#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dof h LEU 3 N 0.00 -1.05 -1.25 0.99 5.85 -2.05 -2.58 115.31 115.23 3dof h LEU 3 Ca 0.00 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3dof h LEU 3 Cb 0.00 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3dof h LEU 3 CO 0.00 -0.73 0.54 -0.07 -0.34 0.00 0.00 178.44 177.84 3dof h LEU 4 N -1.28 0.80 -0.68 2.25 4.07 -2.05 0.31 115.31 118.73 3dof h LEU 4 Ca -0.13 0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.74 3dof h LEU 4 Cb 0.95 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 3dof h LEU 4 CO 0.21 0.51 -0.09 0.71 -1.08 0.00 0.00 178.44 178.70 3dof h THR 5 N 0.91 1.26 0.03 0.22 1.35 -2.00 -2.44 112.91 112.24 3dof h THR 5 Ca 0.36 -1.21 -0.05 0.00 -0.55 0.00 0.00 66.41 64.95 3dof h THR 5 Cb 0.23 0.97 0.01 0.00 -1.73 0.00 0.00 68.15 67.62 3dof h THR 5 CO -0.13 0.42 -0.23 0.40 -0.25 0.00 0.00 175.52 175.74 3dof h ILE 6 N 0.84 1.66 -0.80 6.82 2.04 -0.91 -3.18 117.51 123.98 3dof h ILE 6 Ca 0.14 -2.24 0.16 0.00 1.00 0.00 0.00 64.86 63.91 3dof h ILE 6 Cb 0.62 3.16 -0.15 0.00 -0.74 0.00 0.00 36.82 39.71 3dof h ILE 6 CO 0.04 0.60 -0.20 -0.07 0.00 0.00 0.00 178.15 178.53 3dof h LEU 7 N -0.73 -0.74 -1.17 1.44 3.38 -0.45 0.57 115.31 117.61 3dof h LEU 7 Ca -0.04 0.24 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3dof h LEU 7 Cb 1.11 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3dof h LEU 7 CO 0.04 -0.26 -0.24 0.07 0.09 0.00 0.00 178.44 178.14 3dof h LYS 8 N 0.00 0.27 0.00 1.13 5.09 -1.55 -2.10 116.57 119.41 3dof h LYS 8 Ca 0.38 -0.09 0.00 0.00 0.09 0.00 0.00 60.65 61.03 3dof h LYS 8 Cb 0.58 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.89 3dof h LYS 8 CO -0.82 0.51 -0.12 1.17 -2.09 0.00 0.00 179.45 178.10 3dof n LYS 9 N -4.16 0.00 -0.09 0.07 3.00 0.05 -2.28 118.16 114.75 3dof n LYS 9 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.10 3dof n LYS 9 Cb 0.36 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.77 3dof n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dof n MET 10 N -1.50 0.67 -1.20 1.64 0.00 -0.36 -4.40 117.12 111.97 3dof n MET 10 Ca 0.07 0.22 -0.23 0.00 0.00 0.00 0.00 57.70 57.75 3dof n MET 10 Cb 0.34 -1.58 0.17 0.00 0.00 0.00 0.00 33.22 32.14 3dof n MET 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 3dof n LYS 11 N -3.48 2.28 -1.76 3.17 2.85 -0.83 -5.01 118.16 115.38 3dof n LYS 11 Ca -0.42 -3.10 -0.41 0.00 -1.05 0.00 0.00 58.31 53.33 3dof n LYS 11 Cb 0.98 -2.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 3dof n LYS 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dof n GLN 12 N -1.11 2.45 -1.74 -1.58 10.64 -0.96 -4.92 117.38 120.15 3dof n GLN 12 Ca 0.57 0.86 -0.41 0.00 -1.83 0.00 0.00 57.00 56.19 3dof n GLN 12 Cb 1.44 -2.59 0.01 0.00 -0.86 0.00 0.00 30.24 28.23 3dof n GLN 12 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3dof n LYS 13 N 0.28 2.33 0.07 2.61 4.76 -1.26 -4.94 118.16 122.00 3dof n LYS 13 Ca 0.03 0.82 -0.21 0.00 -2.87 0.00 0.00 58.31 56.08 3dof n LYS 13 Cb 0.39 -2.55 -0.13 0.00 -1.84 0.00 0.00 35.03 30.91 3dof n LYS 13 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 3dof h GLU 14 N 2.54 0.56 -0.46 1.97 4.11 -2.02 -3.30 114.58 117.98 3dof h GLU 14 Ca -0.49 -0.73 0.00 0.00 0.07 0.00 0.00 59.36 58.20 3dof h GLU 14 Cb 1.27 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3dof