#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0r h LEU 3 N 0.00 0.06 -9.51 4.31 4.07 -1.94 -3.47 115.31 108.83 1h0r h LEU 3 Ca 0.00 -0.08 -0.60 0.00 0.08 0.00 0.00 57.88 57.28 1h0r h LEU 3 Cb 0.00 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 41.65 1h0r h LEU 3 CO 0.00 1.06 -0.24 -0.63 -1.08 0.00 0.00 178.44 177.56 1h0r s ILE 4 N -2.67 5.16 -0.05 1.22 1.01 -1.26 -0.52 121.20 124.10 1h0r s ILE 4 Ca -0.02 0.75 0.02 0.00 0.00 0.00 0.00 60.65 61.40 1h0r s ILE 4 Cb 0.09 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1h0r s ILE 4 CO 0.83 0.48 -0.09 -0.69 0.00 0.00 0.00 174.94 175.46 1h0r s VAL 5 N -0.33 0.90 -0.17 2.92 1.01 0.20 -4.30 120.40 120.64 1h0r s VAL 5 Ca 0.22 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 1h0r s VAL 5 Cb -0.15 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1h0r s VAL 5 CO 0.10 0.30 0.30 0.20 0.00 0.00 0.00 175.10 176.00 1h0r s ASN 6 N 0.70 6.43 -0.26 3.32 0.01 -0.77 -1.32 114.94 123.05 1h0r s ASN 6 Ca -0.13 0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 52.51 1h0r s ASN 6 Cb -0.15 -2.19 0.03 0.00 0.41 0.00 0.00 41.25 39.36 1h0r s ASN 6 CO 0.02 0.08 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.95 1h0r s VAL 7 N 0.58 2.88 -0.20 1.60 1.01 -0.01 -0.58 120.40 125.67 1h0r s VAL 7 Ca 0.17 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1h0r s VAL 7 Cb -0.13 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1h0r s VAL 7 CO 0.04 0.14 -0.14 -0.63 0.00 0.00 0.00 175.10 174.52 1h0r s ILE 8 N 1.31 2.48 -0.12 2.22 1.01 -0.34 -0.14 121.20 127.62 1h0r s ILE 8 Ca -0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1h0r s ILE 8 Cb -0.17 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1h0r s ILE 8 CO -0.04 0.43 -0.02 0.20 0.00 0.00 0.00 174.94 175.51 1h0r s ASN 9 N 1.33 4.99 0.09 3.58 0.01 -0.15 -1.44 114.94 123.35 1h0r s ASN 9 Ca 0.04 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 1h0r s ASN 9 Cb -0.14 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 39.92 1h0r s ASN 9 CO -0.09 0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1h0r n GLY 10 N 2.87 1.09 3.70 0.66 0.00 0.18 -1.36 105.19 112.34 1h0r n GLY 10 Ca -0.18 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1h0r n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h0r n PRO 11 N -0.30 2.06 0.00 1.61 -0.02 -1.05 -2.64 135.00 134.66 1h0r n PRO 11 Ca 0.00 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1h0r n PRO 11 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 1h0r n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1h0r n ASN 12 N 0.53 0.00 0.17 2.55 3.02 -1.26 -4.56 115.26 115.71 1h0r n ASN 12 Ca 0.05 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.74 1h0r n ASN 12 Cb 0.38 -0.06 0.45 0.00 -0.61 0.00 0.00 39.78 39.94 1h0r n ASN 12 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1h0r h LEU 13 N 0.00 0.00 -2.58 3.41 3.38 -1.87 -2.25 115.31 115.40 1h0r h LEU 13 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h0r h LEU 13 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1h0r h LEU 13 CO 0.00 0.00 -0.02 1.23 0.09 0.00 0.00 178.44 179.74 1h0r h GLY 14 N 3.22 0.00 -1.24 0.83 0.00 -1.89 -2.89 103.07 101.10 1h0r h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h0r h GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1h0r n ARG 15 N -3.34 1.89 -1.58 4.80 5.12 -0.85 -4.57 116.66 118.13 1h0r n ARG 15 Ca -0.02 -1.36 -0.44 0.00 -1.93 0.00 0.00 57.85 54.09 1h0r n ARG 15 Cb 0.12 -1.38 -0.01 0.00 -1.16 0.00 0.00 32.46 30.03 1h0r n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1h0r n LEU 16 N 0.59 1.79 0.00 0.55 4.77 -1.09 -1.88 117.00 121.73 1h0r n LEU 16 Ca 0.16 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 1h0r n LEU 16 Cb 0.36 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1h0r n LEU 16 CO 0.12 -1.52 0.00 0.61 -1.33 0.00 0.00 177.39 175.27 1h0r n GLY 17 N 1.25 2.96 2.68 -0.72 0.00 -1.04 -3.91 105.19 106.41 1h0r n GLY 17 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1h0r n GLY 17 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1h0r n ARG 18 N -0.64 3.42 0.00 1.61 1.85 -0.78 -4.76 116.66 117.37 1h0r n ARG 18 Ca 0.00 -4.55 0.00 0.00 -1.00 0.00 0.00 57.85 52.30 1h0r n ARG 18 Cb 0.00 -2.26 0.00 0.00 -1.05 0.00 0.00 32.46 29.15 1h0r n ARG 18 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1h0r n VAL 23 N -0.39 0.00 0.94 8.89 0.31 -1.26 -5.16 118.33 121.67 1h0r n VAL 23 Ca 0.38 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.82 1h0r n VAL 23 Cb 0.51 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.48 1h0r n VAL 23 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1h0r n TYR 24 N 0.00 0.00 -1.56 3.52 4.02 -1.26 -4.43 117.16 117.45 1h0r n TYR 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1h0r