#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i24 s PHE 3 N 0.00 3.05 -0.07 0.00 5.36 -1.26 -4.95 117.98 120.10 3i24 s PHE 3 Ca 0.00 1.32 -0.03 0.00 -0.96 0.00 0.00 56.93 57.26 3i24 s PHE 3 Cb 0.00 -3.71 0.04 0.00 -0.34 0.00 0.00 43.02 39.01 3i24 s PHE 3 CO 0.00 -2.04 0.15 -0.65 -1.46 0.00 0.00 175.22 171.22 3i24 s GLN 4 N -1.41 0.08 0.21 10.12 1.11 -1.26 -5.06 119.66 123.46 3i24 s GLN 4 Ca 0.52 0.42 -0.32 0.00 0.01 0.00 0.00 55.36 55.99 3i24 s GLN 4 Cb -0.40 -0.20 -0.13 0.00 -1.01 0.00 0.00 33.01 31.27 3i24 s GLN 4 CO 0.50 -0.20 1.54 -0.11 0.01 0.00 0.00 175.29 177.03 3i24 n LEU 5 N 4.47 3.37 -4.73 2.90 7.94 -1.26 -4.88 117.00 124.81 3i24 n LEU 5 Ca -0.21 1.11 -0.42 0.00 -1.11 0.00 0.00 56.01 55.37 3i24 n LEU 5 Cb 0.51 -1.47 -0.01 0.00 0.53 0.00 0.00 43.42 42.99 3i24 n LEU 5 CO 0.15 -0.25 1.05 1.57 -1.11 0.00 0.00 177.39 178.80 3i24 n HIS 6 N 2.77 2.61 -0.20 1.96 -0.00 -1.26 -4.82 115.22 116.28 3i24 n HIS 6 Ca 0.14 0.45 0.11 0.00 -0.00 0.00 0.00 57.72 58.42 3i24 n HIS 6 Cb 0.31 -2.49 0.41 0.00 -0.00 0.00 0.00 29.99 28.22 3i24 n HIS 6 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3i24 h PRO 7 N 3.28 0.60 -0.52 1.57 0.13 -1.99 -1.76 132.00 133.31 3i24 h PRO 7 Ca -0.48 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 3i24 h PRO 7 Cb 1.26 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3i24 h PRO 7 CO 0.68 0.40 -0.10 -0.09 -0.23 0.00 0.00 178.00 178.66 3i24 h ARG 8 N 0.62 0.97 -0.17 0.86 9.65 -1.99 -1.10 114.38 123.22 3i24 h ARG 8 Ca 0.37 -0.35 -0.15 0.00 -1.10 0.00 0.00 59.98 58.76 3i24 h ARG 8 Cb 0.60 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3i24 h ARG 8 CO -0.14 1.02 -0.51 -0.07 2.80 0.00 0.00 179.97 183.06 3i24 h LEU 9 N 0.87 0.52 -0.70 3.80 3.38 -1.75 -1.83 115.31 119.60 3i24 h LEU 9 Ca 0.14 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3i24 h LEU 9 Cb 0.65 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3i24 h LEU 9 CO 0.04 0.94 0.23 -0.61 0.09 0.00 0.00 178.44 179.13 3i24 h GLN 10 N 0.37 1.08 -0.22 1.13 5.75 -1.10 -1.66 115.11 120.47 3i24 h GLN 10 Ca 0.01 -0.23 -0.18 0.00 -0.15 0.00 0.00 58.65 58.11 3i24 h GLN 10 Cb 1.02 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.41 3i24 h GLN 10 CO 0.09 0.93 -0.57 1.96 -2.65 0.00 0.00 178.83 178.59 3i24 h GLN 11 N 1.03 0.70 0.00 1.69 1.08 -1.04 -3.26 115.11 115.31 3i24 h GLN 11 Ca 0.23 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 3i24 h GLN 11 Cb 0.29 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3i24 h GLN 11 CO -0.01 1.08 -0.27 -0.25 -0.95 0.00 0.00 178.83 178.43 3i24 n ASP 12 N -3.97 0.27 -4.31 1.46 8.00 -0.70 -4.95 116.55 112.35 3i24 n ASP 12 Ca -0.04 0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.37 3i24 n ASP 12 Cb 0.63 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 3i24 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i24 s ILE 14 N -3.48 3.19 -0.15 0.00 1.01 0.05 -4.81 121.20 117.01 3i24 s ILE 14 Ca 0.35 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 3i24 s ILE 14 Cb 0.07 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 3i24 s ILE 14 CO 0.15 0.50 1.11 -0.69 0.00 0.00 0.00 174.94 176.01 3i24 s VAL 15 N 0.55 4.55 -0.13 2.92 1.01 -1.26 -0.99 120.40 127.05 3i24 s VAL 15 Ca -0.07 1.85 -0.13 0.00 0.00 0.00 0.00 61.98 63.63 3i24 s VAL 15 Cb -0.15 -4.19 -0.25 0.00 0.00 0.00 0.00 36.38 31.78 3i24 s VAL 15 CO 0.03 -0.09 0.42 -0.07 0.00 0.00 0.00 175.10 175.40 3i24 h LEU 16 N 8.92 0.34 0.00 3.92 3.38 -1.16 -3.45 115.31 127.25 3i24 h LEU 16 Ca -0.26 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 56.87 3i24 h LEU 16 Cb 1.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3i24 h LEU 16 CO 0.93 1.70 0.00 0.61 0.09 0.00 0.00 178.44 181.77 3i24 n GLY 17 N 1.79 -1.59 3.24 0.83 0.00 -1.16 -1.73 105.19 106.57 3i24 n GLY 17 Ca -0.29 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 3i24 n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i24 s ASN 18 N -2.85 3.51 0.76 1.61 0.01 0.48 -0.46 114.94 118.00 3i24 s ASN 18 Ca 0.00 -0.50 -0.07 0.00 -0.71 0.00 0.00 52.86 51.58 3i24 s ASN 18 Cb 0.00 -1.53 0.11 0.00 0.41 0.00 0.00 41.25 40.24 3i24 s ASN 18 CO 0.00 0.09 1.07 -0.76 -1.51 0.00 0.00 177.10 175.99 3i24 s LEU 19 N 0.77 2.85 0.29 0.60 1.43 0.40 -0.68 118.68 124.34 3i24 s LEU 19 Ca -0.07 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 3i24 s LEU 19 Cb -0.16 -2.65 0.68 0.00 0.03 0.00 0.00 46.19 44.10 3i24 s LEU 19 CO 0.00 -1.89 1.75 -0.65 0.23 0.00 0.00 176.35 175.79 3i24 h PRO 20 N -0.78 0.60 0.00 1.29 0.11 -1.84 -3.32 132.00 128.05 3i24 h PRO 20 Ca -0.42 -0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.34 3i24 h PRO 20 Cb 1.29 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 3i24 h PRO 20 CO 0.50 0.40 -2.06 -0.11 -0.21 0.00 0.00 178.00 176.52 3i24 n LEU 21 N -4.88 1.48 -4.81 2.35 7.94 -1.26 -4.97 117.00 112.85 3i24 n LEU 21 Ca 0.21 0.20 -0.37 0.00 -1.11 0.00 0.00 56.01 