#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tof n GLY 2 N 0.00 -2.68 3.52 -0.02 0.00 0.23 -4.72 105.19 101.53 1tof n GLY 2 Ca 0.00 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 1tof n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tof n SER 3 N -4.22 2.68 -4.06 1.61 3.41 -1.18 -4.87 113.62 106.99 1tof n SER 3 Ca 0.10 -2.66 -0.31 0.00 -0.26 0.00 0.00 58.87 55.74 1tof n SER 3 Cb 0.38 -1.63 -0.16 0.00 -0.26 0.00 0.00 64.21 62.54 1tof n SER 3 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1tof s VAL 4 N 11.17 1.73 0.24 -3.33 1.01 -1.26 -1.04 120.40 128.93 1tof s VAL 4 Ca 0.69 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1tof s VAL 4 Cb 0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1tof s VAL 4 CO 0.15 0.49 0.28 0.27 0.00 0.00 0.00 175.10 176.29 1tof s ILE 5 N 1.35 0.00 -0.10 2.22 -4.36 -0.04 -4.96 121.20 115.32 1tof s ILE 5 Ca 0.03 -1.78 -0.01 0.00 -0.26 0.00 0.00 60.65 58.63 1tof s ILE 5 Cb -0.13 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 1tof s ILE 5 CO -0.10 0.00 -0.06 -0.69 0.24 0.00 0.00 174.94 174.33 1tof s VAL 6 N -3.93 3.76 0.01 8.37 1.01 -1.26 -1.16 120.40 127.20 1tof s VAL 6 Ca 0.33 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 1tof s VAL 6 Cb 0.03 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.88 1tof s VAL 6 CO 0.14 0.56 0.43 -0.51 0.00 0.00 0.00 175.10 175.71 1tof s ILE 7 N -0.36 0.05 0.03 2.22 1.10 0.42 -4.91 121.20 119.75 1tof s ILE 7 Ca 0.05 -0.38 -0.03 0.00 -0.51 0.00 0.00 60.65 59.79 1tof s ILE 7 Cb -0.12 -0.85 -0.01 0.00 0.15 0.00 0.00 42.46 41.62 1tof s ILE 7 CO 0.02 -0.21 -0.05 -0.90 -2.11 0.00 0.00 174.94 171.69 1tof n ASP 8 N 0.81 0.96 -3.73 4.50 5.75 -1.26 -0.94 116.55 122.65 1tof n ASP 8 Ca -0.20 0.13 -0.44 0.00 -0.01 0.00 0.00 54.79 54.27 1tof n ASP 8 Cb 0.58 -0.34 -0.11 0.00 -1.03 0.00 0.00 41.12 40.22 1tof n ASP 8 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1tof n SER 9 N -3.39 0.47 -0.28 -1.12 7.64 -1.26 -4.65 113.62 111.03 1tof n SER 9 Ca -0.02 0.40 0.04 0.00 1.01 0.00 0.00 58.87 60.30 1tof n SER 9 Cb 0.08 -0.78 0.13 0.00 -1.01 0.00 0.00 64.21 62.63 1tof n SER 9 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1tof h LYS 10 N 8.81 0.03 -0.47 1.43 1.57 -1.98 0.84 116.57 126.79 1tof h LYS 10 Ca -0.07 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1tof h LYS 10 Cb 1.17 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.39 1tof h LYS 10 CO 1.04 0.02 -0.10 0.00 -0.57 0.00 0.00 179.45 179.84 1tof h ALA 11 N 1.78 0.34 -0.34 3.86 0.00 -1.99 0.14 119.26 123.05 1tof h ALA 11 Ca 0.41 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.44 1tof h ALA 11 Cb 0.68 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1tof h ALA 11 CO -0.78 -0.44 -0.01 0.00 0.00 0.00 0.00 179.25 178.03 1tof h ALA 12 N 1.47 0.46 0.10 0.00 0.00 -1.27 0.67 119.26 120.69 1tof h ALA 12 Ca 0.23 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1tof h ALA 12 Cb 0.35 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1tof h ALA 12 CO -0.47 0.23 -0.46 2.35 0.00 0.00 0.00 179.25 180.90 1tof h TRP 13 N 0.42 -1.34 -0.19 0.00 2.91 -0.23 0.22 115.95 117.73 1tof h TRP 13 Ca 0.10 0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.17 1tof h TRP 13 Cb 0.47 0.57 -0.02 0.00 -0.51 0.00 0.00 29.16 29.67 1tof h TRP 13 CO 0.04 -0.52 0.07 -0.44 -1.03 0.00 0.00 178.44 176.56 1tof h ASP 14 N -0.66 0.10 0.22 2.65 3.32 -0.72 -0.46 116.42 120.87 1tof h ASP 14 Ca -0.01 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1tof h ASP 14 Cb 0.66 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1tof h ASP 14 CO -0.25 0.08 -0.34 0.00 -1.72 0.00 0.00 179.24 177.00 1tof h ALA 15 N 1.11 -0.95 -0.24 3.45 0.00 -0.66 -0.85 119.26 121.13 1tof h ALA 15 Ca 0.08 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1tof