#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i24 s GLN 4 N 0.00 0.16 0.27 -4.13 1.03 -1.26 -5.08 119.66 110.65 3i24 s GLN 4 Ca 0.00 0.56 -0.30 0.00 0.04 0.00 0.00 55.36 55.66 3i24 s GLN 4 Cb 0.00 -0.12 -0.11 0.00 0.03 0.00 0.00 33.01 32.81 3i24 s GLN 4 CO 0.00 -0.21 1.55 -1.17 -2.54 0.00 0.00 175.29 172.93 3i24 s LEU 5 N 1.64 4.36 0.36 2.60 2.96 -1.26 -4.92 118.68 124.41 3i24 s LEU 5 Ca -0.05 2.86 -0.29 0.00 -0.22 0.00 0.00 54.13 56.43 3i24 s LEU 5 Cb -0.11 -3.63 -0.11 0.00 0.50 0.00 0.00 46.19 42.84 3i24 s LEU 5 CO -0.08 -0.85 1.52 -2.28 -1.32 0.00 0.00 176.35 173.34 3i24 s HIS 6 N 0.08 2.62 0.37 5.38 5.65 -1.26 -4.82 115.29 123.30 3i24 s HIS 6 Ca 0.63 1.06 0.12 0.00 0.25 0.00 0.00 55.06 57.12 3i24 s HIS 6 Cb -0.46 -4.04 0.93 0.00 -1.18 0.00 0.00 32.58 27.83 3i24 s HIS 6 CO 0.45 -3.17 1.81 -1.35 -0.65 0.00 0.00 174.74 171.83 3i24 h PRO 7 N 3.48 0.56 -0.44 2.88 0.11 -1.99 -1.30 132.00 135.29 3i24 h PRO 7 Ca -0.50 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.43 3i24 h PRO 7 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3i24 h PRO 7 CO 0.68 0.37 -0.29 0.00 -0.21 0.00 0.00 178.00 178.55 3i24 h ARG 8 N 0.57 0.97 -0.22 1.05 3.08 -1.99 -0.53 114.38 117.31 3i24 h ARG 8 Ca 0.53 -0.45 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3i24 h ARG 8 Cb 1.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 3i24 h ARG 8 CO -0.27 1.12 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.27 3i24 h LEU 9 N 0.81 0.55 -0.42 3.04 3.38 -1.73 -1.66 115.31 119.29 3i24 h LEU 9 Ca 0.09 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3i24 h LEU 9 Cb 0.88 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3i24 h LEU 9 CO 0.08 0.90 -0.01 -0.61 0.09 0.00 0.00 178.44 178.88 3i24 h GLN 10 N 0.43 0.75 -0.14 1.13 5.75 -1.07 -1.59 115.11 120.35 3i24 h GLN 10 Ca 0.04 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.17 3i24 h GLN 10 Cb 0.90 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.38 3i24 h GLN 10 CO 0.08 0.83 -0.42 0.37 -2.65 0.00 0.00 178.83 177.04 3i24 h GLN 11 N 0.58 0.33 0.00 1.69 4.15 -0.98 -3.20 115.11 117.69 3i24 h GLN 11 Ca 0.12 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3i24 h GLN 11 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3i24 h GLN 11 CO 0.02 0.70 -0.48 -0.25 -1.93 0.00 0.00 178.83 176.90 3i24 n ASP 12 N -4.02 0.54 -4.28 -0.69 8.00 -0.63 -4.97 116.55 110.50 3i24 n ASP 12 Ca -0.02 0.04 -0.20 0.00 0.71 0.00 0.00 54.79 55.32 3i24 n ASP 12 Cb 0.50 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.58 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 3.34 -0.40 0.00 1.01 -0.27 -4.81 121.20 116.59 3i24 s ILE 14 Ca 0.35 -0.56 -0.27 0.00 0.00 0.00 0.00 60.65 60.16 3i24 s ILE 14 Cb 0.07 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3i24 s ILE 14 CO 0.15 0.52 1.01 -0.69 0.00 0.00 0.00 174.94 175.94 3i24 s VAL 15 N 0.23 4.45 0.07 2.92 1.01 -1.26 -0.88 120.40 126.93 3i24 s VAL 15 Ca -0.07 1.25 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 3i24 s VAL 15 Cb -0.15 -4.44 -0.20 0.00 0.00 0.00 0.00 36.38 31.59 3i24 s VAL 15 CO 0.04 -0.70 1.21 -0.07 0.00 0.00 0.00 175.10 175.59 3i24 h LEU 16 N 10.45 0.82 0.00 3.92 3.38 -1.22 -3.49 115.31 129.18 3i24 h LEU 16 Ca -0.23 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3i24 h LEU 16 Cb 1.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3i24 h LEU 16 CO 1.04 1.40 0.00 0.61 0.09 0.00 0.00 178.44 181.58 3i24 n GLY 17 N 0.92 -1.26 3.32 0.83 0.00 -1.17 -4.73 105.19 103.10 3i24 n GLY 17 Ca -0.10 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.00 3.38 0.54 1.61 0.02 0.46 -0.59 114.94 116.35 3i24 s ASN 18 Ca 0.00 -0.43 0.05 0.00 -1.02 0.00 0.00 52.86 51.46 3i24 s ASN 18 Cb 0.00 -0.96 0.06 0.00 0.02 0.00 0.00 41.25 40.36 3i24 s ASN 18 CO 0.00 0.25 0.75 -0.76 0.02 0.00 0.00 177.10 177.36 3i24 s LEU 19 N -0.18 3.30 0.29 0.60 1.43 0.76 -0.71 118.68 124.17 3i24 s LEU 19 Ca -0.02 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3i24 s LEU 19 Cb -0.14 -2.34 0.70 0.00 0.03 0.00 0.00 46.19 44.45 3i24 s LEU 19 CO 0.03 -1.19 1.73 -0.65 0.23 0.00 0.00 176.35 176.50 3i24 h PRO 20 N 0.18 0.50 0.00 1.29 0.11 -1.85 -3.31 132.00 128.92 3i24 h PRO 20 Ca -0.37 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.43 3i24 h PRO 20 Cb 1.28 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3i24 h PRO 20 CO 0.45 0.33 -1.94 -0.11 -0.21 0.00 0.00 178.00 176.52 3i24 n LEU 21 N -4.95 1.76 -4.89 2.35 7.94 -1.26 -5.00 117.00 112.95 3i24 n LEU 21 Ca 0.22 0.12 -0.36 0.00 -1.11 0.00 0.00 56.01 54.87 3i24 n LEU 21 Cb 0.60 -0.52 -0.06 0.00 0.53 0.00 0.00 43.42 43.98 