h GLU 14 CO 0.62 1.32 0.00 0.54 0.07 0.00 0.00 179.01 181.56 3dof n ARG 15 N -3.91 3.99 -3.58 1.06 1.74 -1.26 -4.90 116.66 109.79 3dof n ARG 15 Ca -0.13 -2.98 -0.38 0.00 -0.77 0.00 0.00 57.85 53.59 3dof n ARG 15 Cb 0.91 -2.04 -0.11 0.00 -1.02 0.00 0.00 32.46 30.20 3dof n ARG 15 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3dof s GLU 16 N -2.62 3.89 -0.08 5.56 2.12 -1.24 -1.86 118.70 124.47 3dof s GLU 16 Ca 0.49 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.47 3dof s GLU 16 Cb 0.37 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 3dof s GLU 16 CO 0.14 -0.21 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.03 3dof s LEU 17 N 1.75 2.88 -0.38 2.70 1.02 -0.32 -4.87 118.68 121.47 3dof s LEU 17 Ca 0.07 -0.18 -0.14 0.00 0.02 0.00 0.00 54.13 53.89 3dof s LEU 17 Cb -0.16 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.43 3dof s LEU 17 CO 0.11 0.29 0.29 -0.60 0.02 0.00 0.00 176.35 176.45 3dof s ARG 18 N -0.37 3.22 -0.20 1.70 6.06 -1.26 0.10 118.95 128.19 3dof s ARG 18 Ca 0.04 -0.83 -0.03 0.00 -2.50 0.00 0.00 55.73 52.41 3dof s ARG 18 Cb -0.12 -3.90 -0.01 0.00 0.06 0.00 0.00 34.95 30.97 3dof s ARG 18 CO 0.02 -0.62 -0.05 -0.51 -2.50 0.00 0.00 175.30 171.64 3dof s LEU 19 N 1.74 2.92 -0.24 -0.88 1.43 0.33 -0.30 118.68 123.68 3dof s LEU 19 Ca 0.06 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3dof s LEU 19 Cb -0.18 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3dof s LEU 19 CO 0.10 0.02 0.06 -0.22 0.23 0.00 0.00 176.35 176.54 3dof s LEU 20 N 1.25 3.44 -0.30 1.79 2.96 -0.49 0.18 118.68 127.51 3dof s LEU 20 Ca 0.03 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 3dof s LEU 20 Cb -0.14 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3dof s LEU 20 CO -0.02 -0.00 0.14 -0.32 -1.32 0.00 0.00 176.35 174.84 3dof s MET 21 N 1.41 3.38 0.26 1.98 -2.45 0.69 -0.46 119.30 124.11 3dof s MET 21 Ca 0.05 -0.68 0.02 0.00 -1.25 0.00 0.00 55.69 53.83 3dof s MET 21 Cb -0.15 -3.54 -0.05 0.00 1.25 0.00 0.00 34.83 32.34 3dof s MET 21 CO 0.03 -0.38 0.06 -0.51 1.05 0.00 0.00 175.02 175.27 3dof s LEU 22 N 1.62 1.90 0.00 4.11 1.43 0.20 -3.09 118.68 124.85 3dof s LEU 22 Ca 0.05 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 3dof s LEU 22 Cb -0.17 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.92 3dof s LEU 22 CO 0.06 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.60 3dof n GLY 23 N -0.48 4.19 3.48 -3.19 0.00 -1.26 -1.08 105.19 106.84 3dof n GLY 23 Ca -0.02 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 3dof n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dof n LEU 24 N 0.00 1.02 -4.54 0.99 4.32 -1.26 -4.39 117.00 113.14 3dof n LEU 24 Ca 0.00 0.55 -0.36 0.00 -0.02 0.00 0.00 56.01 56.19 3dof n LEU 24 Cb 0.00 -1.24 0.08 0.00 -1.62 0.00 0.00 43.42 40.64 3dof n LEU 24 CO 0.00 -3.05 0.29 -0.90 -1.22 0.00 0.00 177.39 172.51 3dof n ASP 25 N -0.70 -0.43 0.00 -1.43 5.75 -1.09 -2.75 116.55 115.89 3dof n ASP 25 Ca 0.10 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.48 3dof n ASP 25 Cb 0.51 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.28 3dof n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3dof n ASN 26 N -1.13 0.00 -0.32 -1.12 5.15 -1.26 -4.84 115.26 111.74 3dof n ASN 26 Ca 0.11 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.26 3dof n ASN 26 Cb 0.50 -0.15 0.36 