#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 -3.42 0.00 1.61 7.64 -1.26 -4.68 113.62 113.51 1iio n SER -2 Ca 0.00 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.29 1iio n SER -2 Cb 0.00 -5.07 0.00 0.00 -1.01 0.00 0.00 64.21 58.13 1iio n SER -2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1iio n HIS -1 N -4.39 -0.24 -0.97 1.43 -0.00 -1.26 -4.99 115.22 104.80 1iio n HIS -1 Ca -0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.40 1iio n HIS -1 Cb 0.63 0.05 -0.16 0.00 -0.00 0.00 0.00 29.99 30.51 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 -1.37 1.97 0.00 1.57 2.00 -1.26 -4.92 117.12 115.10 1iio n MET 1 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 57.70 56.71 1iio n MET 1 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.22 1iio n MET 1 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1iio n LYS 2 N 2.55 0.00 0.02 0.03 4.81 -1.26 -2.71 118.16 121.60 1iio n LYS 2 Ca 0.42 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.71 1iio n LYS 2 Cb 0.86 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.77 1iio n LYS 2 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1iio h MET 3 N 0.00 0.18 0.00 1.64 2.86 -2.03 -3.44 114.93 114.14 1iio h MET 3 Ca 0.00 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1iio h MET 3 Cb 0.00 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1iio h MET 3 CO 0.00 0.96 0.00 0.41 1.06 0.00 0.00 176.91 179.34 1iio n GLY 4 N 1.72 2.20 0.00 8.32 0.00 -1.10 -4.75 105.19 111.57 1iio n GLY 4 Ca -0.20 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.43 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 0.62 -0.26 1.61 3.14 -1.26 -3.51 118.33 118.66 1iio n VAL 5 Ca 0.00 0.15 0.03 0.00 -2.96 0.00 0.00 64.34 61.57 1iio n VAL 5 Cb 0.00 -0.91 0.12 0.00 -1.06 0.00 0.00 33.84 31.99 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 0.03 0.00 1.45 3.11 -1.94 0.84 116.57 120.07 1iio h LYS 6 Ca 0.00 -0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.65 1iio h LYS 6 Cb 0.15 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 1iio h LYS 6 CO 0.00 0.02 -0.88 1.49 -2.81 0.00 0.00 179.45 177.27 1iio h GLU 7 N 0.04 0.02 0.16 1.90 4.57 -1.98 -2.83 114.58 116.46 1iio h GLU 7 Ca 0.39 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1iio h GLU 7 Cb 0.64 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1iio h GLU 7 CO -0.74 0.88 -0.08 -0.44 -1.18 0.00 0.00 179.01 177.46 1iio h ASP 8 N 0.01 -0.18 0.10 1.04 5.19 0.09 0.27 116.42 122.93 1iio h ASP 8 Ca -0.01 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1iio h ASP 8 Cb 1.55 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.11 1iio h ASP 8 CO 0.12 0.15 -0.05 0.40 -3.12 0.00 0.00 179.24 176.74 1iio h ILE 9 N -0.54 0.97 -0.11 0.35 2.04 0.21 -0.16 117.51 120.28 1iio h ILE 9 Ca -0.02 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1iio h ILE 9 Cb 0.41 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1iio h ILE 9 CO 0.04 0.06 0.13 0.03 0.00 0.00 0.00 178.15 178.40 1iio h ARG 10 N -0.24 0.00 -0.84 2.37 -0.00 -1.53 0.74 114.38 114.88 1iio h ARG 