n TYR 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1h0r n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h0r n GLY 25 N 1.32 -2.38 0.26 2.72 0.00 -1.26 -4.78 105.19 101.08 1h0r n GLY 25 Ca 0.11 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.62 1h0r n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h0r n GLY 26 N -0.39 -0.48 3.76 -0.02 0.00 -1.26 -3.38 105.19 103.43 1h0r n GLY 26 Ca 0.00 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1h0r n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h0r s THR 27 N -2.71 3.11 0.51 2.61 2.01 -1.26 -4.57 115.64 115.34 1h0r s THR 27 Ca 0.14 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1h0r s THR 27 Cb 0.17 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 69.00 1h0r s THR 27 CO 0.69 0.25 0.74 0.42 -0.69 0.00 0.00 174.62 176.03 1h0r s THR 28 N -1.18 3.41 0.25 -0.82 -4.23 -1.26 -2.50 115.64 109.32 1h0r s THR 28 Ca 0.48 -0.52 -0.05 0.00 -1.18 0.00 0.00 61.69 60.41 1h0r s THR 28 Cb -0.35 -3.28 0.24 0.00 1.34 0.00 0.00 72.50 70.45 1h0r s THR 28 CO 0.46 -0.21 1.91 -0.74 -0.54 0.00 0.00 174.62 175.50 1h0r h HIS 29 N 0.20 1.20 -0.62 3.99 2.76 -1.81 0.72 115.15 121.60 1h0r h HIS 29 Ca -0.44 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.69 1h0r h HIS 29 Cb 1.27 -0.40 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 1h0r h HIS 29 CO 0.42 0.79 0.25 -0.44 -1.30 0.00 0.00 177.93 177.65 1h0r h ASP 30 N 1.27 0.85 -0.72 3.26 3.32 -1.94 -0.21 116.42 122.25 1h0r h ASP 30 Ca 0.33 -0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1h0r h ASP 30 Cb -0.07 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.20 1h0r h ASP 30 CO -0.06 0.79 0.42 -0.33 -1.72 0.00 0.00 179.24 178.34 1h0r h GLU 31 N 0.86 0.76 0.06 3.56 5.08 -1.83 -0.83 114.58 122.24 1h0r h GLU 31 Ca 0.21 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1h0r h GLU 31 Cb 0.20 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1h0r h GLU 31 CO -0.02 0.51 -0.03 1.25 -1.00 0.00 0.00 179.01 179.72 1h0r h LEU 32 N 0.79 -0.07 -0.47 1.33 5.85 -0.06 -0.41 115.31 122.27 1h0r h LEU 32 Ca 0.32 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.11 1h0r h LEU 32 Cb 0.16 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 1h0r h LEU 32 CO -0.17 -0.02 -0.12 0.58 -0.34 0.00 0.00 178.44 178.37 1h0r h VAL 33 N -0.11 0.53 -0.64 1.05 2.07 -0.80 -1.52 116.25 116.83 1h0r h VAL 33 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1h0r h VAL 33 Cb 0.09 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1h0r h VAL 33 CO 0.01 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.76 1h0r h ALA 34 N 1.47 1.07 -0.56 1.67 0.00 -0.45 -1.35 119.26 121.10 1h0r h ALA 34 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1h0r h ALA 34 Cb 0.35 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1h0r h ALA 34 CO -0.49 0.62 0.32 -0.07 0.00 0.00 0.00 179.25 179.63 1h0r h LEU 35 N 0.96 0.69 0.23 0.00 3.38 -0.73 -2.01 115.31 117.82 1h0r h LEU 35 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1h0r h LEU 35 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1h0r h LEU 35 CO 0.00 0.57 -0.11 0.40 0.09 0.00 0.00 178.44 179.39 1h0r h ILE 36 N 0.76 0.84 -0.39 1.22 2.04 -0.98 -1.65 117.51 119.34 1h0r h ILE 36 Ca 0.20 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1h0r h ILE 36 Cb 0.02 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1h0r h ILE 36 CO -0.03 0.11 0.15 -0.33 0.00 0.00 0.00 178.15 178.04 1h0r h GLU 37 N -0.56 0.31 -0.77 2.37 5.08 -1.24 -0.04 114.58 119.73 1h0r h GLU 37 Ca -0.03 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1h0r h GLU 37 Cb 0.41 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 1h0r h GLU 37 CO 0.05 0.20 0.39 -0.09 -1.00 0.00 0.00 179.01 178.57 1h0r h ARG 38 N 0.32 0.60 -0.12 2.33 2.43 -1.32 -1.38 114.38 117.24 1h0r h ARG 38 Ca 0.18 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.12 1h0r h ARG 38 Cb 0.14 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1h0r h ARG 38 CO -0.17 0.40 -0.72 1.49 -1.51 0.00 0.00 179.97 179.46 1h0r h GLU 39 N 0.62 0.55 -0.50 0.20 4.57 -0.95 -2.62 114.58 116.45 1h0r h GLU 39 Ca 0.40 -0.43 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 1h0r h GLU 39 Cb 0.48 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1h0r h GLU 39 CO -0.31 1.06 -0.08 0.00 -1.18 0.00 0.00 179.01 178.49 1h0r h ALA 40 N 0.82 0.91 -0.41 2.92 0.00 -0.67 -2.07 119.26 120.76 1h0r h ALA 40 Ca -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1h0r h ALA 40 Cb 1.