#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 0.00 -0.47 1.61 7.64 -1.26 -4.97 113.62 116.18 1iio n SER -2 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1iio n SER -2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1iio n SER -2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iio n HIS -1 N 13.79 -1.93 -2.27 1.43 -0.00 -1.26 -4.52 115.22 120.46 1iio n HIS -1 Ca 0.00 0.30 -0.42 0.00 -0.00 0.00 0.00 57.72 57.60 1iio n HIS -1 Cb 0.00 -0.49 -0.03 0.00 -0.00 0.00 0.00 29.99 29.47 1iio n HIS -1 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1iio s MET 1 N -0.63 4.31 0.14 -1.40 1.00 -1.26 -4.92 119.30 116.54 1iio s MET 1 Ca 0.00 1.92 -0.04 0.00 0.00 0.00 0.00 55.69 57.57 1iio s MET 1 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 34.83 31.26 1iio s MET 1 CO 0.00 -0.52 1.34 1.57 0.00 0.00 0.00 175.02 177.42 1iio h LYS 2 N 7.59 0.43 -2.86 2.03 2.10 -2.01 -3.50 116.57 120.35 1iio h LYS 2 Ca -0.38 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 57.85 1iio h LYS 2 Cb 1.18 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1iio h LYS 2 CO 0.89 1.07 -0.67 -1.33 -2.00 0.00 0.00 179.45 177.41 1iio n MET 3 N -3.78 -3.63 0.00 0.07 2.81 -1.26 -5.09 117.12 106.24 1iio n MET 3 Ca -0.06 2.62 0.00 0.00 -1.81 0.00 0.00 57.70 58.45 1iio n MET 3 Cb 0.79 -2.89 0.00 0.00 -0.71 0.00 0.00 33.22 30.41 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 0.14 -0.70 0.00 3.03 0.00 -1.26 -4.93 105.19 101.47 1iio n GLY 4 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 0.17 -0.29 1.61 3.14 -1.26 -3.82 118.33 117.88 1iio n VAL 5 Ca 0.00 0.04 0.10 0.00 -2.96 0.00 0.00 64.34 61.52 1iio n VAL 5 Cb 0.00 -0.61 0.24 0.00 -1.06 0.00 0.00 33.84 32.40 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 0.14 0.04 1.45 3.11 -1.99 0.95 116.57 120.27 1iio h LYS 6 Ca 0.00 -0.01 -0.23 0.00 -2.81 0.00 0.00 60.65 57.60 1iio h LYS 6 Cb 0.25 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1iio h LYS 6 CO 0.00 0.09 -1.02 0.93 -2.81 0.00 0.00 179.45 176.64 1iio h GLU 7 N 0.14 0.27 0.18 1.90 4.39 -1.98 -2.54 114.58 116.94 1iio h GLU 7 Ca 0.51 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1iio h GLU 7 Cb 0.98 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1iio h GLU 7 CO -0.70 1.08 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.71 1iio h ASP 8 N 0.12 -0.21 -0.16 1.42 5.19 0.39 0.20 116.42 123.37 1iio h ASP 8 Ca -0.08 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.18 1iio h ASP 8 Cb 1.69 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.25 1iio h ASP 8 CO 0.16 0.01 0.01 0.40 -3.12 0.00 0.00 179.24 176.71 1iio h ILE 9 N -0.43 1.24 -0.44 0.35 2.04 0.17 -1.85 117.51 118.59 1iio h ILE 9 Ca -0.03 -0.78 0.13 0.00 1.00 0.00 0.00 64.86 65.18 1iio h ILE 9 Cb 0.33 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1iio h ILE 9 CO 0.04 0.23 0.34 -0.09 0.00 0.00 0.00 178.15 178.68 1iio h ARG 10 N 0.04 0.00 -0.18 2.37 2.43 -1.42 0.26 114.38 117.88 1iio h ARG 10 Ca 0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1iio h ARG 10 Cb 0.