3i24 n LEU 21 CO 0.16 0.49 -0.17 0.00 -1.11 0.00 0.00 177.39 176.76 3i24 s LYS 23 N -1.27 4.47 -0.19 0.00 2.20 -0.21 -0.17 119.74 124.57 3i24 s LYS 23 Ca 0.18 1.10 -0.03 0.00 -0.36 0.00 0.00 55.97 56.86 3i24 s LYS 23 Cb -0.12 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.14 3i24 s LYS 23 CO 0.08 0.45 -0.05 0.08 -0.36 0.00 0.00 175.35 175.55 3i24 s VAL 24 N -1.37 3.52 0.21 4.02 1.01 0.24 -0.99 120.40 127.04 3i24 s VAL 24 Ca 0.41 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 62.03 3i24 s VAL 24 Cb -0.20 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3i24 s VAL 24 CO 0.24 0.46 -0.19 -0.76 0.00 0.00 0.00 175.10 174.85 3i24 s LEU 25 N 0.96 2.62 -0.17 3.92 1.43 0.26 -0.64 118.68 127.06 3i24 s LEU 25 Ca -0.00 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 3i24 s LEU 25 Cb -0.15 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 44.79 3i24 s LEU 25 CO 0.01 0.10 -0.17 -0.22 0.23 0.00 0.00 176.35 176.29 3i24 s LEU 26 N -2.89 2.31 0.18 1.79 2.96 -0.06 -1.10 118.68 121.86 3i24 s LEU 26 Ca 0.24 -0.56 -0.31 0.00 -0.22 0.00 0.00 54.13 53.28 3i24 s LEU 26 Cb -0.08 -1.53 -0.09 0.00 0.50 0.00 0.00 46.19 45.00 3i24 s LEU 26 CO 0.12 0.03 1.37 -0.63 -1.32 0.00 0.00 176.35 175.93 3i24 s ILE 27 N 1.10 3.13 0.13 6.68 -1.09 -0.03 -1.11 121.20 130.01 3i24 s ILE 27 Ca 0.00 0.88 0.31 0.00 -2.23 0.00 0.00 60.65 59.62 3i24 s ILE 27 Cb -0.14 -3.56 0.35 0.00 -1.58 0.00 0.00 42.46 37.53 3i24 s ILE 27 CO -0.06 0.11 1.96 0.11 -1.23 0.00 0.00 174.94 175.82 3i24 h LYS 28 N 5.87 0.00 -6.92 2.79 1.57 -1.61 -3.44 116.57 114.83 3i24 h LYS 28 Ca -0.44 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.78 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 0.81 0.06 0.53 0.39 -0.57 0.00 0.00 179.45 180.66 3i24 n GLU 29 N -3.19 1.82 -1.75 3.15 1.02 -1.26 -2.22 120.64 118.22 3i24 n GLU 29 Ca 0.00 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.38 3i24 n GLU 29 Cb 0.33 -2.46 -0.00 0.00 -0.02 0.00 0.00 31.44 29.29 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 -0.30 3.89 -3.55 1.62 2.03 -0.19 -4.60 116.55 115.46 3i24 n ASP 30 Ca 0.08 -2.84 -0.17 0.00 0.52 0.00 0.00 54.79 52.38 3i24 n ASP 30 Cb 0.42 -1.66 -0.06 0.00 -0.72 0.00 0.00 41.12 39.10 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 3.22 0.00 0.00 5.18 2.07 -1.26 -4.93 121.20 125.48 3i24 s ILE 31 Ca 0.47 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.71 3i24 s ILE 31 Cb 0.14 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.73 3i24 s ILE 31 CO -0.09 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 3i24 n GLY 32 N 1.34 0.42 3.54 1.50 0.00 -1.26 -3.31 105.19 107.43 3i24 n GLY 32 Ca -0.17 -1.26 -0.45 0.00 0.00 0.00 0.00 46.02 44.14 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 1.02 -3.92 1.61 -0.02 -1.26 -4.65 135.00 127.78 3i24 n PRO 33 Ca 0.00 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.50 3i24 n PRO 33 Cb 0.00 -1.64 -0.14 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.05 3.37 0.25 6.00 -0.11 -1.21 -1.57 118.94 124.62 3i24 s TRP 34 Ca 0.60 -2.15 0.07 0.00 1.22 0.00 0.00 56.10 55.84 3i24 s TRP 34 Cb -0.75 -2.36 -0.04 0.00 -1.50 0.00 0.00 33.47 28.82 3i24 s TRP 34 CO 0.59 -0.86 0.15 -0.51 -4.62 0.00 0.00 176.95 171.70 3i24 s LEU 35 N 1.17 3.68 -0.02 5.86 1.43 0.22 -0.85 118.68 130.16 3i24 s LEU 35 Ca -0.02 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3i24 s LEU 35 Cb -0.20 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.83 3i24 s LEU 35 CO -0.03 -0.02 0.02 -0.63 0.23 0.00 0.00 176.35 175.92 3i24 s ILE 36 N -2.15 -0.01 -0.19 -0.59 1.01 -0.26 -0.43 121.20 118.59 3i24 s ILE 36 Ca 0.32 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 61.08 3i24 s ILE 36 Cb -0.08 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 3i24 s ILE 36 CO 0.24 0.10 0.07 -0.76 0.00 0.00 0.00 174.94 174.59 3i24 s LEU 37 N 1.05 3.85 -0.30 2.97 1.02 -0.38 -0.57 118.68 126.32 3i24 s LEU 37 Ca -0.09 0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.17 3i24 s LEU 37 Cb -0.13 -1.98 0.08 0.00 0.02 0.00 0.00 46.19 44.19 3i24 s LEU 37 CO -0.03 0.17 0.01 -0.69 0.02 0.00 0.00 176.35 175.83 3i24 s VAL 38 N 0.40 1.87 0.13 -1.59 1.01 -0.16 -0.39 120.40 121.66 3i24 s VAL 38 Ca 0.04 -1.83 -0.33 0.00 0.00 0.00 0.00 61.98 59.86 3i24 s VAL 38 Cb -0.12 -2.26 -0.13 0.00 0.00 0.00 0.00 36.38 33.87 3i24 s VAL 38 CO 0.00 -0.41 1.70 -2.65 0.00 0.00 0.00 175.10 173.74 3i24 n PRO 39 N 4.47 2.38 -1.84 2.72 -0.02 -1.26 -1.05 135.00 140.40 3i24 n PRO 39 Ca -0.03 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 3i24 n PRO 39 Cb 0.42 -2.