54.95 3i24 n LEU 21 Cb 0.56 -0.56 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3i24 n LEU 21 CO 0.19 0.43 -0.09 0.00 -1.11 0.00 0.00 177.39 176.81 3i24 s LYS 23 N -0.39 4.76 -0.20 0.00 2.20 0.02 -0.45 119.74 125.68 3i24 s LYS 23 Ca 0.15 1.54 -0.05 0.00 -0.36 0.00 0.00 55.97 57.25 3i24 s LYS 23 Cb -0.13 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 3i24 s LYS 23 CO 0.04 0.41 -0.01 0.08 -0.36 0.00 0.00 175.35 175.50 3i24 s VAL 24 N -1.24 3.80 0.20 4.02 1.01 0.39 -0.98 120.40 127.60 3i24 s VAL 24 Ca 0.43 -0.36 0.11 0.00 0.00 0.00 0.00 61.98 62.16 3i24 s VAL 24 Cb -0.26 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3i24 s VAL 24 CO 0.33 0.43 -0.23 -0.76 0.00 0.00 0.00 175.10 174.87 3i24 s LEU 25 N 1.03 2.47 -0.18 3.92 1.43 0.19 -0.73 118.68 126.81 3i24 s LEU 25 Ca 0.01 -0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 52.24 3i24 s LEU 25 Cb -0.14 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.90 3i24 s LEU 25 CO 0.01 0.11 -0.15 -0.22 0.23 0.00 0.00 176.35 176.34 3i24 s LEU 26 N -2.76 2.42 0.16 1.79 2.96 -0.16 -1.00 118.68 122.10 3i24 s LEU 26 Ca 0.22 -0.53 -0.31 0.00 -0.22 0.00 0.00 54.13 53.29 3i24 s LEU 26 Cb -0.08 -1.57 -0.09 0.00 0.50 0.00 0.00 46.19 44.96 3i24 s LEU 26 CO 0.11 0.02 1.39 -0.63 -1.32 0.00 0.00 176.35 175.91 3i24 s ILE 27 N 1.19 3.14 0.28 6.68 -1.09 -0.11 -0.77 121.20 130.52 3i24 s ILE 27 Ca 0.02 0.86 0.34 0.00 -2.23 0.00 0.00 60.65 59.65 3i24 s ILE 27 Cb -0.14 -3.55 0.37 0.00 -1.58 0.00 0.00 42.46 37.56 3i24 s ILE 27 CO -0.06 0.09 2.07 0.11 -1.23 0.00 0.00 174.94 175.92 3i24 h LYS 28 N 6.17 0.00 -6.94 2.79 1.57 -1.61 -3.44 116.57 115.11 3i24 h LYS 28 Ca -0.43 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.79 3i24 h LYS 28 Cb 1.21 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.65 3i24 h LYS 28 CO 0.83 0.04 0.56 0.39 -0.57 0.00 0.00 179.45 180.70 3i24 n GLU 29 N -3.21 1.87 -1.66 3.15 1.02 -1.26 -1.00 120.64 119.56 3i24 n GLU 29 Ca -0.01 0.67 -0.41 0.00 -0.02 0.00 0.00 57.16 57.40 3i24 n GLU 29 Cb 0.26 -2.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.17 3i24 n GLU 29 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3i24 n ASP 30 N -0.36 5.21 -3.52 1.62 2.03 -0.25 -4.40 116.55 116.88 3i24 n ASP 30 Ca 0.08 -2.79 -0.16 0.00 0.52 0.00 0.00 54.79 52.44 3i24 n ASP 30 Cb 0.42 -1.62 -0.05 0.00 -0.72 0.00 0.00 41.12 39.15 3i24 n ASP 30 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3i24 s ILE 31 N 2.74 0.01 0.00 5.18 2.07 -1.26 -4.89 121.20 125.05 3i24 s ILE 31 Ca 0.52 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.71 3i24 s ILE 31 Cb 0.15 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.76 3i24 s ILE 31 CO -0.08 -0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.53 3i24 n GLY 32 N 0.57 0.46 3.58 1.50 0.00 -1.26 -3.43 105.19 106.61 3i24 n GLY 32 Ca -0.19 -1.32 -0.45 0.00 0.00 0.00 0.00 46.02 44.07 3i24 n GLY 32 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i24 n PRO 33 N 0.00 1.32 -3.92 1.61 -0.02 -1.26 -4.63 135.00 128.10 3i24 n PRO 33 Ca 0.00 0.46 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 3i24 n PRO 33 Cb 0.00 -1.82 -0.14 0.00 -0.02 0.00 0.00 33.50 31.52 3i24 n PRO 33 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3i24 s TRP 34 N -1.04 3.34 0.24 6.00 -0.11 -1.22 -1.26 118.94 124.89 3i24 s TRP 34 Ca 0.59 -2.07 0.08 0.00 1.22 0.00 0.00 56.10 55.91 3i24 s TRP 34 Cb -0.71 -2.28 -0.04 0.00 -1.50 0.00 0.00 33.47 28.94 3i24 s TRP 34 CO 0.60 -0.84 0.10 -0.51 -4.62 0.00 0.00 176.95 171.68 3i24 s LEU 35 N 1.20 3.56 -0.03 5.86 1.43 0.46 -0.93 118.68 130.23 3i24 s LEU 35 Ca -0.03 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3i24 s LEU 35 Cb -0.20 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 43.93 3i24 s LEU 35 CO -0.02 -0.00 -0.02 -0.63 0.23 0.00 0.00 176.35 175.91 3i24 s ILE 36 N -2.11 0.30 -0.17 -0.59 1.01 -0.17 -0.24 121.20 119.23 3i24 s ILE 36 Ca 0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.89 3i24 s ILE 36 Cb -0.08 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 3i24 s ILE 36 CO 0.22 0.16 0.05 -0.76 0.00 0.00 0.00 174.94 174.62 3i24 s LEU 37 N 0.85 3.78 -0.28 2.97 1.02 -0.34 -0.64 118.68 126.03 3i24 s LEU 37 Ca -0.09 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.15 3i24 s LEU 37 Cb -0.13 -1.95 0.08 0.00 0.02 0.00 0.00 46.19 44.22 3i24 s LEU 37 CO -0.01 0.19 0.00 -0.69 0.02 0.00 0.00 176.35 175.86 3i24 s VAL 38 N 0.26 1.67 0.09 -1.59 1.01 -0.15 -0.43 120.40 121.26 3i24 s VAL 38 Ca 0.03 -1.62 -0.33 0.00 0.00 0.00 0.00 61.98 60.06 3i24 s VAL 38 Cb -0.12 -2.07 -0.12 0.00 0.00 0.00 0.00 36.38 34.06 3i24 s VAL 38 CO 0.00 -0.35 1.73 -2.65 0.00 0.00 0.00 175.10 173.83 3i24 n PRO 39 N 4.56 2.35 -1.59 2.72 -0.02 -1.26 -0.80 135.00 140.97 3i24 n PRO 39 Ca -0.06 0.85 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 3i24 n PRO 39 Cb 0.43 -2.68 -0.02 0.00 -0.02 0.00 0.00 33.50 31.21 3i24 n PRO 39 