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1h0r h ALA 40 CO 0.13 0.63 0.10 0.00 0.00 0.00 0.00 179.25 180.12 1h0r h ALA 41 N 1.08 0.54 -1.00 0.00 0.00 -1.21 -1.12 119.26 117.55 1h0r h ALA 41 Ca 0.14 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.08 1h0r h ALA 41 Cb 0.60 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.12 1h0r h ALA 41 CO 0.04 0.21 0.60 1.49 0.00 0.00 0.00 179.25 181.58 1h0r h GLU 42 N 0.52 0.63 -0.00 0.00 4.81 -1.22 -2.45 114.58 116.87 1h0r h GLU 42 Ca 0.13 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1h0r h GLU 42 Cb 0.30 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1h0r h GLU 42 CO 0.00 0.42 -0.20 1.28 -0.73 0.00 0.00 179.01 179.78 1h0r n LEU 43 N -4.84 0.50 0.00 1.64 4.77 -0.64 -4.94 117.00 113.48 1h0r n LEU 43 Ca 0.25 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1h0r n LEU 43 Cb 0.68 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1h0r n LEU 43 CO 0.18 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1h0r n GLY 44 N 1.37 0.63 3.90 -0.72 0.00 -0.69 -4.98 105.19 104.70 1h0r n GLY 44 Ca 0.11 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1h0r n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h0r s LEU 45 N 0.00 3.46 -0.18 0.99 1.43 -0.52 -4.82 118.68 119.05 1h0r s LEU 45 Ca 0.00 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1h0r s LEU 45 Cb 0.00 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1h0r s LEU 45 CO 0.00 -0.65 -0.15 -0.75 0.23 0.00 0.00 176.35 175.03 1h0r s LYS 46 N -4.16 3.16 -0.22 1.70 2.20 0.32 -3.64 119.74 119.11 1h0r s LYS 46 Ca 0.49 -0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 55.23 1h0r s LYS 46 Cb -0.05 -2.68 -0.05 0.00 -1.51 0.00 0.00 37.83 33.55 1h0r s LYS 46 CO 0.29 -0.11 0.18 0.00 -0.36 0.00 0.00 175.35 175.35 1h0r s ALA 47 N 1.13 3.63 -0.33 3.13 0.00 -1.26 -0.63 121.76 127.43 1h0r s ALA 47 Ca 0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1h0r s ALA 47 Cb -0.14 -2.30 0.05 0.00 0.00 0.00 0.00 23.12 20.72 1h0r s ALA 47 CO -0.05 -0.05 0.08 0.08 0.00 0.00 0.00 175.76 175.82 1h0r s VAL 48 N 0.77 3.57 -0.18 0.00 1.01 -0.43 -4.90 120.40 120.24 1h0r s VAL 48 Ca 0.09 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 1h0r s VAL 48 Cb -0.13 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1h0r s VAL 48 CO 0.02 -0.18 0.00 -0.69 0.00 0.00 0.00 175.10 174.25 1h0r s VAL 49 N 1.36 4.08 0.04 2.92 1.01 -1.26 -0.83 120.40 127.72 1h0r s VAL 49 Ca -0.02 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1h0r s VAL 49 Cb -0.20 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1h0r s VAL 49 CO 0.02 0.45 -0.09 -0.13 0.00 0.00 0.00 175.10 175.34 1h0r s ARG 50 N 0.72 0.60 -0.00 2.72 0.52 0.80 -4.98 118.95 119.33 1h0r s ARG 50 Ca 0.00 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1h0r s ARG 50 Cb -0.14 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 34.88 1h0r s ARG 50 CO 0.02 0.09 -0.02 -1.14 0.02 0.00 0.00 175.30 174.28 1h0r s GLN 51 N -1.44 0.19 -0.10 3.54 -0.44 -1.26 -0.97 119.66 119.17 1h0r s GLN 51 Ca -0.07 -0.06 -0.13 0.00 -2.50 0.00 0.00 55.36 52.60 1h0r s GLN 51 Cb -0.09 -0.21 0.03 0.00 -1.64 0.00 0.00 33.01 31.10 1h0r s GLN 51 CO 0.01 0.03 0.35 0.45 0.50 0.00 0.00 175.29 176.63 1h0r s SER 52 N 0.07 -0.33 0.00 6.67 0.15 -0.47 -4.97 113.70 114.82 1h0r s SER 52 Ca -0.00 0.56 0.28 0.00 0.70 0.00 0.00 55.95 57.49 1h0r s SER 52 Cb -0.02 0.63 1.15 0.00 -1.71 0.00 0.00 66.02 66.06 1h0r s SER 52 CO -0.00 -0.21 1.82 0.47 1.20 0.00 0.00 173.24 176.51 1h0r n ASP 53 N 2.45 0.51 -4.54 5.45 8.00 -1.26 -2.54 116.55 124.62 1h0r n ASP 53 Ca -0.15 -0.54 -0.41 0.00 0.71 0.00 0.00 54.79 54.39 1h0r n ASP 53 Cb 0.57 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.52 1h0r n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1h0r s SER 54 N -2.52 6.18 0.27 -2.24 0.15 -1.26 -4.71 113.70 109.57 1h0r s SER 54 Ca 0.27 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.62 1h0r s SER 54 Cb 0.20 -2.20 0.51 0.00 -1.71 0.00 0.00 66.02 62.82 1h0r s SER 54 CO 0.49 -0.37 1.80 -0.08 1.20 0.00 0.00 173.24 176.28 1h0r h GLU 55 N 8.50 0.79 -0.48 5.44 4.81 -1.99 -1.36 114.58 130.28 1h0r h GLU 55 Ca -0.29 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1h0r h GLU 55 Cb 1.14 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1h0r h GLU 55 CO 0.71 0.53 0.22 0.00 -0.73 0.00 0.00 179.01 179.73 1h0r h ALA 56 N 1.52 1.47 -0.28 2.92 0.00 -1.99 -0.17 119.26 122.73 1h0r h ALA 56 Ca 0.46 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 1h0r h ALA 56 Cb 0.52 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1h0r h ALA 56 CO -0.29 0.41 -0.35 0.37 0.00 0.00 0.00 179.25 179.40 1h0r h GLN 57 N 0.68 0.73 -0.66 0.00 5.75 -1.76 -1.95 115.11 117.90 1h0r h GLN 57 Ca 0.17 -0.41 0.01 0.00 -0.15 0.00 0.00 58.65 58.27 1h0r h GLN 57 Cb 0.10 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1h0r h GLN 57 CO -0.02 1.03 0.43 -0.07 -2.65 0.00 0.00 178.83 177.55 1h0r h LEU 58 N 0.48 0.74 -1.22 -2.39 3.38 -0.63 -2.19 115.31 113.47 1h0r h LEU 58 Ca 0.04 