#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 -0.51 1.82 1.61 0.01 -1.26 -5.11 113.70 110.26 1iio s SER -2 Ca 0.00 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1iio s SER -2 Cb 0.00 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.26 1iio s SER -2 CO 0.00 -0.16 0.00 1.57 0.41 0.00 0.00 173.24 175.06 1iio n HIS -1 N 2.72 0.00 -3.49 2.43 -0.00 -1.26 -4.89 115.22 110.72 1iio n HIS -1 Ca -0.14 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.83 1iio n HIS -1 Cb 0.56 0.00 0.08 0.00 -0.12 0.00 0.00 29.99 30.52 1iio n HIS -1 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1iio n MET 1 N 13.65 -7.23 -3.65 1.57 2.81 -1.26 -4.98 117.12 118.03 1iio n MET 1 Ca 0.00 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.70 1iio n MET 1 Cb 0.00 -5.78 -0.06 0.00 -0.71 0.00 0.00 33.22 26.66 1iio n MET 1 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1iio s LYS 2 N -5.89 0.04 -0.30 0.03 2.20 -1.26 -5.18 119.74 109.38 1iio s LYS 2 Ca 0.34 0.06 -0.20 0.00 -0.36 0.00 0.00 55.97 55.81 1iio s LYS 2 Cb -0.15 0.01 0.20 0.00 -1.51 0.00 0.00 37.83 36.38 1iio s LYS 2 CO 0.71 -0.01 1.31 1.41 -0.36 0.00 0.00 175.35 178.41 1iio s MET 3 N 0.56 0.09 0.00 4.03 1.75 -1.26 -5.16 119.30 119.31 1iio s MET 3 Ca -0.01 0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.56 1iio s MET 3 Cb -0.03 0.03 0.00 0.00 2.84 0.00 0.00 34.83 37.66 1iio s MET 3 CO -0.13 -0.01 0.00 0.41 -0.65 0.00 0.00 175.02 174.64 1iio n GLY 4 N 2.51 -0.88 0.00 2.11 0.00 -1.26 -4.95 105.19 102.72 1iio n GLY 4 Ca -0.14 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.24 -0.24 1.61 3.14 -1.26 -3.82 118.33 117.99 1iio n VAL 5 Ca 0.00 0.06 -0.01 0.00 -2.96 0.00 0.00 64.34 61.44 1iio n VAL 5 Cb 0.00 -0.67 0.06 0.00 -1.06 0.00 0.00 33.84 32.17 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 -0.04 0.00 1.45 3.11 -1.99 0.74 116.57 119.84 1iio h LYS 6 Ca 0.00 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.69 1iio h LYS 6 Cb 0.21 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1iio h LYS 6 CO 0.00 -0.03 -0.71 0.93 -2.81 0.00 0.00 179.45 176.84 1iio h GLU 7 N -0.04 0.00 0.17 1.90 5.08 -1.97 -2.64 114.58 117.08 1iio h GLU 7 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1iio h GLU 7 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1iio h GLU 7 CO -0.74 0.71 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.45 1iio h ASP 8 N 0.00 -0.20 -0.45 1.42 3.32 -0.02 0.32 116.42 120.82 1iio h ASP 8 Ca -0.01 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 1iio h ASP 8 Cb 1.43 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 1iio h ASP 8 CO 0.09 0.10 0.06 0.40 -1.72 0.00 0.00 179.24 178.17 1iio h ILE 9 N -0.51 1.25 0.00 0.35 2.04 0.04 -0.78 117.51 119.89 1iio h ILE 9 Ca -0.02 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1iio h ILE 9 Cb 0.39 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1iio h ILE 9 CO 0.04 0.32 -0.00 -0.09 0.00 0.00 0.00 178.15 178.42 1iio h ARG 10 N 0.61 0.00 -0.29 2.37 9.65 -1.42 0.12 114.38 125.41 1iio h ARG 10 Ca 0.13 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.96 