#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 0.31 1.61 0.15 -1.26 -4.94 113.70 115.98 1iio s SER -2 Ca 0.00 2.86 -0.29 0.00 0.70 0.00 0.00 55.95 59.22 1iio s SER -2 Cb 0.00 -2.61 -0.10 0.00 -1.71 0.00 0.00 66.02 61.60 1iio s SER -2 CO 0.00 -0.93 1.31 -1.00 1.20 0.00 0.00 173.24 173.82 1iio s HIS -1 N 0.80 3.10 -1.08 3.44 0.09 -1.26 -3.23 115.29 117.16 1iio s HIS -1 Ca 0.71 1.37 -0.03 0.00 -0.00 0.00 0.00 55.06 57.10 1iio s HIS -1 Cb -0.48 -3.66 0.00 0.00 -0.00 0.00 0.00 32.58 28.44 1iio s HIS -1 CO 0.37 -1.87 0.92 -1.33 -0.00 0.00 0.00 174.74 172.83 1iio n MET 1 N 1.17 -6.14 0.35 1.40 0.00 -1.26 -4.96 117.12 107.69 1iio n MET 1 Ca 0.01 0.71 -0.14 0.00 0.00 0.00 0.00 57.70 58.29 1iio n MET 1 Cb 0.42 -5.37 -0.06 0.00 0.00 0.00 0.00 33.22 28.21 1iio n MET 1 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1iio h LYS 2 N -1.92 -0.85 -4.03 0.03 3.64 -1.95 -3.49 116.57 107.99 1iio h LYS 2 Ca -0.49 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1iio h LYS 2 Cb 1.30 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1iio h LYS 2 CO 0.45 -0.57 -0.87 -1.33 -2.27 0.00 0.00 179.45 174.85 1iio n MET 3 N -4.48 -4.65 0.00 1.90 2.81 -1.26 -5.06 117.12 106.37 1iio n MET 3 Ca -0.11 3.39 0.00 0.00 -1.81 0.00 0.00 57.70 59.17 1iio n MET 3 Cb 0.35 -3.82 0.00 0.00 -0.71 0.00 0.00 33.22 29.04 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 0.12 -0.50 0.00 3.03 0.00 -1.26 -4.91 105.19 101.67 1iio n GLY 4 Ca 0.00 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 4.11 0.15 -0.24 1.61 3.14 -1.26 -3.89 118.33 121.95 1iio n VAL 5 Ca 0.00 0.04 -0.01 0.00 -2.96 0.00 0.00 64.34 61.40 1iio n VAL 5 Cb 0.00 -0.60 0.05 0.00 -1.06 0.00 0.00 33.84 32.23 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 -0.06 0.00 1.45 3.11 -1.99 0.79 116.57 119.88 1iio h LYS 6 Ca 0.00 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.73 1iio h LYS 6 Cb 0.24 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 1iio h LYS 6 CO 0.00 -0.04 -0.53 1.49 -2.81 0.00 0.00 179.45 177.56 1iio h GLU 7 N -0.06 0.00 0.16 1.90 4.81 -1.97 -2.63 114.58 116.79 1iio h GLU 7 Ca 0.31 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1iio h GLU 7 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1iio h GLU 7 CO -0.73 0.53 -0.08 -0.44 -0.73 0.00 0.00 179.01 177.56 1iio h ASP 8 N 0.00 -0.18 -0.45 1.04 3.32 0.12 0.40 116.42 120.67 1iio h ASP 8 Ca -0.01 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1iio h ASP 8 Cb 1.30 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1iio h ASP 8 CO 0.07 0.21 0.04 0.40 -1.72 0.00 0.00 179.24 178.24 1iio h ILE 9 N -0.61 1.25 -0.05 0.35 2.04 -0.00 -0.56 117.51 119.94 1iio h ILE 9 Ca -0.02 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1iio h ILE 9 Cb 0.46 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1iio h ILE 9 CO 0.04 0.34 0.04 -0.09 0.00 0.00 0.00 178.15 178.48 1iio h ARG 10 N 0.63 0.00 -0.61 2.37 9.65 -1.46 0.12 114.38 125.08 1iio h ARG 10 Ca 0.13 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 1iio h ARG 10 Cb 0.44 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 