116.42 122.67 1iio h ASP 8 Ca -0.07 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.18 1iio h ASP 8 Cb 1.68 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.23 1iio h ASP 8 CO 0.16 0.03 0.08 0.40 -3.12 0.00 0.00 179.24 176.79 1iio h ILE 9 N -0.42 1.20 -0.25 0.35 2.04 0.25 -0.80 117.51 119.88 1iio h ILE 9 Ca -0.02 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.28 1iio h ILE 9 Cb 0.32 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1iio h ILE 9 CO 0.04 0.21 0.21 -0.09 0.00 0.00 0.00 178.15 178.52 1iio h ARG 10 N 0.27 0.00 -0.60 2.37 2.43 -1.43 0.42 114.38 117.84 1iio h ARG 10 Ca 0.09 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1iio h ARG 10 Cb 0.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1iio h ARG 10 CO -0.00 0.00 0.12 0.78 -1.51 0.00 0.00 179.97 179.36 1iio h GLY 11 N 0.00 1.05 1.89 2.80 0.00 0.89 0.20 103.07 109.89 1iio h GLY 11 Ca 0.12 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 1iio h GLY 11 CO -0.00 0.63 -0.53 1.46 0.00 0.00 0.00 176.54 178.10 1iio h GLN 12 N 0.88 0.12 -0.04 4.80 4.20 0.20 -2.78 115.11 122.50 1iio h GLN 12 Ca 0.18 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1iio h GLN 12 Cb 0.39 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1iio h GLN 12 CO 0.01 0.62 -0.07 0.82 -0.67 0.00 0.00 178.83 179.53 1iio h ILE 13 N 0.10 1.43 0.06 2.54 2.04 -0.05 0.56 117.51 124.19 1iio h ILE 13 Ca -0.00 -1.39 0.01 0.00 1.00 0.00 0.00 64.86 64.48 1iio h ILE 13 Cb 0.97 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 1iio h ILE 13 CO 0.08 0.38 -0.14 0.40 0.00 0.00 0.00 178.15 178.86 1iio h ILE 14 N -0.41 0.67 -0.48 -0.67 1.08 -0.65 0.28 117.51 117.34 1iio h ILE 14 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1iio h ILE 14 Cb 0.65 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1iio h ILE 14 CO 0.02 0.00 0.06 1.23 -0.69 0.00 0.00 178.15 178.77 1iio h GLY 15 N -0.27 0.81 2.00 5.37 0.00 -1.57 -1.84 103.07 107.57 1iio h GLY 15 Ca 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1iio h GLY 15 CO -0.09 0.46 -0.18 0.00 0.00 0.00 0.00 176.54 176.73 1iio h ALA 16 N 1.35 1.55 0.00 3.60 0.00 -0.13 -2.24 119.26 123.40 1iio h ALA 16 Ca 0.15 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1iio h ALA 16 Cb 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1iio h ALA 16 CO 0.01 0.22 -0.98 -0.07 0.00 0.00 0.00 179.25 178.43 1iio h LEU 17 N 0.00 0.00 -9.63 0.00 3.38 0.32 -3.11 115.31 106.27 1iio h LEU 17 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 1iio h LEU 17 Cb 0.34 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.17 1iio h LEU 17 CO 0.02 0.95 0.76 0.00 0.09 0.00 0.00 178.44 180.26 1iio n ALA 18 N -2.34 1.72 0.00 1.53 0.00 -0.83 -2.62 120.51 117.97 1iio n ALA 18 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1iio n ALA 18 Cb 0.92 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 2.62 1.89 1.98 0.00 0.00 -1.26 -4.72 105.19 105.70 1iio n GLY 19 Ca 0.12 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.04 -1.00 4.61 0.00 -1.08 -4.94 120.51 116.06 1iio n ALA 20 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 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 -2.03 0.00 -3.12 0.00 