1iio h ARG 10 Cb 0.41 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 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 0.03 0.56 1.85 2.80 0.00 0.11 0.27 103.07 108.70 1iio h GLY 11 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1iio h GLY 11 CO 0.00 0.39 -0.15 1.46 0.00 0.00 0.00 176.54 178.23 1iio h GLN 12 N 0.31 0.18 -0.06 4.80 4.20 -0.62 -2.79 115.11 121.12 1iio h GLN 12 Ca 0.08 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1iio h GLN 12 Cb 0.45 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.21 1iio h GLN 12 CO 0.02 0.34 -0.39 0.82 -0.67 0.00 0.00 178.83 178.95 1iio h ILE 13 N 0.17 1.42 0.04 2.54 2.04 -0.57 -1.94 117.51 121.21 1iio h ILE 13 Ca 0.03 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 64.10 1iio h ILE 13 Cb 0.38 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 1iio h ILE 13 CO 0.02 0.53 -0.21 0.40 0.00 0.00 0.00 178.15 178.89 1iio h ILE 14 N -0.11 0.52 -0.43 -0.67 1.08 -0.30 0.29 117.51 117.88 1iio h ILE 14 Ca -0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1iio h ILE 14 Cb 1.06 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1iio h ILE 14 CO 0.08 0.00 0.22 1.23 -0.69 0.00 0.00 178.15 178.99 1iio h GLY 15 N -0.35 0.63 2.00 5.37 0.00 -1.60 -0.38 103.07 108.74 1iio h GLY 15 Ca 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1iio h GLY 15 CO -0.16 0.26 -0.18 0.00 0.00 0.00 0.00 176.54 176.45 1iio h ALA 16 N 1.65 1.37 0.00 3.60 0.00 -0.32 -2.29 119.26 123.28 1iio h ALA 16 Ca 0.15 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1iio h ALA 16 Cb 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1iio h ALA 16 CO -0.02 0.23 -0.97 -0.07 0.00 0.00 0.00 179.25 178.42 1iio h LEU 17 N 0.00 0.00 -9.76 0.00 3.38 0.12 -2.88 115.31 106.18 1iio h LEU 17 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1iio h LEU 17 Cb 0.42 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.25 1iio h LEU 17 CO 0.02 0.95 0.87 0.00 0.09 0.00 0.00 178.44 180.38 1iio n ALA 18 N -2.34 2.45 0.00 1.53 0.00 -0.86 -2.84 120.51 118.45 1iio n ALA 18 Ca -0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1iio n ALA 18 Cb 0.92 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 2.40 1.60 1.23 0.00 0.00 -1.26 -4.68 105.19 104.48 1iio n GLY 19 Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.34 -1.00 4.61 0.00 -1.13 -4.91 120.51 116.73 1iio n ALA 20 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1iio n ALA 20 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.14 0.00 -2.93 0.00 9.92 -1.26 -4.86 116.55 115.28 1iio n ASP 21 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1iio n ASP 21 Cb 0.15 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 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 -2.16 -0.85 1.24 1.16 -1.26 -4.63 117.46 110.96 1iio n PHE 22 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.31 1iio n PHE 22 Cb 0.00 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.85 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 -1.81 2.05 0.00 3.97 -0.04 -1.26 -4.04 135.00 133.87 1iio n