#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iio s SER -2 N 0.00 6.41 0.08 1.61 0.01 -1.26 -4.68 113.70 115.88 1iio s SER -2 Ca 0.00 2.94 0.00 0.00 1.31 0.00 0.00 55.95 60.20 1iio s SER -2 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1iio s SER -2 CO 0.00 -0.87 0.00 1.57 0.41 0.00 0.00 173.24 174.35 1iio n HIS -1 N 1.67 -2.48 -3.03 2.43 -0.00 -1.26 -5.13 115.22 107.41 1iio n HIS -1 Ca 0.06 0.29 -0.40 0.00 0.46 0.00 0.00 57.72 58.13 1iio n HIS -1 Cb 0.38 1.04 -0.05 0.00 -0.12 0.00 0.00 29.99 31.24 1iio n HIS -1 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1iio s MET 1 N -2.00 4.46 -0.29 1.57 1.00 -1.26 -5.04 119.30 117.73 1iio s MET 1 Ca 0.00 1.01 -0.20 0.00 0.00 0.00 0.00 55.69 56.50 1iio s MET 1 Cb 0.00 -3.33 0.18 0.00 0.00 0.00 0.00 34.83 31.68 1iio s MET 1 CO 0.00 0.37 1.23 0.21 0.00 0.00 0.00 175.02 176.83 1iio s LYS 2 N -0.34 0.18 -0.30 2.03 2.36 -1.26 -5.17 119.74 117.25 1iio s LYS 2 Ca 0.36 0.26 -0.17 0.00 -2.55 0.00 0.00 55.97 53.87 1iio s LYS 2 Cb -0.21 0.06 0.19 0.00 -1.05 0.00 0.00 37.83 36.83 1iio s LYS 2 CO 0.22 -0.03 1.21 1.41 1.55 0.00 0.00 175.35 179.72 1iio s MET 3 N 0.68 0.10 0.00 4.03 1.75 -1.26 -5.11 119.30 119.49 1iio s MET 3 Ca -0.02 0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.63 1iio s MET 3 Cb -0.04 0.08 0.00 0.00 2.84 0.00 0.00 34.83 37.71 1iio s MET 3 CO -0.12 -0.03 0.00 0.41 -0.65 0.00 0.00 175.02 174.63 1iio n GLY 4 N 3.91 -0.65 0.00 2.11 0.00 -1.26 -4.93 105.19 104.37 1iio n GLY 4 Ca -0.12 0.35 0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 0.92 -0.26 1.61 3.14 -1.26 -3.43 118.33 119.06 1iio n VAL 5 Ca 0.00 0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.61 1iio n VAL 5 Cb 0.00 -1.18 0.07 0.00 -1.06 0.00 0.00 33.84 31.67 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 3.64 -1.99 0.77 116.57 120.41 1iio h LYS 6 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 1iio h LYS 6 Cb 0.03 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1iio h LYS 6 CO 0.00 -0.02 -0.84 1.49 -2.27 0.00 0.00 179.45 177.81 1iio h GLU 7 N -0.04 0.00 0.17 1.90 4.81 -1.97 -2.68 114.58 116.78 1iio h GLU 7 Ca 0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1iio h GLU 7 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1iio h GLU 7 CO -0.77 0.84 -0.08 -0.44 -0.73 0.00 0.00 179.01 177.83 1iio h ASP 8 N 0.00 -0.19 -0.29 1.04 5.19 -0.12 0.30 116.42 122.35 1iio h ASP 8 Ca -0.01 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.22 1iio h ASP 8 Cb 1.52 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.07 1iio h ASP 8 CO 0.11 0.06 0.12 0.40 -3.12 0.00 0.00 179.24 176.81 1iio h ILE 9 N -0.45 1.18 -0.17 0.35 2.04 0.14 -0.10 117.51 120.50 1iio h ILE 9 Ca -0.02 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.35 1iio h ILE 9 Cb 0.35 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1iio h ILE 9 CO 0.04 0.18 0.18 -0.09 0.00 0.00 0.00 178.15 178.46 1iio h ARG 10 N 0.32 0.00 -0.11 2.37 9.65 -1.40 0.62 114.38 125.83 1iio h ARG 10 Ca 0.10 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1iio