9.92 -1.26 -4.85 116.55 115.21 1iio n ASP 21 Ca 0.05 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.17 1iio n ASP 21 Cb 0.23 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 40.85 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 -2.75 -0.66 1.24 1.16 -1.26 -4.57 117.46 110.62 1iio n PHE 22 Ca 0.00 -0.36 -0.24 0.00 -1.87 0.00 0.00 57.45 54.99 1iio n PHE 22 Cb 0.00 -0.61 -0.03 0.00 -1.61 0.00 0.00 39.48 37.23 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 -3.56 1.40 0.00 3.97 -0.04 -1.26 -3.89 135.00 131.62 1iio n PRO 23 Ca 0.06 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1iio n PRO 23 Cb 0.28 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.93 0.00 -0.59 0.52 2.08 -1.26 -2.38 119.36 122.66 1iio n ILE 24 Ca 0.37 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.38 1iio n ILE 24 Cb 0.18 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.01 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 1.82 -1.46 4.38 5.03 -1.25 -4.03 115.26 119.75 1iio n ASN 25 Ca 0.00 -2.40 0.12 0.00 0.87 0.00 0.00 54.58 53.17 1iio n ASN 25 Cb 0.00 -0.76 -0.07 0.00 -1.02 0.00 0.00 39.78 37.93 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 6.86 -7.61 -0.27 6.41 3.41 -0.94 -2.06 113.62 119.42 1iio n SER 26 Ca 0.36 1.51 0.22 0.00 -0.26 0.00 0.00 58.87 60.70 1iio n SER 26 Cb 0.27 -4.89 0.55 0.00 -0.26 0.00 0.00 64.21 59.88 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 -0.99 0.33 -0.04 4.33 0.11 -1.90 -0.55 132.00 133.29 1iio h PRO 27 Ca -0.14 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.99 1iio h PRO 27 Cb 1.21 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1iio h PRO 27 CO 0.05 0.22 -0.32 0.93 -0.21 0.00 0.00 178.00 178.67 1iio h GLU 28 N 0.34 -0.43 0.15 1.05 5.08 -1.96 0.18 114.58 118.99 1iio h GLU 28 Ca 0.51 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.89 1iio h GLU 28 Cb 1.40 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1iio h GLU 28 CO -0.19 -0.29 -0.07 1.49 -1.00 0.00 0.00 179.01 178.95 1iio h GLU 29 N -0.45 -0.19 -0.91 2.33 4.57 -0.69 -2.04 114.58 117.19 1iio h GLU 29 Ca 0.07 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.46 1iio h GLU 29 Cb 0.55 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.08 1iio h GLU 29 CO -0.29 0.05 0.47 1.37 -1.18 0.00 0.00 179.01 179.43 1iio h LEU 30 N -1.01 0.52 -1.19 1.64 8.10 -1.20 1.71 115.31 123.87 1iio h LEU 30 Ca -0.02 0.12 -0.07 0.00 0.11 0.00 0.00 57.88 58.02 1iio h LEU 30 Cb 0.33 0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1iio h LEU 30 CO 0.03 0.13 -0.21 -0.03 -4.11 0.00 0.00 178.44 174.25 1iio h MET 31 N 0.56 0.30 -0.02 0.17 4.05 -0.73 -1.60 114.93 117.66 1iio h MET 31 Ca 0.54 -0.09 -0.09 0.00 -0.28 0.00 0.00 59.70 59.78 1iio h MET 31 Cb 0.92 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.68 1iio h MET 31 CO -0.44 0.50 -0.40 0.00 0.23 0.00 0.00 176.91 176.80 1iio h ALA 32 N 1.51 1.30 -0.46 0.39 0.00 0.31 -3.02 119.26 119.30 1iio h ALA 32 Ca 0.05 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1iio h ALA 32 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1iio h ALA 32 CO 0.04 0.52 -0.23 0.00 0.00 0.00 0.00 179.25 179.57 1iio h ALA 33 N 1.56 0.64 -0.25 0.00 0.00 0.60 -3.44 119.26 118.37 1iio h ALA 33 Ca 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 1iio h ALA 33 Cb 0.72 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1iio h ALA 33 CO 0.05 0.64 -0.05 1.28 0.00 0.00 0.00 179.25 181.17 1iio n LEU 34 N -4.14 -0.14 -0.21 0.00 4.32 -1.02 -4.74 117.00 111.07 1iio n LEU 34 Ca -0.01 0.29 0.17 0.00 -0.02 0.00 0.00 56.01 56.44 1iio n LEU 34 Cb 0.46 -0.24 0.49 0.00 -1.62 0.00 0.00 43.42 42.52 1iio n LEU 34 CO 0.47 -0.61 1.22 1.55 -1.22 0.00 0.00 177.39 178.80 1iio h PRO 35 N 0.53 0.43 0.00 3.23 0.13 -1.88 -1.87 132.00 132.57 1iio h PRO 35 Ca -0.10 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.89 1iio h PRO 35 Cb 0.36 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 1iio h PRO 35 CO 0.16 0.28 -0.51 -2.95 -0.23 0.00 0.00 178.00 174.75 1iio h ASN 36 N 0.44 0.00 0.00 1.44 -1.07 -1.96 -3.48 115.58 110.95 1iio h ASN 36 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.79 1iio h ASN 36 Cb 0.97 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.22 1iio h ASN 36 CO -0.15 0.51 0.00 0.61 0.07 0.00 0.00 177.43 178.47 1iio n GLY 37 N 0.25 2.09 1.85 9.14 0.00 -0.70 -4.83 105.19 112.99 1iio n GLY 37 Ca -0.01 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 1.63 -2.54 1.61 -0.04 -1.26 -4.79 135.00 129.61 1iio n PRO 38 Ca 0.00 -0.94 -0.02 0.00 -0.04 0.00 0.00 63.50 62.50 1iio n PRO 38 Cb 0.00 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 1iio n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iio n ASP 39 N 1.38 -4.70 -4.75 3.54 8.00 -1.26 -4.96 116.55 113.81 1iio n ASP 39 Ca 0.24 1.25 -0.41 0.00 0.71 0.00 0.00 54.79 56.59 1iio n ASP 39 Cb 0.63 -4.85 -0.04 0.00 -0.02 0.00 0.00 41.12 36.83 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1iio s THR 40 N -1.12 3.74 -0.29 -3.53 -1.32 -1.26 -5.02 115.64 106.84 1iio s THR 40 Ca -0.10 1.60 -0.15 0.00 -1.21 0.00 0.00 61.69 61.83 1iio s THR 40 Cb 0.01 -4.02 -0.03 0.00 -1.51 0.00 0.00 72.50 66.94 1iio s THR 40 CO 0.71 0.32 0.37 -0.89 -2.21 0.00 0.00 174.62 172.91 1iio s THR 41 N -0.63 5.17 -0.30 5.08 2.01 -1.26 -4.84 115.64 120.88 1iio s THR 41 Ca 0.47 0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.88 1iio s THR 41 Cb -0.30 -3.72 0.10 0.00 0.01 0.00 0.00 72.50 68.59 1iio s THR 41 CO 0.37 0.10 2.39 0.00 -0.69 0.00 0.00 174.62 176.79 1iio s LYS 43 N -1.34 4.53 -0.27 0.00 -2.85 -1.26 -4.34 119.74 114.20 1iio s LYS 43 Ca 0.40 1.68 -0.04 0.00 -1.00 0.00 0.00 55.97 57.01 1iio s LYS 43 Cb 0.27 -3.34 0.02 0.00 -2.06 0.00 0.00 37.83 32.72 1iio s LYS 43 CO -0.07 -0.08 0.01 -1.12 0.10 0.00 0.00 175.35 174.20 1iio s SER 44 N 0.55 4.75 1.91 0.03 0.01 -0.42 -4.94 113.70 115.58 1iio s SER 44 Ca 0.54 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1iio s SER 44 Cb -0.28 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1iio s SER 44 CO 0.31 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1iio n GLY 45 N 4.76 3.35 0.21 3.44 0.00 -1.26 -2.12 105.19 113.57 1iio n GLY 45 Ca -0.15 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1iio n GLY 45 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1iio h ASP 46 N 0.00 0.71 -4.00 1.61 3.58 -2.04 -3.45 116.42 112.84 