1iio h ARG 10 CO 0.02 0.00 0.33 0.78 2.80 0.00 0.00 179.97 183.90 1iio h GLY 11 N 0.00 0.91 2.00 2.80 0.00 0.14 0.29 103.07 109.21 1iio h GLY 11 Ca 0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1iio h GLY 11 CO -0.00 0.40 -0.19 -1.61 0.00 0.00 0.00 176.54 175.13 1iio h GLN 12 N 0.82 0.00 -0.04 4.80 4.15 -0.36 -2.76 115.11 121.72 1iio h GLN 12 Ca 0.21 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.53 1iio h GLN 12 Cb 0.05 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.74 1iio h GLN 12 CO -0.03 0.19 -0.36 0.82 -1.93 0.00 0.00 178.83 177.52 1iio h ILE 13 N 0.00 1.45 -0.15 2.39 2.04 0.05 -1.60 117.51 121.69 1iio h ILE 13 Ca -0.00 -1.85 0.03 0.00 1.00 0.00 0.00 64.86 64.05 1iio h ILE 13 Cb 0.37 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1iio h ILE 13 CO 0.03 0.53 -0.06 0.40 0.00 0.00 0.00 178.15 179.04 1iio h ILE 14 N -0.22 0.80 -0.46 -0.67 1.08 -0.31 0.27 117.51 117.99 1iio h ILE 14 Ca -0.03 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.38 1iio h ILE 14 Cb 1.05 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 1iio h ILE 14 CO 0.07 0.00 0.04 1.23 -0.69 0.00 0.00 178.15 178.80 1iio h GLY 15 N -0.03 0.79 2.00 5.37 0.00 -1.59 -1.66 103.07 107.95 1iio h GLY 15 Ca 0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1iio h GLY 15 CO -0.18 0.46 -0.18 0.00 0.00 0.00 0.00 176.54 176.63 1iio h ALA 16 N 1.35 1.42 0.00 3.60 0.00 -0.23 -2.29 119.26 123.10 1iio h ALA 16 Ca 0.14 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1iio h ALA 16 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1iio h ALA 16 CO 0.01 0.23 -0.96 -0.07 0.00 0.00 0.00 179.25 178.46 1iio h LEU 17 N 0.00 0.00 -5.98 0.00 3.38 0.28 -2.97 115.31 110.02 1iio h LEU 17 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1iio h LEU 17 Cb 0.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.17 1iio h LEU 17 CO 0.02 0.62 1.56 0.00 0.09 0.00 0.00 178.44 180.74 1iio n ALA 18 N -2.32 2.14 0.00 1.53 0.00 -0.70 -2.86 120.51 118.30 1iio n ALA 18 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1iio n ALA 18 Cb 0.82 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 4.07 0.00 2.37 0.00 0.00 -1.26 -5.05 105.19 105.32 1iio n GLY 19 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 0.62 0.06 4.61 0.00 -1.14 -4.38 120.51 120.28 1iio n ALA 20 Ca 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 53.44 52.05 1iio n ALA 20 Cb 0.00 0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1iio n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1iio h ASP 21 N 0.27 -0.46 -4.11 0.00 5.19 -1.93 -3.45 116.42 111.93 1iio h ASP 21 Ca -0.20 0.04 -0.29 0.00 -0.62 0.00 0.00 57.03 55.97 1iio h ASP 21 Cb 0.78 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.41 1iio h ASP 21 CO 0.30 -0.19 -0.19 2.22 -3.12 0.00 0.00 179.24 178.27 1iio n PHE 22 N -3.32 0.03 -0.57 4.55 1.16 -1.26 -4.97 117.46 113.08 1iio n PHE 22 Ca -0.03 -1.10 -0.16 0.00 -1.87 0.00 0.00 57.45 54.29 1iio n PHE 22 Cb 0.13 -0.17 -0.02 0.00 -1.61 0.00 0.00 39.48 37.82 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 -0.73 1.57 0.00 3.97 -0.04 -1.26 -3.75 135.00 134.76 1iio n PRO 23 Ca -0.07 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1iio n PRO 23 Cb 0.29 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 4.23 0.00 -0.48 0.52 2.08 -1.26 -1.93 119.36 122.50 1iio n ILE 24 Ca 0.34 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.40 1iio n ILE 24 Cb 0.13 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 38.97 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 1.72 -1.57 4.38 4.13 -1.25 -4.06 115.26 118.62 1iio n ASN 25 Ca 0.00 -2.32 0.01 0.00 1.68 0.00 0.00 54.58 53.95 1iio n ASN 25 Cb 0.00 -0.73 -0.01 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 6.34 -8.10 -0.38 6.41 3.41 -1.02 -1.98 113.62 118.30 1iio n SER 26 Ca 0.30 1.78 0.35 0.00 -0.26 0.00 0.00 58.87 61.05 1iio n SER 26 Cb 0.21 -5.01 0.71 0.00 -0.26 0.00 0.00 64.21 59.86 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 0.04 0.08 0.39 4.33 0.11 -1.92 0.20 132.00 135.22 1iio h PRO 27 Ca -0.01 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1iio h PRO 27 Cb 0.96 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1iio h PRO 27 CO 0.01 0.05 -0.41 0.93 -0.21 0.00 0.00 178.00 178.37 1iio h GLU 28 N 0.08 -0.79 0.20 1.05 4.39 -1.98 0.13 114.58 117.66 1iio h GLU 28 Ca 0.64 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.38 1iio h GLU 28 Cb 2.34 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 31.17 1iio h GLU 28 CO -0.10 -0.53 -0.10 1.49 -1.16 0.00 0.00 179.01 178.62 1iio h GLU 29 N -0.82 -0.26 -1.00 2.33 4.57 -0.45 -2.63 114.58 116.31 1iio h GLU 29 Ca -0.03 0.02 0.24 0.00 -1.18 0.00 0.00 59.36 58.41 1iio h GLU 29 Cb 0.73 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.29 1iio h GLU 29 CO -0.08 0.04 0.65 1.37 -1.18 0.00 0.00 179.01 179.80 1iio h LEU 30 N -0.99 0.48 -0.96 1.64 8.10 -1.08 2.29 115.31 124.79 1iio h LEU 30 Ca -0.03 0.08 -0.06 0.00 0.11 0.00 0.00 57.88 57.98 1iio h LEU 30 Cb 0.42 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.61 1iio h LEU 30 CO 0.05 0.13 0.13 0.24 -4.11 0.00 0.00 178.44 174.87 1iio h MET 31 N 0.45 0.89 0.00 0.17 2.86 -0.78 0.24 114.93 118.76 1iio h MET 31 Ca 0.56 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.97 1iio h MET 31 Cb 1.35 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1iio h MET 31 CO -0.28 0.80 -0.18 0.00 1.06 0.00 0.00 176.91 178.31 1iio h ALA 32 N 1.29 1.16 0.07 6.32 0.00 0.39 -0.88 119.26 127.61 1iio h ALA 32 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iio h ALA 32 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1iio h ALA 32 CO 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 179.25 179.44 1iio h ALA 33 N 1.82 -0.09 -1.31 0.00 0.00 0.19 -3.41 119.26 116.46 1iio h ALA 33 Ca -0.00 -0.11 -0.66 0.00 0.00 0.00 0.00 54.91 54.14 1iio h ALA 33 Cb 0.54 0.04 0.11 0.00 0.00 0.00 0.00 17.79 18.47 1iio h ALA 33 CO 0.02 -0.45 -0.27 1.28 0.00 0.00 0.00 179.25 179.83 1iio n LEU 34 N -5.04 -0.18 -0.33 0.00 4.32 -1.01 -4.66 117.00 110.09 1iio n LEU 34 Ca -0.08 1.15 0.31 0.00 -0.02 0.00 0.00 56.01 57.37 1iio