h ARG 10 Cb 0.18 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1iio h ARG 10 CO -0.01 0.00 0.01 0.78 2.80 0.00 0.00 179.97 183.56 1iio h GLY 11 N 0.00 0.20 2.00 2.80 0.00 0.15 0.17 103.07 108.39 1iio h GLY 11 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1iio h GLY 11 CO -0.00 0.13 -0.12 1.46 0.00 0.00 0.00 176.54 178.01 1iio h GLN 12 N -0.05 0.00 -0.16 4.80 4.20 -0.55 -2.35 115.11 121.00 1iio h GLN 12 Ca 0.03 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1iio h GLN 12 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1iio h GLN 12 CO 0.00 0.12 -0.20 0.82 -0.67 0.00 0.00 178.83 178.90 1iio h ILE 13 N 0.00 1.35 -0.42 2.54 2.04 -0.33 -0.74 117.51 121.95 1iio h ILE 13 Ca -0.00 -1.40 0.07 0.00 1.00 0.00 0.00 64.86 64.53 1iio h ILE 13 Cb 0.22 1.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 1iio h ILE 13 CO 0.02 0.42 0.02 0.40 0.00 0.00 0.00 178.15 179.01 1iio h ILE 14 N 0.04 0.71 -0.53 -0.67 1.08 -0.16 0.25 117.51 118.23 1iio h ILE 14 Ca 0.02 -0.05 -0.07 0.00 -0.39 0.00 0.00 64.86 64.38 1iio h ILE 14 Cb 0.76 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1iio h ILE 14 CO 0.05 0.03 0.06 1.23 -0.69 0.00 0.00 178.15 178.83 1iio h GLY 15 N 0.14 0.92 2.00 5.37 0.00 -1.49 -1.85 103.07 108.16 1iio h GLY 15 Ca 0.21 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1iio h GLY 15 CO -0.32 0.54 -0.10 0.00 0.00 0.00 0.00 176.54 176.66 1iio h ALA 16 N 1.26 1.61 0.00 3.60 0.00 0.59 -1.63 119.26 124.69 1iio h ALA 16 Ca 0.16 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1iio h ALA 16 Cb 0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1iio h ALA 16 CO 0.01 0.13 -1.00 -0.07 0.00 0.00 0.00 179.25 178.31 1iio h LEU 17 N 0.00 0.00 -9.69 0.00 3.38 0.18 -3.00 115.31 106.18 1iio h LEU 17 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1iio h LEU 17 Cb 0.21 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.04 1iio h LEU 17 CO 0.01 0.96 0.73 0.00 0.09 0.00 0.00 178.44 180.23 1iio n ALA 18 N -2.35 1.78 0.00 1.53 0.00 -0.62 -2.73 120.51 118.13 1iio n ALA 18 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1iio n ALA 18 Cb 0.93 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 2.11 1.84 1.71 0.00 0.00 -1.26 -4.69 105.19 104.90 1iio n GLY 19 Ca 0.10 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.86 -1.00 4.61 0.00 -1.10 -4.93 120.51 116.23 1iio n ALA 20 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 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 -2.20 0.00 -3.08 0.00 9.92 -1.26 -4.85 116.55 115.09 1iio n ASP 21 Ca 0.05 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.20 1iio n ASP 21 Cb 0.21 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 40.79 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 -2.62 -0.68 1.24 1.16 -1.26 -4.60 117.46 110.70 1iio n PHE 22 Ca 0.00 -0.28 -0.22 0.00 -1.87 0.00 0.00 57.45 55.08 1iio n PHE 22 Cb 0.00 -0.43 -0.02 0.00 -1.61 0.00 0.00 39.48 37.41 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 -3.32 1.67 0.00 3.97 -0.04 -1.26 -3.93 135.00 132.09 1iio n PRO 23 Ca 0.05 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1iio n PRO 23 Cb 0.21 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 4.61 0.00 -0.56 0.52 2.08 -1.26 -2.14 119.36 122.61 1iio n ILE 24 Ca 0.39 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.41 1iio n ILE 24 Cb 0.15 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 38.99 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 1.74 -1.51 4.38 5.03 -1.25 -4.06 115.26 119.58 1iio n ASN 25 Ca 0.00 -2.38 0.09 0.00 0.87 0.00 0.00 54.58 53.16 1iio n ASN 25 Cb 0.00 -0.74 -0.05 0.00 -1.02 0.00 0.00 39.78 37.97 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 6.78 -7.94 -0.30 6.41 3.41 -0.99 -2.07 113.62 118.93 1iio n SER 26 Ca 0.35 1.63 0.27 0.00 -0.26 0.00 0.00 58.87 60.86 1iio n SER 26 Cb 0.26 -5.00 0.60 0.00 -0.26 0.00 0.00 64.21 59.81 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 -0.64 0.23 0.07 4.33 0.11 -1.91 -1.02 132.00 133.16 1iio h PRO 27 Ca -0.10 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.02 1iio h PRO 27 Cb 1.15 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1iio h PRO 27 CO 0.04 0.15 -0.36 0.93 -0.21 0.00 0.00 178.00 178.55 1iio h GLU 28 N 0.24 -0.54 0.21 1.05 4.39 -1.98 0.20 114.58 118.15 1iio h GLU 28 Ca 0.55 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.28 1iio h GLU 28 Cb 1.71 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1iio h GLU 28 CO -0.17 -0.36 -0.10 1.49 -1.16 0.00 0.00 179.01 178.71 1iio h GLU 29 N -0.56 -0.28 -1.01 2.33 4.57 -0.68 -2.25 114.58 116.71 1iio h GLU 29 Ca 0.04 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.46 1iio h GLU 29 Cb 0.61 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.15 1iio h GLU 29 CO -0.24 -0.02 0.61 1.37 -1.18 0.00 0.00 179.01 179.54 1iio h LEU 30 N -1.02 0.71 -1.16 1.64 8.10 -1.29 1.90 115.31 124.20 1iio h LEU 30 Ca -0.03 0.12 -0.06 0.00 0.11 0.00 0.00 57.88 58.02 1iio h LEU 30 Cb 0.39 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.59 1iio h LEU 30 CO 0.05 0.18 -0.02 0.24 -4.11 0.00 0.00 178.44 174.78 1iio h MET 31 N 0.65 0.56 0.00 0.17 2.86 -0.67 -1.24 114.93 117.26 1iio h MET 31 Ca 0.61 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 58.06 1iio h MET 31 Cb 1.09 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 1iio h MET 31 CO -0.42 0.60 -0.29 0.00 1.06 0.00 0.00 176.91 177.86 1iio h ALA 32 N 1.45 1.18 -0.21 6.32 0.00 0.35 -3.08 119.26 125.27 1iio h ALA 32 Ca 0.11 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1iio h ALA 32 Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1iio h ALA 32 CO 0.01 0.36 -0.36 0.00 0.00 0.00 0.00 179.25 179.27 1iio h ALA 33 N 1.71 0.32 -0.87 0.00 0.00 0.54 -3.42 119.26 117.55 1iio h ALA 33 Ca -0.00 -0.43 -0.59 0.00 0.00 0.00 0.00 54.91 53.88 1iio h ALA 33 Cb 0.66 -0.06 0.09 0.00 0.00 0.00 0.00 17.79 18.48 1iio h ALA 33 CO 0.04 0.39 -0.40 1.28 0.00 0.00 0.00 179.25 180.55 1iio n LEU 34 N -4.28 -0.97 -0.34 0.00 4.32 -1.02 -4.73 117.00 109.99 1iio n LEU 34 Ca -0.06 0.98 0.33 0.00 -0.02 0.00 0.00 56.01 57.25 1iio n LEU 34 Cb 0.51 -0.82 0.70 0.00 -1.62 0.00 0.00 43.42 42.19 1iio n LEU 34 CO 0.45 -2.49 1.30 1.55 -1.22 0.00 0.00 177.39 176.98 1iio h PRO 35 N 1.06 0.08 0.00 3.23 0.13 -1.90 0.36 132.00 134.95 1iio h PRO 35 Ca -0.26 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 1iio h PRO 35 Cb 1.25 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1iio h PRO 35 CO 0.50 0.06 -0.32 -0.97 -0.23 0.00 0.00 178.00 177.03 1iio h ASN 36 N 0.09 0.00 0.00 1.44 -1.24 -1.93 -3.48 115.58 110.45 1iio h ASN 36 Ca 0.59 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.60 1iio h ASN 36 Cb 2.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.20 1iio h ASN 36 CO -0.09 0.32 0.00 0.61 -1.29 0.00 0.00 177.43 176.99 1iio n GLY 37 N 0.23 2.15 0.13 1.57 0.00 0.12 -4.78 105.19 104.61 1iio n GLY 37 Ca -0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.19 0.00 1.61 0.13 -1.83 -3.31 132.00 128.41 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 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1iio h PRO 38 CO 0.00 0.25 0.00 -0.40 -0.23 0.00 0.00 178.00 177.62 1iio n ASP 39 N -4.90 0.00 -4.72 1.44 5.75 -1.21 -3.58 116.55 109.32 1iio n ASP 39 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.29 1iio n ASP 39 Cb 0.26 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1iio s THR 40 N 0.00 4.63 -0.24 2.12 -1.32 -1.26 -4.92 115.64 114.64 1iio s THR 40 Ca 0.00 2.02 -0.13 0.00 -1.21 0.00 0.00 61.69 62.37 1iio s THR 40 Cb 0.00 -4.30 -0.05 0.00 -1.51 0.00 0.00 72.50 66.65 1iio s THR 40 CO 0.00 0.28 0.26 0.28 -2.21 0.00 0.00 174.62 173.23 1iio s THR 41 N 0.28 5.28 -0.94 5.08 -1.32 -1.26 -4.85 115.64 117.90 1iio s THR 41 Ca 0.47 0.37 -0.12 0.00 -1.21 0.00 0.00 61.69 61.20 1iio s THR 41 Cb -0.22 -3.59 -0.09 0.00 -1.51 0.00 0.00 72.50 67.09 1iio s THR 41 CO 0.29 0.27 2.10 0.00 -2.21 0.00 0.00 174.62 175.07 1iio s LYS 43 N 3.89 3.93 -0.22 0.00 -2.85 -1.26 -4.44 119.74 118.79 1iio s LYS 43 Ca 0.48 1.42 -0.12 0.00 -1.00 0.00 0.00 55.97 56.75 1iio s LYS 43 Cb 0.12 -2.26 0.07 0.00 -2.06 0.00 0.00 37.83 33.71 1iio s LYS 43 CO 0.02 -0.33 0.54 -1.12 0.10 0.00 0.00 175.35 174.56 1iio s SER 44 N -1.82 -0.72 -1.18 0.03 0.01 0.13 -4.94 113.70 105.21 1iio s SER 44 Ca 0.64 1.19 -0.01 0.00 1.31 0.00 0.00 55.95 59.08 1iio s SER 44 Cb -0.18 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.14 1iio s SER 44 CO 0.23 -0.22 0.99 0.61 0.41 0.00 0.00 173.24 175.26 1iio n GLY 45 N 4.34 -0.35 4.00 3.44 0.00 -1.26 -2.59 105.19 112.77 1iio n GLY 45 Ca -0.21 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.03 0.00 -4.74 1.61 -0.08 -1.26 -4.96 116.55 104.08 1iio n ASP 46 Ca -0.24 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.63 1iio n ASP 46 Cb 0.65 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.08 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 0.00 2.81 -0.05 5.18 1.01 -1.07 -5.02 120.40 123.25 1iio s VAL 47 Ca 0.00 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.69 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 