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i24 n ARG 40 N 4.81 3.95 -3.94 -0.52 1.74 0.08 -4.81 116.66 117.97 3i24 n ARG 40 Ca 0.19 -2.69 -0.14 0.00 -0.77 0.00 0.00 57.85 54.44 3i24 n ARG 40 Cb 0.31 -2.78 -0.15 0.00 -1.02 0.00 0.00 32.46 28.83 3i24 n ARG 40 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i24 s ILE 41 N 1.07 0.13 0.90 0.55 1.01 -1.26 -4.81 121.20 118.78 3i24 s ILE 41 Ca 0.62 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.14 3i24 s ILE 41 Cb 0.18 -0.16 0.13 0.00 0.01 0.00 0.00 42.46 42.62 3i24 s ILE 41 CO -0.07 0.07 1.13 -1.61 0.00 0.00 0.00 174.94 174.46 3i24 s GLU 42 N 0.33 1.25 -0.53 2.79 2.02 -1.26 -4.12 118.70 119.17 3i24 s GLU 42 Ca -0.03 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.30 3i24 s GLU 42 Cb -0.05 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.33 3i24 s GLU 42 CO -0.01 -2.13 0.00 0.39 0.02 0.00 0.00 175.26 173.53 3i24 n GLU 43 N -3.73 -1.04 -3.74 1.61 -0.58 -1.26 -5.00 120.64 106.90 3i24 n GLU 43 Ca 0.07 0.55 -0.36 0.00 -0.42 0.00 0.00 57.16 57.00 3i24 n GLU 43 Cb 0.59 -4.49 -0.10 0.00 -0.57 0.00 0.00 31.44 26.87 3i24 n GLU 43 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3i24 s LEU 44 N -1.14 4.01 0.00 -4.62 1.43 -1.26 -4.88 118.68 112.21 3i24 s LEU 44 Ca 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3i24 s LEU 44 Cb 0.00 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3i24 s LEU 44 CO 0.00 0.08 0.00 0.29 0.23 0.00 0.00 176.35 176.95 3i24 n LYS 45 N 4.15 1.97 -4.13 1.70 5.02 -1.26 -0.92 118.16 124.68 3i24 n LYS 45 Ca -0.15 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.00 3i24 n LYS 45 Cb 0.52 -0.88 -0.11 0.00 -0.02 0.00 0.00 35.03 34.54 3i24 n LYS 45 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3i24 s GLU 46 N -1.62 0.73 0.24 1.97 0.41 -1.26 -4.44 118.70 114.73 3i24 s GLU 46 Ca 0.00 -1.05 -0.06 0.00 -0.41 0.00 0.00 54.97 53.46 3i24 s GLU 46 Cb 0.00 -0.39 0.30 0.00 -1.78 0.00 0.00 34.13 32.26 3i24 s GLU 46 CO 0.00 0.05 1.88 0.82 -0.49 0.00 0.00 175.26 177.53 3i24 h ILE 47 N 3.80 1.14 0.00 -1.63 2.04 -1.98 -1.70 117.51 119.18 3i24 h ILE 47 Ca -0.36 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3i24 h ILE 47 Cb 1.19 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3i24 h ILE 47 CO 0.51 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.86 3i24 n HIS 48 N -4.52 0.00 0.18 1.37 1.44 -1.26 -1.75 115.22 110.68 3i24 n HIS 48 Ca 0.12 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.89 3i24 n HIS 48 Cb 0.11 -0.15 0.16 0.00 0.12 0.00 0.00 29.99 30.22 3i24 n HIS 48 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3i24 h HIS 49 N 0.00 0.00 -4.26 -1.40 3.86 -1.71 -3.45 115.15 108.19 3i24 h HIS 49 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 3i24 h HIS 49 Cb 0.07 0.00 0.07 0.00 1.06 0.00 0.00 27.41 28.60 3i24 h HIS 49 CO 0.00 0.33 0.38 -1.64 0.86 0.00 0.00 177.93 177.86 3i24 s MET 50 N -3.17 3.34 0.87 2.45 -1.94 -0.71 -5.02 119.30 115.12 3i24 s MET 50 Ca 0.04 1.02 -0.12 0.00 -1.71 0.00 0.00 55.69 54.92 3i24 s MET 50 Cb 0.08 -2.04 0.12 0.00 2.01 0.00 0.00 34.83 34.99 3i24 s MET 50 CO 0.70 -0.78 1.09 0.95 -0.01 0.00 0.00 175.02 176.98 3i24 s THR 51 N -2.77 2.73 0.24 2.05 -4.23 -1.26 -4.74 115.64 107.66 3i24 s THR 51 Ca 0.60 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 61.29 3i24 s THR 51 Cb -0.14 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 71.14 3i24 s THR 51 CO 0.44 -0.31 1.86 0.44 -0.54 0.00 0.00 174.62 176.51 3i24 h ASP 52 N -1.44 0.88 -0.54 3.99 3.32 -1.96 0.40 116.42 121.07 3i24 h ASP 52 Ca -0.49 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 3i24 h ASP 52 Cb 1.28 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3i24 h ASP 52 CO 0.56 0.57 0.06 -0.33 -1.72 0.00 0.00 179.24 178.38 3i24 h GLU 53 N 1.02 0.96 -0.26 3.56 5.08 -2.00 -1.92 114.58 121.02 3i24 h GLU 53 Ca 0.38 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3i24 h GLU 53 Cb 0.15 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3i24 h GLU 53 CO -0.17 0.91 -0.37 1.96 -1.00 0.00 0.00 179.01 180.35 3i24 h GLN 54 N 0.90 0.59 -0.53 2.33 4.20 -1.69 -2.09 115.11 118.81 3i24 h GLN 54 Ca 0.18 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 3i24 h GLN 54 Cb 0.44 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3i24 h GLN 54 CO 0.02 0.87 0.04 1.96 -0.67 0.00 0.00 178.83 181.04 3i24 h GLN 55 N 0.49 0.87 -0.45 1.46 4.20 -0.61 0.48 115.11 121.56 3i24 h GLN 55 Ca 0.05 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 3i24 h GLN 55 Cb 0.86 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3i24 h GLN 55 CO 0.07 0.85 -0.08 0.82 -0.67 0.00 0.00 178.83 179.82 3i24 h ILE 56 N 0.82 1.27 -0.53 2.54 2.04 -1.16 -0.83 117.51 121.66 3i24 h ILE 56 Ca 0.16 -1.18 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 3i24 h ILE 56 Cb 0.43 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3i24 h ILE 56 CO 0.02 0.40 0.02 -0.61 0.00 