#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 -4.41 0.14 1.61 3.41 -1.26 -4.83 113.62 108.29 1iio n SER -2 Ca 0.00 -0.82 0.12 0.00 -0.26 0.00 0.00 58.87 57.91 1iio n SER -2 Cb 0.00 -3.70 0.52 0.00 -0.26 0.00 0.00 64.21 60.77 1iio n SER -2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iio n HIS -1 N -4.63 0.80 -1.72 7.33 -0.00 -1.26 -4.78 115.22 110.97 1iio n HIS -1 Ca 0.03 0.34 -0.43 0.00 -0.00 0.00 0.00 57.72 57.67 1iio n HIS -1 Cb 0.53 -1.04 -0.02 0.00 -0.00 0.00 0.00 29.99 29.46 1iio n HIS -1 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1iio n MET 1 N -2.25 2.42 -5.00 -1.40 2.00 -1.26 -5.00 117.12 106.62 1iio n MET 1 Ca 0.01 0.86 -0.29 0.00 0.00 0.00 0.00 57.70 58.28 1iio n MET 1 Cb 0.18 -2.57 -0.17 0.00 0.00 0.00 0.00 33.22 30.66 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 -0.85 2.39 0.08 0.03 2.47 -1.26 -5.10 119.74 117.50 1iio s LYS 2 Ca 0.63 -0.72 -0.31 0.00 -1.56 0.00 0.00 55.97 54.01 1iio s LYS 2 Cb -0.55 -1.91 -0.09 0.00 -1.46 0.00 0.00 37.83 33.82 1iio s LYS 2 CO 0.52 0.20 1.69 -1.64 0.16 0.00 0.00 175.35 176.28 1iio s MET 3 N 0.26 4.18 0.16 4.03 -1.94 -1.26 -4.90 119.30 119.83 1iio s MET 3 Ca -0.12 2.39 -0.01 0.00 -1.71 0.00 0.00 55.69 56.24 1iio s MET 3 Cb -0.15 -3.60 -0.01 0.00 2.01 0.00 0.00 34.83 33.07 1iio s MET 3 CO 0.05 -0.76 1.37 0.78 -0.01 0.00 0.00 175.02 176.46 1iio h GLY 4 N 8.60 0.35 1.52 -0.03 0.00 -2.03 -3.13 103.07 108.34 1iio h GLY 4 Ca -0.43 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1iio h GLY 4 CO 0.93 0.52 0.00 1.55 0.00 0.00 0.00 176.54 179.54 1iio n VAL 5 N -3.74 0.76 -0.25 4.60 3.14 -1.26 -3.48 118.33 118.10 1iio n VAL 5 Ca -0.05 0.19 -0.01 0.00 -2.96 0.00 0.00 64.34 61.51 1iio n VAL 5 Cb 0.78 -1.06 0.06 0.00 -1.06 0.00 0.00 33.84 32.56 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 -0.06 0.00 1.45 3.64 -1.94 0.74 116.57 120.40 1iio h LYS 6 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1iio h LYS 6 Cb 0.07 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1iio h LYS 6 CO 0.00 -0.04 -0.64 0.93 -2.27 0.00 0.00 179.45 177.43 1iio h GLU 7 N -0.06 0.00 0.15 1.90 4.39 -1.86 -2.72 114.58 116.39 1iio h GLU 7 Ca 0.31 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 1iio h GLU 7 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1iio h GLU 7 CO -0.75 0.64 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.23 1iio h ASP 8 N 0.00 -0.17 -0.50 1.42 5.19 -0.03 0.37 116.42 122.69 1iio h ASP 8 Ca -0.01 -0.27 -0.04 0.00 -0.62 0.00 0.00 57.03 56.09 1iio h ASP 8 Cb 1.39 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.92 1iio h ASP 8 CO 0.08 0.20 0.17 0.40 -3.12 0.00 0.00 179.24 176.97 1iio h ILE 9 N -0.56 1.23 0.00 0.35 2.04 0.04 0.52 117.51 121.13 1iio h ILE 9 Ca -0.02 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1iio h ILE 9 Cb 0.43 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1iio h ILE 9 CO 0.03 0.27 -0.01 -0.09 0.00 0.00 0.00 178.15 178.35 1iio h ARG 10 N 0.68 0.00 -0.64 2.37 9.65 -1.45 0.15 114.38 125.14 1iio h ARG 10 Ca 0.16 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.01 