#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iio h SER -2 N 0.00 0.70 -3.25 1.61 0.02 -2.05 -3.42 113.55 107.14 1iio h SER -2 Ca 0.00 -0.02 -0.53 0.00 -0.84 0.00 0.00 61.79 60.40 1iio h SER -2 Cb 0.00 -0.17 0.06 0.00 0.14 0.00 0.00 62.40 62.42 1iio h SER -2 CO 0.00 0.51 0.80 -1.00 -1.14 0.00 0.00 176.83 176.00 1iio s HIS -1 N -6.13 3.01 0.35 3.45 0.09 -1.26 -4.62 115.29 110.18 1iio s HIS -1 Ca -0.13 0.92 0.00 0.00 -0.00 0.00 0.00 55.06 55.85 1iio s HIS -1 Cb 0.13 -3.86 0.00 0.00 -0.00 0.00 0.00 32.58 28.85 1iio s HIS -1 CO 0.76 -2.91 0.00 -1.33 -0.00 0.00 0.00 174.74 171.26 1iio n MET 1 N 2.68 -4.76 -1.32 1.40 0.00 -1.26 -4.75 117.12 109.11 1iio n MET 1 Ca 0.08 3.44 -0.30 0.00 0.00 0.00 0.00 57.70 60.92 1iio n MET 1 Cb 0.40 -3.78 0.04 0.00 0.00 0.00 0.00 33.22 29.88 1iio n MET 1 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1iio n LYS 2 N 0.42 2.41 -2.72 0.03 -0.00 -1.26 -4.82 118.16 112.22 1iio n LYS 2 Ca 0.00 -2.72 -0.15 0.00 -0.00 0.00 0.00 58.31 55.44 1iio n LYS 2 Cb 0.00 -2.08 -0.00 0.00 -0.00 0.00 0.00 35.03 32.95 1iio n LYS 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1iio n MET 3 N -0.28 -2.68 -2.83 -1.58 2.81 -1.26 -1.47 117.12 109.82 1iio n MET 3 Ca 0.50 0.52 -0.11 0.00 -1.81 0.00 0.00 57.70 56.81 1iio n MET 3 Cb 0.56 -5.15 -0.01 0.00 -0.71 0.00 0.00 33.22 27.91 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 -0.90 -0.49 0.00 3.03 0.00 -1.26 -4.77 105.19 100.81 1iio n GLY 4 Ca -0.10 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.07 0.16 -0.26 1.61 3.14 -0.54 -3.88 118.33 115.48 1iio n VAL 5 Ca -0.02 0.04 0.04 0.00 -2.96 0.00 0.00 64.34 61.44 1iio n VAL 5 Cb 0.53 -0.61 0.13 0.00 -1.06 0.00 0.00 33.84 32.83 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 0.05 0.00 1.45 3.64 -1.86 0.82 116.57 120.66 1iio h LYS 6 Ca 0.00 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1iio h LYS 6 Cb 0.24 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1iio h LYS 6 CO 0.00 0.03 -0.89 0.93 -2.27 0.00 0.00 179.45 177.25 1iio h GLU 7 N 0.05 0.01 0.16 1.90 4.39 -1.97 -2.54 114.58 116.56 1iio h GLU 7 Ca 0.40 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 1iio h GLU 7 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1iio h GLU 7 CO -0.73 0.89 -0.07 -0.44 -1.16 0.00 0.00 179.01 177.49 1iio h ASP 8 N 0.00 -0.18 -0.06 1.42 3.32 0.17 0.24 116.42 121.34 1iio h ASP 8 Ca -0.01 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1iio h ASP 8 Cb 1.57 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.16 1iio h ASP 8 CO 0.12 0.11 -0.06 0.40 -1.72 0.00 0.00 179.24 178.08 1iio h ILE 9 N -0.47 1.37 -0.33 0.35 2.04 -0.07 -2.45 117.51 117.94 1iio h ILE 9 Ca -0.02 -1.21 0.10 0.00 1.00 0.00 0.00 64.86 64.72 1iio h ILE 9 Cb 0.37 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1iio h ILE 9 CO 0.04 0.33 0.26 -0.09 0.00 0.00 0.00 178.15 178.69 1iio h ARG 10 N -0.29 0.00 -0.36 2.37 2.43 -1.51 0.31 114.38 117.34 1iio h ARG 10 Ca 0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1iio h ARG 10 Cb 0.