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1h0r h LEU 58 Cb 0.93 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1h0r h LEU 58 CO 0.08 0.53 0.53 -0.07 0.09 0.00 0.00 178.44 179.60 1h0r h LEU 59 N 0.87 0.91 -0.35 1.67 3.38 -0.91 -1.71 115.31 119.18 1h0r h LEU 59 Ca 0.24 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1h0r h LEU 59 Cb -0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1h0r h LEU 59 CO -0.06 0.66 -0.00 -0.78 0.09 0.00 0.00 178.44 178.35 1h0r h ASP 60 N 1.08 0.61 -0.43 -0.43 3.58 -0.91 -0.03 116.42 119.89 1h0r h ASP 60 Ca 0.29 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 1h0r h ASP 60 Cb -0.12 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 1h0r h ASP 60 CO -0.06 0.77 0.16 -0.50 -2.88 0.00 0.00 179.24 176.73 1h0r h TRP 61 N 0.43 0.66 -0.97 0.28 6.55 -1.14 -1.07 115.95 120.70 1h0r h TRP 61 Ca 0.10 -0.06 0.01 0.00 0.95 0.00 0.00 58.89 59.89 1h0r h TRP 61 Cb 0.46 -0.20 -0.05 0.00 -0.86 0.00 0.00 29.16 28.51 1h0r h TRP 61 CO 0.04 0.59 0.63 0.82 -1.05 0.00 0.00 178.44 179.46 1h0r h ILE 62 N 0.55 1.25 -0.21 1.49 1.08 -1.15 -1.72 117.51 118.81 1h0r h ILE 62 Ca 0.14 -0.49 0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1h0r h ILE 62 Cb 0.21 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.79 1h0r h ILE 62 CO -0.01 0.25 0.08 0.45 -0.69 0.00 0.00 178.15 178.23 1h0r h HIS 63 N 1.32 0.15 -0.84 1.37 3.86 -0.59 -0.41 115.15 120.00 1h0r h HIS 63 Ca 0.35 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 1h0r h HIS 63 Cb -0.13 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.27 1h0r h HIS 63 CO 0.00 0.08 0.43 1.96 0.86 0.00 0.00 177.93 181.26 1h0r h GLN 64 N 0.19 1.20 -0.46 2.45 4.20 -0.83 -0.25 115.11 121.61 1h0r h GLN 64 Ca 0.09 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1h0r h GLN 64 Cb 0.05 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1h0r h GLN 64 CO -0.08 0.90 0.17 0.00 -0.67 0.00 0.00 178.83 179.15 1h0r h ALA 65 N 1.23 1.44 -0.03 3.87 0.00 -0.78 -1.19 119.26 123.80 1h0r h ALA 65 Ca 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1h0r h ALA 65 Cb 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1h0r h ALA 65 CO -0.04 0.42 0.02 0.00 0.00 0.00 0.00 179.25 179.65 1h0r h ALA 66 N 1.54 0.04 -0.28 0.00 0.00 -0.50 0.74 119.26 120.80 1h0r h ALA 66 Ca 0.16 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1h0r h ALA 66 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h0r h ALA 66 CO -0.01 -0.43 -0.29 -0.44 0.00 0.00 0.00 179.25 178.08 1h0r h ASP 67 N -0.02 0.59 0.60 0.00 3.32 -0.81 -2.67 116.42 117.42 1h0r h ASP 67 Ca 0.01 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1h0r h ASP 67 Cb 0.06 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1h0r h ASP 67 CO -0.00 0.85 -0.15 0.00 -1.72 0.00 0.00 179.24 178.22 1h0r n ALA 68 N -2.49 2.77 -3.66 3.45 0.00 -0.47 -4.95 120.51 115.16 1h0r n ALA 68 Ca -0.01 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 1h0r n ALA 68 Cb 0.44 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.62 1h0r n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h0r n ALA 69 N -1.26 -1.48 -2.84 0.00 0.00 0.17 -5.02 120.51 110.08 1h0r n ALA 69 Ca 0.10 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 1h0r n ALA 69 Cb 0.31 -4.46 -0.07 0.00 0.00 0.00 0.00 19.45 15.23 1h0r n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1h0r s GLU 70 N -6.21 3.30 0.72 0.00 2.02 -0.68 -4.62 118.70 113.23 1h0r s GLU 70 Ca 0.46 -0.27 -0.14 0.00 0.02 0.00 0.00 54.97 55.04 1h0r s GLU 70 Cb -0.21 -3.05 0.03 0.00 0.10 0.00 0.00 34.13 31.00 1h0r s GLU 70 CO 0.76 0.73 1.14 -1.25 0.02 0.00 0.00 175.26 176.66 1h0r s PRO 71 N -1.30 2.34 -0.04 0.39 0.04 -1.26 -4.65 135.00 130.52 1h0r s PRO 71 Ca 0.18 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1h0r s PRO 71 Cb -0.12 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1h0r s PRO 71 CO 0.08 -1.63 -0.12 0.08 0.04 0.00 0.00 177.00 175.46 1h0r s VAL 72 N -2.33 1.03 -0.25 -0.36 1.01 -0.80 -1.84 120.40 116.86 1h0r s VAL 72 Ca 0.69 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1h0r s VAL 72 Cb -0.23 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1h0r s VAL 72 CO 0.46 0.32 0.01 -0.63 0.00 0.00 0.00 175.10 175.26 1h0r s ILE 73 N 0.37 3.68 -0.13 2.22 1.01 0.25 -1.42 121.20 127.18 1h0r s ILE 73 Ca -0.08 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1h0r s ILE 73 Cb -0.12 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1h0r s ILE 73 CO 0.02 0.30 -0.14 -0.22 0.00 0.00 0.00 174.94 174.90 1h0r s LEU 74 N 1.50 1.64 -0.49 2.97 2.96 0.05 -1.20 118.68 126.12 1h0r s LEU 74 Ca 0.05 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1h0r s LEU 74 Cb -0.15 -1.11 0.13 0.00 0.50 0.00 0.00 46.19 45.56 1h0r s LEU 74 CO -0.00 -0.04 0.27 0.21 -1.32 0.00 0.00 176.35 175.47 