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 4.39 3.10 -4.32 -0.52 1.74 -0.31 -4.82 116.66 115.93 3i24 n ARG 40 Ca 0.18 -2.79 -0.23 0.00 -0.77 0.00 0.00 57.85 54.24 3i24 n ARG 40 Cb 0.31 -3.17 -0.17 0.00 -1.02 0.00 0.00 32.46 28.42 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 2.44 0.85 0.42 0.55 1.01 -1.26 -4.89 121.20 120.33 3i24 s ILE 41 Ca 0.47 -0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.58 3i24 s ILE 41 Cb 0.13 -0.82 -0.08 0.00 0.01 0.00 0.00 42.46 41.70 3i24 s ILE 41 CO -0.07 0.30 1.30 -0.70 0.00 0.00 0.00 174.94 175.77 3i24 s GLU 42 N 0.91 3.86 -1.30 2.79 2.12 -1.26 -3.88 118.70 121.94 3i24 s GLU 42 Ca -0.11 2.14 -0.11 0.00 0.36 0.00 0.00 54.97 57.25 3i24 s GLU 42 Cb -0.15 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.57 3i24 s GLU 42 CO 0.01 -0.57 0.55 0.39 -0.54 0.00 0.00 175.26 175.09 3i24 n GLU 43 N -0.04 -2.06 -3.94 4.30 1.02 -1.26 -4.97 120.64 113.69 3i24 n GLU 43 Ca 0.05 0.36 -0.35 0.00 -0.02 0.00 0.00 57.16 57.19 3i24 n GLU 43 Cb 0.44 -4.07 -0.11 0.00 -0.02 0.00 0.00 31.44 27.67 3i24 n GLU 43 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3i24 s LEU 44 N -6.89 3.58 -0.22 -4.62 2.96 -1.25 -5.00 118.68 107.23 3i24 s LEU 44 Ca 0.22 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.96 3i24 s LEU 44 Cb -0.09 -1.93 -0.10 0.00 0.50 0.00 0.00 46.19 44.57 3i24 s LEU 44 CO 0.90 0.07 -0.27 1.17 -1.32 0.00 0.00 176.35 176.90 3i24 n LYS 45 N 4.21 0.48 -4.40 1.98 4.81 -1.26 -0.98 118.16 123.00 3i24 n LYS 45 Ca -0.16 0.20 -0.27 0.00 -0.87 0.00 0.00 58.31 57.20 3i24 n LYS 45 Cb 0.52 -1.32 -0.12 0.00 0.02 0.00 0.00 35.03 34.13 3i24 n LYS 45 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3i24 s GLU 46 N -2.41 1.44 0.21 1.64 0.41 -1.26 -4.54 118.70 114.18 3i24 s GLU 46 Ca -0.31 -1.43 -0.09 0.00 -0.41 0.00 0.00 54.97 52.72 3i24 s GLU 46 Cb 0.11 -1.83 0.23 0.00 -1.78 0.00 0.00 34.13 30.87 3i24 s GLU 46 CO 0.41 0.41 1.82 0.82 -0.49 0.00 0.00 175.26 178.23 3i24 h ILE 47 N 3.52 1.00 0.00 -1.63 2.04 -1.97 -1.03 117.51 119.43 3i24 h ILE 47 Ca -0.48 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3i24 h ILE 47 Cb 1.19 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3i24 h ILE 47 CO 0.44 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.72 3i24 n HIS 48 N -4.76 0.00 0.47 1.37 1.44 -1.26 -1.51 115.22 110.97 3i24 n HIS 48 Ca 0.08 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 3i24 n HIS 48 Cb 0.15 -0.12 0.23 0.00 0.12 0.00 0.00 29.99 30.38 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 -4.32 -1.40 3.86 -1.59 -3.45 115.15 108.25 3i24 h HIS 49 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 3i24 h HIS 49 Cb 0.06 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.62 3i24 h HIS 49 CO 0.00 0.00 0.38 -1.64 0.86 0.00 0.00 177.93 177.53 3i24 s MET 50 N -3.18 3.12 0.79 2.45 -1.94 -0.57 -5.02 119.30 114.95 3i24 s MET 50 Ca 0.07 0.96 -0.11 0.00 -1.71 0.00 0.00 55.69 54.90 3i24 s MET 50 Cb 0.11 -2.01 0.07 0.00 2.01 0.00 0.00 34.83 35.00 3i24 s MET 50 CO 0.68 -0.95 1.09 0.95 -0.01 0.00 0.00 175.02 176.77 3i24 s THR 51 N -2.97 3.26 0.28 2.05 -4.23 -1.26 -4.79 115.64 107.99 3i24 s THR 51 Ca 0.58 0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 61.50 3i24 s THR 51 Cb -0.14 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 70.98 3i24 s THR 51 CO 0.51 -0.53 1.87 0.44 -0.54 0.00 0.00 174.62 176.37 3i24 h ASP 52 N -1.14 0.96 -0.31 3.99 3.32 -1.95 -0.38 116.42 120.92 3i24 h ASP 52 Ca -0.46 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 3i24 h ASP 52 Cb 1.25 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3i24 h ASP 52 CO 0.55 0.58 -0.25 -0.33 -1.72 0.00 0.00 179.24 178.07 3i24 h GLU 53 N 1.07 0.80 -0.47 3.56 3.07 -2.00 -1.49 114.58 119.13 3i24 h GLU 53 Ca 0.44 -0.34 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 3i24 h GLU 53 Cb 0.30 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3i24 h GLU 53 CO -0.20 0.97 -0.06 1.96 -1.40 0.00 0.00 179.01 180.29 3i24 h GLN 54 N 0.69 0.82 -0.70 2.33 4.20 -1.69 -2.31 115.11 118.46 3i24 h GLN 54 Ca 0.09 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 3i24 h GLN 54 Cb 0.78 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 3i24 h GLN 54 CO 0.06 0.86 0.30 1.96 -0.67 0.00 0.00 178.83 181.35 3i24 h GLN 55 N 0.75 1.03 -0.34 1.46 4.20 -0.71 -0.33 115.11 121.17 3i24 h GLN 55 Ca 0.14 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3i24 h GLN 55 Cb 0.54 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3i24 h GLN 55 CO 0.03 0.82 0.11 0.82 -0.67 0.00 0.00 178.83 179.94 3i24 h ILE 56 N 1.01 1.20 -0.66 2.54 2.04 -0.88 -0.67 117.51 122.09 3i24 h ILE 56 Ca 0.24 