n LEU 34 Cb 0.14 -1.06 0.66 0.00 -1.62 0.00 0.00 43.42 41.54 1iio n LEU 34 CO 0.33 -2.40 1.28 1.55 -1.22 0.00 0.00 177.39 176.94 1iio h PRO 35 N 1.51 0.14 0.00 3.23 0.13 -1.88 0.33 132.00 135.46 1iio h PRO 35 Ca -0.33 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1iio h PRO 35 Cb 1.41 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1iio h PRO 35 CO 0.59 0.10 -0.33 -0.97 -0.23 0.00 0.00 178.00 177.15 1iio h ASN 36 N 0.15 0.00 0.00 1.44 -1.24 -1.92 -3.49 115.58 110.52 1iio h ASN 36 Ca 0.60 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.61 1iio h ASN 36 Cb 2.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.08 1iio h ASN 36 CO -0.14 0.33 0.00 0.61 -1.29 0.00 0.00 177.43 176.94 1iio n GLY 37 N 0.23 2.08 1.46 1.57 0.00 0.11 -4.75 105.19 105.89 1iio n GLY 37 Ca -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.32 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 1.24 -2.29 1.61 -0.04 -1.26 -3.21 135.00 131.06 1iio n PRO 38 Ca 0.00 -0.51 -0.04 0.00 -0.04 0.00 0.00 63.50 62.91 1iio n PRO 38 Cb 0.00 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.22 1iio n PRO 38 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1iio n ASP 39 N 0.75 -0.79 -4.77 3.54 2.03 -0.34 -4.91 116.55 112.06 1iio n ASP 39 Ca 0.10 0.98 -0.40 0.00 0.52 0.00 0.00 54.79 55.99 1iio n ASP 39 Cb 0.59 -4.10 -0.01 0.00 -0.72 0.00 0.00 41.12 36.89 1iio n ASP 39 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1iio s THR 40 N -0.49 2.52 -0.35 5.18 -1.32 -1.26 -4.89 115.64 115.03 1iio s THR 40 Ca -0.21 0.50 -0.27 0.00 -1.21 0.00 0.00 61.69 60.50 1iio s THR 40 Cb 0.01 -3.30 0.01 0.00 -1.51 0.00 0.00 72.50 67.72 1iio s THR 40 CO 0.58 0.09 0.97 -0.89 -2.21 0.00 0.00 174.62 173.17 1iio s THR 41 N -1.20 4.56 -0.44 5.08 2.01 -1.26 -4.82 115.64 119.56 1iio s THR 41 Ca 0.54 1.38 -0.04 0.00 0.31 0.00 0.00 61.69 63.87 1iio s THR 41 Cb -0.40 -4.36 0.02 0.00 0.01 0.00 0.00 72.50 67.77 1iio s THR 41 CO 0.53 -0.51 2.87 0.00 -0.69 0.00 0.00 174.62 176.81 1iio s LYS 43 N -1.31 4.04 -0.04 0.00 -2.85 -1.26 -4.37 119.74 113.96 1iio s LYS 43 Ca 0.60 1.44 0.00 0.00 -1.00 0.00 0.00 55.97 57.01 1iio s LYS 43 Cb 0.36 -2.36 0.03 0.00 -2.06 0.00 0.00 37.83 33.80 1iio s LYS 43 CO -0.19 -0.24 0.00 -1.12 0.10 0.00 0.00 175.35 173.91 1iio s SER 44 N -1.74 0.63 0.00 0.03 0.01 -0.08 -4.93 113.70 107.62 1iio s SER 44 Ca 0.61 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1iio s SER 44 Cb -0.19 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1iio s SER 44 CO 0.24 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1iio n GLY 45 N 4.35 0.65 0.43 3.44 0.00 -1.26 -2.64 105.19 110.17 1iio n GLY 45 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1iio n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iio n ASP 46 N 1.65 0.00 -4.74 1.61 8.00 -1.26 -5.12 116.55 116.69 1iio n ASP 46 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1iio n ASP 46 Cb 0.00 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1iio n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1iio s VAL 47 N -1.22 2.80 -0.07 2.53 