PRO 23 Ca 0.00 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1iio n PRO 23 Cb 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 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 4.53 0.00 -0.67 0.52 2.08 -1.26 -2.27 119.36 122.29 1iio n ILE 24 Ca 0.47 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 63.46 1iio n ILE 24 Cb 0.19 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.02 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 2.07 -1.52 4.38 5.03 -1.26 -4.05 115.26 119.92 1iio n ASN 25 Ca 0.00 -2.43 0.11 0.00 0.87 0.00 0.00 54.58 53.12 1iio n ASN 25 Cb 0.00 -0.82 -0.06 0.00 -1.02 0.00 0.00 39.78 37.88 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 6.84 -8.09 -0.30 6.41 3.41 -1.00 -2.11 113.62 118.78 1iio n SER 26 Ca 0.39 1.64 0.27 0.00 -0.26 0.00 0.00 58.87 60.90 1iio n SER 26 Cb 0.28 -5.08 0.60 0.00 -0.26 0.00 0.00 64.21 59.76 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 -0.81 0.23 -0.02 4.33 0.11 -1.91 -0.88 132.00 133.05 1iio h PRO 27 Ca -0.12 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.01 1iio h PRO 27 Cb 1.22 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1iio h PRO 27 CO 0.05 0.15 -0.28 0.93 -0.21 0.00 0.00 178.00 178.64 1iio h GLU 28 N 0.23 -0.40 0.16 1.05 5.08 -1.98 0.18 114.58 118.91 1iio h GLU 28 Ca 0.56 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.94 1iio h GLU 28 Cb 1.72 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.07 1iio h GLU 28 CO -0.17 -0.26 -0.08 1.49 -1.00 0.00 0.00 179.01 178.99 1iio h GLU 29 N -0.41 -0.20 -1.00 2.33 4.57 -0.67 -2.03 114.58 117.16 1iio h GLU 29 Ca 0.07 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.48 1iio h GLU 29 Cb 0.51 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.03 1iio h GLU 29 CO -0.25 0.06 0.61 1.37 -1.18 0.00 0.00 179.01 179.61 1iio h LEU 30 N -1.01 0.73 -1.11 1.64 8.10 -1.27 2.18 115.31 124.56 1iio h LEU 30 Ca -0.02 0.11 -0.08 0.00 0.11 0.00 0.00 57.88 58.00 1iio h LEU 30 Cb 0.36 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1iio h LEU 30 CO 0.04 0.20 -0.25 0.24 -4.11 0.00 0.00 178.44 174.55 1iio h MET 31 N 0.67 0.32 0.00 0.17 2.86 -0.72 -1.53 114.93 116.71 1iio h MET 31 Ca 0.61 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 58.08 1iio h MET 31 Cb 1.06 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1iio h MET 31 CO -0.41 0.55 -0.27 0.00 1.06 0.00 0.00 176.91 177.84 1iio h ALA 32 N 1.46 1.39 -0.11 6.32 0.00 0.42 -3.08 119.26 125.65 1iio h ALA 32 Ca 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1iio h ALA 32 Cb 0.60 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1iio h ALA 32 CO 0.04 0.34 -0.14 0.00 0.00 0.00 0.00 179.25 179.50 1iio h ALA 33 N 1.73 0.17 -0.69 0.00 0.00 0.47 -3.43 119.26 117.51 1iio h ALA 33 Ca -0.00 -0.32 -0.47 0.00 0.00 0.00 0.00 54.91 54.12 1iio h ALA 33 Cb 0.53 -0.03 0.07 0.00 0.00 0.00 0.00 17.79 18.36 1iio h ALA 33 CO 0.04 0.04 -0.34 1.28 0.00 0.00 0.00 179.25 180.27 1iio n LEU 34 N -4.59 -0.81 -0.30 0.00 4.32 -1.05 -4.75 117.00 109.82 1iio n LEU 34 Ca -0.07 0.78 0.13 0.00 -0.02 0.00 0.00 