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1iio h ARG 10 CO 0.01 0.00 0.01 0.78 -1.51 0.00 0.00 179.97 179.26 1iio h GLY 11 N 0.00 0.67 1.80 2.80 0.00 -0.12 0.15 103.07 108.38 1iio h GLY 11 Ca 0.16 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1iio h GLY 11 CO -0.00 0.45 -0.25 1.46 0.00 0.00 0.00 176.54 178.19 1iio h GLN 12 N 0.44 0.23 -0.06 4.80 4.20 -0.08 -2.80 115.11 121.84 1iio h GLN 12 Ca 0.10 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1iio h GLN 12 Cb 0.44 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1iio h GLN 12 CO 0.02 0.48 -0.08 0.82 -0.67 0.00 0.00 178.83 179.39 1iio h ILE 13 N 0.21 1.40 -0.01 2.54 2.04 -0.22 0.31 117.51 123.78 1iio h ILE 13 Ca 0.03 -1.32 0.03 0.00 1.00 0.00 0.00 64.86 64.61 1iio h ILE 13 Cb 0.57 2.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 1iio h ILE 13 CO 0.04 0.36 -0.26 0.40 0.00 0.00 0.00 178.15 178.69 1iio h ILE 14 N -0.31 0.40 -0.44 -0.67 1.08 -0.60 0.26 117.51 117.23 1iio h ILE 14 Ca 0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1iio h ILE 14 Cb 0.63 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1iio h ILE 14 CO 0.02 0.00 0.01 1.23 -0.69 0.00 0.00 178.15 178.72 1iio h GLY 15 N -0.40 0.76 2.00 5.37 0.00 -1.57 -1.73 103.07 107.50 1iio h GLY 15 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1iio h GLY 15 CO -0.23 0.45 -0.04 0.00 0.00 0.00 0.00 176.54 176.72 1iio h ALA 16 N 1.34 1.14 0.00 3.60 0.00 0.16 -2.54 119.26 122.96 1iio h ALA 16 Ca 0.14 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 1iio h ALA 16 Cb 0.40 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1iio h ALA 16 CO 0.01 0.05 -1.70 1.28 0.00 0.00 0.00 179.25 178.89 1iio n LEU 17 N -3.34 0.85 -4.53 0.00 4.77 0.80 -3.62 117.00 111.93 1iio n LEU 17 Ca -0.02 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.23 1iio n LEU 17 Cb 0.18 0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1iio n LEU 17 CO 0.26 0.37 1.14 0.00 -1.33 0.00 0.00 177.39 177.82 1iio n ALA 18 N -2.55 0.28 0.00 -1.18 0.00 -0.89 -2.47 120.51 113.70 1iio n ALA 18 Ca -0.17 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1iio n ALA 18 Cb 1.04 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 6.22 0.99 2.35 0.00 0.00 -1.26 -5.04 105.19 108.44 1iio n GLY 19 Ca 0.41 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.37 -1.00 4.61 0.00 -1.03 -4.91 120.51 115.80 1iio n ALA 20 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1iio n ALA 20 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.98 0.00 -3.78 0.00 9.92 -1.26 -4.80 116.55 114.64 1iio n ASP 21 Ca 0.06 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.03 1iio n ASP 21 Cb 0.27 0.00 0.27 0.00 -0.64 0.00 0.00 41.12 41.02 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 -2.68 -0.52 1.24 1.16 -1.26 -4.60 117.46 110.81 1iio n PHE 22 Ca 0.00 -0.47 -0.28 0.00 -1.87 0.00 0.00 57.45 54.83 1iio n PHE 22 Cb 0.00 -1.48 -0.06 0.00 -1.61 0.00 0.00 39.48 36.33 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 -5.02 0.63 0.00 3.97 -0.04 -1.26 -3.48 135.00 129.80 1iio n PRO 23 Ca 0.08 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1iio n PRO 23 Cb 0.56 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 5.76 0.00 -0.57 0.52 2.08 -1.26 -2.30 119.36 123.58 1iio n ILE 24 Ca 0.33 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.39 1iio n ILE 24 Cb 0.24 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.10 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 2.26 -1.53 4.38 4.13 -1.23 -4.11 115.26 119.16 1iio n ASN 25 Ca 0.00 -2.34 0.01 0.00 1.68 0.00 0.00 54.58 53.93 1iio n ASN 25 Cb 0.00 -0.82 -0.00 0.00 -1.54 0.00 0.00 39.78 37.42 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 6.04 -7.58 -0.31 6.41 3.41 -1.15 -1.87 113.62 118.58 1iio n SER 26 Ca 0.33 1.67 0.35 0.00 -0.26 0.00 0.00 58.87 60.96 1iio n SER 26 Cb 0.21 -4.78 0.71 0.00 -0.26 0.00 0.00 64.21 60.09 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 0.07 0.00 0.38 4.33 0.11 -1.90 0.20 132.00 135.19 1iio h PRO 27 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1iio h PRO 27 Cb 0.89 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1iio h PRO 27 CO 0.00 0.00 -0.39 0.93 -0.21 0.00 0.00 178.00 178.34 1iio h GLU 28 N 0.00 -0.77 0.10 1.05 5.08 -1.98 -0.64 114.58 117.42 1iio h GLU 28 Ca 0.56 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1iio h GLU 28 Cb 2.46 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.88 1iio h GLU 28 CO -0.01 -0.51 -0.05 1.49 -1.00 0.00 0.00 179.01 178.94 1iio h GLU 29 N -0.79 -0.13 -1.00 2.33 4.57 0.03 -1.77 114.58 117.82 1iio h GLU 29 Ca -0.03 0.01 0.26 0.00 -1.18 0.00 0.00 59.36 58.41 1iio h GLU 29 Cb 0.71 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.26 1iio h GLU 29 CO -0.07 0.14 0.67 1.37 -1.18 0.00 0.00 179.01 179.95 1iio h LEU 30 N -1.00 0.32 -0.21 1.64 8.10 -0.99 2.16 115.31 125.33 1iio h LEU 30 Ca -0.01 0.05 -0.19 0.00 0.11 0.00 0.00 57.88 57.84 1iio h LEU 30 Cb 0.33 -0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.52 1iio h LEU 30 CO 0.02 0.09 -0.88 0.24 -4.11 0.00 0.00 178.44 173.80 1iio h MET 31 N 0.30 0.00 0.00 0.17 2.86 -1.21 -2.40 114.93 114.65 1iio h MET 31 Ca 0.53 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.16 1iio h MET 31 Cb 1.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.18 1iio h MET 31 CO -0.19 0.88 -0.07 0.00 1.06 0.00 0.00 176.91 178.59 1iio h ALA 32 N 1.12 1.70 0.14 6.32 0.00 0.43 -2.11 119.26 126.86 1iio h ALA 32 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 1iio h ALA 32 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1iio h ALA 32 CO 0.11 0.09 -1.40 0.00 0.00 0.00 0.00 179.25 178.05 1iio h ALA 33 N 1.93 0.14 -0.66 0.00 0.00 -0.36 -3.46 119.26 116.84 1iio h ALA 33 Ca -0.00 -0.98 -0.52 0.00 0.00 0.00 0.00 54.91 53.40 1iio h ALA 33 Cb 0.15 0.15 0.04 0.00 0.00 0.00 0.00 17.79 18.12 1iio h ALA 33 CO 0.01 1.01 0.02 1.28 0.00 0.00 0.00 179.25 181.57 1iio n LEU 34 N -3.52 -0.05 -0.22 0.00 4.32 -0.79 -4.76 117.00 111.98 1iio