#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dbf s MET 2 N 0.00 2.41 -0.04 2.12 -2.45 -1.25 -4.82 119.30 115.27 1dbf s MET 2 Ca 0.00 1.51 0.04 0.00 -1.25 0.00 0.00 55.69 55.99 1dbf s MET 2 Cb 0.00 -1.89 -0.03 0.00 1.25 0.00 0.00 34.83 34.16 1dbf s MET 2 CO 0.00 -1.58 -0.14 0.42 1.05 0.00 0.00 175.02 174.77 1dbf s ILE 3 N -2.29 3.06 -0.04 10.11 -1.09 -1.26 -1.26 121.20 128.44 1dbf s ILE 3 Ca 0.69 -0.77 -0.05 0.00 -2.23 0.00 0.00 60.65 58.29 1dbf s ILE 3 Cb -0.23 -2.21 0.01 0.00 -1.58 0.00 0.00 42.46 38.44 1dbf s ILE 3 CO 0.45 0.56 0.13 -0.13 -1.23 0.00 0.00 174.94 174.72 1dbf s ARG 4 N -0.83 0.21 0.28 2.79 0.52 0.09 -4.96 118.95 117.04 1dbf s ARG 4 Ca 0.12 0.08 -0.18 0.00 -0.52 0.00 0.00 55.73 55.23 1dbf s ARG 4 Cb -0.11 0.09 -0.09 0.00 0.52 0.00 0.00 34.95 35.37 1dbf s ARG 4 CO 0.01 -0.03 0.76 0.20 0.02 0.00 0.00 175.30 176.26 1dbf s GLY 5 N -0.18 2.51 -0.10 -3.53 0.00 -1.26 -0.97 107.32 103.80 1dbf s GLY 5 Ca -0.03 0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.89 1dbf s GLY 5 CO 0.00 0.46 -0.22 -0.42 0.00 0.00 0.00 173.10 172.93 1dbf s ILE 6 N -1.73 2.28 -0.02 0.90 -1.09 0.15 -4.94 121.20 116.75 1dbf s ILE 6 Ca 0.48 -0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 57.93 1dbf s ILE 6 Cb -0.14 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.82 1dbf s ILE 6 CO 0.19 0.56 0.13 -0.13 -1.23 0.00 0.00 174.94 174.46 1dbf s ARG 7 N 0.24 3.29 0.15 2.79 1.81 -1.26 -0.21 118.95 125.76 1dbf s ARG 7 Ca -0.14 -0.36 -0.09 0.00 -1.72 0.00 0.00 55.73 53.41 1dbf s ARG 7 Cb -0.17 -3.01 -0.00 0.00 -0.45 0.00 0.00 34.95 31.32 1dbf s ARG 7 CO 0.07 0.68 0.28 0.20 -0.68 0.00 0.00 175.30 175.85 1dbf s GLY 8 N -1.73 0.37 0.07 -3.53 0.00 -0.71 -1.45 107.32 100.33 1dbf s GLY 8 Ca 0.24 -0.79 -0.21 0.00 0.00 0.00 0.00 44.72 43.95 1dbf s GLY 8 CO 0.15 -0.80 0.51 0.00 0.00 0.00 0.00 173.10 172.96 1dbf s ALA 9 N -3.94 -1.29 0.31 3.20 0.00 -0.20 -0.38 121.76 119.46 1dbf s ALA 9 Ca 0.14 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1dbf s ALA 9 Cb 0.03 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1dbf s ALA 9 CO -0.02 -0.55 0.62 -0.08 0.00 0.00 0.00 175.76 175.74 1dbf s THR 10 N -2.74 0.00 0.13 0.00 -1.32 0.13 -1.06 115.64 110.78 1dbf s THR 10 Ca -0.04 -1.23 0.02 0.00 -1.21 0.00 0.00 61.69 59.24 1dbf s THR 10 Cb -0.00 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 1dbf s THR 10 CO -0.04 0.00 -0.04 0.42 -2.21 0.00 0.00 174.62 172.75 1dbf s THR 11 N -3.35 0.74 0.21 5.08 -4.23 -1.26 -0.99 115.64 111.84 1dbf s THR 11 Ca 0.19 -1.97 0.11 0.00 -1.18 0.00 0.00 61.69 58.85 1dbf s THR 11 Cb -0.03 -1.88 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 1dbf s THR 11 CO 0.11 -0.70 -0.23 0.68 -0.54 0.00 0.00 174.62 173.94 1dbf s VAL 12 N -3.61 2.40 0.05 2.29 -7.23 -0.72 -4.79 120.40 108.80 1dbf s VAL 12 Ca 0.17 -2.11 0.09 0.00 -1.81 0.00 0.00 61.98 58.33 1dbf s VAL 12 Cb 0.05 -2.18 -0.15 0.00 0.56 0.00 0.00 36.38 34.66 1dbf s VAL 12 CO -0.01 -0.18 1.27 -0.33 -0.31 0.00 0.00 175.10 175.55 1dbf h GLU 13 N 2.99 0.00 -4.70 4.82 4.39 -1.95 -3.46 114.58 116.67 1dbf h GLU 13 Ca -0.45 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 58.89 1dbf h GLU 13 Cb 1.22 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.60 1dbf h GLU 13 CO 0.51 0.85 -0.77 1.03 -1.16 0.00 0.00 179.01 179.47 1dbf s ARG 14 N -2.76 0.65 -1.19 2.33 0.52 -1.26 -5.05 118.95 112.19 1dbf s ARG 14 Ca 0.01 -0.44 -0.17 0.00 -0.52 0.00 0.00 55.73 54.61 1dbf s ARG 14 Cb 0.09 -0.60 -0.04 0.00 0.52 0.00 0.00 34.95 34.93 1dbf s ARG 14 CO 0.80 0.15 2.11 -3.47 0.02 0.00 0.00 175.30 174.91 1dbf n ASP 15 N 2.46 3.36 -4.43 0.23 2.03 -1.26 -4.62 116.55 114.31 1dbf n ASP 15 Ca -0.16 -2.78 -0.25 0.00 0.52 0.00 0.00 54.79 52.13 1dbf n ASP 15 Cb 0.56 -1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 39.40 1dbf n ASP 15 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1dbf s THR 16 N 3.96 2.32 0.24 5.18 -4.23 -1.26 -4.51 115.64 117.34 1dbf s THR 16 Ca 0.51 -2.18 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 1dbf s THR 16 Cb 0.14 -2.16 0.22 0.00 1.34 0.00 0.00 72.50 72.04 1dbf s THR 16 CO -0.01 -0.27 1.87 -0.08 -0.54 0.00 0.00 174.62 175.60 1dbf h GLU 17 N 2.81 1.05 -0.33 3.99 4.81 -1.91 -1.45 114.58 123.55 1dbf h GLU 17 Ca -0.43 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1dbf h GLU 17 