1iio h ARG 10 Cb 0.25 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.81 1iio h ARG 10 CO -0.01 0.01 0.26 0.78 2.80 0.00 0.00 179.97 183.82 1iio h GLY 11 N 0.08 1.03 2.00 2.80 0.00 0.20 0.25 103.07 109.43 1iio h GLY 11 Ca -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 1iio h GLY 11 CO 0.00 0.53 -0.19 1.46 0.00 0.00 0.00 176.54 178.34 1iio h GLN 12 N 0.90 0.00 -0.04 4.80 4.20 -0.25 -2.54 115.11 122.18 1iio h GLN 12 Ca 0.21 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.83 1iio h GLN 12 Cb 0.20 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.99 1iio h GLN 12 CO -0.02 0.19 -0.35 0.82 -0.67 0.00 0.00 178.83 178.80 1iio h ILE 13 N 0.00 1.46 0.17 2.54 2.04 -0.12 -1.64 117.51 121.95 1iio h ILE 13 Ca -0.00 -1.84 0.01 0.00 1.00 0.00 0.00 64.86 64.03 1iio h ILE 13 Cb 0.36 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1iio h ILE 13 CO 0.02 0.52 -0.21 0.40 0.00 0.00 0.00 178.15 178.89 1iio h ILE 14 N -0.24 0.54 -0.62 -0.67 1.08 -0.32 0.28 117.51 117.56 1iio h ILE 14 Ca -0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1iio h ILE 14 Cb 1.04 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 1iio h ILE 14 CO 0.07 0.00 0.32 1.23 -0.69 0.00 0.00 178.15 179.08 1iio h GLY 15 N -0.43 0.91 2.00 5.37 0.00 -1.57 -0.61 103.07 108.74 1iio h GLY 15 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1iio h GLY 15 CO -0.08 0.39 -0.14 0.00 0.00 0.00 0.00 176.54 176.71 1iio h ALA 16 N 1.49 1.49 0.00 3.60 0.00 -0.43 -1.91 119.26 123.50 1iio h ALA 16 Ca 0.22 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1iio h ALA 16 Cb 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1iio h ALA 16 CO -0.03 0.18 -0.93 -0.07 0.00 0.00 0.00 179.25 178.40 1iio h LEU 17 N 0.00 0.00 -9.77 0.00 3.38 0.11 -2.76 115.31 106.27 1iio h LEU 17 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1iio h LEU 17 Cb 0.31 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.15 1iio h LEU 17 CO 0.02 0.93 0.74 0.00 0.09 0.00 0.00 178.44 180.22 1iio n ALA 18 N -2.34 2.01 0.00 1.53 0.00 -0.72 -2.65 120.51 118.34 1iio n ALA 18 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1iio n ALA 18 Cb 0.90 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 1.64 2.22 2.83 0.00 0.00 -1.26 -4.68 105.19 105.94 1iio n GLY 19 Ca 0.07 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.73 -1.00 4.61 0.00 -1.08 -4.94 120.51 115.37 1iio n ALA 20 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1iio n ALA 20 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.79 0.00 -3.56 0.00 8.00 -1.26 -4.82 116.55 113.11 1iio n ASP 21 Ca 0.07 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 1iio n ASP 21 Cb 0.31 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.69 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 -3.12 -0.65 1.24 1.16 -1.26 -4.60 117.46 110.23 1iio n PHE 22 Ca 0.00 -0.60 -0.36 0.00 -1.87 0.00 0.00 57.45 54.62 1iio n PHE 22 Cb 0.00 -1.42 -0.07 0.00 -1.61 0.00 0.00 39.48 36.37 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 -5.29 0.65 0.00 3.97 -0.04 -1.26 -3.47 135.00 129.56 1iio n PRO 23 