h ALA 15 Cb 0.04 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1tof h ALA 15 CO -0.08 -1.00 0.11 0.37 0.00 0.00 0.00 179.25 178.65 1tof h GLN 16 N -0.60 0.22 -0.68 0.00 4.15 -0.90 0.14 115.11 117.45 1tof h GLN 16 Ca -0.03 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.52 1tof h GLN 16 Cb 0.55 -0.05 -0.13 0.00 0.21 0.00 0.00 27.48 28.06 1tof h GLN 16 CO -0.11 0.15 -0.16 1.25 -1.93 0.00 0.00 178.83 178.03 1tof h LEU 17 N 0.23 -0.61 0.02 -2.39 5.85 -0.94 -2.08 115.31 115.38 1tof h LEU 17 Ca 0.10 0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.89 1tof h LEU 17 Cb 0.04 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1tof h LEU 17 CO -0.08 -0.22 -0.71 0.00 -0.34 0.00 0.00 178.44 177.09 1tof h ALA 18 N 1.68 0.13 -0.27 1.25 0.00 -0.69 -3.36 119.26 117.99 1tof h ALA 18 Ca 0.33 -0.87 0.08 0.00 0.00 0.00 0.00 54.91 54.45 1tof h ALA 18 Cb 0.51 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1tof h ALA 18 CO -0.69 0.40 0.22 1.57 0.00 0.00 0.00 179.25 180.74 1tof h LYS 19 N -0.91 0.00 -0.89 0.00 2.10 -0.69 0.87 116.57 117.06 1tof h LYS 19 Ca -0.19 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.59 1tof h LYS 19 Cb 1.23 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.49 1tof h LYS 19 CO -0.08 0.00 0.57 0.78 -2.00 0.00 0.00 179.45 178.72 1tof h GLY 20 N 0.00 1.25 -6.71 0.07 0.00 -1.52 -3.46 103.07 92.69 1tof h GLY 20 Ca 0.13 -0.33 -0.54 0.00 0.00 0.00 0.00 47.33 46.59 1tof h GLY 20 CO -0.00 0.13 -0.93 0.28 0.00 0.00 0.00 176.54 176.02 1tof n LYS 21 N -4.56 -2.10 -1.11 4.80 5.02 0.30 -4.79 118.16 115.72 1tof n LYS 21 Ca 0.17 0.28 -0.28 0.00 -2.02 0.00 0.00 58.31 56.45 1tof n LYS 21 Cb 0.41 -4.02 -0.07 0.00 -0.02 0.00 0.00 35.03 31.33 1tof n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1tof n GLU 22 N -4.50 2.90 -0.02 1.97 -0.58 -1.25 -4.82 120.64 114.34 1tof n GLU 22 Ca -0.29 -1.69 -0.00 0.00 -0.42 0.00 0.00 57.16 54.76 1tof n GLU 22 Cb 0.67 -2.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.06 1tof n GLU 22 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1tof n GLU 23 N 3.31 -0.02 -3.06 3.49 1.02 -1.26 -0.11 120.64 124.01 1tof n GLU 23 Ca 0.62 0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 57.70 1tof n GLU 23 Cb 0.42 -0.22 -0.03 0.00 -0.02 0.00 0.00 31.44 31.59 1tof n GLU 23 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1tof n HIS 24 N -2.81 1.66 -4.19 -0.32 -0.00 -1.26 -3.80 115.22 104.50 1tof n HIS 24 Ca 0.00 -3.81 -0.16 0.00 -0.00 0.00 0.00 57.72 53.75 1tof n HIS 24 Cb 0.01 -0.43 -0.14 0.00 -0.00 0.00 0.00 29.99 29.43 1tof n HIS 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1tof s LYS 25 N -2.86 0.53 -0.42 1.57 1.02 -0.04 -4.90 119.74 114.65 1tof s LYS 25 Ca 0.43 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 1tof s LYS 25 Cb 0.33 -0.47 0.02 0.00 -0.52 0.00 0.00 37.83 37.19 1tof s LYS 25 CO -0.10 0.12 1.27 -1.25 -0.92 0.00 0.00 175.35 174.47 1tof s PRO 26 N -0.48 3.71 -0.69 -1.68 0.04 -1.26 -4.17 135.00 130.47 1tof s PRO 26 Ca -0.00 0.85 -0.20 0.00 0.04 0.00 0.00 61.00 61.69 1tof s PRO 26 Cb -0.04 -3.94 0.10 0.00 0.04 0.00 0.00 34.50 30.66 1tof s PRO 26 CO -0.00 -1.39 0.88 0.42 0.04 0.00 0.00 177.00 176.94 1tof s ILE 27 N 4.80 4.68 -0.36 0.56 1.01 -0.26 -0.99 121.20 130.63 1tof s ILE 27 Ca 0.54 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 60.01 1tof s ILE 27 Cb -0.11 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.75 1tof s ILE 27 CO 0.30 -1.31 0.65 -0.69 0.00 0.00 0.00 174.94 173.89 1tof s VAL 28 N 3.01 4.87 -0.30 2.92 1.01 0.77 -0.61 120.40 132.07 1tof s VAL 28 Ca 0.19 0.59 -0.08 0.00 0.00 0.00 0.00 61.98 62.68 1tof s VAL 28 Cb -0.17 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1tof s VAL 28 CO 0.04 -0.35 0.11 -0.69 0.00 0.00 0.00 175.10 174.21 