#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 3.94 0.10 3.17 -2.45 -1.26 -4.96 119.30 117.84 1dbf s MET 2 Ca 0.00 1.15 0.08 0.00 -1.25 0.00 0.00 55.69 55.67 1dbf s MET 2 Cb 0.00 -2.13 -0.03 0.00 1.25 0.00 0.00 34.83 33.92 1dbf s MET 2 CO 0.00 -0.29 -0.21 0.96 1.05 0.00 0.00 175.02 176.53 1dbf s ILE 3 N -2.28 1.74 0.00 10.11 -4.36 -1.26 -1.74 121.20 123.41 1dbf s ILE 3 Ca 0.63 -1.52 -0.00 0.00 -0.26 0.00 0.00 60.65 59.49 1dbf s ILE 3 Cb -0.12 -1.57 -0.00 0.00 1.25 0.00 0.00 42.46 42.01 1dbf s ILE 3 CO 0.22 -0.03 -0.01 -0.13 0.24 0.00 0.00 174.94 175.24 1dbf s ARG 4 N -1.85 0.06 0.18 0.37 1.81 0.13 -4.92 118.95 114.73 1dbf s ARG 4 Ca 0.07 -0.12 -0.29 0.00 -1.72 0.00 0.00 55.73 53.67 1dbf s ARG 4 Cb -0.10 0.02 -0.08 0.00 -0.45 0.00 0.00 34.95 34.35 1dbf s ARG 4 CO 0.04 -0.01 0.90 0.20 -0.68 0.00 0.00 175.30 175.75 1dbf s GLY 5 N -0.29 3.03 -0.14 -3.53 0.00 -1.26 -0.86 107.32 104.27 1dbf s GLY 5 Ca -0.03 0.53 0.02 0.00 0.00 0.00 0.00 44.72 45.24 1dbf s GLY 5 CO -0.00 1.19 -0.19 -0.42 0.00 0.00 0.00 173.10 173.67 1dbf s ILE 6 N -0.79 2.33 -0.02 0.90 1.01 0.12 -4.96 121.20 119.79 1dbf s ILE 6 Ca 0.41 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1dbf s ILE 6 Cb -0.24 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1dbf s ILE 6 CO 0.30 0.54 0.14 -0.13 0.00 0.00 0.00 174.94 175.79 1dbf s ARG 7 N 0.70 3.31 0.17 2.79 1.81 -1.26 -0.54 118.95 125.93 1dbf s ARG 7 Ca -0.09 -0.36 -0.10 0.00 -1.72 0.00 0.00 55.73 53.46 1dbf s ARG 7 Cb -0.16 -3.02 -0.00 0.00 -0.45 0.00 0.00 34.95 31.31 1dbf s ARG 7 CO 0.01 0.67 0.31 0.20 -0.68 0.00 0.00 175.30 175.82 1dbf s GLY 8 N -1.79 0.43 -0.05 -3.53 0.00 -0.67 -1.47 107.32 100.23 1dbf s GLY 8 Ca 0.25 -0.82 -0.16 0.00 0.00 0.00 0.00 44.72 43.98 1dbf s GLY 8 CO 0.16 -0.78 0.36 0.00 0.00 0.00 0.00 173.10 172.84 1dbf s ALA 9 N -3.96 -0.92 0.29 3.20 0.00 -0.30 -0.78 121.76 119.29 1dbf s ALA 9 Ca 0.17 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.67 1dbf s ALA 9 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1dbf s ALA 9 CO -0.00 -0.25 0.43 -0.08 0.00 0.00 0.00 175.76 175.86 1dbf s THR 10 N -0.94 0.00 0.11 0.00 -1.32 0.22 -0.80 115.64 112.92 1dbf s THR 10 Ca -0.10 -1.57 0.02 0.00 -1.21 0.00 0.00 61.69 58.83 1dbf s THR 10 Cb -0.04 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 1dbf s THR 10 CO 0.04 0.00 -0.06 0.42 -2.21 0.00 0.00 174.62 172.81 1dbf s THR 11 N -3.58 0.75 0.18 5.08 -4.23 -1.26 -1.11 115.64 111.47 1dbf s THR 11 Ca 0.28 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.94 1dbf s THR 11 Cb 0.00 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1dbf s THR 11 CO 0.15 -0.80 -0.21 0.68 -0.54 0.00 0.00 174.62 173.89 1dbf s VAL 12 N -3.60 2.53 0.18 2.29 -7.23 -0.68 -4.79 120.40 109.10 1dbf s VAL 12 Ca 0.14 -1.91 0.07 0.00 -1.81 0.00 0.00 61.98 58.47 1dbf s VAL 12 Cb 0.05 -2.21 -0.14 0.00 0.56 0.00 0.00 36.38 34.65 1dbf s VAL 12 CO -0.03 -0.09 1.41 -0.33 -0.31 0.00 0.00 175.10 175.76 1dbf h GLU 13 N 3.23 0.05 -3.30 4.82 4.39 -1.96 -3.45 114.58 118.37 1dbf h GLU 13 Ca -0.47 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.07 1dbf h GLU 13 Cb 1.20 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 29.69 1dbf h GLU 13 CO 0.48 0.86 -0.28 -0.98 -1.16 0.00 0.00 179.01 177.94 1dbf s ARG 14 N -3.12 0.76 -1.24 2.33 3.03 -1.26 -5.08 118.95 114.37 1dbf s ARG 14 Ca -0.01 -0.47 -0.17 0.00 2.03 0.00 0.00 55.73 57.11 1dbf s ARG 14 Cb 0.11 0.33 0.10 0.00 -1.03 0.00 0.00 34.95 34.46 1dbf s ARG 14 CO 0.80 -0.24 1.60 0.34 -1.13 0.00 0.00 175.30 176.68 1dbf s ASP 15 N -1.94 6.88 0.13 -2.89 2.15 -1.26 -4.65 116.67 115.10 1dbf s ASP 15 Ca -0.07 -2.53 0.07 0.00 0.43 0.00 0.00 52.55 50.45 1dbf s ASP 15 Cb -0.02 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 1dbf s ASP 15 CO -0.02 -1.06 -0.15 0.42 -0.17 0.00 0.00 175.17 174.19 1dbf s THR 16 N 3.42 1.47 0.19 1.71 -4.23 -1.26 -4.67 115.64 112.28 1dbf s THR 16 Ca 0.49 -1.78 -0.11 0.00 -1.18 0.00 0.00 61.69 59.11 1dbf s THR 16 Cb 0.01 -1.63 0.12 0.00 1.34 0.00 0.00 72.50 72.34 1dbf s THR 16 CO 0.04 -0.39 1.80 -0.08 -0.54 0.00 0.00 174.62 175.45 1dbf h GLU 17 N 3.42 0.97 -0.60 3.99 4.81 -1.91 -1.82 114.58 123.44 1dbf h GLU 17 Ca -0.40 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 