Ca 0.10 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1iio n PRO 23 Cb 0.57 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 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 6.15 0.00 -0.54 0.52 2.08 -1.26 -2.81 119.36 123.49 1iio n ILE 24 Ca 0.41 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.44 1iio n ILE 24 Cb 0.33 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.16 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 1.68 -1.42 4.38 4.13 -1.23 -3.95 115.26 118.86 1iio n ASN 25 Ca 0.00 -2.37 0.10 0.00 1.68 0.00 0.00 54.58 53.99 1iio n ASN 25 Cb 0.00 -0.73 -0.06 0.00 -1.54 0.00 0.00 39.78 37.45 1iio n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1iio n SER 26 N 6.76 -7.22 -0.24 6.41 3.41 -0.86 -2.00 113.62 119.87 1iio n SER 26 Ca 0.34 1.45 0.26 0.00 -0.26 0.00 0.00 58.87 60.66 1iio n SER 26 Cb 0.25 -4.70 0.64 0.00 -0.26 0.00 0.00 64.21 60.14 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 -0.86 0.16 0.18 4.33 0.11 -1.91 -0.13 132.00 133.87 1iio h PRO 27 Ca -0.12 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.00 1iio h PRO 27 Cb 1.11 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1iio h PRO 27 CO 0.05 0.10 -0.41 0.93 -0.21 0.00 0.00 178.00 178.46 1iio h GLU 28 N 0.16 -0.65 0.16 1.05 5.08 -1.98 0.14 114.58 118.54 1iio h GLU 28 Ca 0.49 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1iio h GLU 28 Cb 1.64 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1iio h GLU 28 CO -0.10 -0.44 -0.08 1.49 -1.00 0.00 0.00 179.01 178.89 1iio h GLU 29 N -0.68 -0.21 -0.81 2.33 4.57 -0.65 -2.04 114.58 117.10 1iio h GLU 29 Ca 0.01 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.37 1iio h GLU 29 Cb 0.68 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.22 1iio h GLU 29 CO -0.20 0.02 0.34 1.37 -1.18 0.00 0.00 179.01 179.36 1iio h LEU 30 N -1.02 0.32 -1.39 1.64 8.10 -1.12 1.64 115.31 123.48 1iio h LEU 30 Ca -0.02 0.12 -0.06 0.00 0.11 0.00 0.00 57.88 58.03 1iio h LEU 30 Cb 0.33 0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.63 1iio h LEU 30 CO 0.04 0.09 -0.25 -0.03 -4.11 0.00 0.00 178.44 174.17 1iio h MET 31 N 0.45 0.08 0.00 0.17 4.05 -0.84 -1.30 114.93 117.55 1iio h MET 31 Ca 0.46 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.76 1iio h MET 31 Cb 0.74 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 1iio h MET 31 CO -0.44 0.33 -0.48 0.00 0.23 0.00 0.00 176.91 176.55 1iio h ALA 32 N 1.68 1.17 -0.50 0.39 0.00 0.29 -3.09 119.26 119.21 1iio h ALA 32 Ca 0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1iio h ALA 32 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1iio h ALA 32 CO 0.03 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.72 1iio h ALA 33 N 1.52 0.69 -0.27 0.00 0.00 0.91 -3.44 119.26 118.68 1iio h ALA 33 Ca -0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 1iio h ALA 33 Cb 0.87 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1iio h ALA 33 CO 0.06 0.65 -0.07 1.28 0.00 0.00 0.00 179.25 181.17 1iio n LEU 34 N -4.15 -0.18 -0.81 0.00 4.32 -1.04 -4.66 117.00 110.48 1iio n LEU 34 Ca 0.00 