1tof s VAL 29 N 2.76 4.27 -0.49 2.92 1.01 0.63 -0.33 120.40 131.17 1tof s VAL 29 Ca 0.25 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1tof s VAL 29 Cb -0.14 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.16 1tof s VAL 29 CO 0.15 0.11 0.42 -0.62 0.00 0.00 0.00 175.10 175.16 1tof s ASP 30 N 1.56 6.15 -0.90 3.32 2.15 -0.02 -0.56 116.67 128.37 1tof s ASP 30 Ca 0.04 -1.47 -0.18 0.00 0.43 0.00 0.00 52.55 51.37 1tof s ASP 30 Cb -0.17 -2.19 0.15 0.00 -0.30 0.00 0.00 42.92 40.41 1tof s ASP 30 CO 0.04 -0.71 1.05 -0.36 -0.17 0.00 0.00 175.17 175.02 1tof s PHE 31 N 1.63 3.22 -0.05 -5.34 0.08 0.33 -0.57 117.98 117.29 1tof s PHE 31 Ca 0.04 -1.48 0.04 0.00 0.12 0.00 0.00 56.93 55.65 1tof s PHE 31 Cb -0.26 -4.19 -0.02 0.00 -0.57 0.00 0.00 43.02 37.97 1tof s PHE 31 CO 0.05 -1.40 -0.16 0.99 -0.10 0.00 0.00 175.22 174.61 1tof s THR 32 N 2.26 2.92 -1.17 0.64 2.01 -1.25 -0.74 115.64 120.32 1tof s THR 32 Ca 0.29 -0.77 -0.18 0.00 0.31 0.00 0.00 61.69 61.34 1tof s THR 32 Cb -0.06 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1tof s THR 32 CO -0.09 0.59 2.03 0.00 -0.69 0.00 0.00 174.62 176.46 1tof n ALA 33 N 2.36 4.15 -0.10 7.40 0.00 -1.26 -3.47 120.51 129.59 1tof n ALA 33 Ca -0.17 -3.60 0.03 0.00 0.00 0.00 0.00 53.44 49.70 1tof n ALA 33 Cb 0.52 -3.58 0.07 0.00 0.00 0.00 0.00 19.45 16.46 1tof n ALA 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1tof n THR 34 N 5.84 -0.12 -0.32 0.00 -1.04 -1.26 -1.05 114.28 116.34 1tof n THR 34 Ca 0.50 0.63 0.10 0.00 -2.04 0.00 0.00 64.05 63.25 1tof n THR 34 Cb 0.41 -0.91 0.31 0.00 -1.82 0.00 0.00 70.33 68.33 1tof n THR 34 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1tof h TRP 35 N 0.00 0.99 0.00 -1.42 7.01 -2.00 -3.36 115.95 117.18 1tof h TRP 35 Ca 0.16 0.03 -0.65 0.00 2.11 0.00 0.00 58.89 60.53 1tof h TRP 35 Cb 0.29 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 1tof h TRP 35 CO -0.17 0.36 3.09 0.00 -2.79 0.00 0.00 178.44 178.92 1tof n GLY 37 N 4.02 0.00 0.34 0.00 0.00 -1.26 -0.22 105.19 108.07 1tof n GLY 37 Ca 0.57 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.77 1tof n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tof h PRO 38 N 0.00 0.02 -1.05 1.61 0.11 -1.93 0.85 132.00 131.62 1tof h PRO 38 Ca 0.00 -0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.44 1tof h PRO 38 Cb 0.00 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 30.96 1tof h PRO 38 CO 0.00 0.02 0.62 0.00 -0.21 0.00 0.00 178.00 178.42 1tof h LYS 40 N 0.31 0.20 -0.29 0.00 1.57 -1.00 -1.71 116.57 115.67 1tof h LYS 40 Ca 0.73 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.58 1tof h LYS 40 Cb 1.75 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.00 1tof h LYS 40 CO -0.54 0.13 0.37 0.00 -0.57 0.00 0.00 179.45 178.84 1tof h MET 41 N 0.21 0.00 -0.30 3.15 -0.00 -1.23 0.30 114.93 117.06 1tof h MET 41 Ca 0.55 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 60.10 1tof h MET 41 Cb 1.75 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.34 1tof h MET 41 CO -0.15 0.00 -0.42 0.82 -0.00 0.00 0.00 176.91 177.16 1tof h ILE 42 N 0.00 1.29 0.55 -0.10 2.04 -1.53 -3.33 117.51 116.43 1tof h ILE 42 Ca 0.14 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 1tof h ILE 42 Cb 0.87 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1tof h ILE 42 CO -0.00 0.52 -0.37 0.00 0.00 0.00 0.00 178.15 178.29 1tof h ALA 43 N 0.93 -0.92 -0.12 1.87 0.00 -1.12 -0.27 119.26 119.64 1tof h ALA 43 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1tof h ALA 43 Cb 0.97 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1tof h ALA 43 CO 0.09 -1.04 0.10 -1.00 0.00 0.00 0.00 179.25 177.40 1tof h PRO 44 N -0.89 0.00 -0.03 0.00 0.13 -1.70 0.15 132.00 129.66 1tof h PRO 44 Ca -0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.93 1tof h