58.76 1dbf h GLU 17 Cb 1.20 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 1dbf h GLU 17 CO 0.51 0.73 0.32 1.49 -0.73 0.00 0.00 179.01 181.33 1dbf h GLU 18 N 0.95 0.58 -0.02 1.92 4.22 -1.97 -0.09 114.58 120.17 1dbf h GLU 18 Ca 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 1dbf h GLU 18 Cb 0.05 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1dbf h GLU 18 CO -0.04 0.39 -0.02 0.93 -2.18 0.00 0.00 179.01 178.09 1dbf h GLU 19 N 0.60 0.05 -0.76 1.92 5.08 -1.81 0.09 114.58 119.75 1dbf h GLU 19 Ca 0.27 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.71 1dbf h GLU 19 Cb 0.17 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 1dbf h GLU 19 CO -0.18 0.49 0.38 0.82 -1.00 0.00 0.00 179.01 179.53 1dbf h ILE 20 N -0.40 0.82 -0.19 3.13 2.04 -1.18 -0.26 117.51 121.46 1dbf h ILE 20 Ca 0.00 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 1dbf h ILE 20 Cb 0.48 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1dbf h ILE 20 CO 0.00 0.11 -0.33 -0.07 0.00 0.00 0.00 178.15 177.87 1dbf h LEU 21 N 0.62 0.62 -0.48 1.44 3.38 -0.92 -0.93 115.31 119.04 1dbf h LEU 21 Ca 0.39 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1dbf h LEU 21 Cb 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1dbf h LEU 21 CO -0.30 1.03 0.21 -0.61 0.09 0.00 0.00 178.44 178.87 1dbf h GLN 22 N 0.23 0.70 -0.01 1.13 4.15 -0.63 0.66 115.11 121.34 1dbf h GLN 22 Ca 0.01 -0.11 -0.20 0.00 0.77 0.00 0.00 58.65 59.12 1dbf h GLN 22 Cb 0.91 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1dbf h GLN 22 CO 0.07 0.60 -0.86 0.87 -1.93 0.00 0.00 178.83 177.58 1dbf h LYS 23 N 0.63 0.24 -0.46 1.69 1.79 -1.05 0.11 116.57 119.53 1dbf h LYS 23 Ca 0.16 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 1dbf h LYS 23 Cb 0.15 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1dbf h LYS 23 CO -0.02 0.97 0.15 1.15 -1.08 0.00 0.00 179.45 180.62 1dbf h THR 24 N 0.14 1.22 -0.44 -0.16 2.02 -1.02 -0.98 112.91 113.70 1dbf h THR 24 Ca -0.05 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1dbf h THR 24 Cb 1.48 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1dbf h THR 24 CO 0.14 0.26 0.20 0.50 0.37 0.00 0.00 175.52 176.99 1dbf h LYS 25 N 0.60 0.64 -0.67 6.66 3.64 -0.73 -0.01 116.57 126.70 1dbf h LYS 25 Ca 0.15 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1dbf h LYS 25 Cb 0.25 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1dbf h LYS 25 CO -0.01 0.56 0.18 1.96 -2.27 0.00 0.00 179.45 179.87 1dbf h GLN 26 N 0.57 1.04 -0.17 1.90 4.20 -0.85 0.05 115.11 121.85 1dbf h GLN 26 Ca 0.15 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1dbf h GLN 26 Cb 0.14 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1dbf h GLN 26 CO -0.02 0.91 0.06 1.25 -0.67 0.00 0.00 178.83 180.36 1dbf h LEU 27 N 1.00 0.24 -0.41 1.46 5.85 -0.81 -1.07 115.31 121.55 1dbf h LEU 27 Ca 0.21 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1dbf h LEU 27 Cb 0.33 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1dbf h LEU 27 CO -0.00 0.36 0.27 0.25 -0.34 0.00 0.00 178.44 178.98 1dbf h LEU 28 N 0.10 0.48 -0.92 2.25 5.85 -0.76 -1.25 115.31 121.06 1dbf h LEU 28 Ca 0.05 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1dbf h LEU 28 Cb 0.20 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1dbf h LEU 28 CO -0.00 0.35 0.59 -0.33 -0.34 0.00 0.00 178.44 178.70 1dbf h GLU 29 N 0.56 1.09 -0.42 1.25 5.08 -0.84 0.22 114.58 121.53 1dbf h GLU 29 Ca 0.15 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 1dbf h GLU 29 Cb -0.06 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 1dbf h GLU 29 CO -0.03 0.72 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.18 1dbf h LYS 30 N 1.13 0.93 -0.52 2.33 1.63 -0.86 -0.52 116.57 120.68 1dbf h LYS 30 Ca 0.38 -0.44 0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1dbf h LYS 30 Cb 0.05 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 1dbf h LYS 30 CO -0.14 1.09 0.33 0.82 -3.45 0.00 0.00 179.45 178.11 1dbf h ILE 31 N 0.78 1.09 -0.64 2.00 2.04 -0.54 0.67 117.51 122.91 1dbf h ILE 31 Ca 0.08 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1dbf h ILE 31 Cb 0.88 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1dbf h ILE 31 CO 0.08 0.12 0.32 0.40 0.00 0.00 0.00 178.15 