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 3i24 h ILE 56 Cb 0.16 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3i24 h ILE 56 CO -0.02 0.22 0.17 -0.61 0.00 0.00 0.00 178.15 177.91 3i24 h GLN 57 N 0.39 1.04 -0.10 2.37 5.75 -1.11 -2.13 115.11 121.31 3i24 h GLN 57 Ca 0.11 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3i24 h GLN 57 Cb 0.23 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 3i24 h GLN 57 CO -0.00 0.91 0.06 0.35 -2.65 0.00 0.00 178.83 177.50 3i24 h PHE 58 N 0.99 0.13 -0.09 3.99 3.57 -0.73 -1.68 116.94 123.11 3i24 h PHE 58 Ca 0.21 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3i24 h PHE 58 Cb 0.34 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3i24 h PHE 58 CO 0.02 0.13 -0.22 0.97 -2.23 0.00 0.00 178.31 176.99 3i24 h ILE 59 N 0.10 1.20 -0.36 1.41 6.09 -0.95 0.22 117.51 125.22 3i24 h ILE 59 Ca 0.04 -0.93 -0.05 0.00 -1.37 0.00 0.00 64.86 62.54 3i24 h ILE 59 Cb 0.03 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 38.68 3i24 h ILE 59 CO -0.01 0.28 0.03 0.11 -3.07 0.00 0.00 178.15 175.49 3i24 h LYS 60 N 0.15 0.62 -0.51 2.19 1.57 -1.11 -0.53 116.57 118.95 3i24 h LYS 60 Ca 0.03 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 3i24 h LYS 60 Cb 0.47 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3i24 h LYS 60 CO 0.03 0.71 -0.17 0.93 -0.57 0.00 0.00 179.45 180.38 3i24 h GLU 61 N 0.44 1.02 -0.11 3.15 5.08 -0.76 -1.83 114.58 121.57 3i24 h GLU 61 Ca 0.11 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3i24 h GLU 61 Cb 0.41 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3i24 h GLU 61 CO 0.01 1.09 0.05 1.03 -1.00 0.00 0.00 179.01 180.20 3i24 h SER 62 N 0.89 0.08 0.21 1.42 0.87 -0.41 -1.44 113.55 115.17 3i24 h SER 62 Ca 0.12 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 3i24 h SER 62 Cb 0.75 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 3i24 h SER 62 CO 0.06 0.06 -0.32 0.28 -0.53 0.00 0.00 176.83 176.38 3i24 h SER 63 N 0.11 0.17 -0.48 6.23 0.02 -1.02 -0.49 113.55 118.08 3i24 h SER 63 Ca 0.04 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 3i24 h SER 63 Cb 0.01 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3i24 h SER 63 CO -0.03 0.48 -0.09 0.00 -1.14 0.00 0.00 176.83 176.05 3i24 h ALA 64 N 1.53 0.65 -0.28 3.77 0.00 -1.01 -1.22 119.26 122.70 3i24 h ALA 64 Ca 0.02 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3i24 h ALA 64 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3i24 h ALA 64 CO 0.05 0.53 -0.45 0.28 0.00 0.00 0.00 179.25 179.66 3i24 h VAL 65 N 0.75 1.29 -0.59 0.00 2.07 -0.98 -2.15 116.25 116.64 3i24 h VAL 65 Ca 0.12 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 3i24 h VAL 65 Cb 0.63 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3i24 h VAL 65 CO 0.04 0.53 0.22 0.00 0.02 0.00 0.00 177.57 178.38 3i24 h ALA 66 N 0.92 0.77 -0.34 1.67 0.00 -0.95 -1.19 119.26 120.13 3i24 h ALA 66 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3i24 h ALA 66 Cb 1.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3i24 h ALA 66 CO 0.10 0.40 -0.04 0.37 0.00 0.00 0.00 179.25 180.08 3i24 h GLN 67 N 0.83 0.55 -0.61 0.00 5.75 -1.16 -1.37 115.11 119.11 3i24 h GLN 67 Ca 0.20 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3i24 h GLN 67 Cb 0.22 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 3i24 h GLN 67 CO -0.01 0.61 0.25 1.25 -2.65 0.00 0.00 178.83 178.28 3i24 h LEU 68 N 0.52 0.83 -0.82 -2.39 6.46 -0.69 0.55 115.31 119.78 3i24 h LEU 68 Ca 0.11 -0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.64 3i24 h LEU 68 Cb 0.40 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 3i24 h LEU 68 CO 0.02 0.76 0.15 -0.07 -0.62 0.00 0.00 178.44 178.68 3i24 h LEU 69 N 0.84 0.98 -0.49 2.25 3.38 -0.64 -2.19 115.31 119.44 3i24 h LEU 69 Ca 0.20 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3i24 h LEU 69 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3i24 h LEU 69 CO -0.02 0.95 0.01 -0.08 0.09 0.00 0.00 178.44 179.39 3i24 h GLU 70 N 0.99 0.85 -0.04 1.13 4.57 -0.74 -1.63 114.58 119.71 3i24 h GLU 70 Ca 0.21 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 3i24 h GLU 70 Cb 0.36 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3i24 h GLU 70 CO 0.00 0.89 -0.48 -0.44 -1.18 0.00 0.00 179.01 177.81 3i24 h ASP 71 N 0.72 0.11 0.00 1.04 3.32 -0.70 -3.06 116.42 117.85 3i24 h ASP 71 Ca 0.14 -0.05 -0.25 0.00 0.02 0.00 0.00 57.03 56.89 3i24 h ASP 71 Cb 0.50 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 3i24 h ASP 71 CO 0.02 0.57 -2.21 0.59 -1.72 0.00 0.00 179.24 176.49 3i24 n ASN 72 N -3.97 0.28 -0.00 6.45 3.02 -0.84 -4.68 115.26 115.51 3i24 