0.00 0.00 178.15 177.98 3i24 h GLN 57 N 0.68 0.88 0.03 2.37 5.75 -1.07 -2.40 115.11 121.34 3i24 h GLN 57 Ca 0.12 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3i24 h GLN 57 Cb 0.61 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.06 3i24 h GLN 57 CO 0.04 0.86 -0.02 0.35 -2.65 0.00 0.00 178.83 177.42 3i24 h PHE 58 N 0.82 -0.04 -0.18 3.99 3.57 -0.59 -1.83 116.94 122.67 3i24 h PHE 58 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3i24 h PHE 58 Cb 0.46 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3i24 h PHE 58 CO 0.03 0.15 -0.03 0.97 -2.23 0.00 0.00 178.31 177.19 3i24 h ILE 59 N -0.22 1.14 -0.43 1.41 6.09 -1.07 0.21 117.51 124.64 3i24 h ILE 59 Ca -0.00 -0.56 -0.14 0.00 -1.37 0.00 0.00 64.86 62.79 3i24 h ILE 59 Cb 0.20 1.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 3i24 h ILE 59 CO 0.01 0.18 -0.26 0.11 -3.07 0.00 0.00 178.15 175.12 3i24 h LYS 60 N 0.26 0.94 -0.38 2.19 1.57 -1.29 -1.20 116.57 118.66 3i24 h LYS 60 Ca 0.06 -0.43 -0.13 0.00 -1.87 0.00 0.00 60.65 58.27 3i24 h LYS 60 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3i24 h LYS 60 CO 0.01 1.09 -0.28 0.93 -0.57 0.00 0.00 179.45 180.63 3i24 h GLU 61 N 0.77 0.86 -0.18 3.15 5.08 -0.56 -1.63 114.58 122.06 3i24 h GLU 61 Ca 0.09 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3i24 h GLU 61 Cb 0.84 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3i24 h GLU 61 CO 0.07 1.07 0.03 1.03 -1.00 0.00 0.00 179.01 180.21 3i24 h SER 62 N 0.67 -0.00 -0.15 1.42 0.87 -0.51 -1.08 113.55 114.77 3i24 h SER 62 Ca 0.07 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 3i24 h SER 62 Cb 0.86 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 3i24 h SER 62 CO 0.08 0.03 -0.18 0.28 -0.53 0.00 0.00 176.83 176.51 3i24 h SER 63 N 0.10 0.54 -0.57 6.23 0.02 -1.16 0.41 113.55 119.12 3i24 h SER 63 Ca 0.08 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 3i24 h SER 63 Cb 0.08 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3i24 h SER 63 CO -0.12 0.74 0.02 0.00 -1.14 0.00 0.00 176.83 176.33 3i24 h ALA 64 N 1.32 0.92 -0.22 3.77 0.00 -0.94 0.75 119.26 124.84 3i24 h ALA 64 Ca 0.08 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 3i24 h ALA 64 Cb 0.59 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i24 h ALA 64 CO 0.04 0.65 -0.59 0.28 0.00 0.00 0.00 179.25 179.63 3i24 h VAL 65 N 0.94 1.30 -0.69 0.00 2.07 -0.89 -1.80 116.25 117.18 3i24 h VAL 65 Ca 0.17 -1.81 -0.08 0.00 0.82 0.00 0.00 66.70 65.80 3i24 h VAL 65 Cb 0.51 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3i24 h VAL 65 CO 0.02 0.58 0.13 0.00 0.02 0.00 0.00 177.57 178.32 3i24 h ALA 66 N 0.78 0.92 -0.43 1.67 0.00 -0.65 -1.13 119.26 120.43 3i24 h ALA 66 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3i24 h ALA 66 Cb 1.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3i24 h ALA 66 CO 0.12 0.67 -0.02 0.37 0.00 0.00 0.00 179.25 180.40 3i24 h GLN 67 N 1.06 0.70 -0.58 0.00 5.75 -0.77 -0.91 115.11 120.36 3i24 h GLN 67 Ca 0.21 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 3i24 h GLN 67 Cb 0.42 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 3i24 h GLN 67 CO 0.01 0.73 0.16 1.25 -2.65 0.00 0.00 178.83 178.32 3i24 h LEU 68 N 0.66 0.87 -0.62 -2.39 6.46 -0.79 0.43 115.31 119.92 3i24 h LEU 68 Ca 0.13 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 3i24 h LEU 68 Cb 0.43 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 3i24 h LEU 68 CO 0.02 0.86 0.22 -0.07 -0.62 0.00 0.00 178.44 178.85 3i24 h LEU 69 N 0.83 0.89 -0.25 2.25 3.38 -0.72 -1.17 115.31 120.52 3i24 h LEU 69 Ca 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3i24 h LEU 69 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3i24 h LEU 69 CO -0.00 0.84 0.09 -0.08 0.09 0.00 0.00 178.44 179.39 3i24 h GLU 70 N 0.88 0.38 -0.10 1.13 4.81 -0.88 -1.05 114.58 119.75 3i24 h GLU 70 Ca 0.20 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3i24 h GLU 70 Cb 0.26 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3i24 h GLU 70 CO -0.01 0.43 -0.49 -0.44 -0.73 0.00 0.00 179.01 177.77 3i24 h ASP 71 N 0.25 0.28 0.24 1.04 3.32 -0.78 -1.88 116.42 118.89 3i24 h ASP 71 Ca 0.08 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3i24 h ASP 71 Cb 0.20 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3i24 h ASP 71 CO -0.01 0.73 -1.75 0.59 -1.72 0.00 0.00 179.24 177.08 3i24 n ASN 72 N -3.96 0.21 0.00 6.45 4.13 -0.46 -4.58 115.26 117.05 3i24 n ASN 72 Ca -0.02 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.32 3i24 n ASN 72 Cb 0.54 1.61 0.00 0.00 -1.54 0.00 0.00 39.78 40.39 3i24 n ASN 72 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3i24 n PHE 73 N -2.36 0.00 -4.15 3.10 3.72 -0.40 -5.04 117.46 112.32 3i24 n PHE 73 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 3i24 n PHE 73 Cb 0.56 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.09 3i24 n PHE 73 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3i24 