1.01 -1.08 -5.02 120.40 119.35 1iio s VAL 47 Ca 0.00 0.67 0.05 0.00 0.00 0.00 0.00 61.98 62.70 1iio s VAL 47 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1iio s VAL 47 CO 0.00 0.10 -0.23 -1.61 0.00 0.00 0.00 175.10 173.36 1iio s GLU 48 N -0.23 2.72 -0.01 2.72 2.02 -1.26 -0.91 118.70 123.76 1iio s GLU 48 Ca 0.59 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.73 1iio s GLU 48 Cb -0.40 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1iio s GLU 48 CO 0.41 0.34 -0.05 -0.51 0.02 0.00 0.00 175.26 175.47 1iio s LEU 49 N -0.06 1.82 -0.22 1.80 2.01 -1.26 -4.94 118.68 117.83 1iio s LEU 49 Ca -0.06 -0.11 -0.33 0.00 0.01 0.00 0.00 54.13 53.64 1iio s LEU 49 Cb -0.15 -0.34 0.16 0.00 0.01 0.00 0.00 46.19 45.87 1iio s LEU 49 CO 0.05 0.04 1.24 -1.59 1.01 0.00 0.00 176.35 177.10 1iio s LYS 50 N 0.14 0.24 0.34 1.70 -2.85 -1.26 -1.92 119.74 116.13 1iio s LYS 50 Ca -0.01 -0.03 0.12 0.00 -1.00 0.00 0.00 55.97 55.05 1iio s LYS 50 Cb -0.06 0.11 0.97 0.00 -2.06 0.00 0.00 37.83 36.80 1iio s LYS 50 CO -0.00 -0.09 1.72 0.00 0.10 0.00 0.00 175.35 177.07 1iio h ALA 51 N 2.09 1.91 -0.01 0.59 0.00 -1.90 0.28 119.26 122.22 1iio h ALA 51 Ca -0.09 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iio h ALA 51 Cb 1.17 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1iio h ALA 51 CO 0.23 -0.41 0.00 1.03 0.00 0.00 0.00 179.25 180.11 1iio h SER 52 N 0.49 0.02 0.15 0.00 0.87 -1.90 0.75 113.55 113.93 1iio h SER 52 Ca 0.66 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 61.04 1iio h SER 52 Cb 1.39 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1iio h SER 52 CO -0.48 0.19 -0.07 0.44 -0.53 0.00 0.00 176.83 176.38 1iio h ASP 53 N -0.16 -0.18 0.04 6.23 3.32 -1.56 -3.34 116.42 120.78 1iio h ASP 53 Ca 0.00 -0.37 -0.32 0.00 0.02 0.00 0.00 57.03 56.37 1iio h ASP 53 Cb 0.18 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1iio h ASP 53 CO -0.00 0.37 -1.75 0.00 -1.72 0.00 0.00 179.24 176.14 1iio n ALA 54 N -2.54 0.92 -0.44 3.45 0.00 0.83 -4.28 120.51 118.45 1iio n ALA 54 Ca -0.08 -0.65 0.41 0.00 0.00 0.00 0.00 53.44 53.12 1iio n ALA 54 Cb 0.27 -0.46 0.76 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.20 0.00 -0.93 0.00 0.00 0.57 0.57 103.07 103.08 1iio h GLY 55 Ca -0.44 0.00 0.42 0.00 0.00 0.00 0.00 47.33 47.31 1iio h GLY 55 CO -0.15 0.00 1.05 0.06 0.00 0.00 0.00 176.54 177.49 1iio h GLN 56 N 0.00 0.01 -1.08 4.80 3.07 -1.51 0.78 115.11 121.18 1iio h GLN 56 Ca 0.68 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.42 1iio h GLN 56 Cb 2.82 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.37 1iio h GLN 56 CO -0.01 0.01 0.00 1.33 0.09 0.00 0.00 178.83 180.25 1iio n VAL 57 N -4.12 0.68 -3.81 1.86 0.24 0.19 -4.66 118.33 108.71 1iio n VAL 57 Ca 0.32 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.37 1iio n VAL 57 Cb 1.51 -0.83 -0.17 0.00 -1.47 0.00 0.00 33.84 32.88 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 0.98 0.69 1.34 1.43 0.26 -5.07 118.68 118.31 1iio s LEU 58 Ca 0.00 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 1iio s LEU 58 Cb 0.00 -0.62 0.01 0.00 