56.01 56.83 1iio n LEU 34 Cb 0.36 -0.65 0.30 0.00 -1.62 0.00 0.00 43.42 41.81 1iio n LEU 34 CO 0.38 -2.01 1.03 1.55 -1.22 0.00 0.00 177.39 177.13 1iio h PRO 35 N 0.77 0.36 0.00 3.23 0.13 -1.90 -0.36 132.00 134.22 1iio h PRO 35 Ca -0.20 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.81 1iio h PRO 35 Cb 0.99 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1iio h PRO 35 CO 0.39 0.24 -0.47 -2.95 -0.23 0.00 0.00 178.00 174.99 1iio h ASN 36 N 0.37 0.00 0.00 1.44 -1.07 -1.94 -3.48 115.58 110.89 1iio h ASN 36 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.93 1iio h ASN 36 Cb 1.07 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 1iio h ASN 36 CO -0.55 0.47 0.00 0.61 0.07 0.00 0.00 177.43 178.03 1iio n GLY 37 N 0.28 1.93 1.98 9.14 0.00 -0.15 -4.84 105.19 113.54 1iio n GLY 37 Ca -0.00 -0.66 -0.12 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 1.96 -2.96 1.61 -0.04 -1.26 -4.19 135.00 130.11 1iio n PRO 38 Ca 0.00 -0.98 -0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1iio n PRO 38 Cb 0.00 -1.95 -0.00 0.00 -0.04 0.00 0.00 33.50 31.50 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 2.42 -6.95 -4.70 3.54 5.68 -1.22 -4.86 116.55 110.46 1iio n ASP 39 Ca 0.41 0.91 -0.44 0.00 -0.50 0.00 0.00 54.79 55.18 1iio n ASP 39 Cb 0.89 -3.32 -0.02 0.00 -1.14 0.00 0.00 41.12 37.53 1iio n ASP 39 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1iio n THR 40 N 1.14 0.81 -2.72 2.12 5.66 -1.26 -4.87 114.28 115.16 1iio n THR 40 Ca -0.02 -0.20 -0.43 0.00 -3.05 0.00 0.00 64.05 60.35 1iio n THR 40 Cb 0.27 -1.69 -0.03 0.00 -1.55 0.00 0.00 70.33 67.34 1iio n THR 40 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1iio s THR 41 N 0.14 4.67 -0.46 1.09 2.01 -1.26 -4.84 115.64 116.99 1iio s THR 41 Ca 0.68 1.77 -0.02 0.00 0.31 0.00 0.00 61.69 64.43 1iio s THR 41 Cb -0.59 -4.29 0.22 0.00 0.01 0.00 0.00 72.50 67.84 1iio s THR 41 CO 0.47 -0.26 2.26 0.00 -0.69 0.00 0.00 174.62 176.39 1iio s LYS 43 N -2.28 4.39 -0.07 0.00 -2.85 -1.26 -4.43 119.74 113.25 1iio s LYS 43 Ca 0.47 1.59 -0.01 0.00 -1.00 0.00 0.00 55.97 57.03 1iio s LYS 43 Cb 0.34 -2.81 0.03 0.00 -2.06 0.00 0.00 37.83 33.33 1iio s LYS 43 CO -0.10 0.04 -0.03 -1.12 0.10 0.00 0.00 175.35 174.24 1iio s SER 44 N -1.32 1.58 1.39 0.03 0.01 -0.34 -4.97 113.70 110.08 1iio s SER 44 Ca 0.52 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1iio s SER 44 Cb -0.25 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.44 1iio s SER 44 CO 0.32 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1iio n GLY 45 N 4.84 2.32 0.12 3.44 0.00 -1.26 -2.72 105.19 111.92 1iio n GLY 45 Ca -0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 1iio n GLY 45 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1iio h ASP 46 N 2.36 0.00 -3.45 1.61 1.82 -2.05 -3.45 116.42 113.27 1iio h ASP 46 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.10 1iio h ASP 46 Cb 0.00 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 1iio h ASP 46 CO 0.00 0.66 0.13 -0.69 -1.61 0.00 0.00 179.24 177.74 1iio s VAL 47 N -2.94 4.53 -0.04 2.25 1.01 -1.10 -5.08 120.40 