n SER 74 N -0.56 -2.75 -4.75 4.37 7.64 -0.71 -4.90 113.62 111.97 3i24 n SER 74 Ca 0.00 -1.31 -0.31 0.00 1.01 0.00 0.00 58.87 58.26 3i24 n SER 74 Cb 0.02 -1.60 0.11 0.00 -1.01 0.00 0.00 64.21 61.72 3i24 n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3i24 s PRO 75 N -7.47 2.00 0.38 1.43 0.04 -1.26 -4.92 135.00 125.19 3i24 s PRO 75 Ca 0.37 1.28 0.19 0.00 0.04 0.00 0.00 61.00 62.87 3i24 s PRO 75 Cb -0.20 -1.86 0.68 0.00 0.04 0.00 0.00 34.50 33.16 3i24 s PRO 75 CO 0.98 -1.85 1.73 -0.44 0.04 0.00 0.00 177.00 177.47 3i24 h ASP 76 N -1.22 0.00 -4.40 6.66 3.32 -1.04 -3.46 116.42 116.29 3i24 h ASP 76 Ca -0.44 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.65 3i24 h ASP 76 Cb 1.24 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.58 3i24 h ASP 76 CO 0.49 0.37 0.44 -0.75 -1.72 0.00 0.00 179.24 178.07 3i24 s LYS 77 N -3.61 0.74 -0.06 3.56 2.47 -1.10 -5.03 119.74 116.71 3i24 s LYS 77 Ca 0.00 0.16 0.00 0.00 -1.56 0.00 0.00 55.97 54.58 3i24 s LYS 77 Cb 0.11 0.35 -0.03 0.00 -1.46 0.00 0.00 37.83 36.80 3i24 s LYS 77 CO 0.69 -0.23 -0.04 0.42 0.16 0.00 0.00 175.35 176.34 3i24 s ILE 78 N -1.20 3.95 -0.06 5.43 1.01 -1.26 -0.07 121.20 128.99 3i24 s ILE 78 Ca -0.04 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.22 3i24 s ILE 78 Cb -0.00 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 3i24 s ILE 78 CO 0.04 0.56 -0.24 0.20 0.00 0.00 0.00 174.94 175.49 3i24 s ASN 79 N -0.98 3.00 -0.05 3.58 0.01 -0.28 -4.96 114.94 115.26 3i24 s ASN 79 Ca 0.14 -0.51 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 3i24 s ASN 79 Cb -0.11 -0.91 -0.00 0.00 0.41 0.00 0.00 41.25 40.64 3i24 s ASN 79 CO 0.03 0.22 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.05 3i24 s ILE 80 N -0.07 1.45 -0.20 0.60 1.01 -1.26 -0.59 121.20 122.13 3i24 s ILE 80 Ca -0.06 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 3i24 s ILE 80 Cb -0.14 -1.25 0.05 0.00 0.01 0.00 0.00 42.46 41.13 3i24 s ILE 80 CO 0.04 0.42 0.54 -0.83 0.00 0.00 0.00 174.94 175.11 3i24 s GLY 81 N 0.11 -0.41 -0.36 6.18 0.00 -0.52 -4.97 107.32 107.35 3i24 s GLY 81 Ca -0.06 1.56 0.02 0.00 0.00 0.00 0.00 44.72 46.24 3i24 s GLY 81 CO 0.03 1.37 0.09 0.00 0.00 0.00 0.00 173.10 174.59 3i24 s ALA 82 N 0.39 2.97 0.00 3.20 0.00 -1.26 -0.26 121.76 126.80 3i24 s ALA 82 Ca -0.01 -2.51 0.00 0.00 0.00 0.00 0.00 51.96 49.44 3i24 s ALA 82 Cb -0.04 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.98 3i24 s ALA 82 CO -0.01 -1.71 0.00 1.28 0.00 0.00 0.00 175.76 175.33 3i24 n LEU 83 N 4.37 0.00 -2.44 0.00 4.77 -1.26 -5.05 117.00 117.39 3i24 n LEU 83 Ca 0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 3i24 n LEU 83 Cb 0.42 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 3i24 n LEU 83 CO 0.25 0.00 0.04 0.61 -1.33 0.00 0.00 177.39 176.97 3i24 n GLY 84 N 3.25 -0.21 0.21 -0.72 0.00 -1.26 -4.92 105.19 101.53 3i24 n GLY 84 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3i24 n GLY 84 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i24 h ASN 85 N -1.29 0.00 0.00 1.61 2.35 -1.98 -3.27 115.58 113.00 3i24 h ASN 85 Ca -0.41 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.11 3i24 h ASN 85 Cb 1.28 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.60 3i24 h ASN 85 CO 0.43 0.30 -1.91 0.18 -1.65 0.00 0.00 177.43 174.77 3i24 n LEU 86 N -3.85 0.00 -4.17 1.61 4.77 -1.26 -4.87 117.00 109.23 3i24 n LEU 86 Ca -0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 3i24 n LEU 86 Cb 0.38 0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.66 3i24 n LEU 86 CO 0.36 0.31 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.82 3i24 s VAL 87 N -2.38 3.39 0.43 4.08 1.01 -1.23 -5.00 120.40 120.70 3i24 s VAL 87 Ca -0.07 -1.70 0.12 0.00 0.00 0.00 0.00 61.98 60.33 3i24 s VAL 87 Cb 0.04 -3.15 0.31 0.00 0.00 0.00 0.00 36.38 33.58 3i24 s VAL 87 CO 0.56 -0.47 2.02 1.55 0.00 0.00 0.00 175.10 178.76 3i24 h PRO 88 N 8.10 0.41 -6.28 2.72 0.13 -1.90 -3.41 132.00 131.77 3i24 h PRO 88 Ca -0.17 -0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.39 3i24 h PRO 88 Cb 1.06 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.11 3i24 h PRO 88 CO 0.65 0.27 1.26 -1.14 -0.23 0.00 0.00 178.00 178.81 3i24 s GLN 89 N -5.39 3.96 -0.13 0.86 0.74 -1.26 -4.22 119.66 114.22 3i24 s GLN 89 Ca -0.08 2.43 -0.37 0.00 0.05 0.00 0.00 55.36 57.40 3i24 s GLN 89 Cb 0.19 -4.18 -0.14 0.00 1.10 0.00 0.00 33.01 29.98 3i24 s GLN 89 CO 0.74 -1.15 1.72 -0.11 -0.55 0.00 0.00 175.29 175.93 3i24 n LEU 90 N 8.24 2.69 -3.77 3.68 0.00 -0.09 -4.97 117.00 122.79 3i24 n LEU 90 Ca 0.21 1.05 -0.13 0.00 0.00 0.00 0.00 56.01 57.14 3i24 n LEU 90 Cb 0.42 -1.25 -0.11 0.00 0.00 0.00 0.00 43.42 42.48 3i24 n LEU 90 CO 0.67 -0.38 -0.02 -1.38 0.00 0.00 0.00 177.39 176.28 3i24 s HIS 91 N 3.05 -0.34 -0.22 1.96 -3.43 -1.26 -4.24 115.29 110.82 3i24 s HIS 91 Ca 0.93 0.83 -0.01 0.00 -0.80 0.00 0.00 55.06 56.01 3i24 s HIS 91 Cb -0.90 0.12 0.02 0.00 -1.43 0.00 0.00 32.58 30.39 3i24 s HIS 91 CO 0.56 -0.17 -0.10 0.42 -2.00 0.00 0.00 174.74 173.45 3i24 s ILE 92 N 0.16 2.72 0.22 -5.38 1.09 0.43 -4.43 121.20 116.01 3i24 s ILE 92 Ca -0.00 -0.88 -0.30 0.00 -1.10 0.00 0.00 60.65 58.37 3i24 s ILE 92 Cb -0.02 -2.28 -0.09 0.00 -1.06 0.00 0.00 42.46 39.01 3i24 s ILE 92 CO 0.00 0.36 1.17 -1.00 -0.10 0.00 0.00 174.94 175.37 3i24 s HIS 93 N 1.35 3.46 -0.24 3.97 3.76 0.64 -1.20 115.29 127.03 3i24 s HIS 93 Ca 0.03 1.52 -0.01 0.00 -0.15 0.00 0.00 55.06 56.44 3i24 s HIS 93 Cb -0.15 -3.39 0.07 0.00 1.11 0.00 0.00 32.58 30.22 3i24 s HIS 93 CO -0.07 -1.00 0.04 -1.01 -0.85 0.00 0.00 174.74 171.85 3i24 s HIS 94 N -0.43 1.54 -0.08 1.40 3.76 0.67 -1.44 115.29 120.71 3i24 s HIS 94 Ca 0.50 -1.