#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 -0.12 -4.78 1.61 3.41 -1.26 -4.52 113.62 107.96 1iio n SER -2 Ca 0.00 -0.86 -0.39 0.00 -0.26 0.00 0.00 58.87 57.35 1iio n SER -2 Cb 0.00 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 1iio n SER -2 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1iio s HIS -1 N 0.01 3.81 -0.82 7.33 3.76 -1.26 -4.29 115.29 123.82 1iio s HIS -1 Ca 0.01 1.42 -0.04 0.00 -0.15 0.00 0.00 55.06 56.30 1iio s HIS -1 Cb 0.03 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.02 1iio s HIS -1 CO -0.01 0.47 0.72 -0.12 -0.85 0.00 0.00 174.74 174.95 1iio n MET 1 N 2.01 -2.37 -3.64 1.40 0.00 -1.26 -5.04 117.12 108.22 1iio n MET 1 Ca -0.07 0.66 -0.04 0.00 -0.00 0.00 0.00 57.70 58.25 1iio n MET 1 Cb 0.50 -4.87 -0.06 0.00 0.00 0.00 0.00 33.22 28.79 1iio n MET 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1iio s LYS 2 N -4.25 0.17 -0.24 2.12 -2.85 -1.26 -5.17 119.74 108.25 1iio s LYS 2 Ca 0.28 0.15 -0.16 0.00 -1.00 0.00 0.00 55.97 55.24 1iio s LYS 2 Cb -0.04 0.08 0.07 0.00 -2.06 0.00 0.00 37.83 35.88 1iio s LYS 2 CO 0.56 -0.03 0.61 1.41 0.10 0.00 0.00 175.35 178.01 1iio s MET 3 N -0.20 0.65 0.00 1.78 1.75 -1.26 -5.07 119.30 116.96 1iio s MET 3 Ca 0.06 1.03 0.00 0.00 -1.25 0.00 0.00 55.69 55.53 1iio s MET 3 Cb -0.04 0.17 0.00 0.00 2.84 0.00 0.00 34.83 37.80 1iio s MET 3 CO -0.12 -0.13 0.00 0.41 -0.65 0.00 0.00 175.02 174.53 1iio n GLY 4 N 3.82 -0.66 0.00 2.11 0.00 -1.26 -4.94 105.19 104.25 1iio n GLY 4 Ca -0.19 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 0.63 -0.28 1.61 3.14 -1.26 -3.44 118.33 118.73 1iio n VAL 5 Ca 0.00 0.16 0.09 0.00 -2.96 0.00 0.00 64.34 61.63 1iio n VAL 5 Cb 0.00 -0.91 0.22 0.00 -1.06 0.00 0.00 33.84 32.09 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 0.02 1.45 3.11 -1.92 1.00 116.57 120.36 1iio h LYS 6 Ca 0.00 -0.01 -0.20 0.00 -2.81 0.00 0.00 60.65 57.63 1iio h LYS 6 Cb 0.16 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 1iio h LYS 6 CO 0.00 0.08 -0.95 0.93 -2.81 0.00 0.00 179.45 176.71 1iio h GLU 7 N 0.13 0.10 0.17 1.90 3.07 -1.94 -2.44 114.58 115.58 1iio h GLU 7 Ca 0.48 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 1iio h GLU 7 Cb 0.91 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1iio h GLU 7 CO -0.70 0.97 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.36 1iio h ASP 8 N 0.05 -0.20 -0.19 1.42 3.32 0.55 0.27 116.42 121.65 1iio h ASP 8 Ca -0.04 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 1iio h ASP 8 Cb 1.63 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.22 1iio h ASP 8 CO 0.14 0.11 -0.09 0.40 -1.72 0.00 0.00 179.24 178.07 1iio h ILE 9 N -0.51 1.31 -0.31 0.35 2.04 0.03 -2.24 117.51 118.18 1iio h ILE 9 Ca -0.02 -1.14 0.09 0.00 1.00 0.00 0.00 64.86 64.78 1iio h ILE 9 Cb 0.39 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1iio h ILE 9 CO 0.04 0.34 0.22 -0.09 0.00 0.00 0.00 178.15 178.67 1iio h ARG 10 N 0.08 0.00 -0.45 2.37 1.12 -1.46 0.28 114.38 116.31 1iio h ARG 10 Ca 0.04 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.87 1iio h ARG 