0.03 0.00 0.00 46.19 45.61 1iio s LEU 58 CO 0.00 -0.20 1.06 0.42 0.23 0.00 0.00 176.35 177.86 1iio s THR 59 N 1.85 3.96 0.37 5.49 -4.23 -1.26 -4.90 115.64 116.91 1iio s THR 59 Ca 0.03 0.66 0.14 0.00 -1.18 0.00 0.00 61.69 61.34 1iio s THR 59 Cb -0.14 -3.36 0.36 0.00 1.34 0.00 0.00 72.50 70.69 1iio s THR 59 CO -0.07 -0.81 1.78 0.00 -0.54 0.00 0.00 174.62 174.98 1iio h ALA 60 N -0.64 2.03 -0.88 3.99 0.00 -2.00 0.49 119.26 122.24 1iio h ALA 60 Ca -0.44 0.07 0.25 0.00 0.00 0.00 0.00 54.91 54.79 1iio h ALA 60 Cb 1.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1iio h ALA 60 CO 0.56 -0.42 0.64 0.22 0.00 0.00 0.00 179.25 180.26 1iio h ASP 61 N 0.51 0.00 0.00 0.00 3.58 -2.03 1.01 116.42 119.49 1iio h ASP 61 Ca 0.58 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.03 1iio h ASP 61 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1iio h ASP 61 CO -0.33 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.50 1iio n ASP 62 N -4.23 0.00 -0.37 2.28 9.92 0.17 -4.17 116.55 120.15 1iio n ASP 62 Ca 0.18 -0.88 0.03 0.00 -0.53 0.00 0.00 54.79 53.60 1iio n ASP 62 Cb 0.96 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.53 1iio n ASP 62 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1iio n PHE 63 N -0.81 0.21 -2.70 1.24 7.35 0.35 -2.63 117.46 120.48 1iio n PHE 63 Ca 0.09 1.22 -0.43 0.00 -0.76 0.00 0.00 57.45 57.57 1iio n PHE 63 Cb 0.04 -0.99 0.00 0.00 0.35 0.00 0.00 39.48 38.89 1iio n PHE 63 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1iio n PRO 64 N -5.55 3.38 -2.63 -7.13 -0.04 -1.26 -2.42 135.00 119.34 1iio n PRO 64 Ca 0.13 -3.64 -0.38 0.00 -0.04 0.00 0.00 63.50 59.58 1iio n PRO 64 Cb 0.45 -3.09 -0.05 0.00 -0.04 0.00 0.00 33.50 30.77 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 1.76 3.56 -0.65 0.54 0.08 -1.08 -4.91 117.98 117.28 1iio s PHE 65 Ca 0.44 1.74 -0.24 0.00 0.12 0.00 0.00 56.93 58.99 1iio s PHE 65 Cb 0.02 -3.08 -0.20 0.00 -0.57 0.00 0.00 43.02 39.19 1iio s PHE 65 CO 0.01 -0.20 1.86 1.17 -0.10 0.00 0.00 175.22 177.96 1iio n LYS 66 N 0.59 1.20 -1.34 0.44 0.00 -1.26 -4.79 118.16 113.00 1iio n LYS 66 Ca 0.02 -1.72 0.16 0.00 0.00 0.00 0.00 58.31 56.77 1iio n LYS 66 Cb 0.48 -2.90 -0.08 0.00 0.00 0.00 0.00 35.03 32.54 1iio n LYS 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1iio n SER 67 N 8.40 -7.14 -0.18 3.14 7.64 -1.20 -2.60 113.62 121.68 1iio n SER 67 Ca 0.49 1.15 0.24 0.00 1.01 0.00 0.00 58.87 61.76 1iio n SER 67 Cb 0.41 -4.49 0.64 0.00 -1.01 0.00 0.00 64.21 59.76 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 -1.38 2.55 -0.21 -0.43 0.00 -1.69 -1.93 119.26 116.16 1iio h ALA 68 Ca -0.14 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1iio h ALA 68 Cb 1.26 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1iio h ALA 68 CO 0.06 -0.80 0.02 1.05 0.00 0.00 0.00 179.25 179.58 1iio h GLU 69 N 0.16 0.10 -0.10 0.00 4.11 -1.89 0.16 114.58 117.11 1iio h GLU 69 Ca 0.42 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.68 1iio h GLU 69 Cb 1.40 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1iio h GLU 69 CO -0.07 0.06 -0.65 1.05 0.07 