10 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1iio h ARG 10 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.13 1iio h ARG 10 CO 0.02 0.00 0.53 0.78 0.00 0.00 0.00 179.97 181.30 1iio h GLY 11 N 0.00 1.20 1.54 0.04 0.00 0.14 0.27 103.07 106.26 1iio h GLY 11 Ca 0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1iio h GLY 11 CO -0.00 0.46 -0.36 1.46 0.00 0.00 0.00 176.54 178.10 1iio h GLN 12 N 1.15 0.52 -0.24 4.80 4.20 0.10 -2.79 115.11 122.86 1iio h GLN 12 Ca 0.31 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1iio h GLN 12 Cb -0.09 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1iio h GLN 12 CO -0.06 0.80 -0.25 0.82 -0.67 0.00 0.00 178.83 179.47 1iio h ILE 13 N 0.44 1.32 -0.09 2.54 2.04 -0.30 -0.93 117.51 122.53 1iio h ILE 13 Ca 0.05 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.52 1iio h ILE 13 Cb 0.83 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 1iio h ILE 13 CO 0.07 0.44 -0.18 0.40 0.00 0.00 0.00 178.15 178.88 1iio h ILE 14 N 0.29 0.55 -0.55 -0.67 1.08 -0.47 0.36 117.51 118.10 1iio h ILE 14 Ca 0.04 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.45 1iio h ILE 14 Cb 0.81 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1iio h ILE 14 CO 0.06 0.00 0.12 1.23 -0.69 0.00 0.00 178.15 178.87 1iio h GLY 15 N -0.24 0.91 2.00 5.37 0.00 -1.52 -1.59 103.07 108.00 1iio h GLY 15 Ca 0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1iio h GLY 15 CO -0.24 0.51 -0.11 0.00 0.00 0.00 0.00 176.54 176.70 1iio h ALA 16 N 1.31 1.32 0.00 3.60 0.00 -0.06 -2.39 119.26 123.03 1iio h ALA 16 Ca 0.18 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 1iio h ALA 16 Cb 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1iio h ALA 16 CO 0.00 0.14 -1.35 -0.07 0.00 0.00 0.00 179.25 177.97 1iio h LEU 17 N 0.00 0.00 -8.11 0.00 3.38 0.57 -3.22 115.31 107.94 1iio h LEU 17 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iio h LEU 17 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1iio h LEU 17 CO 0.01 0.94 0.02 0.00 0.09 0.00 0.00 178.44 179.50 1iio n ALA 18 N -2.45 0.20 0.00 1.53 0.00 -0.70 -2.38 120.51 116.72 1iio n ALA 18 Ca -0.09 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.23 1iio n ALA 18 Cb 0.98 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 17.13 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 6.18 0.51 0.92 0.00 0.00 -1.26 -5.03 105.19 106.50 1iio n GLY 19 Ca 0.41 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.05 -1.00 4.61 0.00 -1.00 -4.93 120.51 117.14 1iio n ALA 20 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1iio n ALA 20 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.21 0.00 -3.25 0.00 9.92 -1.26 -4.84 116.55 114.91 1iio n ASP 21 Ca 0.03 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.98 1iio n ASP 21 Cb 0.12 0.00 0.30 0.00 -0.64 0.00 0.00 41.12 40.90 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 -3.79 -0.60 1.24 1.16 -1.26 -4.62 117.46 109.60 1iio n PHE 22 Ca 0.00 -0.82 -0.28 0.00 -1.87 0.00 0.00 57.45 54.48 1iio n PHE 22 Cb 0.00 -1.35 -0.05 0.00 -1.61 0.00 0.00 39.48 36.47 