n LEU 34 Ca -0.13 0.77 0.23 0.00 -0.02 0.00 0.00 56.01 56.86 1iio n LEU 34 Cb 1.04 -0.61 0.60 0.00 -1.62 0.00 0.00 43.42 42.83 1iio n LEU 34 CO 0.53 -1.30 1.24 -0.65 -1.22 0.00 0.00 177.39 175.98 1iio h PRO 35 N 1.93 0.23 0.00 3.23 0.11 -1.89 -1.01 132.00 134.60 1iio h PRO 35 Ca -0.33 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 1iio h PRO 35 Cb 0.95 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1iio h PRO 35 CO 0.43 0.16 -0.45 -0.97 -0.21 0.00 0.00 178.00 176.95 1iio h ASN 36 N 0.24 0.00 0.00 -2.05 -1.24 -1.94 -3.48 115.58 107.11 1iio h ASN 36 Ca 0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.47 1iio h ASN 36 Cb 1.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.45 1iio h ASN 36 CO -0.12 0.45 0.00 0.61 -1.29 0.00 0.00 177.43 177.08 1iio n GLY 37 N 0.22 1.91 1.84 1.57 0.00 -0.38 -4.78 105.19 105.57 1iio n GLY 37 Ca -0.01 -0.62 -0.10 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 1.61 -2.13 1.61 -0.04 -1.26 -4.68 135.00 130.11 1iio n PRO 38 Ca 0.00 -0.90 -0.03 0.00 -0.04 0.00 0.00 63.50 62.53 1iio n PRO 38 Cb 0.00 -1.54 -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 1.43 -1.88 -4.75 3.54 9.92 -1.26 -4.95 116.55 118.60 1iio n ASP 39 Ca 0.24 0.77 -0.41 0.00 -0.53 0.00 0.00 54.79 54.86 1iio n ASP 39 Cb 0.63 -3.42 -0.03 0.00 -0.64 0.00 0.00 41.12 37.66 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1iio s THR 40 N -0.49 3.07 -0.66 -3.53 -1.32 -1.26 -4.99 115.64 106.46 1iio s THR 40 Ca -0.13 0.99 -0.14 0.00 -1.21 0.00 0.00 61.69 61.19 1iio s THR 40 Cb 0.01 -3.63 0.17 0.00 -1.51 0.00 0.00 72.50 67.54 1iio s THR 40 CO 0.45 0.20 0.60 -0.89 -2.21 0.00 0.00 174.62 172.77 1iio s THR 41 N -0.64 5.25 -0.73 5.08 2.01 -1.26 -4.81 115.64 120.53 1iio s THR 41 Ca 0.51 -1.99 -0.06 0.00 0.31 0.00 0.00 61.69 60.46 1iio s THR 41 Cb -0.37 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 67.74 1iio s THR 41 CO 0.45 -0.93 2.28 0.00 -0.69 0.00 0.00 174.62 175.72 1iio s LYS 43 N 2.84 3.83 -0.24 0.00 -2.85 -1.26 -4.18 119.74 117.88 1iio s LYS 43 Ca 0.43 1.32 -0.14 0.00 -1.00 0.00 0.00 55.97 56.58 1iio s LYS 43 Cb 0.14 -2.10 0.07 0.00 -2.06 0.00 0.00 37.83 33.88 1iio s LYS 43 CO -0.03 -0.40 0.59 -1.12 0.10 0.00 0.00 175.35 174.50 1iio s SER 44 N -2.07 -0.80 -1.24 0.03 0.01 0.21 -4.95 113.70 104.89 1iio s SER 44 Ca 0.66 1.30 -0.00 0.00 1.31 0.00 0.00 55.95 59.22 1iio s SER 44 Cb -0.15 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.25 1iio s SER 44 CO 0.20 -0.22 0.93 0.61 0.41 0.00 0.00 173.24 175.17 1iio n GLY 45 N 4.29 -0.35 4.25 3.44 0.00 -1.26 -2.39 105.19 113.17 1iio n GLY 45 Ca -0.21 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.11 0.00 -4.76 1.61 9.92 -1.26 -4.96 116.55 113.99 1iio n ASP 46 Ca -0.28 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.57 1iio n ASP 46 Cb 0.67 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.13 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 0.00 2.70 -0.05 2.53 1.01 -1.01 -5.03 120.40 120.56 1iio s VAL 47 Ca 0.00 0.68 0.03 