10 Cb 0.57 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.51 1iio h ARG 10 CO 0.03 0.00 0.11 0.78 -3.11 0.00 0.00 179.97 177.78 1iio h GLY 11 N 0.00 0.78 1.98 2.80 0.00 0.12 0.09 103.07 108.84 1iio h GLY 11 Ca 0.15 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1iio h GLY 11 CO -0.00 0.46 -0.19 1.46 0.00 0.00 0.00 176.54 178.27 1iio h GLN 12 N 0.61 0.03 -0.26 4.80 4.20 -0.09 -2.51 115.11 121.88 1iio h GLN 12 Ca 0.14 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 1iio h GLN 12 Cb 0.32 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1iio h GLN 12 CO 0.00 0.22 -0.35 0.82 -0.67 0.00 0.00 178.83 178.85 1iio h ILE 13 N 0.03 1.31 0.10 2.54 2.04 0.01 0.18 117.51 123.71 1iio h ILE 13 Ca 0.00 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.34 1iio h ILE 13 Cb 0.35 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1iio h ILE 13 CO 0.02 0.49 -0.16 0.40 0.00 0.00 0.00 178.15 178.90 1iio h ILE 14 N 0.41 0.62 -0.37 -0.67 1.08 -0.59 0.21 117.51 118.21 1iio h ILE 14 Ca 0.03 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.37 1iio h ILE 14 Cb 0.93 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1iio h ILE 14 CO 0.08 0.00 -0.28 1.23 -0.69 0.00 0.00 178.15 178.49 1iio h GLY 15 N -0.32 0.84 2.00 5.37 0.00 -1.53 -2.06 103.07 107.36 1iio h GLY 15 Ca 0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1iio h GLY 15 CO -0.09 0.69 -0.04 0.00 0.00 0.00 0.00 176.54 177.10 1iio h ALA 16 N 1.03 1.72 0.00 3.60 0.00 -0.19 -1.76 119.26 123.66 1iio h ALA 16 Ca 0.08 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1iio h ALA 16 Cb 0.80 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1iio h ALA 16 CO 0.07 0.05 -1.35 -0.07 0.00 0.00 0.00 179.25 177.94 1iio h LEU 17 N 0.00 0.00 -9.51 0.00 3.38 -0.23 -2.98 115.31 105.97 1iio h LEU 17 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1iio h LEU 17 Cb 0.08 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.88 1iio h LEU 17 CO 0.01 0.94 0.85 0.00 0.09 0.00 0.00 178.44 180.33 1iio n ALA 18 N -2.45 1.52 0.00 1.53 0.00 -0.66 -2.64 120.51 117.81 1iio n ALA 18 Ca -0.09 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1iio n ALA 18 Cb 0.98 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 3.58 1.60 2.44 0.00 0.00 -1.26 -4.72 105.19 106.82 1iio n GLY 19 Ca 0.17 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.56 -1.00 4.61 0.00 -1.08 -4.92 120.51 115.56 1iio n ALA 20 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.69 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 -2.19 0.00 -3.90 0.00 9.92 -1.26 -4.81 116.55 114.31 1iio n ASP 21 Ca 0.07 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.04 1iio n ASP 21 Cb 0.29 0.00 0.27 0.00 -0.64 0.00 0.00 41.12 41.04 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 -2.45 -0.56 1.24 1.16 -1.26 -4.59 117.46 111.00 1iio n PHE 22 Ca 0.00 -0.42 -0.33 0.00 -1.87 0.00 0.00 57.45 54.83 1iio n PHE 22 Cb 0.00 -1.51 -0.07 0.00 -1.61 0.00 0.00 39.48 36.28 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 -4.96 0.52 0.00 3.97 -0.04 -1.26 -3.37 