1h0r s ASN 75 N 1.32 5.07 0.00 3.68 3.84 -0.52 -0.90 114.94 127.43 1h0r s ASN 75 Ca 0.01 -2.45 0.31 0.00 0.21 0.00 0.00 52.86 50.94 1h0r s ASN 75 Cb -0.14 -1.79 1.77 0.00 -0.55 0.00 0.00 41.25 40.54 1h0r s ASN 75 CO -0.07 -0.42 2.16 0.00 -2.79 0.00 0.00 177.10 175.98 1h0r n ALA 76 N 3.99 2.63 -0.92 1.71 0.00 -1.26 -0.64 120.51 126.02 1h0r n ALA 76 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1h0r n ALA 76 Cb 0.39 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1h0r n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h0r n GLY 77 N 1.09 3.12 0.23 0.00 0.00 -1.26 -2.67 105.19 105.70 1h0r n GLY 77 Ca 0.21 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1h0r n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1h0r h GLY 78 N 0.00 0.00 1.79 -0.02 0.00 -1.96 -2.31 103.07 100.57 1h0r h GLY 78 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1h0r h GLY 78 CO 0.00 0.00 0.09 1.41 0.00 0.00 0.00 176.54 178.04 1h0r h LEU 79 N 0.00 0.00 -0.93 3.11 3.38 -1.90 -2.63 115.31 116.35 1h0r h LEU 79 Ca -0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.24 1h0r h LEU 79 Cb 0.32 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.92 1h0r h LEU 79 CO 0.02 0.00 0.27 0.74 0.09 0.00 0.00 178.44 179.57 1h0r h THR 80 N 0.00 0.21 0.00 0.22 2.02 -1.54 -1.30 112.91 112.53 1h0r h THR 80 Ca 0.03 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1h0r h THR 80 Cb 0.21 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1h0r h THR 80 CO -0.00 0.03 -0.99 1.41 0.37 0.00 0.00 175.52 176.34 1h0r n HIS 81 N -5.26 0.03 0.00 3.16 8.25 -0.99 -1.07 115.22 119.34 1h0r n HIS 81 Ca 0.25 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1h0r n HIS 81 Cb 0.81 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.79 1h0r n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1h0r n THR 82 N -1.61 0.00 -3.00 1.59 -2.24 -1.05 -4.81 114.28 103.16 1h0r n THR 82 Ca 0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1h0r n THR 82 Cb 0.36 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 1h0r n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h0r s SER 83 N -2.71 6.42 0.12 3.42 0.15 -0.52 -4.90 113.70 115.67 1h0r s SER 83 Ca 0.00 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.61 1h0r s SER 83 Cb 0.00 -2.37 -0.18 0.00 -1.71 0.00 0.00 66.02 61.77 1h0r s SER 83 CO 0.00 -0.83 1.25 0.58 1.20 0.00 0.00 173.24 175.45 1h0r h VAL 84 N 5.89 1.56 -0.98 4.45 2.07 -1.97 -3.03 116.25 124.24 1h0r h VAL 84 Ca -0.25 -3.02 0.08 0.00 0.82 0.00 0.00 66.70 64.33 1h0r h VAL 84 Cb 1.09 2.76 -0.07 0.00 -1.52 0.00 0.00 31.29 33.56 1h0r h VAL 84 CO 0.93 0.88 0.63 0.00 0.02 0.00 0.00 177.57 180.02 1h0r h ALA 85 N 0.82 1.46 -0.17 1.67 0.00 -1.99 -0.04 119.26 121.01 1h0r h ALA 85 Ca -0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1h0r h ALA 85 Cb 1.77 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1h0r h ALA 85 CO 0.16 0.36 -0.11 1.25 0.00 0.00 0.00 179.25 180.92 1h0r h LEU 86 N 1.10 0.39 -0.55 0.00 5.85 -1.95 -2.28 115.31 117.87 1h0r h LEU 86 Ca 0.44 -0.43 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1h0r h LEU 86 Cb 0.26 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 1h0r h LEU 86 CO -0.19 0.74 0.12 -0.09 -0.34 0.00 0.00 178.44 178.68 1h0r h ARG 87 N 0.05 0.26 -0.31 1.25 2.43 -1.31 -1.85 114.38 114.90 1h0r h ARG 87 Ca 0.04 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1h0r h ARG 87 Cb 0.60 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1h0r h ARG 87 CO 0.03 0.17 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.07 1h0r h ASP 88 N 0.26 0.52 -0.11 -3.80 3.32 -0.74 -0.37 116.42 115.51 1h0r h ASP 88 Ca 0.28 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 57.02 1h0r h ASP 88 Cb 0.40 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1h0r h ASP 88 CO -0.36 0.70 -0.54 0.00 -1.72 0.00 0.00 179.24 177.32 1h0r h ALA 89 N 1.36 0.61 -0.13 3.45 0.00 -1.04 -2.91 119.26 120.60 1h0r h ALA 89 Ca 0.09 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 1h0r h ALA 89 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1h0r h ALA 89 CO 0.03 0.68 -0.36 0.00 0.00 0.00 0.00 179.25 179.61 1h0r h ALA 91 N 1.40 1.00 0.00 0.00 0.00 -0.86 -1.95 119.26 118.85 1h0r h ALA 91 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h0r h ALA 91 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1h0r h ALA 91 CO 0.06 0.00 -0.24 0.93 0.00 0.00 0.00 179.25 179.99 1h0r h GLU 92 N 0.00 0.00 -6.72 0.00 5.08 -1.54 -3.46 114.58 107.95 1h0r h GLU 92 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1h0r h GLU 92 Cb 0.04 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.36 1h0r h GLU 92 CO 0.00 0.00 0.94 1.28 -1.00 0.00 0.00 179.01 180.23 1h0r n LEU 93 N -2.92 4.15 -0.06 1.33 4.77 -0.73 -4.90 117.00 118.64 1h0r n LEU 