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 -0.15 -1.61 0.00 0.00 0.00 175.10 173.49 1iio s GLU 48 N -1.52 1.75 -0.01 2.72 2.02 -1.26 0.65 118.70 123.05 1iio s GLU 48 Ca 0.51 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 55.00 1iio s GLU 48 Cb -0.40 -1.48 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 1iio s GLU 48 CO 0.51 0.15 -0.09 -0.51 0.02 0.00 0.00 175.26 175.34 1iio s LEU 49 N 0.30 2.01 0.00 1.80 2.01 -1.26 -4.86 118.68 118.68 1iio s LEU 49 Ca -0.09 -0.15 0.00 0.00 0.01 0.00 0.00 54.13 53.90 1iio s LEU 49 Cb -0.13 -0.44 0.00 0.00 0.01 0.00 0.00 46.19 45.63 1iio s LEU 49 CO 0.03 0.10 0.00 2.29 1.01 0.00 0.00 176.35 179.78 1iio n LYS 50 N 2.89 0.00 0.02 1.70 2.85 -1.26 -2.92 118.16 121.43 1iio n LYS 50 Ca -0.13 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 56.94 1iio n LYS 50 Cb 0.57 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.82 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 2.00 0.00 0.62 0.58 0.00 -1.92 0.31 119.26 120.86 1iio h ALA 51 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1iio h ALA 51 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1iio h ALA 51 CO 0.00 0.34 -0.31 1.03 0.00 0.00 0.00 179.25 180.30 1iio h SER 52 N -0.25 -0.76 0.16 0.00 0.87 -1.96 0.89 113.55 112.49 1iio h SER 52 Ca -0.10 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1iio h SER 52 Cb 1.42 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1iio h SER 52 CO 0.13 -0.52 -0.08 0.44 -0.53 0.00 0.00 176.83 176.27 1iio h ASP 53 N -0.86 -0.18 0.08 6.23 3.32 -1.95 -3.35 116.42 119.71 1iio h ASP 53 Ca -0.08 -0.36 -0.34 0.00 0.02 0.00 0.00 57.03 56.28 1iio h ASP 53 Cb 0.67 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1iio h ASP 53 CO 0.13 0.37 -1.87 0.00 -1.72 0.00 0.00 179.24 176.15 1iio n ALA 54 N -2.56 0.92 -0.10 3.45 0.00 -0.45 -4.22 120.51 117.55 1iio n ALA 54 Ca -0.08 -0.63 0.26 0.00 0.00 0.00 0.00 53.44 52.99 1iio n ALA 54 Cb 0.26 -0.56 0.59 0.00 0.00 0.00 0.00 19.45 19.74 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 0.50 0.00 -0.61 0.00 0.00 0.45 -0.55 103.07 102.87 1iio h GLY 55 Ca -0.43 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.24 1iio h GLY 55 CO -0.03 0.00 0.55 0.06 0.00 0.00 0.00 176.54 177.12 1iio h GLN 56 N 0.00 0.26 -0.17 4.80 3.07 -1.44 1.27 115.11 122.90 1iio h GLN 56 Ca 0.38 -0.02 -0.07 0.00 0.09 0.00 0.00 58.65 59.04 1iio h GLN 56 Cb 2.17 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 29.66 1iio h GLN 56 CO -0.00 0.17 -0.20 -0.39 0.09 0.00 0.00 178.83 178.50 1iio h VAL 57 N 0.26 1.22 -0.02 1.86 -1.51 -1.40 -3.35 116.25 113.32 1iio h VAL 57 Ca 0.75 -1.01 -0.65 0.00 -1.23 0.00 0.00 66.70 64.56 1iio h VAL 57 Cb 1.76 1.31 0.04 0.00 -2.13 0.00 0.00 31.29 32.27 1iio h VAL 57 CO -0.64 0.31 2.33 0.18 -1.23 0.00 0.00 177.57 178.53 1iio n LEU 58 N -4.20 4.30 -4.32 4.19 4.77 0.44 -4.94 117.00 117.24 1iio n LEU 58 Ca -0.01 -3.01 -0.35 0.00 -0.03 0.00 0.00 56.01 52.61 1iio n LEU 58 Cb 0.33 -1.18 0.07 0.00 -2.33 0.00 0.00 43.42 40.31 