PRO 44 Cb 0.74 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.88 1tof h PRO 44 CO 0.04 0.00 -0.51 -0.07 -0.23 0.00 0.00 178.00 177.23 1tof h LEU 45 N 0.00 0.50 -1.10 1.56 3.38 -1.56 0.55 115.31 118.65 1tof h LEU 45 Ca 0.06 -0.73 0.10 0.00 0.09 0.00 0.00 57.88 57.40 1tof h LEU 45 Cb 0.25 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1tof h LEU 45 CO -0.00 1.16 0.61 0.15 0.09 0.00 0.00 178.44 180.45 1tof h PHE 46 N -0.12 1.07 -0.16 1.13 3.57 -0.17 -0.02 116.94 122.24 1tof h PHE 46 Ca -0.06 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 1tof h PHE 46 Cb 1.21 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1tof h PHE 46 CO 0.14 0.48 -0.48 0.93 -2.23 0.00 0.00 178.31 177.15 1tof h GLU 47 N 0.98 0.42 -0.64 1.11 5.08 -0.82 -2.95 114.58 117.75 1tof h GLU 47 Ca 0.45 -0.23 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1tof h GLU 47 Cb 0.40 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1tof h GLU 47 CO -0.21 0.81 0.31 1.15 -1.00 0.00 0.00 179.01 180.07 1tof h THR 48 N 0.34 0.87 0.00 1.13 2.02 0.20 0.17 112.91 117.63 1tof h THR 48 Ca 0.02 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1tof h THR 48 Cb 0.96 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1tof h THR 48 CO 0.08 0.10 0.00 -0.07 0.37 0.00 0.00 175.52 176.00 1tof h LEU 49 N 0.55 0.00 -1.20 2.58 3.38 -1.09 0.10 115.31 119.63 1tof h LEU 49 Ca 0.31 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.30 1tof h LEU 49 Cb 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1tof h LEU 49 CO -0.24 0.00 0.55 0.77 0.09 0.00 0.00 178.44 179.61 1tof h SER 50 N 0.00 0.90 -0.07 -0.43 4.64 -0.68 0.52 113.55 118.43 1tof h SER 50 Ca 0.00 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1tof h SER 50 Cb 0.02 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1tof h SER 50 CO 0.00 0.63 0.03 -1.13 -0.87 0.00 0.00 176.83 175.49 1tof h ASN 51 N 1.05 0.09 0.53 4.97 -1.24 -0.86 0.74 115.58 120.87 1tof h ASN 51 Ca 0.32 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 1tof h ASN 51 Cb -0.02 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 1tof h ASN 51 CO -0.09 0.20 -0.51 0.44 -1.29 0.00 0.00 177.43 176.19 1tof h ASP 52 N -0.02 -1.38 -1.04 1.15 5.19 -1.51 -3.17 116.42 115.64 1tof h ASP 52 Ca 0.02 0.11 -0.74 0.00 -0.62 0.00 0.00 57.03 55.80 1tof h ASP 52 Cb 0.13 0.45 -0.11 0.00 0.18 0.00 0.00 39.33 39.98 1tof h ASP 52 CO -0.00 -0.68 2.45 -1.22 -3.12 0.00 0.00 179.24 176.67 1tof n TYR 53 N -5.57 2.79 -1.18 4.55 4.01 0.14 -4.84 117.16 117.06 1tof n TYR 53 Ca -0.12 -2.85 -0.39 0.00 -0.16 0.00 0.00 57.90 54.38 1tof n TYR 53 Cb 0.47 -2.01 -0.04 0.00 -0.31 0.00 0.00 39.34 37.46 1tof n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tof n ALA 54 N 3.18 4.18 -3.00 -0.72 0.00 -1.10 -2.58 120.51 120.46 1tof n ALA 54 Ca 0.53 -3.17 0.00 0.00 0.00 0.00 0.00 53.44 50.81 1tof n ALA 54 Cb 0.31 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.27 1tof n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tof n GLY 55 N 4.26 2.27 2.58 0.00 0.00 -1.26 -4.75 105.19 108.29 1tof n GLY 55 Ca 0.50 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1tof n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tof n LYS 56 N 0.00 2.95 -5.06 1.61 5.02 -1.26 -3.51 118.16 117.90 1tof n LYS 56 Ca 0.00 -2.20 -0.32 0.00 -2.02 0.00 0.00 58.31 53.77 1tof n LYS 56 Cb 0.00 -2.93 -0.16 0.00 -0.02 0.00 0.00 35.03 31.92 1tof n LYS 56 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1tof s VAL 57 N 3.00 2.45 -0.58 -0.18 -7.23 -1.26 -4.56 120.40 112.04 1tof s VAL 57 Ca 0.56 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 1tof s VAL 57 Cb 0.15 -1.96 0.15 0.00 0.56 0.00 0.00 36.38 35.28 1tof s VAL 57 CO -0.05 0.55 0.47 -0.63 -0.31 0.00 0.00 175.10 175.13 1tof s ILE 58 N 0.18 4.56 -0.35 -0.62 -1.09 -0.17 -3.11 121.20 120.61 1tof s ILE 58 Ca -0.11 -2.07 -0.20 0.00 -2.23 0.00 0.00 60.65 56.04 1tof s ILE 58 Cb -0.16 -3.94 -0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1tof s ILE 58 CO 0.06 -0.86 0.60 -0.36 -1.23 0.00 0.00 174.94 173.15 1tof s PHE 59 N 0.93 3.17 -0.41 3.97 0.40 -0.21 -0.16 117.98 125.66 1tof s PHE 59 Ca 0.10 0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.74 1tof s PHE 59 Cb -0.23 -3.06 0.11 0.00 0.51 0.00 0.00 43.02 40.36 1tof s PHE 59 CO -0.02 -0.58 0.19 -0.51 0.70 0.00 0.00 175.22 174.99 1tof s LEU 60 N 2.60 5.11 -0.38 -0.37 1.43 0.55 -0.86 118.68 126.77 1tof s LEU 60 Ca 0.23 -2.16 -0.29 0.00 -1.03 0.00 0.00 54.13 50.88 1tof s LEU 60 Cb -0.15 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1tof s LEU 60 CO 0.14 -0.48 1.11 -0.75 0.23 0.00 0.00 176.35 176.59 1tof s LYS 61 N 0.95 3.92 -0.22 1.70 2.20 -0.31 -0.84 119.74 127.14 1tof s LYS 61 Ca 0.10 0.87 -0.20 0.00 -0.36 0.00 0.00 55.97 56.38 1tof s LYS 61 Cb -0.22 -3.81 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 1tof s LYS 61 CO -0.05 -1.10 0.58 0.08 -0.36 0.00 0.00 175.35 174.50 1tof s VAL 62 N 4.00 5.04 -1.01 4.02 1.01 0.27 -0.44 120.40 133.29 1tof s VAL 62 Ca 0.47 1.06 -0.24 0.00 0.00 0.00 0.00 61.98 63.27 1tof s VAL 62 Cb -0.10 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1tof s VAL 62 CO 0.22 0.10 1.94 -1.81 0.00 0.00 0.00 175.10 175.55 1tof s ASP 63 N 1.31 5.12 0.25 3.32 1.01 -0.11 -3.77 116.67 123.80 1tof s ASP 63 Ca 0.26 -1.07 -0.11 0.00 0.71 0.00 0.00 52.55 52.33 1tof s ASP 63 Cb -0.16 -2.57 0.37 0.00 1.01 0.00 0.00 42.92 41.57 1tof s ASP 63 CO 0.09 -2.86 1.58 0.58 0.21 0.00 0.00 175.17 174.77 1tof h VAL 64 N 6.83 0.10 -0.42 -1.27 2.07 -1.87 0.17 116.25 121.87 1tof h VAL 64 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 1tof h VAL 64 Cb 0.98 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1tof h VAL 64 CO 1.22 0.00 0.29 0.44 0.02 0.00 0.00 177.57 179.54 1tof h ASP 65 N -0.01 0.13 0.00 0.57 3.32 -1.87 -1.60 116.42 116.96 1tof h ASP 65 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1tof h ASP 65 Cb 0.64 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1tof h ASP 65 CO -0.91 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 176.69 1tof n ALA 66 N -2.57 0.00 -1.86 3.45 0.00 0.51 -4.47 120.51 115.56 1tof n ALA 66 Ca 0.06 -0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 1tof n ALA 66 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 1tof n ALA 66 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1tof n VAL 67 N -2.01 4.86 -0.34 0.00 0.24 -0.57 -4.66 118.33 115.85 1tof n VAL 67 Ca 0.00 -3.87 0.12 0.00 -2.04 0.00 0.00 64.34 58.55 1tof n VAL 67 Cb 0.00 -2.26 0.32 0.00 -1.47 0.00 0.00 33.84 30.43 1tof n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tof h ALA 68 N 4.88 1.68 -0.87 2.33 0.00 -1.51 0.41 119.26 126.18 1tof h ALA 68 Ca 0.71 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.71 1tof h ALA 68 Cb 0.35 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1tof h ALA 68 CO 1.59 -0.01 0.56 0.00 0.00 0.00 0.00 179.25 181.38 1tof h ALA 69 N 1.61 1.15 -0.16 0.00 0.00 -1.86 0.11 119.26 120.12 1tof h ALA 69 Ca 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 1tof h ALA 69 Cb 0.81 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1tof h ALA 69 CO -0.33 0.40 -0.03 0.28 0.00 0.00 0.00 179.25 179.57 1tof h VAL 70 N 1.08 1.28 -0.37 0.00 2.07 -1.32 0.55 116.25 119.55 1tof h VAL 70 Ca 0.35 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1tof h VAL 70 Cb 0.01 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1tof h VAL 70 CO -0.12 0.28 -0.02 0.00 0.02 0.00 0.00 177.57 177.74 1tof h ALA 71 N 0.72 0.32 0.16 1.67 0.00 -1.00 0.10 119.26 121.24 1tof h ALA 71 Ca 0.04 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1tof