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.11 3i24 s HIS 94 Cb -0.32 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 31.99 3i24 s HIS 94 CO 0.39 -0.73 -0.21 0.42 -0.85 0.00 0.00 174.74 173.75 3i24 s ILE 95 N 1.68 1.80 -0.19 0.60 1.01 0.24 -0.40 121.20 125.93 3i24 s ILE 95 Ca 0.02 -0.88 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 3i24 s ILE 95 Cb -0.17 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 3i24 s ILE 95 CO -0.13 0.50 0.90 0.00 0.00 0.00 0.00 174.94 176.21 3i24 s ALA 96 N 0.28 3.58 0.07 9.38 0.00 -0.39 -1.12 121.76 133.56 3i24 s ALA 96 Ca -0.14 0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.93 3i24 s ALA 96 Cb -0.16 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3i24 s ALA 96 CO 0.06 -0.81 0.01 1.03 0.00 0.00 0.00 175.76 176.05 3i24 s ARG 97 N 2.56 2.65 0.01 0.00 1.81 0.89 -4.14 118.95 122.74 3i24 s ARG 97 Ca 0.40 -0.76 0.02 0.00 -1.72 0.00 0.00 55.73 53.67 3i24 s ARG 97 Cb -0.16 -2.60 -0.01 0.00 -0.45 0.00 0.00 34.95 31.73 3i24 s ARG 97 CO 0.10 0.56 -0.07 -0.06 -0.68 0.00 0.00 175.30 175.16 3i24 s PHE 98 N -1.27 0.58 0.64 -0.53 0.08 -1.26 -0.35 117.98 115.87 3i24 s PHE 98 Ca 0.25 -0.21 0.36 0.00 0.12 0.00 0.00 56.93 57.44 3i24 s PHE 98 Cb -0.12 -0.36 1.98 0.00 -0.57 0.00 0.00 43.02 43.95 3i24 s PHE 98 CO 0.17 -0.03 2.17 1.79 -0.10 0.00 0.00 175.22 179.23 3i24 h THR 99 N 4.86 0.16 -0.02 0.64 1.35 -1.99 -0.04 112.91 117.87 3i24 h THR 99 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3i24 h THR 99 Cb 1.19 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3i24 h THR 99 CO 0.47 0.00 -0.18 0.35 -0.25 0.00 0.00 175.52 175.91 3i24 n THR 100 N -3.26 0.00 -1.81 6.82 -2.24 -1.26 -4.80 114.28 107.73 3i24 n THR 100 Ca -0.02 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 3i24 n THR 100 Cb 0.22 0.95 0.04 0.00 -2.10 0.00 0.00 70.33 69.44 3i24 n THR 100 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3i24 s ASP 101 N -2.24 5.41 0.59 3.42 1.47 -0.03 -4.91 116.67 120.39 3i24 s ASP 101 Ca 0.27 1.83 0.34 0.00 1.18 0.00 0.00 52.55 56.17 3i24 s ASP 101 Cb 0.20 -2.53 1.83 0.00 -0.34 0.00 0.00 42.92 42.07 3i24 s ASP 101 CO 0.43 -1.42 2.02 -0.37 0.68 0.00 0.00 175.17 176.50 3i24 h VAL 102 N -0.03 0.00 0.00 2.11 -1.51 -1.92 -2.73 116.25 112.18 3i24 h VAL 102 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3i24 h VAL 102 Cb 1.23 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3i24 h VAL 102 CO 0.56 0.00 -1.30 0.00 -1.23 0.00 0.00 177.57 175.60 3i24 n ALA 103 N -1.92 3.48 -1.71 5.19 0.00 -1.26 -4.99 120.51 119.30 3i24 n ALA 103 Ca -0.02 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 3i24 n ALA 103 Cb 0.20 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 3i24 n ALA 103 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3i24 n TRP 104 N -1.75 2.40 0.96 0.00 -0.00 -1.03 -0.64 117.44 117.39 3i24 n TRP 104 Ca 0.00 0.47 0.10 0.00 -0.00 0.00 0.00 57.50 58.07 3i24 n TRP 104 Cb 0.36 -2.46 0.31 0.00 -0.00 0.00 0.00 31.31 29.52 3i24 n TRP 104 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3i24 n PRO 105 N 1.16 1.92 -1.22 5.87 -0.04 -1.26 -4.99 135.00 136.44 3i24 n PRO 105 Ca 0.07 -1.39 -0.22 0.00 -0.04 0.00 0.00 63.50 61.92 3i24 n PRO 105 Cb 0.35 -1.40 0.17 0.00 -0.04 0.00 0.00 33.50 32.57 3i24 n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i24 n GLY 106 N 1.21 -1.83 3.79 0.55 0.00 0.19 -5.03 105.19 104.06 3i24 n GLY 106 Ca 0.16 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 3i24 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i24 s PRO 107 N -5.09 3.11 0.08 1.61 0.04 -1.26 -4.88 135.00 128.61 3i24 s PRO 107 Ca 0.56 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 3i24 s PRO 107 Cb -0.03 -2.00 -0.16 0.00 0.04 0.00 0.00 34.50 32.35 3i24 s PRO 107 CO 0.40 -0.99 1.28 0.28 0.04 0.00 0.00 177.00 178.01 3i24 h VAL 108 N 0.31 1.31 -1.82 -0.36 2.07 -1.94 -3.41 116.25 112.42 3i24 h VAL 108 Ca -0.47 -1.91 -0.66 0.00 0.82 0.00 0.00 66.70 64.48 3i24 h VAL 108 Cb 1.23 2.06 0.01 0.00 -1.52 0.00 0.00 31.29 33.07 3i24 h VAL 108 CO 0.56 0.60 1.07 0.79 0.02 0.00 0.00 177.57 180.61 3i24 n TRP 109 N -4.05 2.20 -0.98 1.57 8.01 -1.26 -0.69 117.44 122.23 3i24 n TRP 