179.07 1dbf h ILE 32 N 0.66 1.22 -0.32 -0.67 2.04 -0.78 -0.44 117.51 119.22 1dbf h ILE 32 Ca 0.20 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1dbf h ILE 32 Cb -0.03 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1dbf h ILE 32 CO -0.07 0.25 0.05 -0.08 0.00 0.00 0.00 178.15 178.30 1dbf h GLU 33 N 0.88 0.53 0.00 2.37 4.22 -0.63 0.19 114.58 122.14 1dbf h GLU 33 Ca 0.22 -0.14 -0.12 0.00 0.08 0.00 0.00 59.36 59.40 1dbf h GLU 33 Cb 0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1dbf h GLU 33 CO -0.03 0.62 -0.56 0.93 -2.18 0.00 0.00 179.01 177.79 1dbf h GLU 34 N 0.36 0.00 -0.02 1.92 5.08 -0.70 -3.23 114.58 117.98 1dbf h GLU 34 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1dbf h GLU 34 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1dbf h GLU 34 CO 0.01 0.56 -0.04 0.09 -1.00 0.00 0.00 179.01 178.62 1dbf n ASN 35 N -3.80 2.55 -3.63 1.42 3.02 -0.19 -4.84 115.26 109.78 1dbf n ASN 35 Ca -0.01 -1.77 -0.24 0.00 -0.03 0.00 0.00 54.58 52.52 1dbf n ASN 35 Cb 0.58 0.05 0.07 0.00 -0.61 0.00 0.00 39.78 39.87 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 0.97 -2.80 -3.00 3.10 8.25 0.61 -4.94 115.22 117.41 1dbf n HIS 36 Ca 0.11 1.00 -0.40 0.00 -0.26 0.00 0.00 57.72 58.17 1dbf n HIS 36 Cb 0.48 -4.92 -0.05 0.00 1.12 0.00 0.00 29.99 26.62 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 -3.32 4.97 -0.06 1.59 2.01 -0.93 -5.05 115.64 114.85 1dbf s THR 37 Ca 0.57 1.46 -0.12 0.00 0.31 0.00 0.00 61.69 63.91 1dbf s THR 37 Cb -0.26 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 1dbf s THR 37 CO 0.74 0.13 0.31 -0.54 -0.69 0.00 0.00 174.62 174.57 1dbf s LYS 38 N 1.61 3.83 0.31 4.92 1.02 -1.26 -4.90 119.74 125.28 1dbf s LYS 38 Ca 0.36 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.55 1dbf s LYS 38 Cb -0.17 -3.25 0.52 0.00 -0.52 0.00 0.00 37.83 34.42 1dbf s LYS 38 CO 0.14 0.64 1.96 -1.00 -0.92 0.00 0.00 175.35 176.17 1dbf h PRO 39 N 5.11 1.00 0.00 -1.68 0.13 -1.97 -0.48 132.00 134.11 1dbf h PRO 39 Ca -0.51 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1dbf h PRO 39 Cb 1.21 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1dbf h PRO 39 CO 0.63 0.66 -0.02 0.93 -0.23 0.00 0.00 178.00 179.97 1dbf h GLU 40 N 1.03 0.00 -0.14 0.86 5.08 -1.95 -1.40 114.58 118.06 1dbf h GLU 40 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1dbf h GLU 40 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1dbf h GLU 40 CO -0.09 0.02 0.00 -0.25 -1.00 0.00 0.00 179.01 177.69 1dbf n ASP 41 N -3.38 1.74 -4.61 1.42 8.00 -0.19 -4.83 116.55 114.70 1dbf n ASP 41 Ca -0.02 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 1dbf n ASP 41 Cb 0.13 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.83 4.76 0.08 2.53 1.01 -0.53 -1.14 120.40 125.28 1dbf s VAL 42 Ca 0.34 1.14 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 1dbf s VAL 42 Cb 0.19 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 1dbf s VAL 42 CO 0.28 -0.30 1.68 0.58 0.00 0.00 0.00 175.10 177.34 1dbf h VAL 43 N 5.64 0.88 -1.36 2.92 2.07 -0.93 -3.45 116.25 122.01 1dbf h VAL 43 Ca -0.24 -0.07 0.33 0.00 0.82 0.00 0.00 66.70 67.54 1dbf h VAL 43 Cb 1.09 0.92 -0.13 0.00 -1.52 0.00 0.00 31.29 31.65 1dbf h VAL 43 CO 0.90 0.02 0.86 0.00 0.02 0.00 0.00 177.57 179.36 1dbf s GLN 44 N -6.03 0.31 0.00 1.57 -2.07 -1.18 -4.60 119.66 107.66 1dbf s GLN 44 Ca -0.14 -0.17 -0.03 0.00 -1.82 0.00 0.00 55.36 53.20 1dbf s GLN 44 Cb 0.05 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 32.08 1dbf s GLN 44 CO 0.65 -0.14 0.06 -1.64 -1.32 0.00 0.00 175.29 172.89 1dbf s MET 45 N -2.34 0.30 -0.02 9.60 -1.94 -0.16 -0.78 119.30 123.95 1dbf s MET 45 Ca 0.14 -0.33 0.06 0.00 -1.71 0.00 0.00 55.69 53.85 1dbf s MET 45 Cb 0.05 0.12 -0.02 0.00 2.01 0.00 0.00 34.83 36.99 1dbf s MET 45 CO -0.04 -0.06 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.18 1dbf s LEU 46 N -0.99 2.04 -0.06 -0.03 1.43 -0.12 -1.93 118.68 119.01 1dbf s LEU 46 Ca -0.11 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1dbf s LEU 46 Cb -0.06 -1.10 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 1dbf s LEU 46 CO 0.00 0.26 -0.19 -0.76 0.23 0.00 0.00 176.35 175.89 1dbf s LEU 47 N -0.47 1.93 0.20 1.79 2.01 -0.68 -1.35 118.68 122.10 1dbf s LEU 47 Ca 0.07 -0.41 0.09 