h ALA 71 Cb 0.45 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1tof h ALA 71 CO 0.01 -0.41 -0.33 1.49 0.00 0.00 0.00 179.25 180.02 1tof h GLU 72 N 0.08 -0.56 -0.86 0.00 4.81 -0.59 0.19 114.58 117.65 1tof h GLU 72 Ca 0.18 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 1tof h GLU 72 Cb 0.26 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 1tof h GLU 72 CO -0.32 -0.37 0.52 0.00 -0.73 0.00 0.00 179.01 178.11 1tof h ALA 73 N 0.03 1.22 0.00 2.92 0.00 -0.37 0.14 119.26 123.20 1tof h ALA 73 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1tof h ALA 73 Cb 0.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1tof h ALA 73 CO -0.17 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1tof n ALA 74 N -2.36 1.85 -1.67 0.00 0.00 0.32 -4.89 120.51 113.76 1tof n ALA 74 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1tof n ALA 74 Cb 0.25 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1tof n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tof n GLY 75 N 0.28 0.66 3.64 0.00 0.00 0.49 -5.02 105.19 105.23 1tof n GLY 75 Ca 0.06 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1tof n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tof s ILE 76 N -2.02 4.57 0.00 -0.61 1.09 -0.04 -4.88 121.20 119.32 1tof s ILE 76 Ca 0.00 1.73 0.00 0.00 -1.10 0.00 0.00 60.65 61.28 1tof s ILE 76 Cb 0.00 -4.37 0.00 0.00 -1.06 0.00 0.00 42.46 37.03 1tof s ILE 76 CO 0.00 -0.41 0.00 0.35 -0.10 0.00 0.00 174.94 174.78 1tof n THR 77 N 5.74 0.00 -3.11 2.92 -2.24 -1.26 -4.54 114.28 111.79 1tof n THR 77 Ca 0.11 0.40 -0.28 0.00 -2.27 0.00 0.00 64.05 62.01 1tof n THR 77 Cb 0.47 -1.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.28 1tof n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tof s ALA 78 N -3.20 3.53 0.12 6.98 0.00 -1.26 -5.12 121.76 122.81 1tof s ALA 78 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1tof s ALA 78 Cb 0.00 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.71 1tof s ALA 78 CO 0.00 0.06 0.30 0.00 0.00 0.00 0.00 175.76 176.12 1tof s MET 79 N -3.90 1.01 0.37 0.00 0.00 -1.26 -4.52 119.30 111.01 1tof s MET 79 Ca 0.46 -0.90 -0.27 0.00 0.00 0.00 0.00 55.69 54.98 1tof s MET 79 Cb -0.10 0.41 -0.09 0.00 0.00 0.00 0.00 34.83 35.04 1tof s MET 79 CO 0.33 -0.37 1.30 -1.25 0.00 0.00 0.00 175.02 175.04 1tof s PRO 80 N -3.86 4.15 -0.07 3.16 0.04 -1.26 -4.88 135.00 132.28 1tof s PRO 80 Ca 0.06 2.18 -0.00 0.00 0.04 0.00 0.00 61.00 63.28 1tof s PRO 80 Cb 0.03 -2.90 0.03 0.00 0.04 0.00 0.00 34.50 31.69 1tof s PRO 80 CO -0.09 -0.34 -0.03 0.99 0.04 0.00 0.00 177.00 177.56 1tof s THR 81 N -1.21 0.59 -0.26 1.26 2.01 0.09 -0.49 115.64 117.63 1tof s THR 81 Ca 0.53 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 1tof s THR 81 Cb -0.39 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 1tof s THR 81 CO 0.51 0.28 0.09 -0.36 -0.69 0.00 0.00 174.62 174.45 1tof s PHE 82 N 1.62 3.11 0.15 4.92 0.40 0.73 -0.51 117.98 128.40 1tof s PHE 82 Ca 0.01 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 56.00 1tof s PHE 82 Cb -0.13 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1tof s PHE 82 CO -0.04 -0.35 0.06 -1.01 0.70 0.00 0.00 175.22 174.57 1tof s HIS 83 N 1.63 3.03 -0.17 0.36 3.76 0.27 -0.32 115.29 123.84 1tof s HIS 83 Ca 0.06 -0.