0.00 0.00 179.01 179.47 1iio h GLU 70 N 0.10 0.40 -0.48 1.06 4.11 -1.09 -2.85 114.58 115.82 1iio h GLU 70 Ca 0.10 -0.29 -0.07 0.00 0.07 0.00 0.00 59.36 59.16 1iio h GLU 70 Cb 0.11 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1iio h GLU 70 CO -0.14 0.91 -0.00 0.28 0.07 0.00 0.00 179.01 180.13 1iio h VAL 71 N 0.29 1.24 0.40 -1.06 2.07 -1.19 0.32 116.25 118.32 1iio h VAL 71 Ca -0.01 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1iio h VAL 71 Cb 1.20 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1iio h VAL 71 CO 0.11 0.35 -0.19 0.00 0.02 0.00 0.00 177.57 177.86 1iio h ALA 72 N 1.26 -0.54 -0.31 1.67 0.00 -0.61 -2.23 119.26 118.49 1iio h ALA 72 Ca 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1iio h ALA 72 Cb 0.45 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1iio h ALA 72 CO 0.02 -0.67 -0.01 -0.44 0.00 0.00 0.00 179.25 178.15 1iio h ASP 73 N -0.81 0.55 -0.47 0.00 5.19 -1.47 -2.83 116.42 116.58 1iio h ASP 73 Ca -0.06 -0.31 0.08 0.00 -0.62 0.00 0.00 57.03 56.12 1iio h ASP 73 Cb 0.54 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.84 1iio h ASP 73 CO 0.09 0.73 0.09 0.74 -3.12 0.00 0.00 179.24 177.77 1iio h THR 74 N 0.35 0.74 0.27 0.35 2.02 -0.42 -1.07 112.91 115.15 1iio h THR 74 Ca 0.09 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1iio h THR 74 Cb 0.45 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1iio h THR 74 CO 0.02 0.04 -0.13 0.40 0.37 0.00 0.00 175.52 176.22 1iio h ILE 75 N 0.22 0.77 -0.98 3.11 2.04 -1.39 -2.68 117.51 118.61 1iio h ILE 75 Ca 0.23 -0.29 0.14 0.00 1.00 0.00 0.00 64.86 65.94 1iio h ILE 75 Cb 0.30 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.23 1iio h ILE 75 CO -0.31 0.06 0.62 -0.37 0.00 0.00 0.00 178.15 178.15 1iio h VAL 76 N -0.51 0.87 0.20 1.67 -1.51 -1.26 0.44 116.25 116.15 1iio h VAL 76 Ca -0.04 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 1iio h VAL 76 Cb 0.38 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.44 1iio h VAL 76 CO 0.06 0.16 -0.09 0.78 -1.23 0.00 0.00 177.57 177.25 1iio h ASN 77 N 0.89 -0.22 -0.06 4.19 2.35 -0.80 0.19 115.58 122.12 1iio h ASN 77 Ca 0.50 0.01 -0.25 0.00 -0.55 0.00 0.00 56.30 56.01 1iio h ASN 77 Cb 0.60 0.06 0.02 0.00 0.05 0.00 0.00 38.32 39.05 1iio h ASN 77 CO -0.27 -0.16 -0.93 0.11 -1.65 0.00 0.00 177.43 174.54 1iio h LYS 78 N -0.27 0.74 -0.00 0.81 1.57 -1.08 -3.29 116.57 115.06 1iio h LYS 78 Ca -0.03 -0.71 -0.07 0.00 -1.87 0.00 0.00 60.65 57.97 1iio h LYS 78 Cb 0.20 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1iio h LYS 78 CO 0.04 1.30 -0.34 0.00 -0.57 0.00 0.00 179.45 179.88 1iio h ALA 79 N 0.46 1.44 0.00 3.86 0.00 -0.14 -3.47 119.26 121.41 1iio h ALA 79 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1iio h ALA 79 Cb 1.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1iio h ALA 79 CO 0.19 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1iio n GLY 80 N -0.56 1.11 0.00 0.00 0.00 -0.50 -5.06 105.19 100.19 1iio n GLY 80 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1iio n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36