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1iio n LEU 34 Cb 0.43 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1iio n LEU 34 CO 0.46 -0.67 0.16 -0.81 -1.22 0.00 0.00 177.39 175.32 1iio n PRO 35 N 0.33 0.41 0.00 3.23 -0.04 -1.26 -2.89 135.00 134.77 1iio n PRO 35 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1iio n PRO 35 Cb 0.05 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1iio n PRO 35 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1iio n ASN 36 N 0.61 2.63 0.00 3.54 6.94 -1.26 -5.06 115.26 122.65 1iio n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1iio n ASN 36 Cb 0.16 0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 1iio n ASN 36 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iio n GLY 37 N 1.69 1.92 1.73 4.83 0.00 -1.14 -4.81 105.19 109.41 1iio n GLY 37 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 1.44 -2.56 1.61 -0.04 -1.26 -4.83 135.00 129.35 1iio n PRO 38 Ca 0.00 -0.75 -0.03 0.00 -0.04 0.00 0.00 63.50 62.68 1iio n PRO 38 Cb 0.00 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 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 1.15 -4.07 -4.77 3.54 8.00 -1.26 -4.95 116.55 114.20 1iio n ASP 39 Ca 0.17 1.28 -0.40 0.00 0.71 0.00 0.00 54.79 56.55 1iio n ASP 39 Cb 0.57 -4.97 -0.03 0.00 -0.02 0.00 0.00 41.12 36.67 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 -1.07 3.07 -0.26 -3.53 -1.32 -1.26 -5.02 115.64 106.24 1iio s THR 40 Ca -0.13 1.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.24 1iio s THR 40 Cb 0.01 -3.61 -0.05 0.00 -1.51 0.00 0.00 72.50 67.34 1iio s THR 40 CO 0.73 0.18 0.17 -0.89 -2.21 0.00 0.00 174.62 172.61 1iio s THR 41 N -1.25 5.28 -0.50 5.08 2.01 -1.26 -4.77 115.64 120.22 1iio s THR 41 Ca 0.51 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 1iio s THR 41 Cb -0.34 -3.49 0.18 0.00 0.01 0.00 0.00 72.50 68.85 1iio s THR 41 CO 0.44 0.29 2.41 0.00 -0.69 0.00 0.00 174.62 177.07 1iio s LYS 43 N -2.32 4.36 -0.24 0.00 -2.85 -1.25 -4.14 119.74 113.30 1iio s LYS 43 Ca 0.52 1.67 -0.06 0.00 -1.00 0.00 0.00 55.97 57.10 1iio s LYS 43 Cb 0.37 -3.54 -0.02 0.00 -2.06 0.00 0.00 37.83 32.58 1iio s LYS 43 CO -0.18 -0.42 0.04 -1.12 0.10 0.00 0.00 175.35 173.77 1iio s SER 44 N 1.43 4.92 1.87 0.03 0.01 -0.47 -4.94 113.70 116.55 1iio s SER 44 Ca 0.56 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1iio s SER 44 Cb -0.25 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1iio s SER 44 CO 0.23 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1iio n GLY 45 N 4.84 3.42 0.15 3.44 0.00 -1.26 -2.58 105.19 113.20 1iio n GLY 45 Ca -0.17 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1iio n GLY 45 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iio h ASP 46 N 0.00 0.85 -3.90 1.61 3.32 -2.04 -3.46 116.42 112.80 1iio h ASP 46 Ca 0.00 -0.91 -0.52 0.00 0.02 0.00 0.00 57.03 55.63 1iio h ASP 46 Cb 0.00 -0.27 0.06 0.00 0.22 0.00 0.00 39.33 39.33 1iio h ASP 46 CO 0.00 1.69 0.58 -0.69 -1.72 0.00 0.00 179.24 179.10 1iio s VAL 47 N -2.65 2.90 -0.05 -1.35 1.01 -1.07 -5.04 120.40 114.15 1iio s VAL 47 Ca -0.09 0.85 0.04 0.00 