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1iio h ARG 10 CO 0.01 0.00 0.02 0.78 -1.51 0.00 0.00 179.97 179.26 1iio h GLY 11 N 0.00 0.33 2.00 2.80 0.00 0.23 0.79 103.07 109.23 1iio h GLY 11 Ca 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1iio h GLY 11 CO -0.00 0.21 -0.28 1.46 0.00 0.00 0.00 176.54 177.93 1iio h GLN 12 N 0.08 0.00 -0.17 4.80 4.20 -0.38 -2.78 115.11 120.85 1iio h GLN 12 Ca 0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1iio h GLN 12 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1iio h GLN 12 CO 0.01 0.28 -0.23 0.82 -0.67 0.00 0.00 178.83 179.04 1iio h ILE 13 N 0.00 1.34 -0.22 2.54 2.04 -0.07 0.14 117.51 123.28 1iio h ILE 13 Ca -0.00 -1.43 0.04 0.00 1.00 0.00 0.00 64.86 64.47 1iio h ILE 13 Cb 0.56 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1iio h ILE 13 CO 0.04 0.43 -0.02 0.40 0.00 0.00 0.00 178.15 178.99 1iio h ILE 14 N 0.11 0.81 -0.40 -0.67 1.08 -0.62 0.22 117.51 118.05 1iio h ILE 14 Ca 0.02 -0.01 -0.10 0.00 -0.39 0.00 0.00 64.86 64.38 1iio h ILE 14 Cb 0.79 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1iio h ILE 14 CO 0.05 0.01 -0.14 1.23 -0.69 0.00 0.00 178.15 178.61 1iio h GLY 15 N 0.04 0.79 2.00 5.37 0.00 -1.51 -2.02 103.07 107.75 1iio h GLY 15 Ca 0.11 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1iio h GLY 15 CO -0.20 0.56 -0.10 0.00 0.00 0.00 0.00 176.54 176.80 1iio h ALA 16 N 1.18 1.54 0.00 3.60 0.00 0.32 -2.10 119.26 123.81 1iio h ALA 16 Ca 0.11 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1iio h ALA 16 Cb 0.61 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1iio h ALA 16 CO 0.04 0.13 -1.30 -0.07 0.00 0.00 0.00 179.25 178.05 1iio h LEU 17 N 0.00 0.00 -9.55 0.00 3.38 -0.11 -3.19 115.31 105.84 1iio h LEU 17 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1iio h LEU 17 Cb 0.23 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.05 1iio h LEU 17 CO 0.01 0.95 0.67 0.00 0.09 0.00 0.00 178.44 180.16 1iio n ALA 18 N -2.43 1.12 0.00 1.53 0.00 -0.79 -2.62 120.51 117.32 1iio n ALA 18 Ca -0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1iio n ALA 18 Cb 0.97 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 2.62 1.74 2.25 0.00 0.00 -1.26 -4.74 105.19 105.80 1iio n GLY 19 Ca 0.14 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.42 -1.00 4.61 0.00 -1.08 -4.92 120.51 115.70 1iio n ALA 20 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 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 -2.27 0.00 -3.30 0.00 9.92 -1.26 -4.84 116.55 114.80 1iio n ASP 21 Ca 0.06 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.01 1iio n ASP 21 Cb 0.28 0.00 0.29 0.00 -0.64 0.00 0.00 41.12 41.05 1iio n ASP 21 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1iio s PHE 22 N 0.00 -0.94 -0.42 1.24 -0.12 -1.26 -4.62 117.98 111.85 1iio s PHE 22 Ca 0.00 0.52 -0.16 0.00 -0.05 0.00 0.00 56.93 57.25 1iio s PHE 22 Cb 0.00 -2.83 -0.16 0.00 -0.63 0.00 0.00 43.02 39.40 1iio s PHE 22 CO 0.00 -5.20 