n ASN 72 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3i24 n ASN 72 Cb 0.51 1.24 0.00 0.00 -0.61 0.00 0.00 39.78 40.92 3i24 n ASN 72 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3i24 n PHE 73 N -2.57 0.00 -3.92 3.10 3.72 -0.62 -5.03 117.46 112.14 3i24 n PHE 73 Ca -0.24 -0.15 -0.31 0.00 -0.05 0.00 0.00 57.45 56.70 3i24 n PHE 73 Cb 0.96 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.50 3i24 n PHE 73 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3i24 n SER 74 N -0.15 -2.86 -4.78 4.37 3.41 -1.15 -4.87 113.62 107.58 3i24 n SER 74 Ca 0.00 -0.88 -0.32 0.00 -0.26 0.00 0.00 58.87 57.41 3i24 n SER 74 Cb 0.07 -1.09 0.06 0.00 -0.26 0.00 0.00 64.21 63.00 3i24 n SER 74 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3i24 s PRO 75 N -6.45 2.70 0.34 4.33 0.04 -1.26 -4.93 135.00 129.77 3i24 s PRO 75 Ca 0.31 1.25 0.17 0.00 0.04 0.00 0.00 61.00 62.77 3i24 s PRO 75 Cb -0.17 -1.95 0.54 0.00 0.04 0.00 0.00 34.50 32.96 3i24 s PRO 75 CO 0.67 -1.31 1.67 -0.44 0.04 0.00 0.00 177.00 177.63 3i24 h ASP 76 N -0.38 0.00 -4.59 6.66 3.32 -1.26 -3.46 116.42 116.71 3i24 h ASP 76 Ca -0.45 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.63 3i24 h ASP 76 Cb 1.23 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.59 3i24 h ASP 76 CO 0.54 0.43 0.39 -0.75 -1.72 0.00 0.00 179.24 178.13 3i24 s LYS 77 N -3.49 0.86 -0.04 3.56 2.47 -1.09 -5.03 119.74 116.97 3i24 s LYS 77 Ca 0.00 0.03 0.03 0.00 -1.56 0.00 0.00 55.97 54.47 3i24 s LYS 77 Cb 0.11 0.40 -0.03 0.00 -1.46 0.00 0.00 37.83 36.85 3i24 s LYS 77 CO 0.70 -0.30 -0.10 0.42 0.16 0.00 0.00 175.35 176.23 3i24 s ILE 78 N -1.81 3.42 -0.08 5.43 1.01 -1.26 0.00 121.20 127.92 3i24 s ILE 78 Ca -0.03 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.02 3i24 s ILE 78 Cb -0.00 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3i24 s ILE 78 CO 0.01 0.55 -0.24 0.20 0.00 0.00 0.00 174.94 175.46 3i24 s ASN 79 N -0.92 3.17 -0.06 3.58 0.01 -0.04 -4.96 114.94 115.73 3i24 s ASN 79 Ca 0.13 -0.50 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 3i24 s ASN 79 Cb -0.11 -1.07 -0.00 0.00 0.41 0.00 0.00 41.25 40.48 3i24 s ASN 79 CO 0.02 0.22 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.02 3i24 s ILE 80 N 0.01 1.55 -0.16 0.60 1.01 -1.26 -0.56 121.20 122.38 3i24 s ILE 80 Ca -0.08 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 3i24 s ILE 80 Cb -0.15 -1.34 0.05 0.00 0.01 0.00 0.00 42.46 41.03 3i24 s ILE 80 CO 0.05 0.44 0.50 -0.83 0.00 0.00 0.00 174.94 175.11 3i24 s GLY 81 N 0.16 -0.37 -0.29 6.18 0.00 -0.58 -4.97 107.32 107.44 3i24 s GLY 81 Ca -0.08 1.30 0.02 0.00 0.00 0.00 0.00 44.72 45.96 3i24 s GLY 81 CO 0.04 1.08 -0.00 0.00 0.00 0.00 0.00 173.10 174.22 3i24 s ALA 82 N -0.05 2.35 0.00 3.20 0.00 -1.26 -0.43 121.76 125.56 3i24 s ALA 82 Ca -0.03 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.01 3i24 s ALA 82 Cb -0.03 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3i24 s ALA 82 CO 0.02 -1.46 0.00 1.28 0.00 0.00 0.00 175.76 175.60 3i24 n LEU 83 N 4.50 0.00 -2.22 0.00 4.32 -1.26 -5.04 117.00 117.30 3i24 n LEU 83 Ca -0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.78 3i24 n LEU 83 Cb 0.43 -0.14 0.02 0.00 -1.62 0.00 0.00 43.42 42.11 3i24 n LEU 83 CO 0.19 -0.25 -0.04 0.61 -1.22 0.00 0.00 177.39 176.68 3i24 n GLY 84 N 2.78 -0.23 0.21 -0.72 0.00 -1.26 -4.93 105.19 101.05 3i24 n GLY 84 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.86 0.52 0.00 1.61 2.35 -1.97 -3.38 115.58 113.84 3i24 h ASN 85 Ca -0.39 -0.25 -0.29 0.00 -0.55 0.00 0.00 56.30 54.82 3i24 h ASN 85 Cb 1.27 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 3i24 h ASN 85 CO 0.43 0.91 -1.95 0.00 -1.65 0.00 0.00 177.43 175.16 3i24 n LEU 86 N -4.00 1.92 -4.58 1.61 -0.00 -1.26 -4.87 117.00 105.81 3i24 n LEU 86 Ca -0.02 0.33 -0.42 0.00 -0.00 0.00 0.00 56.01 55.90 3i24 n LEU 86 Cb 0.54 -0.78 -0.05 0.00 -0.00 0.00 0.00 43.42 43.14 3i24 n LEU 86 CO 0.45 0.25 0.61 -0.69 -0.00 0.00 0.00 177.39 178.01 3i24 s VAL 87 N -2.65 4.69 0.37 1.47 1.01 -1.26 -4.95 120.40 119.08 3i24 s VAL 87 Ca -0.35 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.59 3i24 s VAL 87 Cb 0.11 -4.25 0.19 0.00 0.00 0.00 0.00 36.38 32.43 3i24 s VAL 87 CO 0.46 -0.49 1.93 1.55 0.00 0.00 0.00 175.10 178.55 3i24 h PRO 88 N 8.54 0.48 -6.28 2.72 0.13 -1.90 -3.41 132.00 132.28 3i24 h PRO 88 Ca -0.24 -0.08 -0.55 0.00 -0.87 0.00 0.00 66.00 64.26 3i24 h PRO 88 Cb 1.09 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 32.14 3i24 h PRO 88 CO 0.93 0.47 1.22 -1.14 -0.23 0.00 0.00 178.00 179.25 3i24 s GLN 89 N -5.07 3.99 -0.03 0.86 0.74 -1.26 -4.46 119.66 114.42 3i24 