93 Ca 0.03 1.10 -0.08 0.00 -0.03 0.00 0.00 56.01 57.03 1h0r n LEU 93 Cb 0.53 -1.58 -0.15 0.00 -2.33 0.00 0.00 43.42 39.89 1h0r n LEU 93 CO 0.35 0.15 -0.84 -1.54 -1.33 0.00 0.00 177.39 174.19 1h0r n SER 94 N 3.07 0.41 -4.89 -1.43 3.41 -1.26 -4.94 113.62 107.98 1h0r n SER 94 Ca 0.12 0.19 -0.30 0.00 -0.26 0.00 0.00 58.87 58.63 1h0r n SER 94 Cb 0.36 0.54 0.06 0.00 -0.26 0.00 0.00 64.21 64.91 1h0r n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h0r s ALA 95 N -2.59 2.86 0.59 7.33 0.00 -1.26 -5.03 121.76 123.66 1h0r s ALA 95 Ca -0.07 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.24 1h0r s ALA 95 Cb 0.07 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1h0r s ALA 95 CO 0.83 -1.27 1.28 -2.14 0.00 0.00 0.00 175.76 174.46 1h0r s PRO 96 N -5.40 2.91 -0.14 0.00 0.02 -1.26 -4.78 135.00 126.35 1h0r s PRO 96 Ca 0.59 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.65 1h0r s PRO 96 Cb -0.11 -2.02 0.02 0.00 0.02 0.00 0.00 34.50 32.41 1h0r s PRO 96 CO 0.51 -1.31 -0.18 -1.17 -0.33 0.00 0.00 177.00 174.52 1h0r s LEU 97 N -3.96 1.93 -0.22 -5.54 2.96 -1.26 -1.91 118.68 110.68 1h0r s LEU 97 Ca 0.77 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1h0r s LEU 97 Cb -0.36 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.04 1h0r s LEU 97 CO 0.40 0.02 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.72 1h0r s ILE 98 N 1.09 2.84 -0.21 6.68 -1.09 -0.51 -0.70 121.20 129.30 1h0r s ILE 98 Ca -0.02 -0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 57.33 1h0r s ILE 98 Cb -0.14 -2.32 -0.00 0.00 -1.58 0.00 0.00 42.46 38.41 1h0r s ILE 98 CO -0.06 0.38 0.94 -0.70 -1.23 0.00 0.00 174.94 174.27 1h0r s GLU 99 N 1.37 4.26 -0.07 2.79 2.12 -0.67 -0.77 118.70 127.73 1h0r s GLU 99 Ca 0.04 1.19 0.03 0.00 0.36 0.00 0.00 54.97 56.58 1h0r s GLU 99 Cb -0.15 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 1h0r s GLU 99 CO -0.06 -0.52 -0.14 0.08 -0.54 0.00 0.00 175.26 174.07 1h0r s VAL 100 N 2.82 3.03 -0.05 3.70 1.01 -0.08 -0.99 120.40 129.83 1h0r s VAL 100 Ca 0.41 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1h0r s VAL 100 Cb -0.16 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1h0r s VAL 100 CO 0.09 0.58 -0.11 -1.00 0.00 0.00 0.00 175.10 174.65 1h0r s HIS 101 N -0.46 1.33 0.00 5.22 3.76 0.07 -4.10 115.29 121.10 1h0r s HIS 101 Ca 0.06 -0.45 -0.22 0.00 -0.15 0.00 0.00 55.06 54.30 1h0r s HIS 101 Cb -0.12 -0.97 -0.18 0.00 1.11 0.00 0.00 32.58 32.42 1h0r s HIS 101 CO 0.02 -0.22 1.25 0.82 -0.85 0.00 0.00 174.74 175.75 1h0r h ILE 102 N 5.81 1.40 -3.87 0.60 2.04 -1.86 -2.57 117.51 119.06 1h0r h ILE 102 Ca -0.32 -1.44 -0.49 0.00 1.00 0.00 0.00 64.86 63.61 1h0r h ILE 102 Cb 1.18 2.16 0.05 0.00 -0.74 0.00 0.00 36.82 39.47 1h0r h ILE 102 CO 0.48 0.40 0.23 -0.94 0.00 0.00 0.00 178.15 178.32 1h0r s SER 103 N -6.09 5.83 -0.81 1.72 1.04 -1.26 -1.97 113.70 112.16 1h0r s SER 103 Ca -0.15 0.94 -0.26 0.00 0.48 0.00 0.00 55.95 56.96 1h0r s SER 103 Cb 0.03 -1.99 0.03 0.00 0.10 0.00 0.00 66.02 64.20 1h0r s SER 103 CO 0.74 -0.96 1.35 0.21 0.98 0.00 0.00 173.24 175.56 1h0r s ASN 104 N -4.25 6.21 0.24 7.02 3.84 -1.26 -1.92 114.94 124.82 1h0r s ASN 104 Ca 0.53 -0.69 0.17 0.00 0.21 0.00 0.00 52.86 53.08 1h0r s ASN 104 Cb -0.11 -2.56 0.90 0.00 -0.55 0.00 0.00 41.25 38.93 1h0r s ASN 104 CO 0.47 -1.78 1.53 1.33 -2.79 0.00 0.00 177.10 175.87 1h0r n VAL 105 N 6.56 1.20 1.18 -5.21 0.24 -1.26 -1.66 118.33 119.37 1h0r n VAL 105 Ca 0.12 0.61 0.13 0.00 -2.04 0.00 0.00 64.34 63.15 1h0r n VAL 105 Cb 0.50 -1.59 0.35 0.00 -1.47 0.00 0.00 33.84 31.63 1h0r n VAL 105 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1h0r n HIS 106 N -2.08 0.00 -1.02 6.34 8.25 -1.26 -3.92 115.22 121.52 1h0r n HIS 106 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1h0r n HIS 106 Cb 0.06 -0.16 0.32 0.00 1.12 0.00 0.00 29.99 31.33 1h0r n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h0r n ALA 107 N -0.90 3.99 -3.00 -1.41 0.00 -0.66 -4.96 120.51 113.56 1h0r n ALA 107 Ca 0.10 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.27 1h0r n ALA 107 Cb 0.34 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1h0r n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h0r n ARG 108 N -0.08 2.14 -2.33 0.00 1.74 -1.25 -5.07 116.66 111.81 1h0r n ARG 108 Ca 0.32 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 57.05 1h0r n ARG 108 Cb 1.20 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.63 1h0r n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1h0r s GLU 109 N 4.40 3.54 0.29 5.56 8.01 -1.26 -4.92 118.70 134.31 1h0r s GLU 109 Ca 0.00 1.58 0.03 0.00 0.01 0.00 0.00 54.97 56.59 1h0r s GLU 109 Cb 0.00 -2.10 0.66 0.00 -4.31 0.00 0.00 34.13 28.38 1h0r s GLU 109 CO 0.00 -0.69 1.75 1.49 0.01 0.00 0.00 175.26 177.83 1h0r h GLU 110 N 1.45 0.61 0.00 1.61 