109 Ca -0.08 0.17 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 3i24 n TRP 109 Cb 0.69 -2.60 0.00 0.00 -2.01 0.00 0.00 31.31 27.39 3i24 n TRP 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3i24 n GLY 110 N 4.52 0.92 0.39 6.99 0.00 -1.26 -4.88 105.19 111.86 3i24 n GLY 110 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.35 3i24 n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i24 n ASN 111 N -0.00 1.94 -4.97 1.61 3.02 0.13 -5.05 115.26 111.93 3i24 n ASN 111 Ca 0.00 -3.47 -0.20 0.00 -0.03 0.00 0.00 54.58 50.88 3i24 n ASN 111 Cb 0.00 -0.47 0.02 0.00 -0.61 0.00 0.00 39.78 38.71 3i24 n ASN 111 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i24 s THR 112 N -2.95 2.47 -1.42 3.41 -4.23 -1.24 -4.40 115.64 107.28 3i24 s THR 112 Ca 0.35 -1.14 0.26 0.00 -1.18 0.00 0.00 61.69 59.98 3i24 s THR 112 Cb 0.32 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.73 3i24 s THR 112 CO -0.03 0.00 1.54 0.35 -0.54 0.00 0.00 174.62 175.94 3i24 n THR 113 N -1.90 0.00 0.00 3.99 -2.24 -1.26 -4.94 114.28 107.94 3i24 n THR 113 Ca 0.08 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3i24 n THR 113 Cb 0.61 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3i24 n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i24 n GLY 114 N 1.40 2.92 3.73 3.38 0.00 -1.26 -4.99 105.19 110.37 3i24 n GLY 114 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3i24 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i24 s VAL 115 N -2.84 2.91 0.41 1.61 1.01 -1.26 -4.91 120.40 117.32 3i24 s VAL 115 Ca 0.00 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 62.48 3i24 s VAL 115 Cb 0.00 -3.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.82 3i24 s VAL 115 CO 0.00 0.08 0.92 -0.63 0.00 0.00 0.00 175.10 175.47 3i24 s ILE 116 N 0.57 4.42 0.55 2.22 -1.09 -1.26 -1.09 121.20 125.51 3i24 s ILE 116 Ca 0.63 1.44 -0.22 0.00 -2.23 0.00 0.00 60.65 60.26 3i24 s ILE 116 Cb -0.40 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 3i24 s ILE 116 CO 0.36 -0.26 1.36 -0.60 -1.23 0.00 0.00 174.94 174.57 3i24 s ARG 117 N -3.06 3.13 0.34 2.79 3.52 -0.17 -4.43 118.95 121.08 3i24 s ARG 117 Ca 0.60 2.24 -0.27 0.00 -0.13 0.00 0.00 55.73 58.17 3i24 s ARG 117 Cb -0.10 -2.26 -0.12 0.00 -1.56 0.00 0.00 34.95 30.91 3i24 s ARG 117 CO 0.14 -1.20 1.13 0.00 -0.81 0.00 0.00 175.30 174.56 3i24 n ALA 118 N -1.03 0.51 -0.02 6.12 0.00 -1.26 -4.69 120.51 120.14 3i24 n ALA 118 Ca 0.10 0.34 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 3i24 n ALA 118 Cb 0.45 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.73 3i24 n ALA 118 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i24 h GLN 119 N 2.10 -0.38 -0.42 0.00 5.75 -1.99 0.51 115.11 120.69 3i24 h GLN 119 Ca -0.43 0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.06 3i24 h GLN 119 Cb 1.32 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.93 3i24 h GLN 119 CO 0.60 -0.25 0.13 0.66 -2.65 0.00 0.00 178.83 177.32 3i24 h SER 120 N -0.39 0.56 0.06 -0.69 4.64 -2.01 -1.95 113.55 113.77 3i24 h SER 120 Ca 0.10 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 3i24 h SER 120 Cb 0.56 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3i24 h SER 120 CO -0.39 0.54 -0.47 -1.28 -0.87 0.00 0.00 176.83 174.36 3i24 h SER 121 N 0.60 0.52 -0.16 4.97 0.87 -1.63 -2.65 113.55 116.07 3i24 h SER 121 Ca 0.14 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 3i24 h SER 121 Cb 0.19 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3i24 h SER 121 CO -0.01 0.91 0.01 -0.61 -0.53 0.00 0.00 176.83 176.61 3i24 h GLN 122 N 0.39 0.28 -0.70 2.24 5.75 0.72 -1.08 115.11 122.71 3i24 h GLN 122 Ca 0.02 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3i24 h GLN 122 Cb 0.97 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.46 3i24 h GLN 122 CO 0.09 0.48 0.33 1.15 -2.65 0.00 0.00 178.83 178.22 3i24 h THR 123 N 0.03 1.23 -0.33 2.39 2.02 -1.43 0.01 112.91 116.85 3i24 h THR 123 Ca 0.05 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 3i24 h THR 123 Cb 0.35 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3i24 h THR 123 CO 0.01 0.28 0.13 1.56 0.37 0.00 0.00 175.52 177.87 3i24 h GLN 124 N 0.98 0.49 -0.39 6.66 4.20 -1.38 -1.33 115.11 124.33 3i24 h GLN 124 Ca 0.24 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 3i24 h GLN 124 Cb 0.13 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3i24 h GLN 124 CO -0.03 0.48 -0.06 1.25 -0.67 0.00 0.00 178.83 179.80 3i24 h LEU 125 N 0.38 0.73 -0.51 1.46 5.85 -1.01 -1.33 115.31 120.88 3i24 h LEU 125 Ca 0.11 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3i24 h LEU 125 Cb 0.17 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3i24 h LEU 125 CO -0.01 0.90 0.30 0.58 -0.34 0.00 0.00 178.44 179.87 3i24 h VAL 126 N 0.54 1.16 -0.63 1.05 2.07 -0.92 0.76 116.25 120.29 3i24 h VAL 126 Ca 0.10 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 3i24 h VAL 126 Cb 0.57 