1iio n LEU 58 CO 0.39 -0.28 -0.37 0.35 -1.33 0.00 0.00 177.39 176.15 1iio n THR 59 N 5.98 0.63 -0.33 -5.08 -2.24 -1.26 -4.64 114.28 107.36 1iio n THR 59 Ca 0.50 -0.37 0.24 0.00 -2.27 0.00 0.00 64.05 62.15 1iio n THR 59 Cb 0.41 -0.46 0.48 0.00 -2.10 0.00 0.00 70.33 68.65 1iio n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iio h ALA 60 N -0.86 1.91 -0.72 6.98 0.00 -1.93 0.77 119.26 125.42 1iio h ALA 60 Ca -0.44 0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.89 1iio h ALA 60 Cb 1.33 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1iio h ALA 60 CO 0.35 -0.65 0.61 0.22 0.00 0.00 0.00 179.25 179.79 1iio h ASP 61 N 0.23 0.00 0.00 0.00 1.82 -1.99 0.40 116.42 116.88 1iio h ASP 61 Ca 0.74 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.38 1iio h ASP 61 Cb 1.73 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.74 1iio h ASP 61 CO -0.66 0.00 0.00 0.47 -1.61 0.00 0.00 179.24 177.44 1iio n ASP 62 N -3.96 0.00 -0.12 2.28 8.00 0.27 -4.28 116.55 118.73 1iio n ASP 62 Ca 0.14 -0.90 -0.04 0.00 0.71 0.00 0.00 54.79 54.71 1iio n ASP 62 Cb 0.87 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 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 -0.60 -0.35 1.24 -1.00 -0.34 -2.92 116.94 112.97 1iio h PHE 63 Ca 0.00 0.04 -0.53 0.00 2.81 0.00 0.00 57.97 60.29 1iio h PHE 63 Cb 0.00 0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1iio h PHE 63 CO 0.00 -0.12 1.87 -0.35 -1.61 0.00 0.00 178.31 178.09 1iio n PRO 64 N -3.70 2.00 -2.62 1.51 -0.04 -1.26 -2.92 135.00 127.97 1iio n PRO 64 Ca 0.00 -2.45 -0.39 0.00 -0.04 0.00 0.00 63.50 60.63 1iio n PRO 64 Cb 0.09 -3.40 -0.05 0.00 -0.04 0.00 0.00 33.50 30.10 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 7.17 3.62 -0.65 0.54 0.08 -1.10 -4.91 117.98 122.73 1iio s PHE 65 Ca 0.60 1.75 -0.24 0.00 0.12 0.00 0.00 56.93 59.16 1iio s PHE 65 Cb 0.06 -3.10 -0.20 0.00 -0.57 0.00 0.00 43.02 39.21 1iio s PHE 65 CO 0.10 -0.18 1.86 1.17 -0.10 0.00 0.00 175.22 178.07 1iio n LYS 66 N 0.82 1.13 -1.45 0.44 4.81 -1.26 -4.77 118.16 117.88 1iio n LYS 66 Ca 0.01 -1.72 0.18 0.00 -0.87 0.00 0.00 58.31 55.90 1iio n LYS 66 Cb 0.48 -2.95 -0.09 0.00 0.02 0.00 0.00 35.03 32.48 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1iio n SER 67 N 9.02 -7.91 -0.15 3.14 7.64 -1.22 -2.52 113.62 121.62 1iio n SER 67 Ca 0.48 1.41 0.26 0.00 1.01 0.00 0.00 58.87 62.03 1iio n SER 67 Cb 0.42 -4.97 0.70 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 2.74 -0.30 -0.43 0.00 -1.76 -1.31 119.26 116.75 1iio h ALA 68 Ca -0.19 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1iio h ALA 68 Cb 1.38 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1iio h ALA 68 CO 0.07 -0.98 0.14 1.05 0.00 0.00 0.00 179.25 179.54 1iio h GLU 69 N 0.03 0.29 -0.02 0.00 4.11 -1.90 0.50 114.58 117.60 1iio h GLU 69 Ca 0.40 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 59.65 1iio h GLU 69 Cb 1.55 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1iio h GLU 69 CO -0.02 0.19 -0.75 1.05 0.07 0.00 0.00 179.01 