1.66 -0.35 -0.05 0.00 0.00 175.22 171.28 1iio n PRO 23 N -5.79 0.89 0.00 1.99 -0.04 -1.26 -3.59 135.00 127.21 1iio n PRO 23 Ca 0.14 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1iio n PRO 23 Cb 0.61 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 5.64 0.00 -0.48 0.52 2.08 -1.26 -2.45 119.36 123.40 1iio n ILE 24 Ca 0.36 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.39 1iio n ILE 24 Cb 0.25 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.08 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 1.38 -1.41 4.38 4.13 -1.24 -4.10 115.26 118.41 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 -0.67 -0.06 0.00 -1.54 0.00 0.00 39.78 37.52 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 6.96 -7.10 -0.28 6.41 3.41 -1.04 -2.01 113.62 119.98 1iio n SER 26 Ca 0.32 1.42 0.25 0.00 -0.26 0.00 0.00 58.87 60.60 1iio n SER 26 Cb 0.25 -4.65 0.58 0.00 -0.26 0.00 0.00 64.21 60.13 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 0.27 0.04 4.33 0.11 -1.91 -0.40 132.00 133.55 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 1.10 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 1iio h PRO 27 CO 0.05 0.18 -0.39 0.93 -0.21 0.00 0.00 178.00 178.55 1iio h GLU 28 N 0.27 -0.55 0.15 1.05 5.08 -1.98 0.17 114.58 118.77 1iio h GLU 28 Ca 0.53 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.92 1iio h GLU 28 Cb 1.56 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1iio h GLU 28 CO -0.17 -0.37 -0.07 1.49 -1.00 0.00 0.00 179.01 178.88 1iio h GLU 29 N -0.58 -0.20 -0.97 2.33 4.57 -0.66 -2.03 114.58 117.05 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 0.64 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.16 1iio h GLU 29 CO -0.28 0.05 0.55 1.37 -1.18 0.00 0.00 179.01 179.53 1iio h LEU 30 N -1.01 0.66 -1.13 1.64 8.10 -1.17 1.89 115.31 124.29 1iio h LEU 30 Ca -0.02 0.11 -0.07 0.00 0.11 0.00 0.00 57.88 58.01 1iio h LEU 30 Cb 0.34 0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 1iio h LEU 30 CO 0.03 0.18 -0.18 -0.03 -4.11 0.00 0.00 178.44 174.34 1iio h MET 31 N 0.65 0.40 0.00 0.17 4.05 -0.75 -1.70 114.93 117.74 1iio h MET 31 Ca 0.58 -0.12 -0.08 0.00 -0.28 0.00 0.00 59.70 59.80 1iio h MET 31 Cb 0.97 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 1iio h MET 31 CO -0.42 0.57 -0.37 0.00 0.23 0.00 0.00 176.91 176.91 1iio h ALA 32 N 1.45 1.38 -0.35 0.39 0.00 0.35 -2.99 119.26 119.49 1iio h ALA 32 Ca 0.06 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1iio h ALA 32 Cb 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1iio h ALA 32 CO 0.03 0.46 -0.42 0.00 0.00 0.00 0.00 179.25 179.32 1iio h ALA 33 N 1.63 0.57 -0.58 0.00 0.00 0.44 -3.45 119.26 117.87 1iio h ALA 33 Ca -0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 1iio h ALA 33 Cb 0.66 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 18.40 1iio h ALA 33 CO 0.05 0.68 -0.31 1.28 0.00 0.00 0.00 179.25 180.95 1iio n LEU 34 N -4.04 -0.78 -0.09 0.00 4.32 -1.04 -4.74 117.00 110.63 1iio n LEU 34 Ca -0.03 0.57 -0.06 0.00 -0.02 0.00 0.00 56.01 56.47 1iio n LEU 34 Cb 0.56 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1iio n LEU 34 CO 0.49 -1.66 0.80 1.55 -1.22 0.00 0.00 177.39 177.34 1iio h PRO 35 N 0.47 -0.00 0.00 3.23 0.13 -1.90 -2.85 132.00 131.08 1iio h PRO 35 Ca -0.15 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.89 1iio h PRO 35 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1iio h PRO 35 CO 0.29 -0.00 -0.40 -2.95 -0.23 0.00 0.00 178.00 174.71 1iio h ASN 36 N -0.00 0.00 0.00 1.44 -0.00 -1.97 -3.48 115.58 111.57 1iio h ASN 36 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.46 1iio h ASN 36 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.57 1iio h ASN 36 CO -0.35 0.40 0.00 0.61 -0.00 0.00 0.00 177.43 178.10 1iio n GLY 37 N 0.25 2.54 1.99 9.14 0.00 -1.08 -4.87 105.19 113.15 1iio n GLY 37 Ca -0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 1.89 -2.90 1.61 -0.04 -1.26 -4.76 135.00 129.55 1iio n PRO 38 Ca 0.00 -0.92 -0.01 0.00 -0.04 0.00 0.00 63.50 62.53 1iio n PRO 38 Cb 0.00 -1.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.52 1iio n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1iio n ASP 39 N 2.46 -6.68 -4.73 3.54 5.68 -1.26 -4.93 116.55 110.63 1iio n ASP 39 Ca 0.40 1.04 -0.41 0.00 -0.50 0.00 0.00 54.79 55.31 1iio n ASP 39 Cb 0.87 -3.75 -0.04 0.00 -1.14 0.00 0.00 41.12 37.06 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 -1.19 4.33 -0.22 2.12 -1.32 -1.26 -4.92 115.64 113.18 1iio s THR 40 Ca -0.03 1.95 -0.05 0.00 -1.21 0.00 0.00 61.69 62.35 1iio s THR 40 Cb 0.00 -4.25 -0.02 0.00 -1.51 0.00 0.00 72.50 66.72 1iio s THR 40 CO 0.46 0.31 0.01 0.28 -2.21 0.00 0.00 174.62 173.47 1iio s THR 41 N -0.06 3.92 -0.99 5.08 -1.32 -1.26 -4.70 115.64 116.32 1iio s THR 41 Ca 0.48 -0.31 -0.06 0.00 -1.21 0.00 0.00 61.69 60.58 1iio s THR 41 Cb -0.25 -2.80 -0.06 0.00 -1.51 0.00 0.00 72.50 67.88 1iio s THR 41 CO 0.31 0.40 2.22 0.00 -2.21 0.00 0.00 174.62 175.34 1iio s LYS 43 N 3.22 4.29 -0.91 0.00 -2.85 -1.26 -4.45 119.74 117.78 1iio s LYS 43 Ca 0.43 1.68 -0.13 0.00 -1.00 0.00 0.00 55.97 56.95 1iio s LYS 43 Cb 0.11 -3.67 0.22 0.00 -2.06 0.00 0.00 37.83 32.44 1iio s LYS 43 CO -0.04 -0.59 0.90 -1.12 0.10 0.00 0.00 175.35 174.61 1iio s SER 44 N 1.75 6.89 0.61 0.03 0.01 -0.89 -4.93 113.70 117.17 1iio s SER 44 Ca 0.56 -2.84 0.00 0.00 1.31 0.00 0.00 55.95 54.97 1iio s SER 44 Cb -0.23 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1iio s SER 44 CO 0.18 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1iio n GLY 45 N 3.84 0.98 0.17 3.44 0.00 -1.26 -4.06 105.19 108.30 1iio n GLY 45 Ca 0.18 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 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 0.62 -3.63 1.61 3.32 -2.03 -3.45 116.42 112.86 1iio h ASP 46 Ca 0.00 -0.60 -0.52 0.00 0.02 0.00 0.00 57.03 55.93 1iio h ASP 46 Cb 0.00 -0.18 0.03 0.00 0.22 0.00 0.00 39.33 39.40 1iio h ASP 46 CO 0.00 1.12 0.58 -0.69 -1.72 0.00 0.00 179.24 178.53 1iio s VAL 47 N -3.83 3.24 -0.03 -1.35 1.01 -1.26 -5.05 