119.04 1iio s VAL 47 Ca 0.03 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.64 1iio s VAL 47 Cb 0.09 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 1iio s VAL 47 CO 0.77 0.49 -0.16 -1.61 0.00 0.00 0.00 175.10 174.58 1iio s GLU 48 N -0.84 1.69 -0.01 2.72 8.01 -1.26 -1.20 118.70 127.81 1iio s GLU 48 Ca 0.35 -0.57 -0.01 0.00 0.01 0.00 0.00 54.97 54.75 1iio s GLU 48 Cb -0.22 -1.48 0.00 0.00 -4.31 0.00 0.00 34.13 28.13 1iio s GLU 48 CO 0.24 0.22 0.04 -0.51 0.01 0.00 0.00 175.26 175.26 1iio s LEU 49 N 0.08 1.87 -0.27 1.80 2.01 -1.26 -4.93 118.68 117.97 1iio s LEU 49 Ca -0.04 0.04 -0.31 0.00 0.01 0.00 0.00 54.13 53.82 1iio s LEU 49 Cb -0.11 0.14 0.18 0.00 0.01 0.00 0.00 46.19 46.41 1iio s LEU 49 CO 0.02 -0.04 1.33 -1.59 1.01 0.00 0.00 176.35 177.09 1iio s LYS 50 N -0.10 0.10 0.53 1.70 -2.85 -1.26 -1.97 119.74 115.89 1iio s LYS 50 Ca -0.01 0.01 0.36 0.00 -1.00 0.00 0.00 55.97 55.32 1iio s LYS 50 Cb -0.01 0.05 1.52 0.00 -2.06 0.00 0.00 37.83 37.33 1iio s LYS 50 CO 0.00 -0.03 1.78 0.00 0.10 0.00 0.00 175.35 177.20 1iio h ALA 51 N 2.07 3.08 0.31 0.59 0.00 -1.91 0.26 119.26 123.66 1iio h ALA 51 Ca -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1iio h ALA 51 Cb 1.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1iio h ALA 51 CO 0.22 -1.45 -0.15 1.03 0.00 0.00 0.00 179.25 178.90 1iio h SER 52 N 0.04 -0.36 0.07 0.00 0.87 -1.94 0.13 113.55 112.36 1iio h SER 52 Ca 0.60 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1iio h SER 52 Cb 2.30 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 64.35 1iio h SER 52 CO -0.04 0.08 -0.04 0.44 -0.53 0.00 0.00 176.83 176.74 1iio h ASP 53 N -0.90 -0.08 0.09 6.23 3.32 -1.65 -3.32 116.42 120.10 1iio h ASP 53 Ca -0.04 -0.50 -0.22 0.00 0.02 0.00 0.00 57.03 56.29 1iio h ASP 53 Cb 0.52 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1iio h ASP 53 CO 0.07 0.50 -1.11 0.00 -1.72 0.00 0.00 179.24 176.99 1iio h ALA 54 N 0.09 0.12 -1.27 3.45 0.00 -0.70 -3.35 119.26 117.60 1iio h ALA 54 Ca -0.01 -0.96 0.37 0.00 0.00 0.00 0.00 54.91 54.30 1iio h ALA 54 Cb 0.58 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1iio h ALA 54 CO 0.02 0.63 1.02 0.78 0.00 0.00 0.00 179.25 181.70 1iio h GLY 55 N -0.29 0.00 -1.15 0.00 0.00 -0.61 0.01 103.07 101.03 1iio h GLY 55 Ca -0.24 0.00 0.45 0.00 0.00 0.00 0.00 47.33 47.54 1iio h GLY 55 CO 0.03 0.00 1.06 0.06 0.00 0.00 0.00 176.54 177.69 1iio h GLN 56 N 0.00 0.04 -1.08 4.80 3.07 -1.65 0.26 115.11 120.55 1iio h GLN 56 Ca 0.60 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.34 1iio h GLN 56 Cb 2.64 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 30.19 1iio h GLN 56 CO -0.01 0.03 0.00 1.33 0.09 0.00 0.00 178.83 180.27 1iio n VAL 57 N -4.23 0.67 -3.78 1.86 0.24 -0.01 -4.60 118.33 108.47 1iio n VAL 57 Ca 0.36 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.37 1iio n VAL 57 Cb 1.57 -0.82 -0.16 0.00 -1.47 0.00 0.00 33.84 32.96 1iio n VAL 57 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1iio s LEU 58 N 0.00 1.64 0.72 1.34 1.43 0.91 -5.07 118.68 119.64 1iio s LEU 58 Ca 0.00 -1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 51.93 1iio s LEU 58 Cb 0.00 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.49 1iio s LEU 58 CO 0.00 -0.31 1.14 0.42 0.23 0.00 0.00 176.35 177.83 1iio s THR 59 N 1.72 2.90 0.38 5.49 -4.23 -1.26 -4.85 115.64 115.79 1iio s THR 59 Ca -0.00 0.39 0.17 0.00 -1.18 0.00 0.00 61.69 61.07 1iio s THR 59 Cb -0.17 -2.88 0.37 0.00 1.34 0.00 0.00 72.50 71.16 1iio s THR 59 CO -0.10 -0.28 1.73 0.00 -0.54 0.00 0.00 174.62 175.42 1iio h ALA 60 N -0.40 2.14 -0.47 3.99 0.00 -2.00 0.72 119.26 123.24 1iio h ALA 60 Ca -0.46 0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.68 1iio h ALA 60 Cb 1.26 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1iio h ALA 60 CO 0.51 -0.61 0.47 -0.44 0.00 0.00 0.00 179.25 179.18 1iio h ASP 61 N 0.40 0.00 0.00 0.00 5.19 -2.04 0.33 116.42 120.31 1iio h ASP 61 Ca 0.65 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.06 1iio h ASP 61 Cb 1.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.08 1iio h ASP 61 CO -0.39 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.20 1iio n ASP 62 N -3.80 0.00 -0.30 6.45 9.92 0.25 -4.22 116.55 124.85 1iio n ASP 62 Ca 0.09 -0.87 -0.09 0.00 -0.53 0.00 0.00 54.79 53.38 1iio n ASP 62 Cb 0.67 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.06 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 -1.51 -0.23 1.24 -1.00 -0.49 -2.91 116.94 112.04 1iio h PHE 63 Ca 0.00 0.10 -0.57 0.00 2.81 0.00 0.00 57.97 60.30 1iio h PHE 63 Cb 0.00 0.75 -0.00 0.00 3.61 0.00 0.00 35.95 40.31 1iio h PHE 63 CO 0.00 -0.32 2.06 -0.35 -1.61 0.00 0.00 178.31 178.09 1iio n PRO 64 N -4.83 1.91 -2.60 1.51 -0.04 -1.26 -2.38 135.00 127.30 1iio n PRO 64 Ca 0.01 -2.29 -0.39 0.00 -0.04 0.00 0.00 63.50 60.79 1iio n PRO 64 Cb 0.22 -3.26 -0.05 0.00 -0.04 0.00 0.00 33.50 30.37 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 6.38 3.65 -0.58 0.54 0.08 -1.10 -4.90 117.98 122.06 1iio s PHE 65 Ca 0.59 1.76 -0.22 0.00 0.12 0.00 0.00 56.93 59.18 1iio s PHE 65 Cb 0.09 -3.13 -0.20 0.00 -0.57 0.00 0.00 43.02 39.21 1iio s PHE 65 CO 0.09 -0.19 1.83 1.17 -0.10 0.00 0.00 175.22 178.03 1iio n LYS 66 N 0.98 1.14 -1.46 0.44 4.81 -1.26 -4.77 118.16 118.04 1iio n LYS 66 Ca 0.00 -1.58 0.18 0.00 -0.87 0.00 0.00 58.31 56.04 1iio n LYS 66 Cb 0.47 -2.76 -0.09 0.00 0.02 0.00 0.00 35.03 32.66 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 7.55 -7.94 -0.14 3.14 7.64 -1.18 -2.52 113.62 120.17 1iio n SER 67 Ca 0.47 1.41 0.27 0.00 1.01 0.00 0.00 58.87 62.03 1iio n SER 67 Cb 0.38 -4.98 0.72 0.00 -1.01 0.00 0.00 64.21 59.32 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 2.77 -0.44 -0.43 0.00 -1.76 -1.01 119.26 116.94 1iio h ALA 68 Ca -0.19 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1iio h ALA 68 Cb 1.38 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1iio h ALA 68 CO 0.07 -1.02 0.25 1.05 0.00 0.00 0.00 179.25 179.60 1iio h GLU 69 N 0.00 0.49 -0.07 0.00 4.11 -1.90 0.88 114.58 118.10 1iio h GLU 69 Ca 0.39 -0.03 -0.19 0.00 0.07 0.00 0.00 59.36 59.60 1iio h GLU 69 Cb 1.59 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 