Cb 1.23 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1dbf h GLU 17 CO 0.54 0.69 0.15 1.49 -0.73 0.00 0.00 179.01 181.15 1dbf h GLU 18 N 1.08 0.49 -0.15 1.92 4.81 -1.96 0.75 114.58 121.52 1dbf h GLU 18 Ca 0.37 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.33 1dbf h GLU 18 Cb 0.07 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1dbf h GLU 18 CO -0.14 0.46 -0.69 0.93 -0.73 0.00 0.00 179.01 178.85 1dbf h GLU 19 N 0.40 0.63 -0.64 1.92 5.08 -1.83 -0.01 114.58 120.13 1dbf h GLU 19 Ca 0.11 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1dbf h GLU 19 Cb 0.15 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1dbf h GLU 19 CO -0.01 1.09 0.31 0.82 -1.00 0.00 0.00 179.01 180.22 1dbf h ILE 20 N 0.45 1.22 -0.26 3.13 2.04 -1.05 0.89 117.51 123.94 1dbf h ILE 20 Ca -0.02 -0.61 -0.11 0.00 1.00 0.00 0.00 64.86 65.11 1dbf h ILE 20 Cb 1.28 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1dbf h ILE 20 CO 0.13 0.25 -0.28 -0.07 0.00 0.00 0.00 178.15 178.19 1dbf h LEU 21 N 0.88 0.69 -0.32 1.44 3.38 -0.80 -0.66 115.31 119.93 1dbf h LEU 21 Ca 0.22 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1dbf h LEU 21 Cb 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1dbf h LEU 21 CO -0.03 1.03 0.12 -0.61 0.09 0.00 0.00 178.44 179.04 1dbf h GLN 22 N 0.36 0.25 0.03 1.13 4.15 -0.76 0.15 115.11 120.42 1dbf h GLN 22 Ca 0.04 -0.02 -0.22 0.00 0.77 0.00 0.00 58.65 59.23 1dbf h GLN 22 Cb 0.84 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1dbf h GLN 22 CO 0.07 0.17 -0.97 0.87 -1.93 0.00 0.00 178.83 177.03 1dbf h LYS 23 N 0.26 0.19 -0.49 1.69 1.79 -0.78 -1.94 116.57 117.28 1dbf h LYS 23 Ca 0.14 -0.24 -0.08 0.00 -2.18 0.00 0.00 60.65 58.29 1dbf h LYS 23 Cb 0.10 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1dbf h LYS 23 CO -0.14 1.02 -0.00 1.15 -1.08 0.00 0.00 179.45 180.40 1dbf h THR 24 N 0.09 1.26 -0.59 -0.16 2.02 -0.97 -1.23 112.91 113.33 1dbf h THR 24 Ca -0.06 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1dbf h THR 24 Cb 1.65 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1dbf h THR 24 CO 0.15 0.38 0.30 0.50 0.37 0.00 0.00 175.52 177.21 1dbf h LYS 25 N 0.72 0.85 -0.91 6.66 3.64 -0.90 0.20 116.57 126.83 1dbf h LYS 25 Ca 0.14 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1dbf h LYS 25 Cb 0.52 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1dbf h LYS 25 CO 0.03 0.68 0.60 1.96 -2.27 0.00 0.00 179.45 180.44 1dbf h GLN 26 N 0.81 1.15 -0.02 1.90 4.20 -1.19 0.13 115.11 122.09 1dbf h GLN 26 Ca 0.21 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1dbf h GLN 26 Cb 0.10 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 1dbf h GLN 26 CO -0.03 0.76 -0.00 1.25 -0.67 0.00 0.00 178.83 180.14 1dbf h LEU 27 N 1.18 0.03 -0.41 1.46 5.85 -0.73 -1.63 115.31 121.07 1dbf h LEU 27 Ca 0.35 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1dbf h LEU 27 Cb -0.05 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1dbf h LEU 27 CO -0.10 0.35 0.11 0.25 -0.34 0.00 0.00 178.44 178.70 1dbf h LEU 28 N -0.28 0.07 -1.14 2.25 5.85 -0.74 -0.72 115.31 120.60 1dbf h LEU 28 Ca 0.01 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1dbf h LEU 28 Cb 0.33 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1dbf h LEU 28 CO 0.00 0.07 0.40 -0.33 -0.34 0.00 0.00 178.44 178.24 1dbf h GLU 29 N 0.25 0.99 -0.39 1.25 5.08 -0.58 0.28 114.58 121.47 1dbf h GLU 29 Ca 0.19 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1dbf h GLU 29 Cb 0.21 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1dbf h GLU 29 CO -0.23 0.73 -0.39 -0.22 -1.00 0.00 0.00 179.01 177.90 1dbf h LYS 30 N 1.00 0.94 -0.40 2.33 1.63 -0.86 0.14 116.57 121.35 1dbf h LYS 30 Ca 0.26 -0.50 0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1dbf h LYS 30 Cb 0.02 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 1dbf h LYS 30 CO -0.04 1.16 0.24 0.82 -3.45 0.00 0.00 179.45 178.18 1dbf h ILE 31 N 0.77 1.06 -0.65 2.00 2.04 -0.70 -0.24 117.51 121.78 1dbf h ILE 31 Ca 0.06 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1dbf h ILE 31 Cb 0.98 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1dbf h ILE 31 CO 0.10 0.09 0.36 0.40 0.00 0.00 0.00 178.15 179.10 1dbf h ILE 32 N 0.50 1.20 -0.13 -0.67 2.04 -0.73 -1.52 117.51 118.19 1dbf h ILE 32 Ca 0.16 -0.51 -0.22 0.00 1.00 0.00 0.00 64.86 65.28 