120.40 113.13 1iio s VAL 47 Ca -0.13 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.03 1iio s VAL 47 Cb 0.06 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1iio s VAL 47 CO 0.82 0.22 -0.17 -1.61 0.00 0.00 0.00 175.10 174.36 1iio s GLU 48 N -0.88 1.60 -0.02 2.72 8.01 -1.26 -2.09 118.70 126.78 1iio s GLU 48 Ca 0.51 -0.62 0.01 0.00 0.01 0.00 0.00 54.97 54.88 1iio s GLU 48 Cb -0.35 -1.46 0.01 0.00 -4.31 0.00 0.00 34.13 28.01 1iio s GLU 48 CO 0.42 0.31 -0.04 -0.51 0.01 0.00 0.00 175.26 175.46 1iio s LEU 49 N -0.19 1.70 0.00 1.80 2.01 -1.26 -4.90 118.68 117.84 1iio s LEU 49 Ca 0.02 -0.09 0.00 0.00 0.01 0.00 0.00 54.13 54.07 1iio s LEU 49 Cb -0.09 -0.29 0.00 0.00 0.01 0.00 0.00 46.19 45.82 1iio s LEU 49 CO 0.01 0.01 0.00 2.29 1.01 0.00 0.00 176.35 179.66 1iio n LYS 50 N 3.42 0.00 -0.00 1.70 2.85 -1.26 -1.59 118.16 123.27 1iio n LYS 50 Ca -0.18 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 56.91 1iio n LYS 50 Cb 0.55 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.80 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 -0.01 0.12 0.58 0.00 -1.91 -1.18 119.26 118.85 1iio h ALA 51 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1iio h ALA 51 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1iio h ALA 51 CO 0.00 0.22 -0.06 1.03 0.00 0.00 0.00 179.25 180.44 1iio h SER 52 N -0.47 -0.14 0.06 0.00 0.87 -1.94 0.77 113.55 112.70 1iio h SER 52 Ca -0.07 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1iio h SER 52 Cb 1.28 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1iio h SER 52 CO 0.09 0.15 -0.03 0.44 -0.53 0.00 0.00 176.83 176.95 1iio h ASP 53 N -0.43 -0.07 0.05 6.23 3.32 -1.97 -3.33 116.42 120.22 1iio h ASP 53 Ca -0.02 -0.50 -0.20 0.00 0.02 0.00 0.00 57.03 56.33 1iio h ASP 53 Cb 0.35 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1iio h ASP 53 CO 0.03 0.50 -1.06 0.00 -1.72 0.00 0.00 179.24 176.99 1iio h ALA 54 N 0.18 0.17 -0.93 3.45 0.00 -1.35 -3.36 119.26 117.42 1iio h ALA 54 Ca -0.01 -1.00 0.27 0.00 0.00 0.00 0.00 54.91 54.17 1iio h ALA 54 Cb 0.57 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1iio h ALA 54 CO 0.01 0.61 0.97 0.78 0.00 0.00 0.00 179.25 181.62 1iio h GLY 55 N -0.52 0.00 -0.93 0.00 0.00 0.12 -1.73 103.07 100.02 1iio h GLY 55 Ca -0.25 0.00 0.40 0.00 0.00 0.00 0.00 47.33 47.48 1iio h GLY 55 CO -0.05 0.00 0.63 0.06 0.00 0.00 0.00 176.54 177.19 1iio h GLN 56 N 0.00 0.09 -0.14 4.80 3.07 -1.66 0.81 115.11 122.08 1iio h GLN 56 Ca 0.44 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 59.11 1iio h GLN 56 Cb 2.37 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 29.90 1iio h GLN 56 CO -0.00 0.06 -0.21 -0.39 0.09 0.00 0.00 178.83 178.38 1iio h VAL 57 N 0.10 1.22 -2.75 1.86 -1.51 -1.62 -3.42 116.25 110.12 1iio h VAL 57 Ca 0.82 -1.00 -0.55 0.00 -1.23 0.00 0.00 66.70 64.74 1iio h VAL 57 Cb 2.21 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 32.71 1iio h VAL 57 CO -0.64 0.31 0.97 -0.76 -1.23 0.00 0.00 177.57 176.22 1iio s LEU 58 N -8.62 4.31 0.61 4.19 1.43 