1iio h GLU 69 CO -0.00 0.33 -0.77 1.05 0.07 0.00 0.00 179.01 179.68 1iio h GLU 70 N 0.51 0.43 -0.76 1.06 4.11 -0.89 -2.84 114.58 116.19 1iio h GLU 70 Ca 0.18 -0.37 -0.04 0.00 0.07 0.00 0.00 59.36 59.20 1iio h GLU 70 Cb 0.03 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1iio h GLU 70 CO -0.09 1.02 0.33 0.28 0.07 0.00 0.00 179.01 180.61 1iio h VAL 71 N 0.28 1.25 0.53 -1.06 2.07 -1.20 0.29 116.25 118.41 1iio h VAL 71 Ca -0.04 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1iio h VAL 71 Cb 1.37 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1iio h VAL 71 CO 0.13 0.31 -0.25 0.00 0.02 0.00 0.00 177.57 177.78 1iio h ALA 72 N 1.17 -0.71 -0.46 1.67 0.00 -0.80 -1.94 119.26 118.19 1iio h ALA 72 Ca 0.26 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1iio h ALA 72 Cb 0.17 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1iio h ALA 72 CO -0.03 -0.86 0.14 -0.44 0.00 0.00 0.00 179.25 178.07 1iio h ASP 73 N -0.80 0.67 -0.52 0.00 5.19 -1.42 -2.76 116.42 116.78 1iio h ASP 73 Ca -0.07 -0.21 0.09 0.00 -0.62 0.00 0.00 57.03 56.21 1iio h ASP 73 Cb 0.58 -0.18 -0.07 0.00 0.18 0.00 0.00 39.33 39.85 1iio h ASP 73 CO 0.12 0.70 0.14 0.74 -3.12 0.00 0.00 179.24 177.82 1iio h THR 74 N 0.60 0.74 -0.00 0.35 2.02 -0.41 -1.19 112.91 115.03 1iio h THR 74 Ca 0.15 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1iio h THR 74 Cb 0.28 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1iio h THR 74 CO -0.00 0.05 0.00 0.40 0.37 0.00 0.00 175.52 176.34 1iio h ILE 75 N 0.29 1.19 -0.90 3.11 2.04 -1.27 -2.34 117.51 119.62 1iio h ILE 75 Ca 0.26 -0.56 0.10 0.00 1.00 0.00 0.00 64.86 65.66 1iio h ILE 75 Cb 0.34 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 1iio h ILE 75 CO -0.31 0.15 0.58 -0.37 0.00 0.00 0.00 178.15 178.20 1iio h VAL 76 N -0.23 0.96 0.24 1.67 -1.51 -1.20 0.87 116.25 117.04 1iio h VAL 76 Ca 0.00 -0.30 -0.01 0.00 -1.23 0.00 0.00 66.70 65.15 1iio h VAL 76 Cb 0.24 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.39 1iio h VAL 76 CO 0.00 0.16 -0.11 0.78 -1.23 0.00 0.00 177.57 177.17 1iio h ASN 77 N 0.89 -0.27 -0.17 4.19 2.35 -1.07 0.92 115.58 122.42 1iio h ASN 77 Ca 0.42 -0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 55.89 1iio h ASN 77 Cb 0.43 0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.88 1iio h ASN 77 CO -0.19 -0.05 -0.58 0.11 -1.65 0.00 0.00 177.43 175.07 1iio h LYS 78 N -0.48 0.69 0.00 0.81 1.57 -0.97 -3.24 116.57 114.95 1iio h LYS 78 Ca -0.03 -0.51 -0.08 0.00 -1.87 0.00 0.00 60.65 58.16 1iio h LYS 78 Cb 0.36 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1iio h LYS 78 CO 0.05 1.13 -0.36 0.00 -0.57 0.00 0.00 179.45 179.71 1iio h ALA 79 N 0.56 1.39 0.00 3.86 0.00 0.72 -3.47 119.26 122.32 1iio h ALA 79 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1iio h ALA 79 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1iio h ALA 79 CO 0.12 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1iio n GLY 80 N -0.48 1.71 0.00 0.00 0.00 -0.24 -5.05 105.19 101.13 1iio n GLY 80 Ca -0.02 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36