s GLN 89 Ca -0.07 2.34 -0.36 0.00 0.05 0.00 0.00 55.36 57.31 3i24 s GLN 89 Cb 0.16 -4.13 -0.14 0.00 1.10 0.00 0.00 33.01 29.99 3i24 s GLN 89 CO 0.75 -1.11 1.65 -0.11 -0.55 0.00 0.00 175.29 175.92 3i24 n LEU 90 N 8.07 2.70 -3.75 3.68 7.94 -0.15 -4.97 117.00 130.51 3i24 n LEU 90 Ca 0.20 1.06 -0.13 0.00 -1.11 0.00 0.00 56.01 56.03 3i24 n LEU 90 Cb 0.42 -1.29 -0.11 0.00 0.53 0.00 0.00 43.42 42.98 3i24 n LEU 90 CO 0.66 -0.43 0.00 -1.38 -1.11 0.00 0.00 177.39 175.14 3i24 s HIS 91 N 2.36 -0.38 -0.23 1.96 -3.43 -1.26 -4.21 115.29 110.11 3i24 s HIS 91 Ca 0.89 0.91 -0.01 0.00 -0.80 0.00 0.00 55.06 56.05 3i24 s HIS 91 Cb -0.84 0.13 0.02 0.00 -1.43 0.00 0.00 32.58 30.46 3i24 s HIS 91 CO 0.51 -0.18 -0.10 0.42 -2.00 0.00 0.00 174.74 173.38 3i24 s ILE 92 N 0.25 2.67 0.26 -5.38 1.09 0.47 -4.50 121.20 116.06 3i24 s ILE 92 Ca -0.01 -0.96 -0.29 0.00 -1.10 0.00 0.00 60.65 58.29 3i24 s ILE 92 Cb -0.03 -2.29 -0.09 0.00 -1.06 0.00 0.00 42.46 38.99 3i24 s ILE 92 CO -0.00 0.31 1.18 -1.00 -0.10 0.00 0.00 174.94 175.33 3i24 s HIS 93 N 1.32 3.42 -0.25 3.97 3.76 0.43 -1.25 115.29 126.69 3i24 s HIS 93 Ca 0.02 1.54 -0.02 0.00 -0.15 0.00 0.00 55.06 56.45 3i24 s HIS 93 Cb -0.15 -3.42 0.08 0.00 1.11 0.00 0.00 32.58 30.19 3i24 s HIS 93 CO -0.07 -1.05 0.05 -1.01 -0.85 0.00 0.00 174.74 171.81 3i24 s HIS 94 N -0.77 1.38 -0.07 1.40 3.76 0.43 -1.53 115.29 119.90 3i24 s HIS 94 Ca 0.48 -1.27 0.05 0.00 -0.15 0.00 0.00 55.06 54.17 3i24 s HIS 94 Cb -0.34 -1.33 -0.00 0.00 1.11 0.00 0.00 32.58 32.02 3i24 s HIS 94 CO 0.42 -0.74 -0.22 0.42 -0.85 0.00 0.00 174.74 173.77 3i24 s ILE 95 N 1.73 1.83 -0.10 0.60 1.01 0.27 -0.61 121.20 125.93 3i24 s ILE 95 Ca 0.03 -0.92 -0.27 0.00 0.00 0.00 0.00 60.65 59.49 3i24 s ILE 95 Cb -0.17 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 3i24 s ILE 95 CO -0.15 0.51 0.88 0.00 0.00 0.00 0.00 174.94 176.18 3i24 s ALA 96 N 0.09 3.38 0.12 9.38 0.00 -0.61 -0.86 121.76 133.26 3i24 s ALA 96 Ca -0.09 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.19 3i24 s ALA 96 Cb -0.15 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3i24 s ALA 96 CO 0.05 -0.45 -0.12 1.03 0.00 0.00 0.00 175.76 176.27 3i24 s ARG 97 N 1.62 2.02 0.03 0.00 1.81 0.10 -4.21 118.95 120.32 3i24 s ARG 97 Ca 0.43 -1.10 0.02 0.00 -1.72 0.00 0.00 55.73 53.36 3i24 s ARG 97 Cb -0.18 -2.23 -0.02 0.00 -0.45 0.00 0.00 34.95 32.07 3i24 s ARG 97 CO 0.18 0.49 -0.07 -0.06 -0.68 0.00 0.00 175.30 175.16 3i24 s PHE 98 N -1.25 0.57 -0.21 -0.53 0.08 -1.26 -0.72 117.98 114.67 3i24 s PHE 98 Ca 0.21 -0.43 0.24 0.00 0.12 0.00 0.00 56.93 57.07 3i24 s PHE 98 Cb -0.11 -0.35 1.21 0.00 -0.57 0.00 0.00 43.02 43.21 3i24 s PHE 98 CO 0.13 -0.08 1.73 1.79 -0.10 0.00 0.00 175.22 178.69 3i24 h THR 99 N 4.61 0.00 -0.02 0.64 1.35 -1.99 -1.69 112.91 115.82 3i24 h THR 99 Ca -0.34 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3i24 h THR 99 Cb 1.20 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3i24 h THR 99 CO 0.42 0.00 -0.38 0.35 -0.25 0.00 0.00 175.52 175.67 3i24 n THR 100 N -2.34 0.00 -1.95 6.82 -2.24 -1.26 -4.85 114.28 108.46 3i24 n THR 100 Ca -0.01 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.19 3i24 n THR 100 Cb 0.10 1.11 0.02 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.42 5.80 0.64 3.42 1.47 -0.64 -4.92 116.67 120.02 3i24 s ASP 101 Ca 0.21 1.71 0.31 0.00 1.18 0.00 0.00 52.55 55.96 3i24 s ASP 101 Cb 0.19 -2.52 1.67 0.00 -0.34 0.00 0.00 42.92 41.92 3i24 s ASP 101 CO 0.53 -1.15 1.98 -0.37 0.68 0.00 0.00 175.17 176.84 3i24 h VAL 102 N 0.15 0.16 0.00 2.11 -1.51 -1.91 -2.57 116.25 112.68 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 1.21 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3i24 h VAL 102 CO 0.58 0.00 -1.20 0.00 -1.23 0.00 0.00 177.57 175.72 3i24 n ALA 103 N -2.08 3.82 -1.71 5.19 0.00 -1.26 -4.97 120.51 119.50 3i24 n ALA 103 Ca 0.01 -0.49 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 3i24 n ALA 103 Cb 0.41 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.68 2.42 0.94 0.00 -0.00 -0.97 -0.49 117.44 117.66 3i24 n TRP 104 Ca 0.01 0.46 0.10 0.00 -0.00 0.00 0.00 57.50 58.07 3i24 n TRP 104 Cb 0.36 -2.47 0.30 0.00 -0.00 0.00 0.00 31.31 29.50 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 1.22 1.93 -1.35 5.87 -0.04 -1.26 -4.99 135.00 136.40 3i24 n PRO 105 Ca 0.07 -1.42 -0.25 0.00 -0.04 0.00 0.00 63.50 61.87 3i24 n PRO 105 Cb 0.35 -1.41 0.18 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.86 3.78 0.55 0.00 0.35 -5.02 105.19 104.20 3i24 n GLY 106 Ca 0.16 -1.63 -0.34 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 -5.30 3.20 0.15 1.61 0.04 -1.26 -4.88 135.00 