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3i24 h VAL 126 CO 0.03 0.17 0.11 0.44 0.02 0.00 0.00 177.57 178.34 3i24 h ASP 127 N 0.68 1.00 -0.24 0.57 3.32 -1.15 -0.86 116.42 119.75 3i24 h ASP 127 Ca 0.18 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3i24 h ASP 127 Cb 0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3i24 h ASP 127 CO -0.03 1.01 0.09 0.25 -1.72 0.00 0.00 179.24 178.84 3i24 h LEU 128 N 0.96 0.33 -0.53 1.55 5.85 -0.96 -2.52 115.31 119.99 3i24 h LEU 128 Ca 0.19 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3i24 h LEU 128 Cb 0.43 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3i24 h LEU 128 CO 0.01 0.41 0.29 -0.07 -0.34 0.00 0.00 178.44 178.74 3i24 h LEU 129 N 0.23 0.67 -1.06 2.25 3.38 -0.66 -1.22 115.31 118.90 3i24 h LEU 129 Ca 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3i24 h LEU 129 Cb 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3i24 h LEU 129 CO -0.01 0.57 0.50 0.03 0.09 0.00 0.00 178.44 179.63 3i24 h ARG 130 N 0.71 1.15 -0.22 1.13 3.08 -1.10 0.23 114.38 119.37 3i24 h ARG 130 Ca 0.19 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3i24 h ARG 130 Cb 0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3i24 h ARG 130 CO -0.03 0.81 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.23 3i24 h ASP 131 N 1.17 0.39 -0.13 7.04 3.32 -1.13 -2.22 116.42 124.86 3i24 h ASP 131 Ca 0.30 -0.32 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 3i24 h ASP 131 Cb -0.04 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3i24 h ASP 131 CO -0.06 0.61 -0.41 0.11 -1.72 0.00 0.00 179.24 177.78 3i24 h LYS 132 N 0.15 0.66 0.00 3.56 1.79 -0.90 -2.68 116.57 119.16 3i24 h LYS 132 Ca 0.06 -0.35 -0.05 0.00 -2.18 0.00 0.00 60.65 58.14 3i24 h LYS 132 Cb 0.42 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3i24 h LYS 132 CO 0.01 0.95 -0.22 -0.07 -1.08 0.00 0.00 179.45 179.05 3i24 h LEU 133 N 0.54 0.00 -0.58 2.94 3.38 -0.53 -1.95 115.31 119.12 3i24 h LEU 133 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i24 h LEU 133 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3i24 h LEU 133 CO 0.08 0.22 0.00 -1.20 0.09 0.00 0.00 178.44 177.63 3i24 n SER 134 N -4.07 0.37 0.02 -0.43 7.64 -0.84 -1.12 113.62 115.19 3i24 n SER 134 Ca -0.02 0.62 0.13 0.00 1.01 0.00 0.00 58.87 60.61 3i24 n SER 134 Cb 0.29 -0.69 0.46 0.00 -1.01 0.00 0.00 64.21 63.27 3i24 n SER 134 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3i24 n ASN 135 N -1.94 0.31 -4.76 6.43 3.02 -0.73 -4.80 115.26 112.80 3i24 n ASN 135 Ca 0.01 0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 54.48 3i24 n ASN 135 Cb 0.13 -0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.92 3i24 n ASN 135 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i24 s ILE 136 N -3.03 4.70 0.07 2.41 1.01 -0.27 -4.99 121.20 121.09 3i24 s ILE 136 Ca 0.12 1.56 -0.34 0.00 0.00 0.00 0.00 60.65 61.99 3i24 s ILE 136 Cb 0.17 -4.08 -0.13 0.00 0.01 0.00 0.00 42.46 38.43 3i24 s ILE 136 CO 0.60 0.41 1.67 -0.24 0.00 0.00 0.00 174.94 177.37 3i24 n SER 137 N 2.55 3.14 0.00 3.58 2.88 -1.26 -1.96 113.62 122.55 3i24 n SER 137 Ca -0.04 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 3i24 n SER 137 Cb 0.50 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3i24 n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i24 n GLY 138 N 3.72 1.19 3.73 0.46 0.00 -1.26 -4.71 105.19 108.32 3i24 n GLY 138 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3i24 n GLY 138 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i24 s PHE 139 N -3.45 3.46 -0.20 1.61 5.36 -0.83 -3.73 117.98 120.20 3i24 s PHE 139 Ca 0.00 1.45 -0.00 0.00 -0.96 0.00 0.00 56.93 57.42 3i24 s PHE 139 Cb 0.00 -3.39 0.05 0.00 -0.34 0.00 0.00 43.02 39.34 3i24 s PHE 139 CO 0.00 -1.08 -0.05 0.15 -1.46 0.00 0.00 175.22 172.78 3i24 s LYS 140 N -0.11 1.50 0.58 10.12 -0.14 0.14 -4.86 119.74 126.96 3i24 s LYS 140 Ca 0.53 -0.76 -0.19 0.00 -1.36 0.00 0.00 55.97 54.18 3i24 s LYS 140 Cb -0.31 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 3i24 s LYS 140 CO 0.35 -0.53 1.22 -0.98 -0.76 0.00 0.00 175.35 174.65 3i24 s ARG 141 N 1.52 3.05 -0.15 1.68 1.70 -1.26 -0.39 118.95 125.11 3i24 s ARG 141 Ca -0.03 1.86 -0.01 0.00 -0.47 0.00 0.00 55.73 57.07 3i24 s ARG 141 Cb -0.17 -1.99 0.04 0.00 -0.57 0.00 0.00 34.95 32.26 3i24 s ARG 141 CO -0.07 -1.15 -0.01 -0.51 -1.08 0.00 0.00 175.30 172.48 3i24 s LEU 142 N -3.94 1.21 0.00 -1.89 1.43 -0.71 -4.82 118.68 109.96 3i24 s LEU 142 Ca 0.76 -0.55 0.19 0.00 -1.03 0.00 0.00 54.13 53.51 3i24 s LEU 142 Cb -0.31 -0.70 0.22 0.00 0.03 0.00 0.00 46.19 45.43 3i24 s LEU 142 CO 0.34 -0.22 1.17 -0.62 0.23 0.00 0.00 176.35 177.25 3i24 n GLU 143 N 5.00 1.87 0.00 1.70 1.02 -1.26 -4.46 120.64 124.50 3i24 n GLU 143 Ca -0.10 -1.79 0.03 0.00 -0.02 0.00 0.00 57.16 55.28 3i24 n GLU 143 Cb 0.48 -1.39 0.16 0.00 -0.02 0.00 0.00 31.44 30.68 3i24 n GLU 143 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03