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 -5.87 0.85 0.00 3.97 -0.04 -1.26 -3.59 135.00 129.05 1iio n PRO 23 Ca 0.14 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1iio n PRO 23 Cb 0.61 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 5.63 0.00 -0.46 0.52 2.08 -1.26 -2.49 119.36 123.37 1iio n ILE 24 Ca 0.35 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.43 1iio n ILE 24 Cb 0.25 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.09 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 -1.55 4.38 4.13 -1.24 -4.03 115.26 118.63 1iio n ASN 25 Ca 0.00 -2.30 0.05 0.00 1.68 0.00 0.00 54.58 54.00 1iio n ASN 25 Cb 0.00 -0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 37.50 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 6.26 -8.17 -0.33 6.41 3.41 -0.80 -2.02 113.62 118.37 1iio n SER 26 Ca 0.29 1.75 0.35 0.00 -0.26 0.00 0.00 58.87 61.00 1iio n SER 26 Cb 0.20 -5.07 0.74 0.00 -0.26 0.00 0.00 64.21 59.82 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 -0.26 0.02 0.30 4.33 0.11 -1.90 -0.11 132.00 134.48 1iio h PRO 27 Ca -0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1iio h PRO 27 Cb 1.06 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1iio h PRO 27 CO 0.02 0.02 -0.40 0.93 -0.21 0.00 0.00 178.00 178.35 1iio h GLU 28 N 0.03 -0.73 0.16 1.05 4.39 -1.98 0.81 114.58 118.31 1iio h GLU 28 Ca 0.57 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.32 1iio h GLU 28 Cb 2.25 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 31.06 1iio h GLU 28 CO -0.03 -0.49 -0.07 1.49 -1.16 0.00 0.00 179.01 178.75 1iio h GLU 29 N -0.76 -0.20 -0.72 2.33 4.57 -0.50 -1.88 114.58 117.42 1iio h GLU 29 Ca -0.01 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.33 1iio h GLU 29 Cb 0.71 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.24 1iio h GLU 29 CO -0.13 0.04 0.20 1.37 -1.18 0.00 0.00 179.01 179.32 1iio h LEU 30 N -1.01 0.09 -1.41 1.64 8.10 -1.16 1.48 115.31 123.04 1iio h LEU 30 Ca -0.02 0.13 -0.06 0.00 0.11 0.00 0.00 57.88 58.04 1iio h LEU 30 Cb 0.33 0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 1iio h LEU 30 CO 0.04 0.01 -0.30 -0.03 -4.11 0.00 0.00 178.44 174.05 1iio h MET 31 N 0.32 0.00 -0.01 0.17 4.05 -0.95 -1.68 114.93 116.83 1iio h MET 31 Ca 0.40 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.72 1iio h MET 31 Cb 0.65 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1iio h MET 31 CO -0.46 0.30 -0.45 0.00 0.23 0.00 0.00 176.91 176.52 1iio h ALA 32 N 1.70 1.24 -0.18 0.39 0.00 0.27 -3.12 119.26 119.57 1iio h ALA 32 Ca -0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 1iio h ALA 32 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1iio h ALA 32 CO 0.04 0.57 -0.70 0.00 0.00 0.00 0.00 179.25 179.16 1iio h ALA 33 N 1.54 0.42 -0.40 0.00 0.00 0.57 -3.46 119.26 117.93 1iio h ALA 33 Ca -0.00 -0.57 -0.32 0.00 0.00 0.00 0.00 54.91 54.01 1iio h ALA 33 Cb 0.80 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.57 1iio h ALA 33 CO 0.06 0.69 0.07 1.28 0.00 0.00 0.00 179.25 181.35 1iio n LEU 34 N -3.94 0.09 0.24 0.00 4.32 -1.06 -4.75 117.00 111.90 1iio n LEU 34 Ca -0.06 0.46 0.16 0.00 -0.02 0.00 0.00 56.01 56.56 1iio n LEU 34 Cb 0.70 -0.36 0.87 0.00 -1.62 0.00 0.00 43.42 43.01 1iio n LEU 34 CO 0.51 -0.68 1.14 1.55 -1.22 0.00 0.00 177.39 178.70 1iio h PRO 35 N 1.34 0.00 0.00 3.23 0.13 -1.91 -2.03 132.00 132.75 1iio h PRO 35 Ca -0.20 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.84 1iio h PRO 35 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1iio h PRO 35 CO 0.28 0.00 -0.45 -0.97 -0.23 0.00 0.00 178.00 176.63 1iio h ASN 36 N 0.00 0.00 0.00 1.44 -1.24 -1.95 -3.48 115.58 110.34 1iio h ASN 36 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1iio h ASN 36 Cb 0.30 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.35 1iio h ASN 36 CO -0.00 0.45 0.00 0.61 -1.29 0.00 0.00 177.43 177.20 1iio n GLY 37 N 0.21 1.89 2.06 1.57 0.00 -0.77 -4.78 105.19 105.37 1iio n GLY 37 Ca -0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 1.94 -2.39 1.61 -0.04 -1.26 -4.81 135.00 130.05 1iio n PRO 38 Ca 0.00 -1.33 -0.02 0.00 -0.04 0.00 0.00 63.50 62.11 1iio n PRO 38 Cb 0.00 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 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 1.57 -3.46 -4.77 3.54 8.00 -1.26 -4.94 116.55 115.24 1iio n ASP 39 Ca 0.37 1.07 -0.40 0.00 0.71 0.00 0.00 54.79 56.54 1iio n ASP 39 Cb 0.70 -4.33 -0.01 0.00 -0.02 0.00 0.00 41.12 37.46 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 -0.86 2.56 -0.30 -3.53 -1.32 -1.26 -5.00 115.64 105.92 1iio s THR 40 Ca -0.12 0.54 -0.08 0.00 -1.21 0.00 0.00 61.69 60.81 1iio s THR 40 Cb 0.01 -3.33 -0.00 0.00 -1.51 0.00 0.00 72.50 67.66 1iio s THR 40 CO 0.61 0.11 0.12 -0.89 -2.21 0.00 0.00 174.62 172.36 1iio s THR 41 N -1.19 4.35 -0.35 5.08 2.01 -1.26 -4.71 115.64 119.57 1iio s THR 41 Ca 0.53 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 1iio s THR 41 Cb -0.40 -3.21 0.14 0.00 0.01 0.00 0.00 72.50 69.04 1iio s THR 41 CO 0.53 0.10 2.36 0.00 -0.69 0.00 0.00 174.62 176.92 1iio s LYS 43 N -1.65 4.38 -0.26 0.00 -2.85 -1.26 -4.47 119.74 113.64 1iio s LYS 43 Ca 0.42 1.40 -0.10 0.00 -1.00 0.00 0.00 55.97 56.70 1iio s LYS 43 Cb 0.30 -3.57 -0.05 0.00 -2.06 0.00 0.00 37.83 32.45 1iio s LYS 43 CO -0.08 -0.40 0.15 -1.12 0.10 0.00 0.00 175.35 173.99 1iio s SER 44 N 1.16 5.86 1.79 0.03 0.01 -0.85 -4.93 113.70 116.77 1iio s SER 44 Ca 0.48 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1iio s SER 44 Cb -0.18 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1iio s SER 44 CO 0.15 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1iio n GLY 45 N 4.71 2.98 0.15 3.44 0.00 -1.26 -2.78 105.19 112.43 1iio n GLY 45 Ca -0.15 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1iio n GLY 45 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1iio h ASP 46 N 0.00 0.78 -3.93 1.61 2.03 -2.04 -3.46 116.42 111.41 1iio h ASP 46 Ca 0.00 -0.78 -0.52 0.00 -0.73 0.00 0.00 57.03 55.00 1iio h ASP 46 Cb 0.00 -0.25 0.07 0.00 -0.83 0.00 0.00 39.33 38.32 1iio h ASP 46 CO 0.00 1.59 0.59 -0.69 -1.03 0.00 0.00 179.24 179.71 1iio s VAL 47 N -2.79 2.75 -0.04 4.15 1.01 -1.12 -5.04 120.40 119.32 1iio s VAL 47 Ca -0.08 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 1iio s VAL 47 Cb 0.05 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1iio s VAL 47 CO 0.93 0.11 0.01 -1.83 0.00 0.00 0.00 175.10 174.32 1iio s GLU 48 N -2.15 0.33 0.00 2.72 4.04 -1.26 -2.00 118.70 120.38 1iio s GLU 48 Ca 0.55 0.14 0.01 0.00 0.04 0.00 0.00 54.97 55.72 1iio s GLU 48 Cb -0.37 -0.64 -0.01 0.00 0.02 0.00 0.00 34.13 33.13 1iio s GLU 48 CO 0.48 -0.22 -0.05 -0.51 -1.84 0.00 0.00 175.26 173.12 1iio s LEU 49 N 1.53 2.03 0.00 1.83 2.01 -1.26 -4.92 118.68 119.91 1iio s LEU 49 Ca -0.03 -0.13 0.00 0.00 0.01 0.00 0.00 54.13 53.99 1iio s LEU 49 Cb -0.13 -0.22 0.00 0.00 0.01 0.00 0.00 46.19 45.85 1iio s LEU 49 CO -0.03 0.03 0.00 2.29 1.01 0.00 0.00 176.35 179.65 1iio n LYS 50 N 2.81 0.00 -0.08 1.70 2.85 -1.26 -3.14 118.16 121.04 1iio n LYS 50 Ca -0.14 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.01 1iio n LYS 50 Cb 0.58 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.92 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 0.34 -0.21 0.58 0.00 -1.95 0.15 119.26 120.18 1iio h ALA 51 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1iio h ALA 51 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1iio h ALA 51 CO 0.00 0.04 -0.23 1.03 0.00 0.00 0.00 179.25 180.09 1iio h SER 52 N 0.23 0.56 0.20 0.00 0.87 -1.94 0.88 113.55 114.34 1iio h SER 52 Ca 0.08 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1iio h SER 52 Cb 0.36 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1iio h SER 52 CO 0.01 0.93 -0.09 -0.78 -0.53 0.00 0.00 176.83 176.37 1iio h ASP 53 N 0.20 -0.22 0.03 6.23 1.82 -1.93 -3.33 116.42 119.21 1iio h ASP 53 Ca 0.03 -0.25 -0.38 0.00 -0.39 0.00 0.00 57.03 56.04 1iio h ASP 53 Cb 0.78 0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.80 1iio h ASP 53 CO 0.06 0.15 -2.20 0.00 -1.61 0.00 0.00 179.24 175.63 1iio n ALA 54 N -2.41 1.15 -0.48 -0.78 0.00 0.50 -4.40 120.51 114.09 1iio n ALA 54 Ca -0.09 -0.89 0.42 0.00 0.00 0.00 0.00 53.44 52.88 1iio n ALA 54 Cb 0.24 -0.25 0.77 0.00 0.00 0.00 0.00 19.45 20.21 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 0.58 0.14 -0.49 0.00 0.00 0.12 0.16 103.07 103.58 1iio h GLY 55 Ca -0.54 -0.02 0.34 0.00 0.00 0.00 0.00 47.33 47.11 1iio h GLY 55 CO -0.15 -0.03 0.80 0.06 0.00 0.00 0.00 176.54 177.21 1iio h GLN 56 N 0.02 0.18 -0.07 4.80 3.07 -1.63 0.81 115.11 122.29 1iio h GLN 56 Ca 0.73 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 59.40 1iio h GLN 56 Cb 2.85 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 30.36 1iio h GLN 56 CO -0.05 0.12 -0.24 -0.39 0.09 0.00 0.00 178.83 178.36 1iio h VAL 57 N 0.19 1.21 -2.77 1.86 -1.51 -0.97 -3.43 116.25 110.83 1iio h VAL 57 Ca 0.65 -0.98 -0.54 0.00 -1.23 0.00 0.00 66.70 64.60 1iio h VAL 57 Cb 2.07 1.43 0.01 0.00 -2.13 0.00 0.00 31.29 32.67 1iio h VAL 57 CO -0.21 0.29 0.94 -0.76 -1.23 0.00 0.00 177.57 176.59 1iio s LEU 58 N -8.52 4.35 0.60 4.19 1.43 0.28 -4.99 118.68 116.02 1iio s LEU 58 Ca -0.04 2.37 -0.15 0.00 -1.03 0.00 0.00 54.13 55.28 1iio s LEU 58 Cb 0.15 