135.00 129.85 1iio n PRO 23 Ca 0.07 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1iio n PRO 23 Cb 0.56 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 6.11 0.00 -0.47 0.52 2.08 -1.26 -2.39 119.36 123.95 1iio n ILE 24 Ca 0.37 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.40 1iio n ILE 24 Cb 0.30 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.13 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 1.32 -1.39 4.38 4.13 -1.22 -4.13 115.26 118.35 1iio n ASN 25 Ca 0.00 -2.35 0.10 0.00 1.68 0.00 0.00 54.58 54.01 1iio n ASN 25 Cb 0.00 -0.66 -0.06 0.00 -1.54 0.00 0.00 39.78 37.53 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 7.02 -6.95 -0.30 6.41 3.41 -1.15 -2.03 113.62 120.04 1iio n SER 26 Ca 0.32 1.39 0.25 0.00 -0.26 0.00 0.00 58.87 60.57 1iio n SER 26 Cb 0.26 -4.59 0.57 0.00 -0.26 0.00 0.00 64.21 60.19 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 -0.89 0.28 0.04 4.33 0.11 -1.88 -0.25 132.00 133.75 1iio h PRO 27 Ca -0.12 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.00 1iio h PRO 27 Cb 1.08 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1iio h PRO 27 CO 0.04 0.19 -0.40 0.93 -0.21 0.00 0.00 178.00 178.55 1iio h GLU 28 N 0.29 -0.56 0.15 1.05 5.08 -1.97 0.19 114.58 118.80 1iio h GLU 28 Ca 0.55 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.94 1iio h GLU 28 Cb 1.60 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.98 1iio h GLU 28 CO -0.20 -0.38 -0.07 1.49 -1.00 0.00 0.00 179.01 178.85 1iio h GLU 29 N -0.58 -0.20 -0.95 2.33 4.57 -0.68 -2.18 114.58 116.89 1iio h GLU 29 Ca 0.04 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.44 1iio h GLU 29 Cb 0.65 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.17 1iio h GLU 29 CO -0.29 0.07 0.52 1.37 -1.18 0.00 0.00 179.01 179.50 1iio h LEU 30 N -1.01 0.60 -1.13 1.64 8.10 -1.14 1.80 115.31 124.18 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 0.36 0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1iio h LEU 30 CO 0.03 0.15 -0.16 0.24 -4.11 0.00 0.00 178.44 174.60 1iio h MET 31 N 0.60 0.42 0.00 0.17 2.86 -0.72 -1.57 114.93 116.69 1iio h MET 31 Ca 0.57 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 58.03 1iio h MET 31 Cb 0.98 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 1iio h MET 31 CO -0.44 0.58 -0.27 0.00 1.06 0.00 0.00 176.91 177.84 1iio h ALA 32 N 1.45 1.39 -0.19 6.32 0.00 0.33 -2.94 119.26 125.61 1iio h ALA 32 Ca 0.07 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 1iio h ALA 32 Cb 0.51 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1iio h ALA 32 CO 0.03 0.34 -0.64 0.00 0.00 0.00 0.00 179.25 178.98 1iio h ALA 33 N 1.73 0.34 -1.15 0.00 0.00 0.38 -3.41 119.26 117.14 1iio h ALA 33 Ca -0.00 -0.55 -0.48 0.00 0.00 0.00 0.00 54.91 53.88 1iio h ALA 33 Cb 0.53 -0.04 0.11 0.00 0.00 0.00 0.00 17.79 18.39 1iio h ALA 33 CO 0.03 0.62 -0.65 1.28 0.00 0.00 0.00 179.25 180.54 1iio n LEU 34 N -4.02 -1.90 -0.32 0.00 4.32 -1.03 -4.69 117.00 109.36 1iio n LEU 34 Ca -0.06 0.67 0.15 0.00 -0.02 0.00 0.00 56.01 56.75 1iio n LEU 34 Cb 0.67 -0.68 