0.00 0.00 0.00 61.98 62.78 1iio s VAL 47 Cb 0.04 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1iio s VAL 47 CO 0.94 0.16 -0.17 -1.61 0.00 0.00 0.00 175.10 174.42 1iio s GLU 48 N -1.95 1.88 -0.00 2.72 2.02 -1.26 -1.36 118.70 120.74 1iio s GLU 48 Ca 0.52 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.91 1iio s GLU 48 Cb -0.36 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.27 1iio s GLU 48 CO 0.47 0.21 -0.02 -0.51 0.02 0.00 0.00 175.26 175.43 1iio s LEU 49 N 0.15 1.91 -0.26 1.80 2.01 -1.26 -4.91 118.68 118.13 1iio s LEU 49 Ca -0.07 -0.03 -0.32 0.00 0.01 0.00 0.00 54.13 53.72 1iio s LEU 49 Cb -0.13 -0.11 0.17 0.00 0.01 0.00 0.00 46.19 46.14 1iio s LEU 49 CO 0.03 0.01 1.30 -1.59 1.01 0.00 0.00 176.35 177.11 1iio s LYS 50 N 0.07 0.14 0.55 1.70 -2.85 -1.26 -1.24 119.74 116.85 1iio s LYS 50 Ca -0.00 -0.00 0.36 0.00 -1.00 0.00 0.00 55.97 55.33 1iio s LYS 50 Cb -0.02 0.07 1.52 0.00 -2.06 0.00 0.00 37.83 37.34 1iio s LYS 50 CO -0.00 -0.05 1.77 0.00 0.10 0.00 0.00 175.35 177.16 1iio h ALA 51 N 2.08 3.07 0.27 0.59 0.00 -1.94 0.27 119.26 123.60 1iio h ALA 51 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 51 Cb 1.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1iio h ALA 51 CO 0.22 -1.48 -0.13 1.03 0.00 0.00 0.00 179.25 178.90 1iio h SER 52 N 0.00 -0.31 0.17 0.00 0.87 -1.93 0.45 113.55 112.80 1iio h SER 52 Ca 0.55 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 1iio h SER 52 Cb 2.30 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 64.35 1iio h SER 52 CO -0.01 0.17 -0.08 0.44 -0.53 0.00 0.00 176.83 176.82 1iio h ASP 53 N -0.93 -0.20 0.03 6.23 5.19 -1.62 -3.22 116.42 121.90 1iio h ASP 53 Ca -0.04 -0.34 -0.06 0.00 -0.62 0.00 0.00 57.03 55.98 1iio h ASP 53 Cb 0.50 0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.07 1iio h ASP 53 CO 0.06 0.34 -0.25 0.00 -3.12 0.00 0.00 179.24 176.27 1iio h ALA 54 N -0.29 -0.01 -0.80 3.45 0.00 -0.71 -3.28 119.26 117.62 1iio h ALA 54 Ca -0.02 -0.52 0.23 0.00 0.00 0.00 0.00 54.91 54.60 1iio h ALA 54 Cb 0.52 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1iio h ALA 54 CO 0.04 0.10 0.76 0.78 0.00 0.00 0.00 179.25 180.92 1iio h GLY 55 N -0.69 0.00 -1.37 0.00 0.00 -0.77 -0.82 103.07 99.41 1iio h GLY 55 Ca -0.04 0.00 0.48 0.00 0.00 0.00 0.00 47.33 47.77 1iio h GLY 55 CO 0.05 0.00 0.90 -1.61 0.00 0.00 0.00 176.54 175.88 1iio h GLN 56 N 0.00 0.01 -1.03 4.80 5.75 -1.55 0.52 115.11 123.61 1iio h GLN 56 Ca 0.38 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.88 1iio h GLN 56 Cb 1.89 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.44 1iio h GLN 56 CO -0.00 0.01 0.00 1.33 -2.65 0.00 0.00 178.83 177.51 1iio n VAL 57 N -4.72 0.76 -3.83 2.39 0.24 -0.31 -4.66 118.33 108.20 1iio n VAL 57 Ca 0.40 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.42 1iio n VAL 57 Cb 1.58 -0.88 -0.16 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.00 1.87 0.70 1.34 1.43 0.18 -5.06 118.68 119.14 1iio s LEU 58 Ca 0.00 -1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 51.97 1iio s LEU 58 Cb 0.00 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.35 