0.00 0.01 0.00 0.00 54.13 53.89 1dbf s LEU 47 Cb -0.09 -1.10 -0.04 0.00 0.01 0.00 0.00 46.19 44.97 1dbf s LEU 47 CO -0.01 0.15 -0.05 -0.94 1.01 0.00 0.00 176.35 176.51 1dbf s SER 48 N 0.19 4.47 0.05 2.29 1.04 0.52 -1.33 113.70 120.92 1dbf s SER 48 Ca -0.09 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 55.85 1dbf s SER 48 Cb -0.14 -0.83 -0.02 0.00 0.10 0.00 0.00 66.02 65.12 1dbf s SER 48 CO 0.04 0.08 -0.14 0.00 0.98 0.00 0.00 173.24 174.20 1dbf s ALA 49 N -1.84 1.19 0.68 5.32 0.00 -0.73 -1.10 121.76 125.28 1dbf s ALA 49 Ca 0.27 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 1dbf s ALA 49 Cb -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1dbf s ALA 49 CO 0.17 0.21 1.14 0.95 0.00 0.00 0.00 175.76 178.23 1dbf s THR 50 N -0.99 2.96 -2.00 0.00 -4.23 -0.95 -0.53 115.64 109.91 1dbf s THR 50 Ca 0.01 0.46 0.06 0.00 -1.18 0.00 0.00 61.69 61.04 1dbf s THR 50 Cb -0.09 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.94 1dbf s THR 50 CO 0.02 -0.27 0.84 -0.81 -0.54 0.00 0.00 174.62 173.86 1dbf n PRO 51 N -2.47 0.51 -0.22 3.99 -0.04 -1.26 -2.11 135.00 133.40 1dbf n PRO 51 Ca 0.11 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1dbf n PRO 51 Cb 0.51 -1.19 0.26 0.00 -0.04 0.00 0.00 33.50 33.05 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 -0.69 2.86 -4.21 3.54 5.68 -1.26 -4.88 116.55 117.58 1dbf n ASP 52 Ca 0.05 -1.94 -0.33 0.00 -0.50 0.00 0.00 54.79 52.07 1dbf n ASP 52 Cb 0.02 -0.28 -0.16 0.00 -1.14 0.00 0.00 41.12 39.56 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 -1.25 2.32 0.00 -2.12 1.43 -0.90 -4.80 118.68 113.35 1dbf s LEU 53 Ca 0.37 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1dbf s LEU 53 Cb 0.20 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1dbf s LEU 53 CO 0.27 0.07 0.04 1.41 0.23 0.00 0.00 176.35 178.37 1dbf n HIS 54 N 4.16 0.00 0.13 0.29 8.25 -1.26 -4.91 115.22 121.88 1dbf n HIS 54 Ca -0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.25 1dbf n HIS 54 Cb 0.51 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.79 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 -2.28 -1.41 0.00 -1.90 -3.47 119.26 111.17 1dbf h ALA 55 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.38 1dbf h ALA 55 Cb 0.37 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 17.89 1dbf h ALA 55 CO 0.00 0.77 0.36 0.54 0.00 0.00 0.00 179.25 180.92 1dbf s VAL 56 N -3.63 0.00 -0.14 0.00 0.11 -1.26 -4.72 120.40 110.75 1dbf s VAL 56 Ca -0.02 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 1dbf s VAL 56 Cb 0.13 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1dbf s VAL 56 CO 0.77 0.00 1.27 -0.36 -3.33 0.00 0.00 175.10 173.45 1dbf s PHE 57 N -2.48 2.87 0.62 1.54 0.08 -1.26 -4.93 117.98 114.41 1dbf s PHE 57 Ca -0.01 1.01 0.33 0.00 0.12 0.00 0.00 56.93 58.38 1dbf s PHE 57 Cb -0.01 -3.51 1.91 0.00 -0.57 0.00 0.00 43.02 40.84 1dbf s PHE 57 CO -0.04 -1.73 2.21 -1.35 -0.10 0.00 0.00 175.22 174.21 1dbf h PRO 58 N 8.13 0.00 -0.09 0.24 0.11 -1.94 -1.11 132.00 137.34 1dbf h PRO 58 Ca -0.28 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.85 1dbf h PRO 58 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1dbf h PRO 58 CO 0.96 0.00 0.17 0.00 -0.21 0.00 0.00 178.00 178.91 1dbf h ALA 59 N 1.87 1.48 -0.95 -0.75 0.00 -1.93 -1.48 119.26 117.49 1dbf h ALA 59 Ca 0.03 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1dbf h ALA 59 Cb 0.21 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1dbf h ALA 59 CO -0.00 -0.21 0.60 -0.22 0.00 0.00 0.00 179.25 179.42 1dbf h LYS 60 N 0.00 0.84 -0.18 0.00 3.64 -1.60 -0.45 116.57 118.82 1dbf h LYS 60 Ca 0.04 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1dbf h LYS 60 Cb 0.37 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1dbf h LYS 60 CO -0.00 0.55 -0.34 0.00 -2.27 0.00 0.00 179.45 177.39 1dbf h ALA 61 N 1.57 1.09 -0.24 5.00 0.00 -1.48 -1.70 119.26 123.49 1dbf h ALA 61 Ca 0.47 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1dbf h ALA 61 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1dbf h ALA 61 CO -0.24 0.57 0.02 0.28 0.00 0.00 0.00 179.25 179.89 1dbf h VAL 62 N 0.31 1.24 0.00 0.00 2.07 -1.40 -2.75 116.25 115.72 1dbf h VAL 62 Ca 0.04 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1dbf