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1tof s HIS 83 Cb -0.15 -1.48 0.03 0.00 1.11 0.00 0.00 32.58 32.09 1tof s HIS 83 CO 0.05 0.51 -0.12 0.08 -0.85 0.00 0.00 174.74 174.41 1tof s VAL 84 N -1.63 1.58 -0.19 -0.90 1.01 0.31 -0.26 120.40 120.31 1tof s VAL 84 Ca 0.29 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1tof s VAL 84 Cb -0.10 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1tof s VAL 84 CO 0.21 0.30 0.02 -0.31 0.00 0.00 0.00 175.10 175.31 1tof s TYR 85 N 1.45 3.09 -0.21 5.22 1.51 0.21 -0.03 117.35 128.61 1tof s TYR 85 Ca 0.02 -0.28 -0.18 0.00 -1.01 0.00 0.00 57.07 55.62 1tof s TYR 85 Cb -0.15 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1tof s TYR 85 CO -0.09 -0.11 0.51 0.15 -1.11 0.00 0.00 175.55 174.90 1tof s LYS 86 N 0.77 4.17 0.00 -0.62 1.02 0.14 -1.10 119.74 124.12 1tof s LYS 86 Ca 0.01 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.38 1tof s LYS 86 Cb -0.14 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1tof s LYS 86 CO 0.02 -0.16 0.00 -3.47 -0.92 0.00 0.00 175.35 170.82 1tof n ASP 87 N 4.85 0.00 -0.27 2.83 2.03 0.84 -0.64 116.55 126.19 1tof n ASP 87 Ca -0.05 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.26 1tof n ASP 87 Cb 0.50 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1tof n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tof n GLY 88 N 0.00 -0.05 3.13 0.27 0.00 -1.26 -3.91 105.19 103.37 1tof n GLY 88 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1tof n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tof s VAL 89 N 0.00 1.73 -0.21 1.61 1.01 0.18 -5.07 120.40 119.65 1tof s VAL 89 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 1tof s VAL 89 Cb 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1tof s VAL 89 CO 0.00 0.49 2.11 -0.75 0.00 0.00 0.00 175.10 176.94 1tof s LYS 90 N 0.65 3.29 -0.10 2.72 2.20 -1.26 -0.69 119.74 126.55 1tof s LYS 90 Ca -0.13 1.99 0.06 0.00 -0.36 0.00 0.00 55.97 57.53 1tof s LYS 90 Cb -0.16 -4.31 -0.24 0.00 -1.51 0.00 0.00 37.83 31.61 1tof s LYS 90 CO 0.04 -1.92 0.44 0.00 -0.36 0.00 0.00 175.35 173.54 1tof n ALA 91 N 10.93 1.30 -3.33 3.13 0.00 0.96 -4.91 120.51 128.59 1tof n ALA 91 Ca 0.27 -0.80 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 1tof n ALA 91 Cb 0.45 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 1tof n ALA 91 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1tof s ASP 92 N -6.35 -0.23 0.10 0.00 2.15 -0.74 -5.00 116.67 106.60 1tof s ASP 92 Ca -0.13 -0.57 -0.04 0.00 0.43 0.00 0.00 52.55 52.24 1tof s ASP 92 Cb 0.07 0.59 -0.02 0.00 -0.30 0.00 0.00 42.92 43.26 1tof s ASP 92 CO 0.79 -1.09 0.11 -1.81 -0.17 0.00 0.00 175.17 173.00 1tof s ASP 93 N -2.90 0.26 -0.19 -0.34 1.11 -1.26 -0.53 116.67 112.82 1tof s ASP 93 Ca 0.11 -0.94 -0.27 0.00 0.18 0.00 0.00 52.55 51.64 1tof s ASP 93 Cb -0.01 0.31 0.07 0.00 1.07 0.00 0.00 42.92 44.35 1tof s ASP 93 CO -0.00 -0.72 0.70 -0.22 1.18 0.00 0.00 175.17 176.11 1tof s LEU 94 N -2.95 -0.71 0.15 1.23 0.20 0.56 -4.97 118.68 112.19 1tof s LEU 94 Ca 0.13 1.19 0.09 0.00 0.69 0.00 0.00 54.13 56.23 1tof s LEU 94 Cb 0.06 2.48 -0.04 0.00 -0.43 0.00 0.00 46.19 48.26 1tof s LEU 94 CO -0.05 -0.37 -0.16 -0.69 -0.29 0.00 0.00 176.35 174.78 1tof s VAL 95 N -0.16 2.88 0.00 1.68 1.01 -1.26 -0.19 120.40 124.36 1tof s VAL 95 Ca -0.04 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.31 1tof s VAL 95 Cb -0.03 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1tof s VAL 95 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1tof n GLY 96 N 0.48 -1.51 3.32 4.51 0.00 0.35 -4.95 105.19 107.40 1tof n GLY 96 Ca -0.14 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 1tof n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tof s ALA 97 N -1.40 -1.06 -0.30 4.61 0.00 -1.26 -4.51 121.76 117.84 1tof s ALA 97 Ca 0.00 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 1tof s ALA 97 Cb 0.00 -0.70 0.19 0.00 0.00 0.00 0.00 23.12 22.60 1tof s ALA 97 CO 0.00 -0.20 0.72 -1.12 0.00 0.00 0.00 175.76 175.16 1tof s SER 98 N 0.23 -1.16 0.18 0.00 0.01 -1.26 -5.07 113.70 106.62 1tof s SER 98 Ca -0.00 0.61 -0.15 0.00 1.31 0.00 0.00 55.95 57.72 1tof s SER 98 Cb -0.03 1.93 0.16 0.00 0.21 0.00 0.00 66.02 68.28 1tof s SER 98 CO 0.01 -0.22 1.67 1.56 0.41 0.00 0.00 173.24 176.67 1tof h GLN 99 N 