0.00 -0.53 0.00 0.00 39.78 39.95 3dof n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dof h ALA 27 N 0.00 1.59 0.00 5.20 0.00 -1.85 -3.45 119.26 120.75 3dof h ALA 27 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dof h ALA 27 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dof h ALA 27 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.26 3dof n GLY 28 N -1.33 1.89 0.39 0.00 0.00 -1.26 -4.34 105.19 100.55 3dof n GLY 28 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 3dof n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dof h LYS 29 N 0.00 -0.91 0.00 1.61 1.57 -1.92 -1.06 116.57 115.86 3dof h LYS 29 Ca 0.00 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3dof h LYS 29 Cb 0.00 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3dof h LYS 29 CO 0.00 -0.61 -0.18 1.15 -0.57 0.00 0.00 179.45 179.24 3dof h THR 30 N -0.95 1.11 -0.77 -0.16 2.02 -1.97 -1.84 112.91 110.36 3dof h THR 30 Ca -0.09 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 3dof h THR 30 Cb 0.74 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 3dof h THR 30 CO 0.14 0.18 0.30 0.74 0.37 0.00 0.00 175.52 177.25 3dof h THR 31 N 0.00 1.26 0.47 3.16 2.02 -1.90 -2.06 112.91 115.86 3dof h THR 31 Ca -0.00 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 3dof h THR 31 Cb 0.32 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3dof h THR 31 CO 0.02 0.33 -0.23 0.40 0.37 0.00 0.00 175.52 176.42 3dof h ILE 32 N 1.12 0.46 -0.51 3.11 2.04 -0.37 -0.41 117.51 122.94 3dof h ILE 32 Ca 0.26 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.82 3dof h ILE 32 Cb 0.22 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 36.81 3dof h ILE 32 CO -0.02 0.06 -0.36 -0.07 0.00 0.00 0.00 178.15 177.76 3dof h LEU 33 N -0.89 -1.21 0.46 1.44 3.38 -1.45 -1.47 115.31 115.56 3dof h LEU 33 Ca -0.06 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3dof h LEU 33 Cb 0.58 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3dof h LEU 33 CO 0.11 -0.32 -0.28 0.11 0.09 0.00 0.00 178.44 178.14 3dof h LYS 34 N -0.22 -0.68 -1.24 1.13 1.79 -1.41 -2.09 116.57 113.86 3dof h LYS 34 Ca 0.20 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3dof h LYS 34 Cb 0.55 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 3dof h LYS 34 CO -0.63 -0.45 0.00 1.17 -1.08 0.00 0.00 179.45 178.46 3dof n LYS 35 N -5.42 0.78 -0.02 3.15 0.00 -0.16 -0.88 118.16 115.61 3dof n LYS 35 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.17 3dof n LYS 35 Cb 0.32 -1.11 -0.01 0.00 0.00 0.00 0.00 35.03 34.22 3dof n LYS 35 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3dof n PHE 36 N 0.63 0.00 0.94 5.64 7.35 -0.60 -4.59 117.46 126.84 3dof n PHE 36 Ca 0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.79 3dof n PHE 36 Cb 0.39 -0.12 0.50 0.00 0.35 0.00 0.00 39.48 40.60 3dof n PHE 36 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3dof n ASN 37 N -2.98 0.00 -0.16 -2.13 3.02 -1.07 -4.86 115.26 107.09 3dof n ASN 37 Ca -0.06 -0.04 -0.01 0.00 -0.03 0.00 0.00 54.58 54.44 3dof n ASN 37 Cb 0.55 -0.26 -0.00 0.00 -0.61 0.00 0.00 39.78 39.45 3dof n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dof n GLY 38 N 0.36 0.36 3.90 7.41 0.00 -1.04 -5.06 105.19 111.12 3dof n GLY 38 Ca 0.10 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 3dof n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dof s GLU 39 N -3.52 2.06 -0.22 1.61 2.02 -0.06 -4.99 118.70 115.59 3dof s GLU 39 Ca 0.00 0.