1iio h ASP 46 Ca 0.00 -0.41 -0.52 0.00 0.42 0.00 0.00 57.03 56.52 1iio h ASP 46 Cb 0.00 -0.21 0.08 0.00 1.72 0.00 0.00 39.33 40.93 1iio h ASP 46 CO 0.00 1.16 0.54 -0.69 -2.88 0.00 0.00 179.24 177.38 1iio s VAL 47 N -3.90 2.75 -0.05 2.25 1.01 -0.90 -5.05 120.40 116.51 1iio s VAL 47 Ca -0.08 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 1iio s VAL 47 Cb 0.10 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.21 1iio s VAL 47 CO 0.86 0.02 0.10 -1.61 0.00 0.00 0.00 175.10 174.47 1iio s GLU 48 N -2.61 0.03 -0.03 2.72 2.02 -1.26 -1.30 118.70 118.26 1iio s GLU 48 Ca 0.63 0.33 -0.01 0.00 0.02 0.00 0.00 54.97 55.94 1iio s GLU 48 Cb -0.34 -0.24 0.02 0.00 0.10 0.00 0.00 34.13 33.68 1iio s GLU 48 CO 0.41 -0.19 0.05 -0.51 0.02 0.00 0.00 175.26 175.04 1iio s LEU 49 N 1.32 1.20 -0.08 1.80 2.01 -1.26 -4.88 118.68 118.79 1iio s LEU 49 Ca -0.07 0.10 -0.31 0.00 0.01 0.00 0.00 54.13 53.86 1iio s LEU 49 Cb -0.12 0.06 0.12 0.00 0.01 0.00 0.00 46.19 46.26 1iio s LEU 49 CO -0.05 -0.10 1.01 -1.59 1.01 0.00 0.00 176.35 176.63 1iio s LYS 50 N 0.83 0.62 0.55 1.70 -2.85 -1.26 -2.74 119.74 116.58 1iio s LYS 50 Ca -0.07 -0.20 0.37 0.00 -1.00 0.00 0.00 55.97 55.08 1iio s LYS 50 Cb -0.10 0.28 1.55 0.00 -2.06 0.00 0.00 37.83 37.51 1iio s LYS 50 CO -0.03 -0.26 1.79 0.00 0.10 0.00 0.00 175.35 176.95 1iio h ALA 51 N 2.05 3.14 0.36 0.59 0.00 -1.94 0.23 119.26 123.68 1iio h ALA 51 Ca -0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1iio h ALA 51 Cb 1.21 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1iio h ALA 51 CO 0.28 -1.49 -0.18 1.03 0.00 0.00 0.00 179.25 178.90 1iio h SER 52 N 0.00 -0.41 0.16 0.00 0.87 -1.94 -1.35 113.55 110.87 1iio h SER 52 Ca 0.57 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.11 1iio h SER 52 Cb 2.31 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 64.38 1iio h SER 52 CO -0.01 0.03 -0.08 0.44 -0.53 0.00 0.00 176.83 176.68 1iio h ASP 53 N -1.12 -0.19 -0.06 6.23 3.32 -1.79 -3.32 116.42 119.49 1iio h ASP 53 Ca -0.05 -0.35 -0.15 0.00 0.02 0.00 0.00 57.03 56.50 1iio h ASP 53 Cb 0.40 0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.01 1iio h ASP 53 CO 0.08 0.35 -0.53 0.00 -1.72 0.00 0.00 179.24 177.42 1iio h ALA 54 N -0.24 0.14 -1.05 3.45 0.00 -0.77 -3.25 119.26 117.55 1iio h ALA 54 Ca -0.02 -0.53 0.31 0.00 0.00 0.00 0.00 54.91 54.67 1iio h ALA 54 Cb 0.53 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1iio h ALA 54 CO 0.04 0.36 0.98 0.78 0.00 0.00 0.00 179.25 181.40 1iio h GLY 55 N 0.01 0.00 -0.77 0.00 0.00 -1.03 -1.13 103.07 100.14 1iio h GLY 55 Ca -0.05 0.00 0.37 0.00 0.00 0.00 0.00 47.33 47.65 1iio h GLY 55 CO 0.11 0.00 0.54 0.06 0.00 0.00 0.00 176.54 177.25 1iio h GLN 56 N 0.00 0.15 -0.03 4.80 3.07 -1.65 1.00 115.11 122.45 1iio h GLN 56 Ca 0.50 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 59.17 1iio h GLN 56 Cb 2.45 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 29.97 1iio h GLN 56 CO -0.01 0.10 -0.27 -0.39 0.09 0.00 0.00 178.83 178.35 1iio h VAL 57 N 0.15 1.21 -2.77 1.86 -1.51 -1.48 -3.42 116.25 110.30 1iio h VAL 57 Ca 0.79 -0.99 -0.56 0.00 -1.23 0.00 0.00 66.70 64.71 1iio h VAL 57 Cb 1.96 1.50 -0.03 0.00 -2.13 0.00 0.00 31.29 32.59 1iio h VAL 57 CO -0.70 0.29 0.99 -0.76 -1.23 0.00 0.00 177.57 176.17 1iio s LEU 58 N -8.43 4.24 0.60 4.19 1.43 0.35 -4.99 118.68 116.06 1iio s LEU 58 Ca -0.04 1.