1iio s LEU 58 CO 0.00 -0.27 1.09 0.42 0.23 0.00 0.00 176.35 177.82 1iio s THR 59 N 1.63 3.42 0.39 5.49 -4.23 -1.26 -4.86 115.64 116.21 1iio s THR 59 Ca -0.03 0.57 0.19 0.00 -1.18 0.00 0.00 61.69 61.23 1iio s THR 59 Cb -0.18 -3.10 0.39 0.00 1.34 0.00 0.00 72.50 70.96 1iio s THR 59 CO -0.07 -0.50 1.74 0.00 -0.54 0.00 0.00 174.62 175.25 1iio h ALA 60 N -0.41 2.24 -0.82 3.99 0.00 -2.00 0.82 119.26 123.08 1iio h ALA 60 Ca -0.45 0.08 0.24 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 60 Cb 1.23 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1iio h ALA 60 CO 0.54 -0.69 0.61 -0.44 0.00 0.00 0.00 179.25 179.27 1iio h ASP 61 N 0.37 0.00 0.00 0.00 3.32 -2.03 0.88 116.42 118.96 1iio h ASP 61 Ca 0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.69 1iio h ASP 61 Cb 1.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1iio h ASP 61 CO -0.35 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.64 1iio n ASP 62 N -4.20 0.00 -0.34 6.45 9.92 0.29 -4.16 116.55 124.51 1iio n ASP 62 Ca 0.17 -0.82 0.03 0.00 -0.53 0.00 0.00 54.79 53.64 1iio n ASP 62 Cb 0.91 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.48 1iio n ASP 62 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1iio n PHE 63 N -0.83 0.20 -2.88 1.24 7.35 0.31 -2.66 117.46 120.19 1iio n PHE 63 Ca 0.10 1.13 -0.44 0.00 -0.76 0.00 0.00 57.45 57.48 1iio n PHE 63 Cb 0.04 -0.95 -0.00 0.00 0.35 0.00 0.00 39.48 38.92 1iio n PHE 63 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1iio s PRO 64 N -6.04 4.01 0.30 -7.13 0.04 -1.26 -2.04 135.00 122.89 1iio s PRO 64 Ca -0.13 -2.38 -0.28 0.00 0.04 0.00 0.00 61.00 58.25 1iio s PRO 64 Cb 0.22 -5.12 -0.09 0.00 0.04 0.00 0.00 34.50 29.55 1iio s PRO 64 CO 0.69 -1.85 1.02 -0.06 0.04 0.00 0.00 177.00 176.85 1iio s PHE 65 N 2.15 3.65 -0.65 0.56 0.40 -1.09 -4.90 117.98 118.10 1iio s PHE 65 Ca 0.43 1.76 -0.17 0.00 -0.60 0.00 0.00 56.93 58.36 1iio s PHE 65 Cb -0.02 -3.12 -0.14 0.00 0.51 0.00 0.00 43.02 40.25 1iio s PHE 65 CO -0.00 -0.17 1.86 1.63 0.70 0.00 0.00 175.22 179.24 1iio n LYS 66 N 0.94 1.34 -1.39 0.44 4.76 -1.26 -4.78 118.16 118.21 1iio n LYS 66 Ca 0.00 -1.52 0.17 0.00 -2.87 0.00 0.00 58.31 54.09 1iio n LYS 66 Cb 0.47 -2.67 -0.09 0.00 -1.84 0.00 0.00 35.03 30.90 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1iio n SER 67 N 6.60 -7.61 -0.18 4.39 7.64 -1.18 -2.57 113.62 120.71 1iio n SER 67 Ca 0.44 1.38 0.26 0.00 1.01 0.00 0.00 58.87 61.96 1iio n SER 67 Cb 0.30 -4.76 0.68 0.00 -1.01 0.00 0.00 64.21 59.41 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 -1.37 2.69 -0.31 -0.43 0.00 -1.82 -1.00 119.26 117.02 1iio h ALA 68 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1iio h ALA 68 Cb 1.33 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1iio h ALA 68 CO 0.07 -0.94 0.20 1.05 0.00 0.00 0.00 179.25 179.63 1iio h GLU 69 N 0.09 0.39 -0.18 0.00 4.11 -1.91 -1.68 114.58 115.40 1iio h GLU 69 Ca 0.42 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.74 1iio h GLU 69 Cb 1.55 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1iio h GLU 69 CO -0.04 0.26 -0.30 1.05 