1dbf h ILE 32 Cb -0.01 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1dbf h ILE 32 CO -0.06 0.22 -0.80 1.05 0.00 0.00 0.00 178.15 178.56 1dbf h GLU 33 N 0.89 0.75 0.00 2.37 -0.00 -0.42 0.11 114.58 118.28 1dbf h GLU 33 Ca 0.23 -0.63 -0.06 0.00 -0.00 0.00 0.00 59.36 58.90 1dbf h GLU 33 Cb 0.04 0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 28.91 1dbf h GLU 33 CO -0.04 1.23 -0.30 0.93 -0.00 0.00 0.00 179.01 180.83 1dbf h GLU 34 N 0.50 0.00 -0.15 1.06 5.08 -0.88 -3.24 114.58 116.95 1dbf h GLU 34 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1dbf h GLU 34 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1dbf h GLU 34 CO 0.16 0.30 0.00 0.09 -1.00 0.00 0.00 179.01 178.56 1dbf n ASN 35 N -3.73 2.49 -3.91 1.42 3.02 -0.59 -4.84 115.26 109.12 1dbf n ASN 35 Ca -0.01 -1.72 -0.30 0.00 -0.03 0.00 0.00 54.58 52.52 1dbf n ASN 35 Cb 0.40 -0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.51 1dbf n ASN 35 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1dbf n HIS 36 N 0.79 -2.27 -2.56 3.10 8.25 -0.02 -4.89 115.22 117.61 1dbf n HIS 36 Ca 0.10 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 58.04 1dbf n HIS 36 Cb 0.39 -3.99 -0.03 0.00 1.12 0.00 0.00 29.99 27.49 1dbf n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1dbf s THR 37 N -3.33 4.47 -0.15 1.59 2.01 -0.93 -5.03 115.64 114.28 1dbf s THR 37 Ca 0.62 1.78 -0.08 0.00 0.31 0.00 0.00 61.69 64.32 1dbf s THR 37 Cb -0.31 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1dbf s THR 37 CO 0.83 0.04 0.14 -0.54 -0.69 0.00 0.00 174.62 174.40 1dbf s LYS 38 N 1.81 3.73 0.40 4.92 1.02 -1.26 -4.91 119.74 125.45 1dbf s LYS 38 Ca 0.53 -0.16 0.07 0.00 0.02 0.00 0.00 55.97 56.43 1dbf s LYS 38 Cb -0.23 -3.28 0.84 0.00 -0.52 0.00 0.00 37.83 34.64 1dbf s LYS 38 CO 0.23 0.60 2.03 -1.00 -0.92 0.00 0.00 175.35 176.28 1dbf h PRO 39 N 5.63 0.49 0.00 -1.68 0.13 -1.96 -1.31 132.00 133.29 1dbf h PRO 39 Ca -0.50 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1dbf h PRO 39 Cb 1.20 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1dbf h PRO 39 CO 0.65 0.37 0.00 1.05 -0.23 0.00 0.00 178.00 179.84 1dbf h GLU 40 N 0.49 0.00 -0.01 0.86 9.09 -1.95 -1.28 114.58 121.78 1dbf h GLU 40 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1dbf h GLU 40 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1dbf h GLU 40 CO -0.02 0.00 -0.13 -0.25 0.05 0.00 0.00 179.01 178.66 1dbf n ASP 41 N -2.38 1.26 -4.61 3.06 8.00 -0.50 -4.82 116.55 116.56 1dbf n ASP 41 Ca 0.01 -1.19 -0.42 0.00 0.71 0.00 0.00 54.79 53.90 1dbf n ASP 41 Cb 0.20 0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1dbf n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1dbf s VAL 42 N -2.25 4.75 0.07 2.53 1.01 -0.48 -0.91 120.40 125.12 1dbf s VAL 42 Ca 0.31 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 1dbf s VAL 42 Cb 0.20 -4.19 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 1dbf s VAL 42 CO 0.43 -0.30 1.65 0.58 0.00 0.00 0.00 175.10 177.45 1dbf h VAL 43 N 5.63 0.83 -1.59 2.92 2.07 -0.78 -3.45 116.25 121.88 1dbf h VAL 43 Ca -0.24 -0.11 0.31 0.00 0.82 0.00 0.00 66.70 67.48 1dbf h VAL 43 Cb 1.09 0.90 -0.11 0.00 -1.52 0.00 0.00 31.29 31.65 1dbf h VAL 43 CO 0.91 0.03 0.79 0.00 0.02 0.00 0.00 177.57 179.31 1dbf s GLN 44 N -5.93 0.50 0.02 1.57 -2.07 -1.19 -4.52 119.66 108.05 1dbf s GLN 44 Ca -0.14 -0.28 0.01 0.00 -1.82 0.00 0.00 55.36 53.12 1dbf s GLN 44 Cb 0.05 0.17 -0.02 0.00 -1.09 0.00 0.00 33.01 32.12 1dbf s GLN 44 CO 0.64 -0.23 -0.04 1.41 -1.32 0.00 0.00 175.29 175.75 1dbf s MET 45 N -2.51 0.34 -0.01 9.60 1.75 -0.14 -0.81 119.30 127.53 1dbf s MET 45 Ca 0.15 -0.60 0.08 0.00 -1.25 0.00 0.00 55.69 54.06 1dbf s MET 45 Cb 0.04 0.00 -0.02 0.00 2.84 0.00 0.00 34.83 37.69 1dbf s MET 45 CO -0.03 -0.02 -0.24 -0.51 -0.65 0.00 0.00 175.02 173.56 1dbf s LEU 46 N -1.38 2.06 -0.06 4.11 1.43 -0.36 -2.25 118.68 122.23 1dbf s LEU 46 Ca -0.13 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1dbf s LEU 46 Cb -0.09 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.89 1dbf s LEU 46 CO -0.01 0.29 -0.11 -0.76 0.23 0.00 0.00 176.35 175.99 1dbf s LEU 47 N -0.65 1.66 0.21 1.79 1.02 -0.60 -1.21 118.68 120.89 1dbf s LEU 47 Ca 0.10 -0.27 0.08 0.00 0.02 0.00 0.00 54.13 54.05 1dbf s LEU 47 Cb -0.09 -0.76 -0.04 0.00 0.02 0.00 0.00 46.19 45.31 1dbf s LEU 47 CO -0.01 0.04 0.05 -0.94 0.02 0.00 0.00 176.35 175.51 1dbf s SER 48 N 0.56 4.92 -0.01 2.29 1.04 0.54 -1.48 113.70 121.56 1dbf s SER 48 Ca -0.12 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1dbf s SER 48 Cb -0.14 -1.08 -0.01 0.00 0.10 0.00 0.00 66.02 64.89 1dbf s SER 48 CO 0.03 0.04 -0.11 0.00 0.98 0.00 0.00 173.24 174.18 1dbf s ALA 49 N -1.97 0.89 0.80 5.32 0.00 -0.68 -0.97 121.76 125.15 1dbf s ALA 49 Ca 0.30 -0.45 -0.13 0.00 0.00 0.00 0.00 51.96 51.67 1dbf s ALA 49 Cb -0.08 -0.23 0.08 0.00 0.00 0.00 0.00 23.12 22.88 1dbf s ALA 49 CO 0.21 0.21 1.20 0.95 0.00 0.00 0.00 175.76 178.33 1dbf s THR 50 N -0.23 2.14 -2.00 0.00 -4.23 -0.82 -0.53 115.64 109.97 1dbf s THR 50 Ca 0.04 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 1dbf s THR 50 Cb -0.04 -2.47 0.22 0.00 1.34 0.00 0.00 72.50 71.54 1dbf s THR 50 CO -0.00 -0.04 1.00 -0.81 -0.54 0.00 0.00 174.62 174.22 1dbf n PRO 51 N -3.26 0.64 -0.05 3.99 -0.04 -1.26 -1.79 135.00 133.23 1dbf n PRO 51 Ca 0.13 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1dbf n PRO 51 Cb 0.51 -1.18 0.30 0.00 -0.04 0.00 0.00 33.50 33.08 1dbf n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1dbf n ASP 52 N -0.68 2.37 -4.36 3.54 5.68 -1.26 -4.87 116.55 116.97 1dbf n ASP 52 Ca 0.06 -1.79 -0.35 0.00 -0.50 0.00 0.00 54.79 52.20 1dbf n ASP 52 Cb 0.03 -0.06 -0.13 0.00 -1.14 0.00 0.00 41.12 39.81 1dbf n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1dbf s LEU 53 N -1.84 3.05 0.00 -2.12 1.43 -0.74 -4.86 118.68 113.60 1dbf s LEU 53 Ca 0.34 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1dbf s LEU 53 Cb 0.20 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1dbf s LEU 53 CO 0.31 -0.00 0.08 1.41 0.23 0.00 0.00 176.35 178.37 1dbf n HIS 54 N 4.67 0.00 0.17 0.29 8.25 -1.26 -4.91 115.22 122.44 1dbf n HIS 54 Ca -0.18 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.32 1dbf n HIS 54 Cb 0.51 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.90 1dbf n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dbf h ALA 55 N 0.00 0.96 -2.33 -1.41 0.00 -1.91 -3.46 119.26 111.11 1dbf h ALA 55 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1dbf h ALA 55 Cb 0.16 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.71 1dbf h ALA 55 CO 0.00 0.55 0.35 0.54 0.00 0.00 0.00 179.25 180.69 1dbf s VAL 56 N -3.55 0.00 -0.09 0.00 0.11 -1.26 -4.61 120.40 111.00 1dbf s VAL 56 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1dbf s VAL 56 Cb 0.11 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 1dbf s VAL 56 CO 0.71 0.00 1.26 -0.36 -3.33 0.00 0.00 175.10 173.38 1dbf s PHE 57 N -2.60 2.97 0.57 1.54 0.08 -1.26 -4.93 117.98 114.35 1dbf s PHE 57 Ca -0.01 1.05 0.40 0.00 0.12 0.00 0.00 56.93 58.50 1dbf s PHE 57 Cb -0.01 -3.50 2.14 0.00 -0.57 0.00 0.00 43.02 41.09 1dbf s PHE 57 CO -0.05 -1.68 2.29 -1.35 -0.10 0.00 0.00 175.22 174.33 1dbf h PRO 58 N 7.87 0.00 -0.01 0.24 0.11 -1.94 -1.05 132.00 137.22 1dbf h PRO 58 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1dbf h PRO 58 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1dbf h PRO 58 CO 0.92 0.01 0.05 0.00 -0.21 0.00 0.00 178.00 178.77 1dbf h ALA 59 N 1.99 1.19 -0.79 -0.75 0.00 -1.92 -1.38 119.26 117.61 1dbf h ALA 59 Ca -0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1dbf h ALA 59 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1dbf h ALA 59 CO 0.00 -0.06 0.51 -0.22 0.00 0.00 0.00 179.25 179.49 1dbf h LYS 60 N 0.00 0.67 -0.20 0.00 3.64 -1.59 -0.51 116.57 118.58 1dbf h LYS 60 Ca 0.01 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1dbf h LYS 60 Cb 0.10 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1dbf h LYS 60 CO -0.00 0.44 -0.10 0.00 -2.27 0.00 0.00 179.45 177.53 1dbf h ALA 61 N 1.61 1.47 -0.16 5.00 0.00 -1.47 -0.59 119.26 125.13 1dbf h ALA 61 Ca 0.37 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1dbf h ALA 61 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1dbf h ALA 61 CO -0.14 0.37 -0.32 0.28 0.00 0.00 0.00 179.25 179.44 1dbf h VAL 62 N 0.30 1.36 0.00 0.00 2.07 -1.27 -2.66 116.25 116.04 1dbf h VAL 62 Ca 0.06 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1dbf h VAL 62 Cb 0.36 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1dbf h VAL 62 CO 0.02 0.47 -0.16 0.03 0.02 0.00 0.00 177.57 177.95 1dbf h ARG 63 N 0.12 0.00 -0.00 1.57 3.08 -0.88 -2.05 114.38 116.22 1dbf h ARG 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dbf h ARG 63 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1dbf h ARG 63 CO 0.07 0.16 -0.57 0.39 -1.07 0.00 0.00 179.97 178.96 1dbf n GLU 64 N -3.69 0.30 -2.35 0.04 1.02 -0.26 -4.45 120.64 111.25 1dbf n GLU 64 Ca -0.02 -0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.49 1dbf n GLU 64 Cb 0.28 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 1dbf n GLU 64 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1dbf s LEU 65 N -2.84 4.32 -0.02 -4.62 2.96 -0.77 -4.92 118.68 112.79 1dbf s LEU 65 Ca 0.14 2.00 -0.36 0.00 -0.22 0.00 0.00 54.13 55.68 1dbf s LEU 65 Cb 0.18 -3.57 -0.15 0.00 0.50 0.00 0.00 46.19 43.15 1dbf s LEU 65 CO 0.69 -0.60 1.59 -1.20 -1.32 0.00 0.00 176.35 175.51 1dbf n SER 66 N 4.85 2.48 0.00 3.68 7.64 -1.26 -0.85 113.62 130.15 1dbf n SER 66 Ca 0.11 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1dbf n SER 66 Cb 0.45 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1dbf n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dbf n GLY 67 N 3.47 1.56 1.27 0.23 0.00 -1.26 -4.87 105.19 105.58 1dbf n GLY 67 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1dbf n GLY 67 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dbf n TRP 68 N -2.00 0.91 0.57 1.61 7.02 -0.03 -4.62 117.44 120.91 1dbf n TRP 68 Ca 0.00 -0.50 0.08 0.00 -1.02 0.00 0.00 57.50 56.07 1dbf n TRP 68 Cb 0.00 -0.00 0.37 0.00 -2.42 0.00 0.00 31.31 29.25 1dbf n TRP 68 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1dbf n GLN 69 N 1.51 0.01 -0.15 -0.99 0.00 -1.26 -1.43 117.38 115.07 1dbf n GLN 69 Ca 0.23 0.22 0.07 0.00 0.00 0.00 0.00 57.00 57.52 1dbf n GLN 69 Cb 0.60 -1.52 0.15 0.00 0.00 0.00 0.00 30.24 29.47 1dbf n GLN 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1dbf n TYR 70 N -1.54 0.40 -2.48 2.61 4.01 -1.26 -4.94 117.16 113.96 1dbf n TYR 70 Ca 0.04 -0.34 -0.43 0.00 -0.16 0.00 0.00 57.90 57.01 1dbf n TYR 70 Cb 0.20 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 1dbf n TYR 70 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1dbf s VAL 71 N -1.06 4.29 0.16 -0.72 1.01 -0.51 -4.99 120.40 118.58 1dbf s VAL 71 Ca 0.26 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1dbf s VAL 71 Cb 0.14 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1dbf s VAL 71 CO 0.20 -0.36 1.27 -2.16 0.00 0.00 0.00 175.10 174.05 1dbf s PRO 72 N 3.81 4.41 0.02 2.72 0.04 -1.26 -4.90 135.00 139.84 1dbf s PRO 72 Ca 0.53 1.97 -0.07 0.00 0.04 0.00 0.00 61.00 63.47 1dbf s PRO 72 Cb -0.17 -3.24 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1dbf s PRO 72 CO 0.18 -0.23 0.13 0.54 0.04 0.00 0.00 177.00 177.65 1dbf s VAL 73 N 0.33 0.10 0.23 -0.36 0.11 -1.26 -0.97 120.40 118.59 1dbf s VAL 73 Ca 0.57 -0.82 -0.17 0.00 -2.93 0.00 0.00 61.98 58.63 1dbf s VAL 73 Cb -0.34 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1dbf s VAL 73 CO 0.35 -0.45 0.56 0.28 -3.33 0.00 0.00 175.10 172.51 1dbf s THR 74 N -1.82 0.01 0.35 5.04 -1.32 -0.95 -4.98 115.64 111.97 1dbf s THR 74 Ca -0.11 -1.02 0.09 0.00 -1.21 0.00 0.00 61.69 59.43 1dbf s THR 74 Cb -0.05 -1.87 -0.06 0.00 -1.51 0.00 0.00 72.50 69.01 1dbf s THR 74 CO -0.01 -0.05 -0.01 0.00 -2.21 0.00 0.00 174.62 172.35 1dbf s MET 76 N -3.70 1.31 0.03 0.00 0.23 -0.55 -4.90 119.30 111.71 1dbf s MET 76 Ca 0.35 -0.87 -0.27 0.00 -1.03 0.00 0.00 55.69 53.86 1dbf s MET 76 Cb 0.02 0.50 -0.05 0.00 -1.53 0.00 0.00 34.83 33.77 1dbf s MET 76 CO 0.19 -0.54 0.87 -1.14 -2.03 0.00 0.00 175.02 172.36 1dbf s GLN 77 N -3.87 4.56 0.64 3.16 0.74 -1.26 -1.69 119.66 121.94 1dbf s GLN 77 Ca 0.09 1.24 -0.15 0.00 0.05 0.00 0.00 55.36 56.59 1dbf s GLN 77 Cb -0.00 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.69 1dbf s GLN 77 CO -0.04 0.14 1.10 -2.00 -0.55 0.00 0.00 175.29 173.94 1dbf s GLU 78 N 0.39 2.92 0.54 1.67 2.56 0.31 -4.85 118.70 122.25 1dbf s GLU 78 Ca 0.44 1.37 -0.19 0.00 0.00 0.00 0.00 54.97 56.58 1dbf s GLU 78 Cb -0.21 -1.97 -0.06 0.00 2.00 0.00 0.00 34.13 33.89 1dbf s GLU 78 CO 0.25 -1.15 1.12 0.00 -0.56 0.00 0.00 175.26 174.92 1dbf s MET 79 N -4.06 3.40 -0.85 4.30 0.23 -1.26 -4.52 119.30 116.54 1dbf s MET 79 Ca 0.67 1.58 -0.20 0.00 -1.03 0.00 0.00 55.69 56.71 1dbf s MET 79 Cb -0.20 -2.02 0.11 0.00 -1.53 0.00 0.00 34.83 31.20 1dbf s MET 79 CO 0.40 -0.80 1.07 0.34 -2.03 0.00 0.00 175.02 174.00 1dbf s ASP 80 N -1.80 6.50 -0.08 -1.18 2.15 -1.26 -4.92 116.67 116.08 1dbf s ASP 80 Ca 0.72 -1.77 -0.12 0.00 0.43 0.00 0.00 52.55 51.81 1dbf s ASP 80 Cb -0.23 -2.40 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 1dbf s ASP 80 CO 0.26 -1.16 0.30 -0.69 -0.17 0.00 0.00 175.17 173.72 1dbf s VAL 81 N 3.03 5.24 0.18 1.11 1.01 -1.26 -5.03 120.40 124.68 1dbf s VAL 81 Ca 0.29 0.59 -0.32 0.00 0.00 0.00 0.00 61.98 62.55 1dbf s VAL 81 Cb -0.08 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.57 1dbf s VAL 81 CO -0.04 0.53 1.78 0.41 0.00 0.00 0.00 175.10 177.77 1dbf n THR 82 N 2.41 0.15 -1.00 3.92 -1.04 -1.26 -1.10 114.28 116.37 1dbf n THR 82 Ca -0.15 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1dbf n THR 82 Cb 0.53 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 1dbf n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dbf n GLY 83 N 4.09 0.29 3.76 3.41 0.00 -1.26 -5.02 105.19 110.47 1dbf n GLY 83 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1dbf n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dbf s GLY 84 N -2.00 2.26 0.06 -0.02 0.00 -0.25 -4.94 107.32 102.42 1dbf s GLY 84 Ca 0.00 0.64 -0.34 0.00 0.00 0.00 0.00 44.72 45.02 1dbf s GLY 84 CO 0.00 1.01 1.69 -0.10 0.00 0.00 0.00 173.10 175.70 1dbf n LEU 85 N -2.30 3.20 -4.87 0.66 7.94 -1.26 -4.97 117.00 115.40 1dbf n LEU 85 Ca 0.11 1.04 -0.30 0.00 -1.11 0.00 0.00 56.01 55.75 1dbf n LEU 85 Cb 0.51 -1.40 0.05 0.00 0.53 0.00 0.00 43.42 43.11 1dbf n LEU 85 CO 0.47 -0.21 0.74 -0.54 -1.11 0.00 0.00 177.39 176.74 1dbf s LYS 86 N 2.14 2.87 -1.41 1.96 1.02 -1.26 -4.40 119.74 120.66 1dbf s LYS 86 Ca 0.84 0.54 -0.02 0.00 0.02 0.00 0.00 55.97 57.35 1dbf s LYS 86 Cb -0.69 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1dbf s LYS 86 CO 0.43 -1.04 0.39 1.63 -0.92 0.00 0.00 175.35 175.84 1dbf n LYS 87 N -3.03 -2.78 -5.21 1.68 5.02 -1.26 -4.81 118.16 107.77 1dbf n LYS 87 Ca 0.07 0.36 -0.32 0.00 -2.02 0.00 0.00 58.31 56.40 1dbf n LYS 87 Cb 0.56 -4.33 -0.16 0.00 -0.02 0.00 0.00 35.03 31.09 1dbf n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dbf s ILE 89 N -0.15 3.71 0.06 0.00 1.01 -0.16 -1.94 121.20 123.74 1dbf s ILE 89 Ca -0.04 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.29 1dbf s ILE 89 Cb -0.14 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1dbf s ILE 89 CO 0.04 0.46 -0.19 -0.13 0.00 0.00 0.00 174.94 175.12 1dbf s ARG 90 N 0.76 1.96 -0.02 2.79 0.52 -0.14 -0.70 118.95 124.13 1dbf s ARG 90 Ca -0.02 -1.05 0.07 0.00 -0.52 0.00 0.00 55.73 54.22 1dbf s ARG 90 Cb -0.15 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 1dbf s ARG 90 CO 0.02 0.52 -0.23 0.08 0.02 0.00 0.00 175.30 175.71 1dbf s VAL 91 N -0.98 1.83 -0.29 3.52 1.01 0.49 -0.34 120.40 125.64 1dbf s VAL 91 Ca 0.15 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1dbf s VAL 91 Cb -0.10 -1.52 0.08 0.00 0.00 0.00 0.00 36.38 34.83 1dbf s VAL 91 CO 0.06 0.52 -0.02 -0.32 0.00 0.00 0.00 175.10 175.34 1dbf s MET 92 N -0.53 1.72 -0.29 2.72 1.75 -0.35 -1.74 119.30 122.58 1dbf s MET 92 Ca 0.08 -1.46 -0.10 0.00 -1.25 0.00 0.00 55.69 52.97 1dbf s MET 92 Cb -0.09 -2.88 -0.02 0.00 2.84 0.00 0.00 34.83 34.67 1dbf s MET 92 CO -0.01 -0.74 0.15 1.41 -0.65 0.00 0.00 175.02 175.18 1dbf s MET 93 N 1.12 3.54 -0.26 4.11 1.75 0.71 -1.22 119.30 129.05 1dbf s MET 93 Ca 0.00 -0.58 -0.14 0.00 -1.25 0.00 0.00 55.69 53.73 1dbf s MET 93 Cb -0.19 -3.55 -0.04 0.00 2.84 0.00 0.00 34.83 33.89 1dbf s MET 93 CO -0.08 -0.32 0.32 0.99 -0.65 0.00 0.00 175.02 175.28 1dbf s THR 94 N 1.65 5.23 0.08 10.11 2.01 0.01 0.33 115.64 135.06 1dbf s THR 94 Ca 0.06 0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.57 1dbf s THR 94 Cb -0.16 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1dbf s THR 94 CO 0.07 0.21 -0.11 0.68 -0.69 0.00 0.00 174.62 174.78 1dbf s VAL 95 N 1.76 0.94 -0.15 3.82 -7.23 -0.14 -0.05 120.40 119.34 1dbf s VAL 95 Ca 0.13 -1.40 -0.26 0.00 -1.81 0.00 0.00 61.98 58.64 1dbf s VAL 95 Cb -0.15 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 1dbf s VAL 95 CO 0.09 -0.39 0.86 -1.58 -0.31 0.00 0.00 175.10 173.77 1dbf s GLN 96 N -2.14 4.34 -0.16 4.82 0.74 -0.08 -0.73 119.66 126.44 1dbf s GLN 96 Ca -0.00 1.09 -0.29 0.00 0.05 0.00 0.00 55.36 56.21 1dbf s GLN 96 Cb -0.07 -3.56 0.10 0.00 1.10 0.00 0.00 33.01 30.59 1dbf