0.34 0.00 -1.62 0.00 0.00 43.42 42.14 1iio n LEU 34 CO 0.51 -2.98 1.07 1.55 -1.22 0.00 0.00 177.39 176.32 1iio h PRO 35 N 0.36 0.40 0.00 3.23 0.13 -1.91 0.16 132.00 134.37 1iio h PRO 35 Ca -0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1iio h PRO 35 Cb 1.10 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1iio h PRO 35 CO 0.37 0.26 0.00 -2.95 -0.23 0.00 0.00 178.00 175.46 1iio h ASN 36 N 0.41 0.00 0.00 1.44 -0.00 -1.94 -3.48 115.58 112.01 1iio h ASN 36 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.90 1iio h ASN 36 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.50 1iio h ASN 36 CO -0.54 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.50 1iio n GLY 37 N 0.23 2.22 0.09 9.14 0.00 0.54 -4.80 105.19 112.62 1iio n GLY 37 Ca 0.02 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1iio n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iio h PRO 38 N 0.00 -0.07 0.00 1.61 0.13 -1.81 -3.31 132.00 128.55 1iio h PRO 38 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1iio h PRO 38 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1iio h PRO 38 CO 0.00 0.47 0.00 -0.40 -0.23 0.00 0.00 178.00 177.84 1iio n ASP 39 N -4.77 0.00 -4.74 1.44 5.68 -1.19 -3.42 116.55 109.54 1iio n ASP 39 Ca -0.07 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.81 1iio n ASP 39 Cb 0.28 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.24 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1iio s THR 40 N 0.00 3.02 -0.06 2.12 -1.32 -1.26 -4.90 115.64 113.25 1iio s THR 40 Ca 0.00 0.87 -0.29 0.00 -1.21 0.00 0.00 61.69 61.06 1iio s THR 40 Cb 0.00 -3.55 -0.02 0.00 -1.51 0.00 0.00 72.50 67.41 1iio s THR 40 CO 0.00 0.14 0.95 -0.89 -2.21 0.00 0.00 174.62 172.61 1iio s THR 41 N -0.08 4.86 -0.57 5.08 2.01 -1.26 -4.83 115.64 120.84 1iio s THR 41 Ca 0.56 1.96 -0.02 0.00 0.31 0.00 0.00 61.69 64.50 1iio s THR 41 Cb -0.38 -4.28 0.30 0.00 0.01 0.00 0.00 72.50 68.15 1iio s THR 41 CO 0.41 0.10 2.16 0.00 -0.69 0.00 0.00 174.62 176.61 1iio s LYS 43 N -2.97 3.34 -0.19 0.00 0.00 -1.26 -4.35 119.74 114.30 1iio s LYS 43 Ca 0.52 1.08 -0.10 0.00 0.00 0.00 0.00 55.97 57.47 1iio s LYS 43 Cb 0.40 -2.04 0.07 0.00 0.00 0.00 0.00 37.83 36.26 1iio s LYS 43 CO -0.13 -0.79 0.47 -1.12 0.00 0.00 0.00 175.35 173.79 1iio s SER 44 N -3.14 -0.60 0.00 0.03 0.01 0.06 -4.96 113.70 105.10 1iio s SER 44 Ca 0.61 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1iio s SER 44 Cb -0.14 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.02 1iio s SER 44 CO 0.41 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1iio n GLY 45 N 4.34 0.72 0.11 3.44 0.00 -1.26 -2.59 105.19 109.94 1iio n GLY 45 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1iio n GLY 45 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iio n ASP 46 N 1.54 0.00 -4.74 1.61 -0.08 -1.26 -5.12 116.55 108.49 1iio n ASP 46 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 1iio n ASP 46 Cb 0.00 0.03 -0.02 0.00 2.34 0.00 0.00 41.12 43.46 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1iio s VAL 47 N -1.10 2.81 -0.08 5.18 