0.28 -4.99 118.68 115.89 1iio s LEU 58 Ca -0.05 2.18 -0.15 0.00 -1.03 0.00 0.00 54.13 55.08 1iio s LEU 58 Cb 0.15 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 1iio s LEU 58 CO 0.74 -0.84 1.05 0.42 0.23 0.00 0.00 176.35 177.96 1iio s THR 59 N 3.21 3.90 0.28 5.49 -4.23 -1.26 -4.91 115.64 118.11 1iio s THR 59 Ca 0.68 0.84 0.01 0.00 -1.18 0.00 0.00 61.69 62.04 1iio s THR 59 Cb -0.33 -3.41 0.26 0.00 1.34 0.00 0.00 72.50 70.37 1iio s THR 59 CO 0.27 -0.59 1.75 0.00 -0.54 0.00 0.00 174.62 175.52 1iio h ALA 60 N 0.22 1.38 -0.00 3.99 0.00 -1.96 0.44 119.26 123.33 1iio h ALA 60 Ca -0.46 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1iio h ALA 60 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1iio h ALA 60 CO 0.57 -0.13 0.09 0.38 0.00 0.00 0.00 179.25 180.16 1iio h ASP 61 N 0.61 0.00 0.00 0.00 3.04 -2.02 -1.52 116.42 116.52 1iio h ASP 61 Ca 0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.29 1iio h ASP 61 Cb 0.78 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.07 1iio h ASP 61 CO -0.40 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 177.27 1iio n ASP 62 N -3.03 0.00 -0.10 4.15 8.00 0.15 -4.21 116.55 121.51 1iio n ASP 62 Ca -0.03 -0.58 -0.03 0.00 0.71 0.00 0.00 54.79 54.87 1iio n ASP 62 Cb 0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.11 -1.75 1.24 3.01 -0.58 -2.82 117.46 115.62 1iio n PHE 63 Ca 0.07 0.31 -0.34 0.00 1.01 0.00 0.00 57.45 58.50 1iio n PHE 63 Cb 0.03 -0.51 -0.06 0.00 -0.01 0.00 0.00 39.48 38.93 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 -3.55 1.63 -2.61 -1.08 -0.04 -1.26 -2.49 135.00 125.61 1iio n PRO 64 Ca 0.00 -2.28 -0.39 0.00 -0.04 0.00 0.00 63.50 60.80 1iio n PRO 64 Cb 0.06 -3.43 -0.05 0.00 -0.04 0.00 0.00 33.50 30.05 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 8.60 3.64 -0.54 0.54 0.08 -1.13 -4.90 117.98 124.27 1iio s PHE 65 Ca 0.64 1.76 -0.24 0.00 0.12 0.00 0.00 56.93 59.21 1iio s PHE 65 Cb 0.05 -3.11 -0.22 0.00 -0.57 0.00 0.00 43.02 39.17 1iio s PHE 65 CO 0.13 -0.17 1.82 1.63 -0.10 0.00 0.00 175.22 178.53 1iio n LYS 66 N 0.91 1.07 -1.41 0.44 4.76 -1.26 -4.77 118.16 117.89 1iio n LYS 66 Ca 0.00 -1.58 0.17 0.00 -2.87 0.00 0.00 58.31 54.03 1iio n LYS 66 Cb 0.47 -2.78 -0.09 0.00 -1.84 0.00 0.00 35.03 30.80 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 7.81 -7.64 -0.02 4.39 7.64 -1.21 -2.62 113.62 121.97 1iio n SER 67 Ca 0.48 1.31 0.24 0.00 1.01 0.00 0.00 58.87 61.91 1iio n SER 67 Cb 0.40 -4.80 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 -1.42 2.43 -0.11 -0.43 0.00 -1.78 -1.49 119.26 116.45 1iio h ALA 68 Ca -0.17 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.74 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 -0.86 0.00 1.05 0.00 0.00 0.00 179.25 179.51 1iio h GLU 69 N 0.00 0.04 -0.03 0.00 4.11 -1.90 0.13 114.58 116.92 1iio h GLU 69 Ca 0.29 -0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.56 1iio h GLU 69 Cb 1.38 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1iio h GLU 69 CO -0.00 0.02 -0.70 1.05 