h VAL 62 Cb 0.76 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1dbf h VAL 62 CO 0.06 0.26 -0.15 0.03 0.02 0.00 0.00 177.57 177.80 1dbf h ARG 63 N 0.21 0.00 0.00 1.57 3.08 -0.78 -1.99 114.38 116.47 1dbf h ARG 63 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1dbf h ARG 63 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1dbf h ARG 63 CO 0.01 0.15 -0.60 0.39 -1.07 0.00 0.00 179.97 178.85 1dbf n GLU 64 N -3.72 0.26 -2.16 0.04 1.02 -0.67 -4.41 120.64 111.00 1dbf n GLU 64 Ca -0.02 0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1dbf n GLU 64 Cb 0.26 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 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 -4.11 4.36 0.16 -4.62 2.96 -0.75 -4.89 118.68 111.79 1dbf s LEU 65 Ca 0.07 2.31 -0.33 0.00 -0.22 0.00 0.00 54.13 55.96 1dbf s LEU 65 Cb 0.14 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 43.12 1dbf s LEU 65 CO 0.71 -0.69 1.69 -0.24 -1.32 0.00 0.00 176.35 176.51 1dbf n SER 66 N 4.33 3.62 0.00 3.68 2.88 -1.26 -1.15 113.62 125.72 1dbf n SER 66 Ca 0.12 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1dbf n SER 66 Cb 0.42 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1dbf n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dbf n GLY 67 N 3.81 1.30 1.34 0.46 0.00 -1.26 -4.92 105.19 105.92 1dbf n GLY 67 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 1.00 0.31 1.61 7.02 -0.30 -4.63 117.44 120.45 1dbf n TRP 68 Ca 0.00 -0.51 0.20 0.00 -1.02 0.00 0.00 57.50 56.17 1dbf n TRP 68 Cb 0.00 -0.02 0.97 0.00 -2.42 0.00 0.00 31.31 29.84 1dbf n TRP 68 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 1dbf h GLN 69 N 4.16 0.00 -0.42 -0.99 -0.00 -1.77 -1.54 115.11 114.55 1dbf h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1dbf h GLN 69 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.50 1dbf h GLN 69 CO 0.02 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.51 1dbf n TYR 70 N -3.01 0.54 -2.67 0.06 4.01 -1.26 -4.95 117.16 109.89 1dbf n TYR 70 Ca -0.01 -0.34 -0.43 0.00 -0.16 0.00 0.00 57.90 56.96 1dbf n TYR 70 Cb 0.16 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.18 4.73 0.04 -0.72 1.01 -0.58 -4.98 120.40 118.72 1dbf s VAL 71 Ca 0.34 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 64.04 1dbf s VAL 71 Cb 0.19 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1dbf s VAL 71 CO 0.26 -0.05 1.19 -2.16 0.00 0.00 0.00 175.10 174.35 1dbf s PRO 72 N 2.36 4.42 -0.00 2.72 0.04 -1.26 -4.94 135.00 138.34 1dbf s PRO 72 Ca 0.47 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 63.24 1dbf s PRO 72 Cb -0.18 -3.39 -0.00 0.00 0.04 0.00 0.00 34.50 30.97 1dbf s PRO 72 CO 0.15 -0.29 0.04 0.54 0.04 0.00 0.00 177.00 177.48 1dbf s VAL 73 N 1.28 0.06 0.19 -0.36 0.11 -1.26 -0.99 120.40 119.43 1dbf s VAL 73 Ca 0.58 -0.47 -0.12 0.00 -2.93 0.00 0.00 61.98 59.05 1dbf s VAL 73 Cb -0.28 -0.22 -0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1dbf s VAL 73 CO 0.28 -0.26 0.38 0.28 -3.33 0.00 0.00 175.10 172.45 1dbf s THR 74 N -0.79 0.04 0.43 5.04 -1.32 -0.81 -4.98 115.64 113.25 1dbf s THR 74 Ca -0.09 -1.27 0.07 0.00 -1.21 0.00 0.00 61.69 59.19 1dbf s THR 74 Cb -0.05 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 69.03 1dbf s THR 74 CO -0.00 -0.18 0.24 0.00 -2.21 0.00 0.00 174.62 172.46 1dbf s MET 76 N -3.99 1.24 -0.05 0.00 0.23 -0.44 -4.89 119.30 111.39 1dbf s MET 76 Ca 0.40 -0.44 -0.29 0.00 -1.03 0.00 0.00 55.69 54.34 1dbf s MET 76 Cb 0.02 0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 33.87 1dbf s MET 76 CO 0.23 -0.54 0.94 -1.14 -2.03 0.00 0.00 175.02 172.48 1dbf s GLN 77 N -3.63 4.48 0.61 3.16 0.74 -1.26 -1.76 119.66 122.00 1dbf s GLN 77 Ca 0.01 1.31 -0.18 0.00 0.05 0.00 0.00 55.36 56.55 1dbf s GLN 77 Cb -0.01 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 1dbf s GLN 77 CO -0.12 -0.14 1.20 -2.00 -0.55 0.00 0.00 175.29 173.68 1dbf s GLU 78 N 1.38 2.89 0.50 1.67 2.56 0.32 -4.85 118.70 123.16 1dbf s GLU 78 Ca 0.48 1.77 -0.23 0.00 0.00 0.00 0.00 54.97 56.99 1dbf s GLU 78 Cb -0.19 -1.92 -0.06 0.00 2.00 0.00 0.00 34.13 33.95 1dbf s GLU 78 CO 0.22 -1.26 1.30 0.00 -0.56 0.00 0.00 175.26 174.97 1dbf s MET 79 N -3.45 3.45 -0.99 4.30 0.23 -1.26 -4.58 119.30 116.99 1dbf s MET 79 Ca 0.76 2.11 -0.19 0.00 -1.03 0.00 0.00 55.69 57.33 1dbf s MET 79 Cb -0.29 -2.39 0.11 0.00 -1.53 0.00 0.00 34.83 30.73 1dbf s MET 79 CO 0.35 -0.90 1.26 0.34 -2.03 0.00 0.00 175.02 174.04 1dbf s ASP 80 N -1.01 6.65 -0.14 -1.18 -1.08 -1.26 -4.94 116.67 113.70 1dbf s ASP 80 Ca 0.67 -2.01 -0.18 0.00 -0.52 0.00 0.00 52.55 50.51 1dbf s ASP 80 Cb -0.37 -2.45 -0.04 0.00 -1.46 0.00 0.00 42.92 38.60 1dbf s ASP 80 CO 0.45 -1.15 0.49 -0.69 0.52 0.00 0.00 175.17 174.79 1dbf s VAL 81 N 3.20 5.17 -0.13 1.11 1.01 -1.26 -5.01 120.40 124.49 1dbf s VAL 81 Ca 0.38 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 1dbf s VAL 81 Cb -0.03 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1dbf s VAL 81 CO -0.08 0.28 1.96 -0.89 0.00 0.00 0.00 175.10 176.38 1dbf s THR 82 N 0.92 3.20 0.00 3.92 2.01 -1.26 -0.36 115.64 124.07 1dbf s THR 82 Ca 0.25 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1dbf s THR 82 Cb -0.15 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1dbf s THR 82 CO 0.10 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1dbf n GLY 83 N 5.04 0.85 3.72 4.40 0.00 -1.26 -5.07 105.19 112.87 1dbf n GLY 83 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.57 2.13 0.15 -0.02 0.00 0.51 -4.92 107.32 103.60 1dbf s GLY 84 Ca 0.00 0.72 -0.34 0.00 0.00 0.00 0.00 44.72 45.10 1dbf s GLY 84 CO 0.00 1.12 1.48 -0.10 0.00 0.00 0.00 173.10 175.60 1dbf n LEU 85 N -3.06 2.68 -4.90 0.66 7.94 -1.26 -4.98 117.00 114.08 1dbf n LEU 85 Ca 0.12 1.10 -0.28 0.00 -1.11 0.00 0.00 56.01 55.84 1dbf n LEU 85 Cb 0.51 -1.36 0.01 0.00 0.53 0.00 0.00 43.42 43.11 1dbf n LEU 85 CO 0.48 -0.54 0.53 -0.54 -1.11 0.00 0.00 177.39 176.22 1dbf s LYS 86 N 0.60 3.37 -1.41 1.96 3.01 -1.26 -4.47 119.74 121.55 1dbf s LYS 86 Ca 0.79 0.27 -0.08 0.00 -1.01 0.00 0.00 55.97 55.94 1dbf s LYS 86 Cb -0.75 -2.28 0.01 0.00 -1.01 0.00 0.00 37.83 33.80 1dbf s LYS 86 CO 0.42 -0.43 0.32 1.63 0.51 0.00 0.00 175.35 177.80 1dbf n LYS 87 N -2.47 -1.57 -5.05 1.68 5.02 -1.26 -4.82 118.16 109.69 1dbf n LYS 87 Ca 0.03 0.22 -0.32 0.00 -2.02 0.00 0.00 58.31 56.21 1dbf n LYS 87 Cb 0.56 -3.73 -0.16 0.00 -0.02 0.00 0.00 35.03 31.68 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 0.27 3.25 0.12 0.00 1.01 -0.27 -2.25 121.20 123.34 1dbf s ILE 89 Ca -0.14 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.03 1dbf s ILE 89 Cb -0.17 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1dbf s ILE 89 CO 0.07 0.51 -0.26 -0.13 0.00 0.00 0.00 174.94 175.13 1dbf s ARG 90 N 0.47 1.37 0.05 2.79 0.52 -0.26 -0.61 118.95 123.28 1dbf s ARG 90 Ca -0.08 -1.31 0.09 0.00 -0.52 0.00 0.00 55.73 53.91 1dbf s ARG 90 Cb -0.15 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 1dbf s ARG 90 CO 0.04 0.43 -0.25 0.08 0.02 0.00 0.00 175.30 175.62 1dbf s VAL 91 N -1.06 2.06 -0.32 3.52 1.01 0.04 -0.36 120.40 125.29 1dbf s VAL 91 Ca 0.13 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 60.74 1dbf s VAL 91 Cb -0.10 -1.76 0.10 0.00 0.00 0.00 0.00 36.38 34.62 1dbf s VAL 91 CO 0.06 0.33 0.09 -0.32 0.00 0.00 0.00 175.10 175.25 1dbf s MET 92 N -1.26 0.92 -0.22 2.72 1.75 -0.46 -1.68 119.30 121.07 1dbf s MET 92 Ca 0.11 -1.30 -0.08 0.00 -1.25 0.00 0.00 55.69 53.17 1dbf s MET 92 Cb -0.10 -2.32 -0.04 0.00 2.84 0.00 0.00 34.83 35.22 1dbf s MET 92 CO 0.02 -0.98 0.10 1.41 -0.65 0.00 0.00 175.02 174.92 1dbf s MET 93 N 1.41 3.89 -0.25 4.11 1.75 0.30 -0.95 119.30 129.57 1dbf s MET 93 Ca 0.10 -0.37 -0.10 0.00 -1.25 0.00 0.00 55.69 54.07 1dbf s MET 93 Cb -0.18 -3.35 -0.05 0.00 2.84 0.00 0.00 34.83 34.09 1dbf s MET 93 CO -0.20 0.04 0.14 0.99 -0.65 0.00 0.00 175.02 175.34 1dbf s THR 94 N 1.03 5.10 0.09 10.11 2.01 0.04 0.15 115.64 134.17 1dbf s THR 94 Ca 0.05 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.21 1dbf s THR 94 Cb -0.14 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1dbf s THR 94 CO 0.03 0.33 -0.18 0.68 -0.69 0.00 0.00 174.62 174.80 1dbf s VAL 95 N 1.29 1.42 -0.19 3.82 -7.23 -0.04 -0.25 120.40 119.23 1dbf s VAL 95 Ca 0.07 -1.41 -0.25 0.00 -1.81 0.00 0.00 61.98 58.57 1dbf s VAL 95 Cb -0.14 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 1dbf s VAL 95 CO 0.06 -0.13 0.85 -1.58 -0.31 0.00 0.00 175.10 173.99 1dbf s GLN 96 N -1.80 4.27 -0.14 4.82 0.74 -0.29 -0.70 119.66 126.57 1dbf s