1.01 -1.07 -5.02 120.40 122.14 1iio s VAL 47 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.71 1iio s VAL 47 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1iio s VAL 47 CO 0.00 0.11 -0.20 -1.61 0.00 0.00 0.00 175.10 173.41 1iio s GLU 48 N -0.43 2.41 -0.02 2.72 2.02 -1.26 -0.76 118.70 123.38 1iio s GLU 48 Ca 0.58 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 1iio s GLU 48 Cb -0.40 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 31.92 1iio s GLU 48 CO 0.43 0.17 0.06 -0.51 0.02 0.00 0.00 175.26 175.43 1iio s LEU 49 N 0.33 1.72 -0.25 1.80 2.01 -1.26 -4.94 118.68 118.09 1iio s LEU 49 Ca -0.14 0.12 -0.32 0.00 0.01 0.00 0.00 54.13 53.80 1iio s LEU 49 Cb -0.16 0.20 0.17 0.00 0.01 0.00 0.00 46.19 46.41 1iio s LEU 49 CO 0.06 -0.03 1.29 -1.59 1.01 0.00 0.00 176.35 177.09 1iio s LYS 50 N 0.10 0.17 0.58 1.70 -2.85 -1.26 -1.48 119.74 116.70 1iio s LYS 50 Ca -0.01 -0.00 0.32 0.00 -1.00 0.00 0.00 55.97 55.28 1iio s LYS 50 Cb -0.01 0.08 1.39 0.00 -2.06 0.00 0.00 37.83 37.23 1iio s LYS 50 CO -0.00 -0.06 1.72 0.00 0.10 0.00 0.00 175.35 177.11 1iio h ALA 51 N 2.09 2.73 0.49 0.59 0.00 -1.93 0.30 119.26 123.52 1iio h ALA 51 Ca -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1iio h ALA 51 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1iio h ALA 51 CO 0.23 -1.26 -0.23 1.03 0.00 0.00 0.00 179.25 179.02 1iio h SER 52 N 0.00 -0.55 0.16 0.00 0.87 -1.94 0.12 113.55 112.21 1iio h SER 52 Ca 0.42 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 1iio h SER 52 Cb 2.02 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 64.13 1iio h SER 52 CO -0.00 -0.26 -0.08 0.44 -0.53 0.00 0.00 176.83 176.40 1iio h ASP 53 N -0.93 -0.19 -0.12 6.23 3.32 -1.72 -3.31 116.42 119.71 1iio h ASP 53 Ca -0.07 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 1iio h ASP 53 Cb 0.50 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1iio h ASP 53 CO 0.11 0.36 -0.28 0.00 -1.72 0.00 0.00 179.24 177.71 1iio h ALA 54 N -0.28 0.20 -1.18 3.45 0.00 -0.63 -3.17 119.26 117.65 1iio h ALA 54 Ca -0.02 -0.41 0.34 0.00 0.00 0.00 0.00 54.91 54.82 1iio h ALA 54 Cb 0.53 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1iio h ALA 54 CO 0.04 0.21 1.01 0.78 0.00 0.00 0.00 179.25 181.29 1iio h GLY 55 N -0.00 0.00 -1.08 0.00 0.00 -0.60 0.97 103.07 102.36 1iio h GLY 55 Ca -0.00 0.00 0.43 0.00 0.00 0.00 0.00 47.33 47.76 1iio h GLY 55 CO 0.06 0.00 0.80 -1.61 0.00 0.00 0.00 176.54 175.79 1iio h GLN 56 N 0.00 0.09 -0.99 4.80 4.15 -1.63 1.07 115.11 122.60 1iio h GLN 56 Ca 0.56 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.91 1iio h GLN 56 Cb 2.58 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 30.22 1iio h GLN 56 CO -0.01 0.06 0.08 1.33 -1.93 0.00 0.00 178.83 178.36 1iio n VAL 57 N -4.78 1.17 -3.37 2.39 0.24 0.34 -4.40 118.33 109.91 1iio n VAL 57 Ca 0.37 -0.28 -0.26 0.00 -2.04 0.00 0.00 64.34 62.13 1iio n VAL 57 Cb 1.39 -0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 32.84 1iio n VAL 57 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1iio n LEU 58 N 0.22 0.08 -4.09 1.34 