0.11 -0.15 -1.61 0.00 0.00 0.00 175.10 173.45 1iio s GLU 48 N -0.31 1.75 -0.02 2.72 2.02 -1.26 0.22 118.70 123.82 1iio s GLU 48 Ca 0.59 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 55.06 1iio s GLU 48 Cb -0.40 -1.48 0.01 0.00 0.10 0.00 0.00 34.13 32.36 1iio s GLU 48 CO 0.42 0.14 -0.01 -0.51 0.02 0.00 0.00 175.26 175.32 1iio s LEU 49 N 0.31 1.56 0.00 1.80 2.01 -1.26 -4.95 118.68 118.14 1iio s LEU 49 Ca -0.09 -0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.01 1iio s LEU 49 Cb -0.13 -0.19 0.00 0.00 0.01 0.00 0.00 46.19 45.88 1iio s LEU 49 CO 0.03 -0.04 0.00 2.29 1.01 0.00 0.00 176.35 179.64 1iio n LYS 50 N 3.61 0.00 0.08 1.70 2.85 -1.26 -2.19 118.16 122.95 1iio n LYS 50 Ca -0.20 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.84 1iio n LYS 50 Cb 0.54 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.79 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 -0.03 -0.34 0.58 0.00 -1.91 -0.59 119.26 118.97 1iio h ALA 51 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1iio h ALA 51 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1iio h ALA 51 CO 0.00 0.61 0.11 1.03 0.00 0.00 0.00 179.25 181.00 1iio h SER 52 N 0.14 0.50 0.11 0.00 0.87 -1.92 1.62 113.55 114.86 1iio h SER 52 Ca -0.18 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1iio h SER 52 Cb 1.84 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1iio h SER 52 CO 0.22 0.56 -0.05 -0.78 -0.53 0.00 0.00 176.83 176.25 1iio h ASP 53 N 0.40 -0.13 0.01 6.23 1.82 -1.96 -3.34 116.42 119.45 1iio h ASP 53 Ca 0.11 -0.44 -0.38 0.00 -0.39 0.00 0.00 57.03 55.93 1iio h ASP 53 Cb 0.24 0.03 -0.06 0.00 0.68 0.00 0.00 39.33 40.22 1iio h ASP 53 CO -0.00 0.44 -2.12 0.00 -1.61 0.00 0.00 179.24 175.94 1iio n ALA 54 N -2.50 1.08 -0.35 -0.78 0.00 -0.26 -4.41 120.51 113.28 1iio n ALA 54 Ca -0.08 -0.89 0.37 0.00 0.00 0.00 0.00 53.44 52.84 1iio n ALA 54 Cb 0.28 -0.15 0.70 0.00 0.00 0.00 0.00 19.45 20.29 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 0.00 -1.06 0.00 0.00 0.27 -0.75 103.07 100.94 1iio h GLY 55 Ca -0.57 0.00 0.43 0.00 0.00 0.00 0.00 47.33 47.19 1iio h GLY 55 CO -0.30 0.00 1.01 0.06 0.00 0.00 0.00 176.54 177.31 1iio h GLN 56 N 0.00 0.07 -0.21 4.80 3.07 -1.26 0.88 115.11 122.46 1iio h GLN 56 Ca 0.61 -0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.27 1iio h GLN 56 Cb 2.68 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 30.21 1iio h GLN 56 CO -0.01 0.04 -0.17 -0.39 0.09 0.00 0.00 178.83 178.40 1iio h VAL 57 N 0.07 1.22 -2.87 1.86 -1.51 -1.44 -3.42 116.25 110.15 1iio h VAL 57 Ca 0.76 -0.99 -0.54 0.00 -1.23 0.00 0.00 66.70 64.70 1iio h VAL 57 Cb 2.75 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 33.15 1iio h VAL 57 CO -0.17 0.31 0.87 -0.76 -1.23 0.00 0.00 177.57 176.59 1iio s LEU 58 N -8.74 4.31 0.00 4.19 1.43 0.31 -5.01 118.68 115.17 1iio s LEU 58 Ca -0.06 2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 55.06 1iio s LEU 58 Cb 0.15 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.95 1iio s LEU 58 CO 0.76 -0.75 0.85 0.35 0.23 0.00 0.00 