s GLN 96 CO 0.01 -0.30 0.89 -0.08 -0.55 0.00 0.00 175.29 175.27 1dbf s THR 97 N 2.02 0.00 -2.48 -0.34 -1.32 -0.39 -4.94 115.64 108.19 1dbf s THR 97 Ca 0.41 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.11 1dbf s THR 97 Cb -0.17 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.23 1dbf s THR 97 CO 0.14 0.00 1.44 -0.90 -2.21 0.00 0.00 174.62 173.09 1dbf n ASP 98 N 1.27 2.88 -4.72 8.08 5.75 -1.26 -3.90 116.55 124.65 1dbf n ASP 98 Ca -0.13 -1.91 -0.42 0.00 -0.01 0.00 0.00 54.79 52.32 1dbf n ASP 98 Cb 0.57 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 1dbf n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1dbf s VAL 99 N -1.64 3.32 0.62 2.12 1.01 -1.26 -4.97 120.40 119.60 1dbf s VAL 99 Ca 0.36 0.99 -0.19 0.00 0.00 0.00 0.00 61.98 63.15 1dbf s VAL 99 Cb 0.21 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1dbf s VAL 99 CO 0.30 0.10 1.16 -2.65 0.00 0.00 0.00 175.10 174.01 1dbf n PRO 100 N 3.44 1.09 -0.34 2.72 -0.02 -1.26 -4.80 135.00 135.83 1dbf n PRO 100 Ca 0.09 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.08 1dbf n PRO 100 Cb 0.43 -2.38 0.28 0.00 -0.02 0.00 0.00 33.50 31.81 1dbf n PRO 100 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1dbf h GLN 101 N 0.62 0.88 0.00 -0.52 4.15 -1.98 0.19 115.11 118.45 1dbf h GLN 101 Ca -0.50 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.87 1dbf h GLN 101 Cb 1.35 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1dbf h GLN 101 CO 0.53 0.58 0.00 -0.40 -1.93 0.00 0.00 178.83 177.61 1dbf n ASP 102 N -4.61 0.00 -0.16 -0.69 5.68 -1.26 -3.08 116.55 112.43 1dbf n ASP 102 Ca 0.19 -1.16 0.03 0.00 -0.50 0.00 0.00 54.79 53.34 1dbf n ASP 102 Cb 0.39 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.38 1dbf n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dbf n GLN 103 N -0.89 1.70 -1.73 0.11 6.02 0.66 -5.01 117.38 118.24 1dbf n GLN 103 Ca 0.18 -0.57 -0.40 0.00 -0.01 0.00 0.00 57.00 56.20 1dbf n GLN 103 Cb 0.08 -0.99 0.02 0.00 1.02 0.00 0.00 30.24 30.37 1dbf n GLN 103 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1dbf n ILE 104 N -0.16 2.75 -3.65 5.09 2.08 -1.04 -4.94 119.36 119.48 1dbf n ILE 104 Ca 0.03 -0.50 -0.39 0.00 0.56 0.00 0.00 62.75 62.45 1dbf n ILE 104 Cb 0.13 -1.67 -0.10 0.00 -0.75 0.00 0.00 39.64 37.25 1dbf n ILE 104 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1dbf s ARG 105 N -2.35 2.44 0.22 0.38 0.52 -1.26 -5.06 118.95 113.83 1dbf s ARG 105 Ca 0.62 -1.58 -0.25 0.00 -0.52 0.00 0.00 55.73 53.99 1dbf s ARG 105 Cb -0.48 -3.72 -0.09 0.00 0.52 0.00 0.00 34.95 31.18 1dbf s ARG 105 CO 0.57 -1.00 0.83 -1.01 0.02 0.00 0.00 175.30 174.71 1dbf s HIS 106 N 1.34 3.84 -0.12 -0.53 3.76 -1.26 -4.83 115.29 117.49 1dbf s HIS 106 Ca 0.04 1.68 0.02 0.00 -0.15 0.00 0.00 55.06 56.65 1dbf s HIS 106 Cb -0.23 -2.82 0.01 0.00 1.11 0.00 0.00 32.58 30.66 1dbf s HIS 106 CO -0.00 0.42 -0.16 0.08 -0.85 0.00 0.00 174.74 174.22 1dbf s VAL 107 N -1.31 1.63 -0.15 -0.90 1.01 -0.53 -5.00 120.40 115.15 1dbf s VAL 107 Ca 0.41 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1dbf s VAL 107 Cb -0.22 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.72 1dbf s VAL 107 CO 0.26 0.47 -0.04 -0.31 0.00 0.00 0.00 175.10 175.48 1dbf s TYR 108 N 1.03 1.48 0.40 5.22 2.02 -1.26 -1.03 117.35 125.21 1dbf s TYR 108 Ca -0.05 -0.92 0.07 0.00 -0.37 0.00 0.00 57.07 55.81 1dbf s TYR 108 Cb -0.15 -1.21 -0.07 0.00 -0.40 0.00 0.00 41.96 40.13 1dbf s TYR 108 CO -0.03 -0.57 0.02 -0.51 -1.57 0.00 0.00 175.55 172.89 1dbf s LEU 109 N 1.71 2.90 0.00 -1.29 1.43 -0.23 -4.22 118.68 118.98 1dbf s LEU 109 Ca 0.01 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1dbf s LEU 109 Cb -0.15 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1dbf s LEU 109 CO -0.07 -0.44 0.00 -0.62 0.23 0.00 0.00 176.35 175.45 1dbf n GLU 110 N -0.99 0.00 0.08 1.70 -0.58 -1.26 -0.80 120.64 118.79 1dbf n GLU 110 Ca -0.04 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.80 1dbf n GLU 110 Cb 0.66 0.00 0.42 0.00 -0.57 0.00 0.00 31.44 31.96 1dbf n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1dbf n LYS 111 N 14.00 0.12 0.00 3.49 5.02 -1.26 -1.57 118.16 137.96 1dbf n LYS 111 Ca 0.00 0.35 0.06 0.00 -2.02 0.00 0.00 58.31 56.71 1dbf n LYS 111 Cb 0.00 -1.73 0.37 0.00 -0.02 0.00 0.00 35.03 33.66 1dbf n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dbf