4.77 0.37 -5.05 117.00 114.64 1iio n LEU 58 Ca 0.08 -4.56 -0.24 0.00 -0.03 0.00 0.00 56.01 51.27 1iio n LEU 58 Cb 0.63 0.44 0.14 0.00 -2.33 0.00 0.00 43.42 42.30 1iio n LEU 58 CO 0.09 1.92 -0.41 0.35 -1.33 0.00 0.00 177.39 178.01 1iio n THR 59 N 2.31 0.00 -0.32 -5.08 -2.24 -1.26 -4.68 114.28 103.01 1iio n THR 59 Ca 0.27 -0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.98 1iio n THR 59 Cb 0.48 -0.45 0.24 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.28 1.51 -0.79 6.98 0.00 -1.98 -0.87 119.26 121.83 1iio h ALA 60 Ca -0.35 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 60 Cb 1.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1iio h ALA 60 CO 0.23 0.33 0.64 0.22 0.00 0.00 0.00 179.25 180.66 1iio h ASP 61 N 1.04 0.00 0.00 0.00 3.58 -2.03 0.67 116.42 119.67 1iio h ASP 61 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1iio h ASP 61 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1iio h ASP 61 CO -0.17 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.66 1iio n ASP 62 N -4.03 0.00 0.00 2.28 8.00 -0.33 -4.34 116.55 118.13 1iio n ASP 62 Ca 0.16 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1iio n ASP 62 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 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 -0.83 0.00 -1.77 1.24 3.01 0.23 -2.99 117.46 116.36 1iio n PHE 63 Ca 0.12 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.28 1iio n PHE 63 Cb 0.06 -0.43 -0.07 0.00 -0.01 0.00 0.00 39.48 39.02 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 -2.56 1.35 -2.63 -1.08 -0.04 -1.26 -2.91 135.00 125.87 1iio n PRO 64 Ca 0.00 -2.21 -0.37 0.00 -0.04 0.00 0.00 63.50 60.88 1iio n PRO 64 Cb 0.00 -3.55 -0.05 0.00 -0.04 0.00 0.00 33.50 29.86 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 10.44 3.48 -0.81 0.54 0.08 -1.16 -4.91 117.98 125.64 1iio s PHE 65 Ca 0.68 1.71 -0.13 0.00 0.12 0.00 0.00 56.93 59.31 1iio s PHE 65 Cb 0.02 -3.06 -0.10 0.00 -0.57 0.00 0.00 43.02 39.32 1iio s PHE 65 CO 0.15 -0.27 1.98 1.63 -0.10 0.00 0.00 175.22 178.61 1iio n LYS 66 N 0.34 1.73 -1.20 0.44 5.02 -1.26 -4.80 118.16 118.43 1iio n LYS 66 Ca 0.03 -1.58 0.14 0.00 -2.02 0.00 0.00 58.31 54.89 1iio n LYS 66 Cb 0.49 -2.63 -0.08 0.00 -0.02 0.00 0.00 35.03 32.79 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 5.67 -6.50 0.00 4.39 7.64 -1.20 -2.42 113.62 121.20 1iio n SER 67 Ca 0.45 1.21 0.23 0.00 1.01 0.00 0.00 58.87 61.77 1iio n SER 67 Cb 0.24 -4.12 0.72 0.00 -1.01 0.00 0.00 64.21 60.04 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 -1.18 2.37 -0.59 -0.43 0.00 -1.78 0.22 119.26 117.86 1iio h ALA 68 Ca -0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1iio h ALA 68 Cb 1.15 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1iio h ALA 68 CO 0.06 -0.82 0.05 1.05 0.00 0.00 0.00 179.25 179.58 1iio h GLU 69 N 0.00 1.00 -0.20 0.00 4.11 -1.90 0.17 114.58 117.76 1iio h GLU 69 Ca 0.27 -0.28 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1iio h GLU 69 Cb 1.33 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1iio h GLU 69 CO -0.00 