176.35 177.79 1iio n THR 59 N 4.78 0.00 -0.11 5.49 -2.24 -1.26 -4.96 114.28 115.98 1iio n THR 59 Ca 0.14 -0.66 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 1iio n THR 59 Cb 0.43 -1.64 -0.03 0.00 -2.10 0.00 0.00 70.33 66.99 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 -1.78 0.45 -0.27 6.98 0.00 -1.98 -2.88 119.26 119.79 1iio h ALA 60 Ca -0.28 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.41 1iio h ALA 60 Cb 0.77 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1iio h ALA 60 CO 0.20 0.31 0.39 0.38 0.00 0.00 0.00 179.25 180.53 1iio h ASP 61 N 0.42 0.00 0.00 0.00 3.04 -2.03 0.18 116.42 118.03 1iio h ASP 61 Ca 0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 1iio h ASP 61 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.89 1iio h ASP 61 CO 0.04 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 177.71 1iio n ASP 62 N -3.46 0.00 -0.16 4.15 9.92 -1.09 -4.21 116.55 121.70 1iio n ASP 62 Ca 0.04 -0.73 -0.07 0.00 -0.53 0.00 0.00 54.79 53.50 1iio n ASP 62 Cb 0.52 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.95 1iio n ASP 62 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1iio h PHE 63 N 0.00 -0.98 -0.25 1.24 -1.00 -1.15 -3.02 116.94 111.77 1iio h PHE 63 Ca 0.00 0.06 -0.52 0.00 2.81 0.00 0.00 57.97 60.32 1iio h PHE 63 Cb 0.00 0.48 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1iio h PHE 63 CO 0.00 -0.23 1.79 -0.35 -1.61 0.00 0.00 178.31 177.91 1iio n PRO 64 N -4.19 1.68 -2.61 1.51 -0.04 -1.26 -2.36 135.00 127.73 1iio n PRO 64 Ca -0.00 -2.22 -0.39 0.00 -0.04 0.00 0.00 63.50 60.84 1iio n PRO 64 Cb 0.16 -3.32 -0.05 0.00 -0.04 0.00 0.00 33.50 30.25 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 7.54 3.67 -0.55 0.54 0.08 -1.14 -4.91 117.98 123.21 1iio s PHE 65 Ca 0.62 1.77 -0.25 0.00 0.12 0.00 0.00 56.93 59.19 1iio s PHE 65 Cb 0.07 -3.11 -0.22 0.00 -0.57 0.00 0.00 43.02 39.19 1iio s PHE 65 CO 0.12 -0.14 1.83 1.17 -0.10 0.00 0.00 175.22 178.10 1iio n LYS 66 N 0.99 1.04 -1.40 0.44 4.81 -1.26 -4.77 118.16 118.00 1iio n LYS 66 Ca 0.00 -1.60 0.17 0.00 -0.87 0.00 0.00 58.31 56.00 1iio n LYS 66 Cb 0.47 -2.82 -0.08 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 1.17 0.00 0.00 177.40 179.00 1iio n SER 67 N 8.25 -7.52 -0.18 3.14 7.64 -1.21 -2.56 113.62 121.19 1iio n SER 67 Ca 0.49 1.28 0.25 0.00 1.01 0.00 0.00 58.87 61.90 1iio n SER 67 Cb 0.41 -4.74 0.66 0.00 -1.01 0.00 0.00 64.21 59.54 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 -1.42 2.64 -0.32 -0.43 0.00 -1.73 -1.50 119.26 116.50 1iio h ALA 68 Ca -0.17 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1iio h ALA 68 Cb 1.31 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1iio h ALA 68 CO 0.07 -0.89 0.06 1.05 0.00 0.00 0.00 179.25 179.54 1iio h GLU 69 N 0.11 0.17 -0.12 0.00 4.11 -1.90 0.12 114.58 117.07 1iio h GLU 69 Ca 0.42 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.64 1iio h GLU 69 Cb 1.49 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1iio h GLU 69 CO -0.05 0.11 -0.72 1.05 0.07 0.00 0.00 179.01 179.47 1iio