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.85 1iio s LEU 58 Cb 0.15 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1iio s LEU 58 CO 0.72 -0.85 1.05 0.42 0.23 0.00 0.00 176.35 177.92 1iio s THR 59 N 3.79 3.93 0.31 5.49 -4.23 -1.26 -4.90 115.64 118.77 1iio s THR 59 Ca 0.64 0.86 0.07 0.00 -1.18 0.00 0.00 61.69 62.08 1iio s THR 59 Cb -0.27 -3.42 0.31 0.00 1.34 0.00 0.00 72.50 70.45 1iio s THR 59 CO 0.22 -0.59 1.77 0.00 -0.54 0.00 0.00 174.62 175.47 1iio h ALA 60 N 0.27 1.72 -0.01 3.99 0.00 -1.95 0.62 119.26 123.89 1iio h ALA 60 Ca -0.46 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1iio h ALA 60 Cb 1.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1iio h ALA 60 CO 0.58 -0.11 0.06 0.22 0.00 0.00 0.00 179.25 180.00 1iio h ASP 61 N 0.72 0.00 0.00 0.00 3.58 -2.02 -1.76 116.42 116.94 1iio h ASP 61 Ca 0.59 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.04 1iio h ASP 61 Cb 0.98 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1iio h ASP 61 CO -0.40 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.43 1iio n ASP 62 N -3.20 0.00 -0.29 2.28 8.00 0.21 -4.19 116.55 119.36 1iio n ASP 62 Ca -0.03 -0.66 -0.08 0.00 0.71 0.00 0.00 54.79 54.73 1iio n ASP 62 Cb 0.13 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.16 1iio n ASP 62 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1iio h PHE 63 N 0.00 -1.38 -0.26 1.24 -1.00 -1.48 -2.95 116.94 111.12 1iio h PHE 63 Ca 0.00 0.09 -0.52 0.00 2.81 0.00 0.00 57.97 60.35 1iio h PHE 63 Cb 0.00 0.69 -0.00 0.00 3.61 0.00 0.00 35.95 40.25 1iio h PHE 63 CO 0.00 -0.28 1.83 -0.35 -1.61 0.00 0.00 178.31 177.90 1iio n PRO 64 N -4.65 1.75 -2.60 1.51 -0.04 -1.26 -2.21 135.00 127.50 1iio n PRO 64 Ca 0.01 -2.26 -0.40 0.00 -0.04 0.00 0.00 63.50 60.81 1iio n PRO 64 Cb 0.20 -3.32 -0.05 0.00 -0.04 0.00 0.00 33.50 30.28 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 7.36 3.76 -0.48 0.54 0.08 -1.11 -4.90 117.98 123.24 1iio s PHE 65 Ca 0.61 1.80 -0.26 0.00 0.12 0.00 0.00 56.93 59.20 1iio s PHE 65 Cb 0.07 -3.15 -0.24 0.00 -0.57 0.00 0.00 43.02 39.13 1iio s PHE 65 CO 0.11 -0.10 1.80 1.63 -0.10 0.00 0.00 175.22 178.56 1iio n LYS 66 N 1.37 0.92 -1.46 0.44 5.02 -1.26 -4.75 118.16 118.44 1iio n LYS 66 Ca -0.01 -1.52 0.18 0.00 -2.02 0.00 0.00 58.31 54.93 1iio n LYS 66 Cb 0.46 -2.76 -0.09 0.00 -0.02 0.00 0.00 35.03 32.61 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 8.12 -7.90 0.00 4.39 7.64 -1.20 -2.67 113.62 122.00 1iio n SER 67 Ca 0.49 1.42 0.23 0.00 1.01 0.00 0.00 58.87 62.01 1iio n SER 67 Cb 0.41 -4.98 0.72 0.00 -1.01 0.00 0.00 64.21 59.35 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 -1.45 2.37 -0.16 -0.43 0.00 -1.77 -1.23 119.26 116.60 1iio h ALA 68 Ca -0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1iio h ALA 68 Cb 1.38 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1iio h ALA 68 CO 0.07 -0.85 0.05 1.05 0.00 0.00 0.00 179.25 179.58 1iio h GLU 69 N 0.00 0.13 -0.01 0.00 4.11 -1.90 -0.76 114.58 116.14 1iio h GLU 69 Ca 0.28 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.52 