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1iio s LEU 58 CO 0.73 -0.83 1.04 0.42 0.23 0.00 0.00 176.35 177.94 1iio s THR 59 N 2.47 4.01 0.28 5.49 -4.23 -1.26 -4.92 115.64 117.48 1iio s THR 59 Ca 0.70 0.89 0.01 0.00 -1.18 0.00 0.00 61.69 62.12 1iio s THR 59 Cb -0.37 -3.46 0.26 0.00 1.34 0.00 0.00 72.50 70.26 1iio s THR 59 CO 0.30 -0.63 1.75 0.00 -0.54 0.00 0.00 174.62 175.51 1iio h ALA 60 N 0.29 1.38 -0.14 3.99 0.00 -1.96 0.37 119.26 123.20 1iio h ALA 60 Ca -0.46 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1iio h ALA 60 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1iio h ALA 60 CO 0.58 -0.13 0.25 -0.44 0.00 0.00 0.00 179.25 179.51 1iio h ASP 61 N 0.61 0.00 0.00 0.00 5.19 -2.03 -0.86 116.42 119.33 1iio h ASP 61 Ca 0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.91 1iio h ASP 61 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1iio h ASP 61 CO -0.40 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.19 1iio n ASP 62 N -3.43 0.00 -0.36 6.45 8.00 0.13 -4.09 116.55 123.25 1iio n ASP 62 Ca 0.01 -0.52 -0.05 0.00 0.71 0.00 0.00 54.79 54.94 1iio n ASP 62 Cb 0.35 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.33 -0.64 1.24 -1.00 -1.32 -2.94 116.94 110.95 1iio h PHE 63 Ca 0.00 0.11 -0.69 0.00 2.81 0.00 0.00 57.97 60.20 1iio h PHE 63 Cb 0.00 0.71 -0.07 0.00 3.61 0.00 0.00 35.95 40.20 1iio h PHE 63 CO 0.00 -0.40 2.46 -0.35 -1.61 0.00 0.00 178.31 178.42 1iio n PRO 64 N -5.40 3.10 -2.62 1.51 -0.05 -1.26 -1.90 135.00 128.38 1iio n PRO 64 Ca 0.06 -3.09 -0.39 0.00 -0.05 0.00 0.00 63.50 60.03 1iio n PRO 64 Cb 0.35 -3.42 -0.05 0.00 -0.05 0.00 0.00 33.50 30.33 1iio n PRO 64 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 1iio s PHE 65 N 3.82 3.65 -0.61 0.54 0.08 -1.11 -4.91 117.98 119.45 1iio s PHE 65 Ca 0.51 1.77 -0.24 0.00 0.12 0.00 0.00 56.93 59.09 1iio s PHE 65 Cb 0.07 -3.10 -0.21 0.00 -0.57 0.00 0.00 43.02 39.21 1iio s PHE 65 CO 0.03 -0.14 1.85 1.63 -0.10 0.00 0.00 175.22 178.49 1iio n LYS 66 N 0.91 1.13 -1.41 0.44 5.02 -1.26 -4.77 118.16 118.22 1iio n LYS 66 Ca 0.00 -1.67 0.17 0.00 -2.02 0.00 0.00 58.31 54.80 1iio n LYS 66 Cb 0.47 -2.86 -0.09 0.00 -0.02 0.00 0.00 35.03 32.54 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 8.24 -7.56 0.00 4.39 7.64 -1.21 -2.67 113.62 122.45 1iio n SER 67 Ca 0.49 1.34 0.23 0.00 1.01 0.00 0.00 58.87 61.93 1iio n SER 67 Cb 0.41 -4.81 0.72 0.00 -1.01 0.00 0.00 64.21 59.52 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 -1.43 2.36 0.01 -0.43 0.00 -1.79 -1.61 119.26 116.37 1iio h ALA 68 Ca -0.18 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1iio h ALA 68 Cb 1.32 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1iio h ALA 68 CO 0.07 -0.84 -0.03 1.05 0.00 0.00 0.00 179.25 179.50 1iio h GLU 69 N 0.00 -0.06 -0.05 0.00 4.11 -1.90 -0.60 114.58 116.08 1iio h GLU 69 Ca 0.27 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.55 1iio h GLU 69 Cb 1.35 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1iio h GLU 69 CO -0.00 -0.04 -0.65 1.05 0.07 0.00 0.00 179.01 179.44 1iio h GLU 70 N -0.06 0.19 -0.81 