4.57 -1.96 -1.53 114.58 119.33 1h0r h GLU 110 Ca -0.50 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1h0r h GLU 110 Cb 1.25 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1h0r h GLU 110 CO 0.58 0.41 0.00 0.27 -1.18 0.00 0.00 179.01 179.09 1h0r h PHE 111 N 0.63 0.00 -0.00 0.92 -5.15 -1.95 -1.57 116.94 109.83 1h0r h PHE 111 Ca 0.53 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.30 1h0r h PHE 111 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.02 1h0r h PHE 111 CO -0.06 0.00 -0.18 0.54 -2.00 0.00 0.00 178.31 176.61 1h0r n ARG 112 N -2.30 0.63 -0.10 6.09 1.74 -0.58 -3.55 116.66 118.60 1h0r n ARG 112 Ca 0.00 -0.27 0.10 0.00 -0.77 0.00 0.00 57.85 56.92 1h0r n ARG 112 Cb 0.15 -1.49 0.35 0.00 -1.02 0.00 0.00 32.46 30.44 1h0r n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1h0r n ARG 113 N -0.95 1.80 -4.99 5.56 1.74 -0.59 -4.72 116.66 114.50 1h0r n ARG 113 Ca 0.13 -1.20 -0.32 0.00 -0.77 0.00 0.00 57.85 55.68 1h0r n ARG 113 Cb 0.31 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 1h0r n ARG 113 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1h0r s HIS 114 N -1.75 2.67 -0.09 -1.55 2.46 -1.23 -5.05 115.29 110.75 1h0r s HIS 114 Ca 0.32 -0.73 0.04 0.00 0.47 0.00 0.00 55.06 55.17 1h0r s HIS 114 Cb 0.17 -1.75 -0.00 0.00 -0.13 0.00 0.00 32.58 30.88 1h0r s HIS 114 CO 0.26 -0.23 -0.24 0.45 -2.47 0.00 0.00 174.74 172.51 1h0r s SER 115 N 0.16 3.04 0.34 9.88 0.15 -1.26 -4.34 113.70 121.67 1h0r s SER 115 Ca -0.10 -0.54 0.26 0.00 0.70 0.00 0.00 55.95 56.27 1h0r s SER 115 Cb -0.16 -1.29 1.02 0.00 -1.71 0.00 0.00 66.02 63.88 1h0r s SER 115 CO 0.06 0.17 1.79 1.88 1.20 0.00 0.00 173.24 178.33 1h0r h TYR 116 N 6.60 0.00 0.08 3.44 0.05 -1.41 -3.32 116.97 122.41 1h0r h TYR 116 Ca -0.22 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.19 1h0r h TYR 116 Cb 1.23 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.93 1h0r h TYR 116 CO 0.46 0.00 -2.18 1.28 -1.05 0.00 0.00 178.16 176.68 1h0r n LEU 117 N -2.51 2.76 -0.33 3.88 4.77 -1.26 -4.43 117.00 119.88 1h0r n LEU 117 Ca 0.02 0.08 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1h0r n LEU 117 Cb 0.30 -1.04 0.33 0.00 -2.33 0.00 0.00 43.42 40.68 1h0r n LEU 117 CO 0.24 0.89 1.21 0.28 -1.33 0.00 0.00 177.39 178.68 1h0r h SER 118 N 0.05 0.77 0.38 -1.43 0.02 -1.93 -1.69 113.55 109.71 1h0r h SER 118 Ca -0.48 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1h0r h SER 118 Cb 1.99 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.45 1h0r h SER 118 CO 0.02 0.33 -0.05 -0.65 -1.14 0.00 0.00 176.83 175.34 1h0r h PRO 119 N 0.78 0.00 -0.01 3.45 0.11 -1.80 -2.96 132.00 131.56 1h0r h PRO 119 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1h0r h PRO 119 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1h0r h PRO 119 CO -0.31 0.05 -0.27 0.44 -0.21 0.00 0.00 178.00 177.71 1h0r n ILE 120 N -3.38 0.00 -1.44 4.15 -6.64 -0.70 -4.99 119.36 106.35 1h0r n ILE 120 Ca -0.02 -0.37 -0.31 0.00 -1.77 0.00 0.00 62.75 60.29 1h0r n ILE 120 Cb 0.20 1.20 0.08 0.00 -1.44 0.00 0.00 39.64 39.67 1h0r n ILE 120 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1h0r s ALA 121 N -1.73 2.39 0.03 -1.28 0.00 -0.80 -4.89 121.76 115.48 1h0r s ALA 121 Ca 0.13 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 1h0r s ALA 121 Cb 0.12 -3.19 -0.15 0.00 0.00 0.00 0.00 23.12 19.89 1h0r s ALA 121 CO 0.35 -1.56 1.37 1.15 0.00 0.00 0.00 175.76 177.08 1h0r h THR 122 N -0.97 1.32 -3.15 0.00 2.02 -1.23 -3.48 112.91 107.42 1h0r h THR 122 Ca -0.45 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 65.66 1h0r h THR 122 Cb 1.23 1.83 -0.05 0.00 -1.74 0.00 0.00 68.15 69.43 1h0r h THR 122 CO 0.55 0.31 0.16 -0.83 0.37 0.00 0.00 175.52 176.09 1h0r s GLY 123 N -3.20 0.16 -0.01 2.16 0.00 -1.21 -5.06 107.32 100.16 1h0r s GLY 123 Ca -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1h0r s GLY 123 CO 0.72 -0.25 -0.01 0.14 0.00 0.00 0.00 173.10 173.70 1h0r s VAL 124 N -3.61 0.14 -0.11 1.40 1.01 -1.26 -1.67 120.40 116.29 1h0r s VAL 124 Ca 0.14 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1h0r s VAL 124 Cb -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1h0r s VAL 124 CO 0.09 0.09 -0.13 -0.63 0.00 0.00 0.00 175.10 174.52 1h0r s ILE 125 N 0.49 1.33 0.03 2.22 1.01 -0.16 -4.97 121.20 121.15 1h0r s ILE 125 Ca -0.05 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1h0r s ILE 125 Cb -0.07 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1h0r s ILE 125 CO -0.01 0.41 -0.11 0.68 0.00 0.00 0.00 174.94 175.91 1h0r s VAL 126 N 1.18 0.83 0.00 2.92 -7.23 -1.26 -0.75 120.40 116.08 1h0r s VAL 126 Ca -0.04 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1h0r s VAL 126 Cb -0.14 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.01 1h0r s VAL 126 CO -0.04 