179.55 1iio h GLU 70 N 0.30 0.13 0.11 1.06 4.11 -0.95 -2.68 114.58 116.66 1iio h GLU 70 Ca 0.13 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 1iio h GLU 70 Cb 0.06 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1iio h GLU 70 CO -0.10 0.81 -0.06 0.28 0.07 0.00 0.00 179.01 180.02 1iio h VAL 71 N 0.08 1.05 -0.84 -1.06 2.07 -1.18 0.27 116.25 116.65 1iio h VAL 71 Ca -0.02 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 66.88 1iio h VAL 71 Cb 1.31 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 1iio h VAL 71 CO 0.11 0.17 0.49 0.00 0.02 0.00 0.00 177.57 178.36 1iio h ALA 72 N 0.35 1.19 -0.26 1.67 0.00 -0.96 0.14 119.26 121.39 1iio h ALA 72 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1iio h ALA 72 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1iio h ALA 72 CO 0.03 0.14 0.06 0.22 0.00 0.00 0.00 179.25 179.70 1iio h ASP 73 N 0.84 0.39 -0.29 0.00 3.58 -1.35 -2.78 116.42 116.81 1iio h ASP 73 Ca 0.40 -0.23 0.02 0.00 0.42 0.00 0.00 57.03 57.64 1iio h ASP 73 Cb 0.32 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1iio h ASP 73 CO -0.23 0.51 0.15 0.74 -2.88 0.00 0.00 179.24 177.54 1iio h THR 74 N 0.24 1.00 -0.17 2.25 2.02 0.65 -1.44 112.91 117.46 1iio h THR 74 Ca 0.08 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1iio h THR 74 Cb 0.28 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1iio h THR 74 CO 0.00 0.06 -0.00 0.40 0.37 0.00 0.00 175.52 176.34 1iio h ILE 75 N 0.32 0.88 -0.76 3.11 2.04 -0.73 -1.31 117.51 121.06 1iio h ILE 75 Ca 0.12 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1iio h ILE 75 Cb 0.03 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1iio h ILE 75 CO -0.08 0.01 0.29 -0.37 0.00 0.00 0.00 178.15 178.00 1iio h VAL 76 N 0.05 1.26 0.47 1.67 -1.51 -1.33 0.18 116.25 117.03 1iio h VAL 76 Ca 0.08 -0.83 -0.02 0.00 -1.23 0.00 0.00 66.70 64.70 1iio h VAL 76 Cb 0.10 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 29.64 1iio h VAL 76 CO -0.14 0.34 -0.22 0.78 -1.23 0.00 0.00 177.57 177.09 1iio h ASN 77 N 1.11 -0.53 -0.32 4.19 2.35 -0.89 1.01 115.58 122.50 1iio h ASN 77 Ca 0.25 -0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.76 1iio h ASN 77 Cb 0.23 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1iio h ASN 77 CO -0.02 -0.22 -0.45 0.11 -1.65 0.00 0.00 177.43 175.21 1iio h LYS 78 N -0.86 0.87 0.00 0.81 1.57 -1.27 -3.19 116.57 114.50 1iio h LYS 78 Ca -0.06 -0.51 -0.07 0.00 -1.87 0.00 0.00 60.65 58.13 1iio h LYS 78 Cb 0.57 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1iio h LYS 78 CO 0.11 1.15 -0.35 0.00 -0.57 0.00 0.00 179.45 179.78 1iio h ALA 79 N 0.71 1.41 0.00 3.86 0.00 -0.72 -3.47 119.26 121.05 1iio h ALA 79 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1iio h ALA 79 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1iio h ALA 79 CO 0.10 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1iio n GLY 80 N -0.51 0.95 0.00 0.00 0.00 -0.64 -5.05 105.19 99.94 1iio n GLY 80 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36