GLN 96 Ca 0.02 1.04 -0.29 0.00 0.05 0.00 0.00 55.36 56.18 1dbf s GLN 96 Cb -0.10 -3.60 0.09 0.00 1.10 0.00 0.00 33.01 30.50 1dbf s GLN 96 CO 0.03 -0.40 0.78 -0.08 -0.55 0.00 0.00 175.29 175.07 1dbf s THR 97 N 2.40 0.00 -1.36 -0.34 -1.32 -0.71 -4.94 115.64 109.36 1dbf s THR 97 Ca 0.38 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.13 1dbf s THR 97 Cb -0.16 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.03 1dbf s THR 97 CO 0.11 0.00 1.60 0.47 -2.21 0.00 0.00 174.62 174.59 1dbf n ASP 98 N 1.35 0.61 -4.71 8.08 9.92 -1.26 -4.37 116.55 126.17 1dbf n ASP 98 Ca -0.16 -0.44 -0.42 0.00 -0.53 0.00 0.00 54.79 53.24 1dbf n ASP 98 Cb 0.57 0.08 -0.03 0.00 -0.64 0.00 0.00 41.12 41.09 1dbf n ASP 98 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1dbf s VAL 99 N -2.74 2.85 0.80 2.53 1.01 -1.26 -4.93 120.40 118.66 1dbf s VAL 99 Ca 0.19 0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.55 1dbf s VAL 99 Cb 0.19 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 33.31 1dbf s VAL 99 CO 0.58 0.02 1.16 -2.65 0.00 0.00 0.00 175.10 174.22 1dbf n PRO 100 N 4.59 0.20 -0.25 2.72 -0.02 -1.26 -4.79 135.00 136.18 1dbf n PRO 100 Ca 0.14 0.14 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 1dbf n PRO 100 Cb 0.40 -2.40 0.18 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.86 0.47 0.00 -0.52 4.15 -1.98 -0.90 115.11 115.46 1dbf h GLN 101 Ca -0.46 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1dbf h GLN 101 Cb 1.30 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1dbf h GLN 101 CO 0.46 0.31 0.00 -0.40 -1.93 0.00 0.00 178.83 177.27 1dbf n ASP 102 N -4.97 0.00 -0.13 -0.69 5.68 -1.26 -2.93 116.55 112.25 1dbf n ASP 102 Ca 0.14 -1.50 0.02 0.00 -0.50 0.00 0.00 54.79 52.94 1dbf n ASP 102 Cb 0.38 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.37 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 -0.71 1.10 -2.00 0.11 6.02 -0.36 -5.02 117.38 116.52 1dbf n GLN 103 Ca 0.10 -0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 56.10 1dbf n GLN 103 Cb 0.05 -0.99 -0.02 0.00 1.02 0.00 0.00 30.24 30.30 1dbf n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1dbf s ILE 104 N -0.61 2.52 -0.52 5.09 -1.09 -1.09 -4.95 121.20 120.55 1dbf s ILE 104 Ca 0.04 0.49 -0.16 0.00 -2.23 0.00 0.00 60.65 58.79 1dbf s ILE 104 Cb 0.03 -3.31 0.11 0.00 -1.58 0.00 0.00 42.46 37.71 1dbf s ILE 104 CO 0.08 0.10 0.47 -0.13 -1.23 0.00 0.00 174.94 174.23 1dbf s ARG 105 N -1.37 2.99 0.32 2.79 0.52 -1.26 -5.06 118.95 117.88 1dbf s ARG 105 Ca 0.54 -1.57 -0.20 0.00 -0.52 0.00 0.00 55.73 53.98 1dbf s ARG 105 Cb -0.42 -4.24 -0.09 0.00 0.52 0.00 0.00 34.95 30.72 1dbf s ARG 105 CO 0.52 -1.22 0.83 -1.01 0.02 0.00 0.00 175.30 174.43 1dbf s HIS 106 N 1.64 3.51 -0.06 -0.53 3.76 -1.26 -4.81 115.29 117.53 1dbf s HIS 106 Ca 0.04 1.48 0.02 0.00 -0.15 0.00 0.00 55.06 56.44 1dbf s HIS 106 Cb -0.28 -2.71 0.02 0.00 1.11 0.00 0.00 32.58 30.71 1dbf s HIS 106 CO 0.04 0.14 -0.10 0.54 -0.85 0.00 0.00 174.74 174.51 1dbf s VAL 107 N -1.81 1.01 -0.17 -0.90 0.11 -0.55 -5.01 120.40 113.08 1dbf s VAL 107 Ca 0.52 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1dbf s VAL 107 Cb -0.14 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1dbf s VAL 107 CO 0.19 0.33 -0.11 -0.31 -3.33 0.00 0.00 175.10 171.87 1dbf s TYR 108 N 0.77 2.20 0.39 1.54 2.02 -1.26 -1.15 117.35 121.86 1dbf s TYR 108 Ca -0.13 -1.37 0.06 0.00 -0.37 0.00 0.00 57.07 55.26 1dbf s TYR 108 Cb -0.15 -1.56 -0.07 0.00 -0.40 0.00 0.00 41.96 39.78 1dbf s TYR 108 CO 0.02 -0.69 0.03 -0.51 -1.57 0.00 0.00 175.55 172.83 1dbf s LEU 109 N 1.47 2.61 0.00 -1.29 1.43 0.02 -4.36 118.68 118.56 1dbf s LEU 109 Ca 0.01 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 1dbf s LEU 109 Cb -0.15 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.36 1dbf s LEU 109 CO -0.09 -0.54 0.00 -0.62 0.23 0.00 0.00 176.35 175.33 1dbf n GLU 110 N -0.91 0.00 0.00 1.70 -0.58 -1.26 -1.11 120.64 118.48 1dbf n GLU 110 Ca -0.05 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.80 1dbf n GLU 110 Cb 0.67 0.00 0.56 0.00 -0.57 0.00 0.00 31.44 32.10 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 0.22 0.00 3.49 5.02 -1.26 -2.37 118.16 137.25 1dbf n LYS 111 Ca 0.00 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.48 