0.07 0.00 0.00 179.01 179.45 1iio h GLU 70 N 0.04 0.18 -0.68 1.06 4.11 -1.03 -2.85 114.58 115.41 1iio h GLU 70 Ca 0.05 -0.15 -0.07 0.00 0.07 0.00 0.00 59.36 59.26 1iio h GLU 70 Cb 0.06 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1iio h GLU 70 CO -0.09 0.81 0.14 0.28 0.07 0.00 0.00 179.01 180.22 1iio h VAL 71 N 0.12 1.26 -0.04 -1.06 2.07 -1.22 0.33 116.25 117.72 1iio h VAL 71 Ca -0.02 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 1iio h VAL 71 Cb 1.25 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1iio h VAL 71 CO 0.11 0.38 0.01 0.00 0.02 0.00 0.00 177.57 178.09 1iio h ALA 72 N 1.10 0.05 -0.42 1.67 0.00 -0.67 -1.15 119.26 119.83 1iio h ALA 72 Ca 0.21 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1iio h ALA 72 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1iio h ALA 72 CO 0.01 -0.36 -0.22 -0.44 0.00 0.00 0.00 179.25 178.24 1iio h ASP 73 N -0.12 0.92 0.10 0.00 3.32 -1.39 -2.66 116.42 116.58 1iio h ASP 73 Ca 0.01 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1iio h ASP 73 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1iio h ASP 73 CO -0.00 1.12 -0.09 0.74 -1.72 0.00 0.00 179.24 179.29 1iio h THR 74 N 0.71 0.79 0.31 0.35 2.02 -0.28 0.14 112.91 116.94 1iio h THR 74 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1iio h THR 74 Cb 0.78 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1iio h THR 74 CO 0.06 0.00 -0.18 0.40 0.37 0.00 0.00 175.52 176.17 1iio h ILE 75 N -0.21 0.62 -0.80 3.11 2.04 -1.24 -1.17 117.51 119.86 1iio h ILE 75 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1iio h ILE 75 Cb 0.20 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1iio h ILE 75 CO -0.02 0.00 0.53 -0.37 0.00 0.00 0.00 178.15 178.29 1iio h VAL 76 N -0.47 1.19 0.33 1.67 -1.51 -1.42 0.71 116.25 116.76 1iio h VAL 76 Ca -0.03 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 65.05 1iio h VAL 76 Cb 0.39 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1iio h VAL 76 CO 0.04 0.20 -0.16 0.78 -1.23 0.00 0.00 177.57 177.20 1iio h ASN 77 N 1.07 -0.37 -0.23 4.19 -0.26 -0.55 1.02 115.58 120.46 1iio h ASN 77 Ca 0.30 -0.04 -0.20 0.00 -0.56 0.00 0.00 56.30 55.80 1iio h ASN 77 Cb -0.11 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1iio h ASN 77 CO -0.07 -0.20 -0.61 0.11 -1.06 0.00 0.00 177.43 175.60 1iio h LYS 78 N -0.51 0.84 0.00 0.81 1.57 -1.10 -3.18 116.57 114.99 1iio h LYS 78 Ca -0.04 -0.57 -0.07 0.00 -1.87 0.00 0.00 60.65 58.09 1iio h LYS 78 Cb 0.39 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1iio h LYS 78 CO 0.07 1.20 -0.35 0.00 -0.57 0.00 0.00 179.45 179.81 1iio h ALA 79 N 0.67 1.42 0.00 3.86 0.00 0.46 -3.47 119.26 122.20 1iio h ALA 79 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1iio h ALA 79 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1iio h ALA 79 CO 0.13 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1iio n GLY 80 N -0.53 1.28 0.00 0.00 0.00 0.15 -5.04 105.19 101.04 1iio n GLY 80 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36