0.95 -0.06 1.49 0.07 0.00 0.00 179.01 181.46 1iio h GLU 70 N 0.93 0.39 -0.26 1.06 4.57 -0.22 -2.67 114.58 118.37 1iio h GLU 70 Ca 0.18 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1iio h GLU 70 Cb 0.48 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1iio h GLU 70 CO 0.02 0.66 -0.01 0.28 -1.18 0.00 0.00 179.01 178.78 1iio h VAL 71 N 0.10 1.26 -0.62 0.32 2.07 -1.32 0.14 116.25 118.20 1iio h VAL 71 Ca 0.05 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.71 1iio h VAL 71 Cb 0.52 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 1iio h VAL 71 CO 0.02 0.30 0.29 0.00 0.02 0.00 0.00 177.57 178.20 1iio h ALA 72 N 0.81 0.81 -0.25 1.67 0.00 -0.69 0.21 119.26 121.82 1iio h ALA 72 Ca 0.07 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1iio h ALA 72 Cb 0.43 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1iio h ALA 72 CO 0.02 -0.10 -0.25 -0.44 0.00 0.00 0.00 179.25 178.48 1iio h ASP 73 N 0.52 0.66 -0.39 0.00 3.32 -1.37 -2.83 116.42 116.33 1iio h ASP 73 Ca 0.30 -0.48 0.03 0.00 0.02 0.00 0.00 57.03 56.90 1iio h ASP 73 Cb 0.29 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1iio h ASP 73 CO -0.24 1.00 0.18 0.74 -1.72 0.00 0.00 179.24 179.20 1iio h THR 74 N 0.33 0.96 0.37 0.35 2.02 -0.01 0.18 112.91 117.11 1iio h THR 74 Ca 0.04 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1iio h THR 74 Cb 0.81 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1iio h THR 74 CO 0.06 0.07 -0.26 0.40 0.37 0.00 0.00 175.52 176.16 1iio h ILE 75 N 0.37 0.46 -0.64 3.11 2.04 -0.63 0.32 117.51 122.55 1iio h ILE 75 Ca 0.17 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.06 1iio h ILE 75 Cb 0.09 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1iio h ILE 75 CO -0.13 0.00 0.39 -0.37 0.00 0.00 0.00 178.15 178.04 1iio h VAL 76 N -0.62 1.07 0.37 1.67 -1.51 -1.33 0.90 116.25 116.80 1iio h VAL 76 Ca -0.03 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.15 1iio h VAL 76 Cb 0.52 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 1iio h VAL 76 CO 0.02 0.14 -0.18 0.78 -1.23 0.00 0.00 177.57 177.10 1iio h ASN 77 N 0.77 -0.42 -0.22 4.19 4.21 -0.76 1.05 115.58 124.40 1iio h ASN 77 Ca 0.26 -0.06 -0.18 0.00 1.21 0.00 0.00 56.30 57.53 1iio h ASN 77 Cb 0.03 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1iio h ASN 77 CO -0.11 -0.20 -0.56 0.11 -1.29 0.00 0.00 177.43 175.38 1iio h LYS 78 N -0.62 0.76 0.00 0.81 1.57 -0.83 -3.22 116.57 115.04 1iio h LYS 78 Ca -0.05 -0.53 -0.07 0.00 -1.87 0.00 0.00 60.65 58.13 1iio h LYS 78 Cb 0.45 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1iio h LYS 78 CO 0.08 1.15 -0.35 0.00 -0.57 0.00 0.00 179.45 179.76 1iio h ALA 79 N 0.61 1.42 0.00 3.86 0.00 0.81 -3.47 119.26 122.48 1iio h ALA 79 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1iio h ALA 79 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1iio h ALA 79 CO 0.12 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1iio n GLY 80 N -0.52 1.02 0.00 0.00 0.00 -0.19 -5.04 105.19 100.47 1iio n GLY 80 Ca -0.02 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36