1iio h GLU 69 Cb 1.37 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1iio h GLU 69 CO -0.00 0.08 -0.78 1.05 0.07 0.00 0.00 179.01 179.43 1iio h GLU 70 N 0.13 0.14 -0.42 1.06 4.11 -1.00 -2.83 114.58 115.77 1iio h GLU 70 Ca 0.07 -0.14 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1iio h GLU 70 Cb 0.04 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1iio h GLU 70 CO -0.07 0.85 0.23 0.28 0.07 0.00 0.00 179.01 180.37 1iio h VAL 71 N 0.09 1.15 -0.35 -1.06 2.07 -1.24 0.39 116.25 117.29 1iio h VAL 71 Ca -0.02 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1iio h VAL 71 Cb 1.37 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1iio h VAL 71 CO 0.11 0.16 0.21 0.00 0.02 0.00 0.00 177.57 178.07 1iio h ALA 72 N 1.09 0.45 -0.70 1.67 0.00 -1.15 0.83 119.26 121.45 1iio h ALA 72 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1iio h ALA 72 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1iio h ALA 72 CO -0.02 -0.06 0.33 0.22 0.00 0.00 0.00 179.25 179.72 1iio h ASP 73 N 0.46 0.93 -0.04 0.00 1.82 -1.22 -2.06 116.42 116.30 1iio h ASP 73 Ca 0.13 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1iio h ASP 73 Cb 0.00 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 39.77 1iio h ASP 73 CO -0.02 0.81 0.02 0.74 -1.61 0.00 0.00 179.24 179.17 1iio h THR 74 N 0.98 1.13 0.51 2.25 2.02 0.20 0.10 112.91 120.11 1iio h THR 74 Ca 0.24 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1iio h THR 74 Cb 0.13 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1iio h THR 74 CO -0.03 0.11 -0.26 0.40 0.37 0.00 0.00 175.52 176.11 1iio h ILE 75 N -0.10 0.48 -0.59 3.11 2.04 -0.75 0.13 117.51 121.83 1iio h ILE 75 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1iio h ILE 75 Cb 0.16 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1iio h ILE 75 CO -0.00 0.00 0.36 -0.37 0.00 0.00 0.00 178.15 178.13 1iio h VAL 76 N -0.70 1.18 0.06 1.67 -1.51 -1.40 0.80 116.25 116.34 1iio h VAL 76 Ca -0.07 -0.39 -0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1iio h VAL 76 Cb 0.54 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1iio h VAL 76 CO 0.11 0.18 -0.03 0.78 -1.23 0.00 0.00 177.57 177.38 1iio h ASN 77 N 0.80 -0.07 -0.10 4.19 4.21 -0.31 1.07 115.58 125.36 1iio h ASN 77 Ca 0.21 -0.18 -0.20 0.00 1.21 0.00 0.00 56.30 57.35 1iio h ASN 77 Cb -0.02 0.02 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1iio h ASN 77 CO -0.04 0.14 -0.71 0.11 -1.29 0.00 0.00 177.43 175.64 1iio h LYS 78 N -0.28 0.65 0.00 0.81 1.57 -0.67 -3.27 116.57 115.38 1iio h LYS 78 Ca -0.01 -0.57 -0.07 0.00 -1.87 0.00 0.00 60.65 58.13 1iio h LYS 78 Cb 0.25 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1iio h LYS 78 CO 0.01 1.19 -0.35 0.00 -0.57 0.00 0.00 179.45 179.73 1iio h ALA 79 N 0.48 1.41 0.00 3.86 0.00 0.57 -3.47 119.26 122.11 1iio h ALA 79 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1iio h ALA 79 Cb 1.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1iio h ALA 79 CO 0.14 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1iio n GLY 80 N -0.51 0.77 0.00 0.00 0.00 -0.40 -5.04 105.19 100.00 1iio n GLY 80 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36