n ALA 112 N -1.67 2.49 0.25 7.82 0.00 0.02 -3.13 120.51 126.28 1dbf n ALA 112 Ca 0.03 -0.08 0.17 0.00 0.00 0.00 0.00 53.44 53.56 1dbf n ALA 112 Cb 0.21 -1.20 0.89 0.00 0.00 0.00 0.00 19.45 19.34 1dbf n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1dbf h VAL 113 N 0.00 0.41 0.00 0.00 -1.51 -1.22 0.03 116.25 113.96 1dbf h VAL 113 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1dbf h VAL 113 Cb 0.00 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1dbf h VAL 113 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 177.57 177.96 1dbf h VAL 114 N 0.00 0.00 -0.00 7.19 3.04 -1.82 -1.72 116.25 122.94 1dbf h VAL 114 Ca 0.05 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1dbf h VAL 114 Cb 0.34 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1dbf h VAL 114 CO -0.00 0.00 -0.06 0.18 -1.01 0.00 0.00 177.57 176.68 1dbf n LEU 115 N -2.48 0.31 -4.68 3.16 4.77 -0.00 -2.87 117.00 115.20 1dbf n LEU 115 Ca 0.01 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1dbf n LEU 115 Cb 0.19 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1dbf n LEU 115 CO 0.19 0.06 1.34 -0.13 -1.33 0.00 0.00 177.39 177.52 1dbf s ARG 116 N -2.41 4.19 0.44 3.23 0.52 -0.65 -4.81 118.95 119.46 1dbf s ARG 116 Ca 0.32 2.32 0.23 0.00 -0.52 0.00 0.00 55.73 58.08 1dbf s ARG 116 Cb 0.20 -3.67 1.22 0.00 0.52 0.00 0.00 34.95 33.22 1dbf s ARG 116 CO 0.45 -0.75 1.79 -1.35 0.02 0.00 0.00 175.30 175.46 1dbf h PRO 117 N 8.55 0.28 -0.00 3.54 0.11 -1.90 0.68 132.00 143.26 1dbf h PRO 117 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1dbf h PRO 117 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1dbf h PRO 117 CO 0.93 0.19 -0.03 -0.40 -0.21 0.00 0.00 178.00 178.48 1dbf n ASP 118 N -4.51 0.11 -0.01 -2.05 5.68 -1.26 -3.90 116.55 110.62 1dbf n ASP 118 Ca 0.24 -0.29 -0.01 0.00 -0.50 0.00 0.00 54.79 54.23 1dbf n ASP 118 Cb 0.94 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 40.69 1dbf n ASP 118 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1dbf n LEU 119 N -1.20 0.25 -0.33 -2.12 4.77 0.20 -4.75 117.00 113.82 1dbf n LEU 119 Ca 0.15 -0.00 0.36 0.00 -0.03 0.00 0.00 56.01 56.49 1dbf n LEU 119 Cb 0.24 0.03 0.73 0.00 -2.33 0.00 0.00 43.42 42.09 1dbf n LEU 119 CO 0.23 0.09 1.33 -1.28 -1.33 0.00 0.00 177.39 176.43 1dbf h SER 120 N 0.00 0.00 0.41 -1.43 0.87 -0.30 0.84 113.55 113.94 1dbf h SER 120 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1dbf h SER 120 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1dbf h SER 120 CO 0.00 0.00 -0.59 0.00 -0.53 0.00 0.00 176.83 175.71 1dbf n LEU 121 N -3.96 0.59 0.05 2.23 -0.00 -1.26 -4.46 117.00 110.19 1dbf n LEU 121 Ca 0.26 -0.09 0.04 0.00 -0.00 0.00 0.00 56.01 56.23 1dbf n LEU 121 Cb 1.35 -0.20 0.46 0.00 -0.00 0.00 0.00 43.42 45.02 1dbf n LEU 121 CO 0.38 0.15 1.13 0.74 -0.00 0.00 0.00 177.39 179.78 1dbf h THR 122 N 0.00 1.09 0.00 1.47 2.02 -1.12 0.07 112.91 116.45 1dbf h THR 122 Ca 0.00 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1dbf h THR 122 Cb 0.50 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1dbf h THR 122 CO 0.00 0.10 -0.09 0.07 0.37 0.00 0.00 175.52 175.96 1dbf h LYS 123 N 0.44 0.00 0.00 6.66 2.10 -1.78 -2.29 116.57 121.70 1dbf h LYS 123 Ca 0.12 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.74 1dbf h LYS 123 Cb -0.02 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1dbf h LYS 123 CO -0.02 0.09 -0.11 -0.91 -2.00 0.00 0.00 179.45 176.50 1dbf h ASN 124 N 0.00 0.00 0.71 7.07 2.35 -1.18 0.55 115.58 125.08 1dbf h ASN 124 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dbf h ASN 124 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1dbf h ASN 124 CO 0.01 0.11 0.00 0.35 -1.65 0.00 0.00 177.43 176.26 1dbf n THR 125 N -3.69 0.80 -0.02 2.81 -2.24 -0.86 -4.16 114.28 106.92 1dbf n THR 125 Ca -0.02 0.17 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 1dbf n THR 125 Cb 0.23 -0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 67.46 1dbf n THR 125 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dbf n GLU 126 N -1.79 2.24 0.00 -0.78 -0.58 0.09 -5.19 120.64 114.63 1dbf n GLU 126 Ca 0.04 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1dbf n GLU 126 Cb 0.23 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1dbf n GLU 126 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12