h GLU 70 N 0.18 0.57 -0.40 1.06 4.11 -1.00 -2.83 114.58 116.27 1iio h GLU 70 Ca 0.15 -0.45 -0.02 0.00 0.07 0.00 0.00 59.36 59.11 1iio h GLU 70 Cb 0.16 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1iio h GLU 70 CO -0.20 1.07 0.18 0.28 0.07 0.00 0.00 179.01 180.42 1iio h VAL 71 N 0.40 1.14 0.46 -1.06 2.07 -1.17 0.32 116.25 118.42 1iio h VAL 71 Ca -0.03 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1iio h VAL 71 Cb 1.31 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1iio h VAL 71 CO 0.13 0.17 -0.22 0.00 0.02 0.00 0.00 177.57 177.67 1iio h ALA 72 N 1.65 -0.62 -0.58 1.67 0.00 -0.67 -2.62 119.26 118.08 1iio h ALA 72 Ca 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1iio h ALA 72 Cb 0.08 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1iio h ALA 72 CO -0.02 -0.63 0.17 -0.44 0.00 0.00 0.00 179.25 178.34 1iio h ASP 73 N -1.07 0.84 -0.38 0.00 5.19 -1.42 -2.79 116.42 116.79 1iio h ASP 73 Ca -0.06 -0.21 0.06 0.00 -0.62 0.00 0.00 57.03 56.19 1iio h ASP 73 Cb 0.56 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.79 1iio h ASP 73 CO 0.10 0.83 0.08 0.74 -3.12 0.00 0.00 179.24 177.87 1iio h THR 74 N 0.81 0.81 0.14 0.35 2.02 -0.45 -1.78 112.91 114.80 1iio h THR 74 Ca 0.18 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1iio h THR 74 Cb 0.29 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1iio h THR 74 CO -0.00 0.04 -0.07 0.40 0.37 0.00 0.00 175.52 176.26 1iio h ILE 75 N 0.20 0.94 -0.75 3.11 2.04 -1.38 -2.73 117.51 118.94 1iio h ILE 75 Ca 0.18 -0.33 0.11 0.00 1.00 0.00 0.00 64.86 65.82 1iio h ILE 75 Cb 0.21 1.15 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 1iio h ILE 75 CO -0.24 0.08 0.38 -0.37 0.00 0.00 0.00 178.15 178.00 1iio h VAL 76 N -0.34 0.82 -0.16 1.67 -1.51 -1.32 0.61 116.25 116.02 1iio h VAL 76 Ca -0.02 -0.21 0.03 0.00 -1.23 0.00 0.00 66.70 65.27 1iio h VAL 76 Cb 0.27 0.15 -0.03 0.00 -2.13 0.00 0.00 31.29 29.55 1iio h VAL 76 CO 0.03 0.11 -0.00 0.78 -1.23 0.00 0.00 177.57 177.26 1iio h ASN 77 N 0.62 -0.06 -0.13 4.19 -0.26 -1.24 0.18 115.58 118.87 1iio h ASN 77 Ca 0.38 0.04 -0.20 0.00 -0.56 0.00 0.00 56.30 55.95 1iio h ASN 77 Cb 0.43 0.06 0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1iio h ASN 77 CO -0.29 -0.01 -0.71 0.11 -1.06 0.00 0.00 177.43 175.47 1iio h LYS 78 N 0.05 0.71 -0.01 0.81 1.57 -1.09 -3.27 116.57 115.34 1iio h LYS 78 Ca 0.08 -0.59 -0.08 0.00 -1.87 0.00 0.00 60.65 58.19 1iio h LYS 78 Cb 0.09 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1iio h LYS 78 CO -0.13 1.20 -0.36 0.00 -0.57 0.00 0.00 179.45 179.59 1iio h ALA 79 N 0.52 1.38 0.00 3.86 0.00 0.35 -3.47 119.26 121.89 1iio h ALA 79 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1iio h ALA 79 Cb 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1iio h ALA 79 CO 0.15 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1iio n GLY 80 N -0.47 1.48 0.00 0.00 0.00 0.39 -5.05 105.19 101.55 1iio n GLY 80 Ca -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.93 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36