0.07 0.00 0.00 179.01 180.04 1iio h GLU 70 N 0.41 0.35 -0.33 1.06 -0.00 -0.91 -2.85 114.58 112.31 1iio h GLU 70 Ca 0.11 -0.14 0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1iio h GLU 70 Cb -0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.67 1iio h GLU 70 CO -0.03 0.62 0.19 0.28 -0.00 0.00 0.00 179.01 180.07 1iio h VAL 71 N 0.31 1.03 0.27 -1.06 2.07 -1.17 0.33 116.25 118.03 1iio h VAL 71 Ca 0.04 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1iio h VAL 71 Cb 0.69 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1iio h VAL 71 CO 0.05 0.07 -0.28 0.00 0.02 0.00 0.00 177.57 177.43 1iio h ALA 72 N 1.15 -0.58 -0.46 1.67 0.00 -1.10 0.15 119.26 120.08 1iio h ALA 72 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1iio h ALA 72 Cb 0.01 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1iio h ALA 72 CO -0.06 -0.86 0.04 -0.44 0.00 0.00 0.00 179.25 177.93 1iio h ASP 73 N -0.58 0.70 -0.04 0.00 5.19 -1.36 -2.76 116.42 117.56 1iio h ASP 73 Ca -0.01 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1iio h ASP 73 Cb 0.54 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 1iio h ASP 73 CO -0.06 0.74 0.00 0.74 -3.12 0.00 0.00 179.24 177.54 1iio h THR 74 N 0.70 1.24 -0.04 0.35 2.02 -0.00 -2.62 112.91 114.56 1iio h THR 74 Ca 0.15 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1iio h THR 74 Cb 0.37 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1iio h THR 74 CO 0.01 0.20 0.02 0.40 0.37 0.00 0.00 175.52 176.52 1iio h ILE 75 N -0.21 1.00 -0.99 3.11 2.04 -0.66 -1.68 117.51 120.12 1iio h ILE 75 Ca 0.01 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1iio h ILE 75 Cb 0.31 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1iio h ILE 75 CO 0.00 0.01 0.64 -0.37 0.00 0.00 0.00 178.15 178.43 1iio h VAL 76 N 0.04 1.10 0.41 1.67 -1.51 -1.54 0.92 116.25 117.33 1iio h VAL 76 Ca 0.01 -0.40 -0.02 0.00 -1.23 0.00 0.00 66.70 65.06 1iio h VAL 76 Cb -0.00 -0.18 0.00 0.00 -2.13 0.00 0.00 31.29 28.99 1iio h VAL 76 CO -0.01 0.21 -0.20 0.78 -1.23 0.00 0.00 177.57 177.13 1iio h ASN 77 N 1.17 -0.47 -0.11 4.19 -0.26 -1.14 0.60 115.58 119.56 1iio h ASN 77 Ca 0.42 -0.06 -0.23 0.00 -0.56 0.00 0.00 56.30 55.87 1iio h ASN 77 Cb 0.14 0.12 0.01 0.00 -1.06 0.00 0.00 38.32 37.53 1iio h ASN 77 CO -0.17 -0.22 -0.82 0.11 -1.06 0.00 0.00 177.43 175.27 1iio h LYS 78 N -0.70 0.76 0.00 0.81 1.57 -1.11 -3.27 116.57 114.63 1iio h LYS 78 Ca -0.06 -0.66 -0.07 0.00 -1.87 0.00 0.00 60.65 57.99 1iio h LYS 78 Cb 0.50 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1iio h LYS 78 CO 0.09 1.26 -0.35 0.00 -0.57 0.00 0.00 179.45 179.89 1iio h ALA 79 N 0.51 1.42 0.00 3.86 0.00 0.81 -3.47 119.26 122.39 1iio h ALA 79 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1iio h ALA 79 Cb 1.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1iio h ALA 79 CO 0.17 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1iio n GLY 80 N -0.53 2.24 0.00 0.00 0.00 -0.58 -5.04 105.19 101.28 1iio n GLY 80 Ca -0.02 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.78 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36