1dbf n LYS 111 Cb 0.00 -1.50 0.68 0.00 -0.02 0.00 0.00 35.03 34.19 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 -1.36 2.57 0.31 7.82 0.00 -0.27 -3.42 120.51 126.16 1dbf n ALA 112 Ca 0.09 -0.14 0.19 0.00 0.00 0.00 0.00 53.44 53.58 1dbf n ALA 112 Cb 0.22 -1.37 1.05 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 0.23 0.00 0.00 -1.51 -1.53 0.11 116.25 113.56 1dbf h VAL 113 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1dbf h VAL 113 Cb 0.00 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1dbf h VAL 113 CO 0.00 0.01 0.00 1.33 -1.23 0.00 0.00 177.57 177.68 1dbf n VAL 114 N -3.40 0.75 1.45 7.19 0.24 -1.22 -1.78 118.33 121.56 1dbf n VAL 114 Ca -0.03 0.19 0.14 0.00 -2.04 0.00 0.00 64.34 62.60 1dbf n VAL 114 Cb 0.10 -0.94 0.51 0.00 -1.47 0.00 0.00 33.84 32.04 1dbf n VAL 114 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1dbf n LEU 115 N -1.36 1.25 -4.71 1.34 4.77 0.40 -4.90 117.00 113.78 1dbf n LEU 115 Ca 0.06 -0.39 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 1dbf n LEU 115 Cb 0.14 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1dbf n LEU 115 CO 0.12 0.22 1.26 -0.13 -1.33 0.00 0.00 177.39 177.53 1dbf s ARG 116 N -2.16 4.20 0.51 3.23 0.52 -0.73 -4.86 118.95 119.66 1dbf s ARG 116 Ca 0.34 2.38 0.30 0.00 -0.52 0.00 0.00 55.73 58.24 1dbf s ARG 116 Cb 0.21 -3.22 1.20 0.00 0.52 0.00 0.00 34.95 33.65 1dbf s ARG 116 CO 0.39 -0.64 1.93 -1.00 0.02 0.00 0.00 175.30 176.00 1dbf h PRO 117 N 7.07 0.00 0.00 3.54 0.13 -1.91 -3.22 132.00 137.60 1dbf h PRO 117 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1dbf h PRO 117 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1dbf h PRO 117 CO 0.92 0.08 0.00 -0.44 -0.23 0.00 0.00 178.00 178.33 1dbf h ASP 118 N 0.00 0.00 -2.77 1.44 5.19 -1.99 -3.45 116.42 114.84 1dbf h ASP 118 Ca -0.00 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.76 1dbf h ASP 118 Cb 0.59 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.03 1dbf h ASP 118 CO 0.01 0.00 -0.42 -0.76 -3.12 0.00 0.00 179.24 174.95 1dbf s LEU 119 N -5.91 4.39 0.26 1.55 1.43 -1.22 -5.12 118.68 114.06 1dbf s LEU 119 Ca 0.01 0.55 0.06 0.00 -1.03 0.00 0.00 54.13 53.72 1dbf s LEU 119 Cb 0.09 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1dbf s LEU 119 CO 0.51 0.37 0.28 -0.94 0.23 0.00 0.00 176.35 176.80 1dbf s SER 120 N -0.90 5.81 0.24 2.29 1.04 -1.26 -5.04 113.70 115.88 1dbf s SER 120 Ca 0.16 -0.16 -0.30 0.00 0.48 0.00 0.00 55.95 56.14 1dbf s SER 120 Cb -0.13 -1.51 -0.09 0.00 0.10 0.00 0.00 66.02 64.40 1dbf s SER 120 CO 0.05 -0.11 1.08 -1.48 0.98 0.00 0.00 173.24 173.76 1dbf s LEU 121 N -3.93 4.55 -0.34 2.42 0.05 -1.26 -4.97 118.68 115.20 1dbf s LEU 121 Ca 0.35 2.16 -0.29 0.00 0.05 0.00 0.00 54.13 56.40 1dbf s LEU 121 Cb -0.08 -3.62 0.02 0.00 -2.05 0.00 0.00 46.19 40.46 1dbf s LEU 121 CO 0.27 -0.12 1.08 -0.89 -0.55 0.00 0.00 176.35 176.14 1dbf s THR 122 N -0.85 4.48 0.05 5.48 2.01 -1.26 -4.89 115.64 120.65 1dbf s THR 122 Ca 0.46 1.69 -0.18 0.00 0.31 0.00 0.00 61.69 63.96 1dbf s THR 122 Cb -0.30 -4.44 -0.17 0.00 0.01 0.00 0.00 72.50 67.61 1dbf s THR 122 CO 0.38 -0.54 1.26 0.50 -0.69 0.00 0.00 174.62 175.53 1dbf h LYS 123 N 8.21 0.52 -4.49 4.92 3.64 -2.00 -3.39 116.57 123.98 1dbf h LYS 123 Ca -0.21 -0.39 -0.63 0.00 -1.27 0.00 0.00 60.65 58.16 1dbf h LYS 123 Cb 1.06 0.07 -0.38 0.00 -0.41 0.00 0.00 32.23 32.57 1dbf h LYS 123 CO 1.04 1.01 -0.79 1.21 -2.27 0.00 0.00 179.45 179.65 1dbf s ASN 124 N -6.60 3.99 0.10 4.20 3.84 -1.26 -4.98 114.94 114.23 1dbf s ASN 124 Ca -0.13 -1.23 0.27 0.00 0.21 0.00 0.00 52.86 51.99 1dbf s ASN 124 Cb 0.06 -1.27 1.03 0.00 -0.55 0.00 0.00 41.25 40.52 1dbf s ASN 124 CO 0.82 -0.22 1.85 0.35 -2.79 0.00 0.00 177.10 177.11 1dbf n THR 125 N 4.61 0.30 -0.05 -5.21 -2.24 -1.26 -4.25 114.28 106.18 1dbf n THR 125 Ca -0.13 -0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.47 1dbf n THR 125 Cb 0.44 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.86 2.08 0.00 -0.78 -0.58 -1.26 -5.20 120.64 113.04 1dbf n GLU 126 Ca 0.06 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1dbf n GLU 126 Cb 0.38 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 1dbf n GLU 126 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12