7.96 0.06 -0.66 12.44 7.50 -1.99 0.16 115.11 140.59 1tof h GLN 99 Ca -0.17 -0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.01 1tof h GLN 99 Cb 1.17 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 28.64 1tof h GLN 99 CO 0.14 0.04 0.39 0.38 -1.50 0.00 0.00 178.83 178.29 1tof h ASP 100 N 0.06 0.63 -0.43 1.46 2.03 -1.99 0.71 116.42 118.90 1tof h ASP 100 Ca 0.23 0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 56.44 1tof h ASP 100 Cb 0.35 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 1tof h ASP 100 CO -0.43 0.43 -0.12 0.50 -1.03 0.00 0.00 179.24 178.60 1tof h LYS 101 N 0.76 0.89 -0.26 4.15 1.63 -1.61 0.39 116.57 122.53 1tof h LYS 101 Ca 0.27 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1tof h LYS 101 Cb 0.07 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1tof h LYS 101 CO -0.13 0.96 0.11 -0.07 -3.45 0.00 0.00 179.45 176.87 1tof h LEU 102 N 0.80 0.35 -0.32 5.20 3.38 -0.19 0.21 115.31 124.73 1tof h LEU 102 Ca 0.13 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1tof h LEU 102 Cb 0.64 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1tof h LEU 102 CO 0.04 0.41 -0.02 0.50 0.09 0.00 0.00 178.44 179.47 1tof h LYS 103 N 0.27 0.07 -0.40 1.13 3.64 -0.51 -0.28 116.57 120.49 1tof h LYS 103 Ca 0.09 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1tof h LYS 103 Cb 0.17 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1tof h LYS 103 CO -0.01 0.04 0.21 0.00 -2.27 0.00 0.00 179.45 177.43 1tof h ALA 104 N 1.29 0.51 0.04 5.00 0.00 -0.65 -0.28 119.26 125.16 1tof h ALA 104 Ca 0.16 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1tof h ALA 104 Cb 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1tof h ALA 104 CO -0.28 -0.14 -0.17 -0.07 0.00 0.00 0.00 179.25 178.60 1tof h LEU 105 N 0.43 -0.48 -0.04 0.00 3.38 0.13 0.12 115.31 118.85 1tof h LEU 105 Ca 0.17 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1tof h LEU 105 Cb 0.06 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1tof h LEU 105 CO -0.11 -0.23 -0.08 0.58 0.09 0.00 0.00 178.44 178.69 1tof h VAL 106 N -0.30 0.79 0.01 1.22 2.07 -0.80 -0.27 116.25 118.97 1tof h VAL 106 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1tof h VAL 106 Cb 0.34 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1tof h VAL 106 CO -0.13 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.15 1tof h ALA 107 N 0.91 -0.44 -0.02 1.67 0.00 -0.76 0.28 119.26 120.90 1tof h ALA 107 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1tof h ALA 107 Cb 0.18 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1tof h ALA 107 CO -0.11 -0.81 -0.34 -0.22 0.00 0.00 0.00 179.25 177.77 1tof h LYS 108 N -0.46 -0.40 0.00 0.00 1.63 -0.52 0.52 116.57 117.35 1tof h LYS 108 Ca 0.06 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1tof h LYS 108 Cb 0.54 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1tof h LYS 108 CO -0.25 -0.26 -0.09 0.45 -3.45 0.00 0.00 179.45 175.84 1tof h HIS 109 N -0.41 0.00 -0.14 1.91 3.86 -0.91 -0.49 115.15 118.98 1tof h HIS 109 Ca 0.01 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 1tof h HIS 109 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1tof h HIS 109 CO -0.48 0.09 -0.31 0.00 0.86 0.00 0.00 177.93 178.09 1tof h ALA 110 N 1.91 0.23 -3.00 2.45 0.00 0.01 -3.39 119.26 117.47 1tof h ALA 110 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1tof h ALA 110 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1tof h ALA 110 CO 0.01 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1tof n ALA 111 N -2.49 0.00 -1.70 0.00 0.00 0.14 -4.94 120.51 111.51 1tof n ALA 111 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1tof n ALA 111 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1tof n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50