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 1h0r n GLY 127 N 1.91 0.48 1.82 2.32 0.00 -0.81 -4.81 105.19 106.11 1h0r n GLY 127 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.91 1h0r n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h0r n LEU 128 N 0.00 5.47 0.00 0.99 4.77 -1.23 -4.66 117.00 122.33 1h0r n LEU 128 Ca 0.00 -2.77 0.00 0.00 -0.03 0.00 0.00 56.01 53.21 1h0r n LEU 128 Cb 0.09 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1h0r n LEU 128 CO 0.00 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1h0r n GLY 129 N 0.74 0.81 0.23 -0.72 0.00 -0.83 -3.16 105.19 102.27 1h0r n GLY 129 Ca 0.27 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1h0r n GLY 129 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1h0r h ILE 130 N 0.00 0.85 -0.06 -0.61 5.03 -1.90 -2.62 117.51 118.20 1h0r h ILE 130 Ca 0.00 -0.84 0.02 0.00 -0.12 0.00 0.00 64.86 63.91 1h0r h ILE 130 Cb 0.00 1.50 -0.00 0.00 -3.03 0.00 0.00 36.82 35.29 1h0r h ILE 130 CO 0.00 0.21 0.05 1.56 -0.68 0.00 0.00 178.15 179.29 1h0r h GLN 131 N 0.00 0.00 -0.92 2.37 1.08 -1.97 -2.09 115.11 113.58 1h0r h GLN 131 Ca -0.00 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.41 1h0r h GLN 131 Cb 0.48 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.79 1h0r h GLN 131 CO 0.03 0.00 0.45 0.78 -0.95 0.00 0.00 178.83 179.14 1h0r h GLY 132 N 0.00 1.60 0.88 3.46 0.00 -1.47 0.14 103.07 107.68 1h0r h GLY 132 Ca 0.03 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.16 1h0r h GLY 132 CO -0.00 -0.23 0.19 -0.97 0.00 0.00 0.00 176.54 175.53 1h0r h TYR 133 N 0.48 0.36 -0.95 5.60 0.05 -1.60 -0.76 116.97 120.15 1h0r h TYR 133 Ca 0.57 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.35 1h0r h TYR 133 Cb 1.04 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.63 1h0r h TYR 133 CO -0.10 0.20 0.56 -0.07 -1.05 0.00 0.00 178.16 177.71 1h0r h LEU 134 N 0.39 1.14 -0.57 3.88 3.38 -1.26 -1.63 115.31 120.64 1h0r h LEU 134 Ca 0.14 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1h0r h LEU 134 Cb 0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1h0r h LEU 134 CO -0.08 0.88 -0.53 -0.07 0.09 0.00 0.00 178.44 178.73 1h0r h LEU 135 N 1.31 0.55 -1.00 1.67 3.38 -0.54 -2.07 115.31 118.61 1h0r h LEU 135 Ca 0.34 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1h0r h LEU 135 Cb -0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1h0r h LEU 135 CO -0.06 0.98 0.34 0.00 0.09 0.00 0.00 178.44 179.79 1h0r h ALA 136 N 1.03 1.21 -0.54 1.53 0.00 -0.91 -1.31 119.26 120.27 1h0r h ALA 136 Ca 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1h0r h ALA 136 Cb 1.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1h0r h ALA 136 CO 0.10 0.59 0.20 -0.07 0.00 0.00 0.00 179.25 180.07 1h0r h LEU 137 N 1.05 0.72 -0.34 0.00 3.38 -0.64 -2.49 115.31 116.98 1h0r h LEU 137 Ca 0.25 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 1h0r h LEU 137 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1h0r h LEU 137 CO -0.03 0.67 -0.77 -0.09 0.09 0.00 0.00 178.44 178.31 1h0r h ARG 138 N 0.78 0.44 -0.05 1.13 2.43 -0.76 -1.62 114.38 116.73 1h0r h ARG 138 Ca 0.18 -0.38 0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1h0r h ARG 138 Cb 0.19 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1h0r h ARG 138 CO -0.01 1.02 -0.16 -0.92 -1.51 0.00 0.00 179.97 178.38 1h0r h TYR 139 N 0.29 -0.42 -0.52 2.20 3.20 -1.00 -2.07 116.97 118.65 1h0r h TYR 139 Ca -0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1h0r h TYR 139 Cb 1.36 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.80 1h0r h TYR 139 CO 0.05 -0.23 0.23 -0.07 -1.64 0.00 0.00 178.16 176.49 1h0r h LEU 140 N -0.24 0.67 -0.95 2.82 3.38 -1.02 -1.52 115.31 118.45 1h0r h LEU 140 Ca 0.07 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1h0r h LEU 140 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1h0r h LEU 140 CO -0.19 0.59 -0.30 0.00 0.09 0.00 0.00 178.44 178.64 1h0r h ALA 141 N 1.51 1.11 0.00 1.53 0.00 -1.22 -2.67 119.26 119.52 1h0r h ALA 141 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1h0r h ALA 141 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1h0r h ALA 141 CO -0.02 0.56 -0.17 0.93 0.00 0.00 0.00 179.25 180.55 1h0r h GLU 142 N 0.35 0.00 -1.54 0.00 4.39 -0.90 -3.33 114.58 113.56 1h0r h GLU 142 Ca 0.05 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.04 1h0r h GLU 142 Cb 0.70 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.05 1h0r h GLU 142 CO 0.05 0.00 0.65 0.72 -1.16 0.00 0.00 179.01 179.27 1h0r n HIS 143 N -2.70 3.10 -1.19 4.33 8.25 -0.62 -5.10 115.22 121.29 1h0r n HIS 143 Ca 0.04 -2.63 0.00 0.00 -0.26 0.00 0.00 57.72 54.87 1h0r n HIS 143 Cb 0.49 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.53 1h0r n HIS 143 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31