128.56 3i24 s PRO 107 Ca 0.61 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 3i24 s PRO 107 Cb -0.03 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 3i24 s PRO 107 CO 0.44 -0.93 1.39 0.28 0.04 0.00 0.00 177.00 178.22 3i24 h VAL 108 N 0.62 1.34 -1.80 -0.36 2.07 -1.93 -3.40 116.25 112.78 3i24 h VAL 108 Ca -0.48 -2.05 -0.62 0.00 0.82 0.00 0.00 66.70 64.37 3i24 h VAL 108 Cb 1.24 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 3i24 h VAL 108 CO 0.56 0.63 1.28 0.79 0.02 0.00 0.00 177.57 180.86 3i24 n TRP 109 N -3.88 2.07 -1.00 1.57 8.01 -1.26 -0.91 117.44 122.04 3i24 n TRP 109 Ca -0.05 0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 3i24 n TRP 109 Cb 0.71 -2.66 0.00 0.00 -2.01 0.00 0.00 31.31 27.36 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 5.28 0.66 0.90 6.99 0.00 -1.26 -4.90 105.19 112.86 3i24 n GLY 110 Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.36 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 1.43 -4.97 1.61 3.02 -0.09 -5.07 115.26 111.19 3i24 n ASN 111 Ca 0.00 -3.13 -0.18 0.00 -0.03 0.00 0.00 54.58 51.23 3i24 n ASN 111 Cb 0.00 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 38.73 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 -1.96 3.34 -0.29 3.41 -4.23 -1.24 -4.27 115.64 110.39 3i24 s THR 112 Ca 0.35 -1.08 0.22 0.00 -1.18 0.00 0.00 61.69 60.01 3i24 s THR 112 Cb 0.36 -3.14 0.11 0.00 1.34 0.00 0.00 72.50 71.17 3i24 s THR 112 CO -0.10 -0.06 1.25 0.71 -0.54 0.00 0.00 174.62 175.87 3i24 h THR 113 N 0.82 0.09 0.00 3.99 1.35 -1.96 -3.48 112.91 113.72 3i24 h THR 113 Ca -0.42 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 3i24 h THR 113 Cb 1.27 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3i24 h THR 113 CO 0.50 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 3i24 n GLY 114 N 1.17 1.08 3.76 5.82 0.00 -1.26 -5.03 105.19 110.73 3i24 n GLY 114 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.74 2.19 0.04 1.61 1.01 -1.26 -4.91 120.40 116.33 3i24 s VAL 115 Ca 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 3i24 s VAL 115 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3i24 s VAL 115 CO 0.00 0.03 0.31 -0.63 0.00 0.00 0.00 175.10 174.81 3i24 s ILE 116 N -0.47 5.24 0.30 2.22 -1.09 -1.26 -1.02 121.20 125.12 3i24 s ILE 116 Ca 0.58 0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 58.90 3i24 s ILE 116 Cb -0.46 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 36.72 3i24 s ILE 116 CO 0.53 0.29 1.33 -0.60 -1.23 0.00 0.00 174.94 175.27 3i24 s ARG 117 N -1.95 4.34 0.58 2.79 3.52 -0.94 -4.60 118.95 122.69 3i24 s ARG 117 Ca 0.31 2.22 -0.21 0.00 -0.13 0.00 0.00 55.73 57.92 3i24 s ARG 117 Cb -0.13 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 3i24 s ARG 117 CO 0.18 -0.24 1.35 0.00 -0.81 0.00 0.00 175.30 175.78 3i24 s ALA 118 N -0.78 2.68 0.16 6.12 0.00 -1.26 -4.69 121.76 123.99 3i24 s ALA 118 Ca 0.52 1.32 -0.22 0.00 0.00 0.00 0.00 51.96 53.57 3i24 s ALA 118 Cb -0.40 -3.57 0.05 0.00 0.00 0.00 0.00 23.12 19.20 3i24 s ALA 118 CO 0.49 -1.47 1.62 0.37 0.00 0.00 0.00 175.76 176.77 3i24 h GLN 119 N 1.17 -0.24 -0.91 0.00 5.75 -1.99 0.42 115.11 119.31 3i24 h GLN 119 Ca -0.51 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 3i24 h GLN 119 Cb 1.31 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.87 3i24 h GLN 119 CO 0.56 -0.16 0.54 0.66 -2.65 0.00 0.00 178.83 177.78 3i24 h SER 120 N -0.25 1.10 -0.39 -0.69 4.64 -2.00 -1.20 113.55 114.76 3i24 h SER 120 Ca 0.15 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 3i24 h SER 120 Cb 0.50 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3i24 h SER 120 CO -0.45 0.85 -0.12 -1.28 -0.87 0.00 0.00 176.83 174.96 3i24 h SER 121 N 1.26 0.79 -0.29 4.97 0.87 -1.69 -2.41 113.55 117.04 3i24 h SER 121 Ca 0.33 -0.38 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3i24 h SER 121 Cb -0.04 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3i24 h SER 121 CO -0.06 0.99 0.17 -0.61 -0.53 0.00 0.00 176.83 176.78 3i24 h GLN 122 N 0.59 0.41 -0.54 2.24 4.15 0.19 -1.25 115.11 120.89 3i24 h GLN 122 Ca 0.10 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3i24 h GLN 122 Cb 0.65 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 3i24 h GLN 122 CO 0.04 0.33 0.27 1.15 -1.93 0.00 0.00 178.83 178.70 3i24 h THR 123 N 0.37 1.20 -0.34 2.39 2.02 -1.21 -0.91 112.91 116.42 3i24 h THR 123 Ca 0.10 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 3i24 h THR 123 Cb 0.04 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3i24 h THR 123 CO -0.02 0.22 0.18 -0.61 0.37 0.00 0.00 175.52 175.66 3i24 h GLN 124 N 0.73 0.48 -0.46 6.66 