1.06 4.11 -1.07 -2.88 114.58 115.12 1iio h GLU 70 Ca 0.01 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 1iio h GLU 70 Cb 0.07 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1iio h GLU 70 CO -0.03 0.77 0.42 0.28 0.07 0.00 0.00 179.01 180.52 1iio h VAL 71 N 0.14 1.25 0.17 -1.06 2.07 -1.24 0.33 116.25 117.90 1iio h VAL 71 Ca -0.01 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1iio h VAL 71 Cb 1.17 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1iio h VAL 71 CO 0.10 0.29 -0.08 0.00 0.02 0.00 0.00 177.57 177.89 1iio h ALA 72 N 1.22 -0.22 -0.54 1.67 0.00 -1.04 -2.28 119.26 118.07 1iio h ALA 72 Ca 0.28 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1iio h ALA 72 Cb 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1iio h ALA 72 CO -0.04 -0.50 0.08 -0.44 0.00 0.00 0.00 179.25 178.35 1iio h ASP 73 N -0.47 0.81 -0.83 0.00 5.19 -1.38 -2.66 116.42 117.07 1iio h ASP 73 Ca -0.02 -0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.26 1iio h ASP 73 Cb 0.37 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.61 1iio h ASP 73 CO 0.04 0.83 0.53 0.74 -3.12 0.00 0.00 179.24 178.25 1iio h THR 74 N 0.82 1.09 0.34 0.35 2.02 -0.27 -1.28 112.91 115.97 1iio h THR 74 Ca 0.17 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1iio h THR 74 Cb 0.37 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1iio h THR 74 CO 0.01 0.18 -0.16 0.40 0.37 0.00 0.00 175.52 176.32 1iio h ILE 75 N 1.00 0.68 -0.72 3.11 2.04 -1.07 -1.95 117.51 120.59 1iio h ILE 75 Ca 0.34 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 66.07 1iio h ILE 75 Cb 0.07 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1iio h ILE 75 CO -0.14 0.04 0.42 -0.37 0.00 0.00 0.00 178.15 178.10 1iio h VAL 76 N -0.56 0.99 0.33 1.67 -1.51 -1.24 0.96 116.25 116.89 1iio h VAL 76 Ca -0.05 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 1iio h VAL 76 Cb 0.42 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 1iio h VAL 76 CO 0.08 0.14 -0.16 0.78 -1.23 0.00 0.00 177.57 177.18 1iio h ASN 77 N 0.77 -0.38 -0.09 4.19 2.35 -1.17 0.97 115.58 122.22 1iio h ASN 77 Ca 0.32 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.82 1iio h ASN 77 Cb 0.18 0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.65 1iio h ASN 77 CO -0.18 -0.16 -0.64 0.11 -1.65 0.00 0.00 177.43 174.91 1iio h LYS 78 N -0.57 0.59 -0.00 0.81 1.57 -1.21 -3.28 116.57 114.48 1iio h LYS 78 Ca -0.05 -0.52 -0.08 0.00 -1.87 0.00 0.00 60.65 58.14 1iio h LYS 78 Cb 0.42 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1iio h LYS 78 CO 0.07 1.14 -0.38 0.00 -0.57 0.00 0.00 179.45 179.72 1iio h ALA 79 N 0.46 1.37 0.00 3.86 0.00 0.90 -3.47 119.26 122.38 1iio h ALA 79 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1iio h ALA 79 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1iio h ALA 79 CO 0.13 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1iio n GLY 80 N -0.45 1.40 0.00 0.00 0.00 -0.16 -5.03 105.19 100.95 1iio n GLY 80 Ca -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 45.95 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36