5.75 -1.29 -1.60 115.11 125.39 3i24 h GLN 124 Ca 0.19 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 3i24 h GLN 124 Cb 0.10 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 3i24 h GLN 124 CO -0.03 0.42 0.16 1.25 -2.65 0.00 0.00 178.83 177.98 3i24 h LEU 125 N 0.42 0.66 -0.57 -2.39 5.85 -1.05 -1.76 115.31 116.47 3i24 h LEU 125 Ca 0.12 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i24 h LEU 125 Cb 0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3i24 h LEU 125 CO -0.02 0.68 0.36 0.58 -0.34 0.00 0.00 178.44 179.70 3i24 h VAL 126 N 0.61 1.16 -0.66 1.05 2.07 -1.03 0.11 116.25 119.57 3i24 h VAL 126 Ca 0.15 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3i24 h VAL 126 Cb 0.25 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3i24 h VAL 126 CO -0.01 0.16 0.26 0.44 0.02 0.00 0.00 177.57 178.45 3i24 h ASP 127 N 0.77 0.91 -0.14 0.57 3.32 -1.12 0.11 116.42 120.83 3i24 h ASP 127 Ca 0.21 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3i24 h ASP 127 Cb -0.04 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3i24 h ASP 127 CO -0.04 0.83 0.01 0.25 -1.72 0.00 0.00 179.24 178.57 3i24 h LEU 128 N 0.93 0.24 -0.75 1.55 6.46 -0.99 -1.86 115.31 120.87 3i24 h LEU 128 Ca 0.22 -0.29 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3i24 h LEU 128 Cb 0.21 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 3i24 h LEU 128 CO -0.02 0.47 0.47 -0.07 -0.62 0.00 0.00 178.44 178.67 3i24 h LEU 129 N -0.00 0.77 -1.01 2.25 3.38 -0.56 -0.22 115.31 119.92 3i24 h LEU 129 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3i24 h LEU 129 Cb 0.34 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3i24 h LEU 129 CO 0.01 0.53 0.02 0.03 0.09 0.00 0.00 178.44 179.12 3i24 h ARG 130 N 0.92 0.73 -0.11 1.13 3.08 -0.90 0.16 114.38 119.39 3i24 h ARG 130 Ca 0.31 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3i24 h ARG 130 Cb 0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3i24 h ARG 130 CO -0.12 0.73 0.02 0.22 -1.07 0.00 0.00 179.97 179.75 3i24 h ASP 131 N 0.69 0.16 0.00 7.04 3.58 -0.46 -1.39 116.42 126.05 3i24 h ASP 131 Ca 0.14 -0.25 -0.11 0.00 0.42 0.00 0.00 57.03 57.24 3i24 h ASP 131 Cb 0.39 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 3i24 h ASP 131 CO 0.01 0.37 -0.34 0.11 -2.88 0.00 0.00 179.24 176.52 3i24 h LYS 132 N -0.05 0.47 -0.05 0.28 1.79 -0.83 -2.51 116.57 115.67 3i24 h LYS 132 Ca 0.03 -0.21 -0.08 0.00 -2.18 0.00 0.00 60.65 58.21 3i24 h LYS 132 Cb 0.27 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3i24 h LYS 132 CO 0.00 0.75 -0.35 -0.07 -1.08 0.00 0.00 179.45 178.69 3i24 h LEU 133 N 0.40 0.10 -1.31 2.94 3.38 -0.62 -2.15 115.31 118.05 3i24 h LEU 133 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i24 h LEU 133 Cb 0.78 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3i24 h LEU 133 CO 0.06 0.45 0.00 0.77 0.09 0.00 0.00 178.44 179.81 3i24 h SER 134 N 0.08 0.00 0.29 -0.43 4.64 -0.78 -0.10 113.55 117.25 3i24 h SER 134 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3i24 h SER 134 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3i24 h SER 134 CO 0.05 0.00 -0.10 0.59 -0.87 0.00 0.00 176.83 176.50 3i24 n ASN 135 N -2.49 0.56 -4.72 4.97 3.02 -0.81 -4.76 115.26 111.03 3i24 n ASN 135 Ca 0.00 -0.71 -0.37 0.00 -0.03 0.00 0.00 54.58 53.47 3i24 n ASN 135 Cb 0.17 -0.05 -0.07 0.00 -0.61 0.00 0.00 39.78 39.22 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 -2.39 5.29 0.10 2.41 1.01 -0.05 -5.03 121.20 122.53 3i24 s ILE 136 Ca 0.31 0.61 -0.35 0.00 0.00 0.00 0.00 60.65 61.22 3i24 s ILE 136 Cb 0.20 -3.66 -0.15 0.00 0.01 0.00 0.00 42.46 38.86 3i24 s ILE 136 CO 0.46 0.37 1.48 -0.24 0.00 0.00 0.00 174.94 177.01 3i24 n SER 137 N 3.62 2.40 0.00 3.58 2.88 -1.26 -2.22 113.62 122.62 3i24 n SER 137 Ca -0.11 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 3i24 n SER 137 Cb 0.52 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 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 3.06 1.39 3.76 0.46 0.00 -1.26 -4.71 105.19 107.90 3i24 n GLY 138 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.97 3.18 -0.04 1.61 5.36 -0.94 -3.98 117.98 120.20 3i24 s PHE 139 Ca 0.00 1.43 -0.00 0.00 -0.96 0.00 0.00 56.93 57.40 3i24 s PHE 139 Cb 0.00 -3.60 0.03 0.00 -0.34 0.00 0.00 43.02 39.11 3i24 s PHE 139 CO 0.00 -1.63 0.00 0.15 -1.46 0.00 0.00 175.22 172.28 3i24 s LYS 140 N -1.45 0.37 0.00 10.12 1.02 0.11 -4.93 119.74 124.99 3i24 s LYS 140 Ca 0.49 0.09 0.29 0.00 0.02 0.00 0.00 55.97 56.86 3i24 s LYS 140 Cb -0.38 -0.60 1.20 0.00 -0.52 0.00 0.00 37.83 37.53 3i24 s LYS 140 CO 0.48 -0.17 1.83 2.89 -0.92 0.00 0.00 175.35 179.46