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.83 3dof s GLU 39 Cb 0.00 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.27 3dof s GLU 39 CO 0.00 -1.53 1.03 -0.51 0.02 0.00 0.00 175.26 174.27 3dof s ASP 40 N -4.56 7.10 0.19 -0.19 -0.00 -1.26 -4.36 116.67 113.60 3dof s ASP 40 Ca 0.62 1.38 0.25 0.00 -0.00 0.00 0.00 52.55 54.80 3dof s ASP 40 Cb -0.11 -2.54 0.63 0.00 -0.00 0.00 0.00 42.92 40.90 3dof s ASP 40 CO 0.49 -0.66 1.62 0.16 -0.00 0.00 0.00 175.17 176.78 3dof h ILE 41 N 5.43 0.00 0.00 0.77 3.07 -1.93 -3.39 117.51 121.46 3dof h ILE 41 Ca -0.20 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.70 3dof h ILE 41 Cb 1.07 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 3dof h ILE 41 CO 0.97 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 177.17 3dof n ASP 42 N -2.27 1.89 0.00 2.16 5.75 -1.26 -2.99 116.55 119.84 3dof n ASP 42 Ca 0.05 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 3dof n ASP 42 Cb 0.44 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3dof n ASP 42 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3dof n THR 43 N 0.70 0.00 -2.10 2.12 5.66 -1.26 -5.10 114.28 114.29 3dof n THR 43 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 3dof n THR 43 Cb 0.31 0.21 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 3dof n THR 43 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3dof s ILE 44 N 0.00 3.71 -0.01 1.09 1.01 -1.16 -5.01 121.20 120.83 3dof s ILE 44 Ca 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 60.65 61.46 3dof s ILE 44 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3dof s ILE 44 CO 0.00 -0.19 0.15 -0.55 0.00 0.00 0.00 174.94 174.35 3dof s SER 45 N 3.71 6.14 -0.02 3.58 0.15 -1.26 -5.05 113.70 120.95 3dof s SER 45 Ca 0.71 0.28 -0.38 0.00 0.70 0.00 0.00 55.95 57.26 3dof s SER 45 Cb -0.28 -1.88 -0.17 0.00 -1.71 0.00 0.00 66.02 61.99 3dof s SER 45 CO 0.28 0.27 1.42 -0.81 1.20 0.00 0.00 173.24 175.60 3dof n PRO 46 N 1.03 1.03 -2.65 5.44 -0.04 -1.26 -4.88 135.00 133.66 3dof n PRO 46 Ca -0.12 0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 3dof n PRO 46 Cb 0.53 -2.01 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 3dof n PRO 46 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dof s THR 47 N 1.26 4.70 -0.45 0.52 -4.23 -1.26 -4.92 115.64 111.27 3dof s THR 47 Ca 0.89 1.95 0.22 0.00 -1.18 0.00 0.00 61.69 63.56 3dof s THR 47 Cb -1.02 -4.25 -0.26 0.00 1.34 0.00 0.00 72.50 68.31 3dof s THR 47 CO 0.53 0.11 0.71 0.18 -0.54 0.00 0.00 174.62 175.62 3dof n LEU 48 N 4.19 0.45 0.00 4.79 4.77 -1.26 -4.25 117.00 125.69 3dof n LEU 48 Ca 0.07 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3dof n LEU 48 Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3dof n LEU 48 CO 0.53 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3dof n GLY 49 N 1.35 1.57 3.56 -0.72 0.00 -1.26 -4.75 105.19 104.94 3dof n GLY 49 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3dof n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dof s PHE 50 N 2.82 -0.71 -0.11 1.61 -0.12 -1.26 -0.51 117.98 119.69 3dof s PHE 50 Ca 0.00 1.50 -0.02 0.00 -0.05 0.00 0.00 56.93 58.36 3dof s PHE 50 Cb 0.00 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 3dof s PHE 50 CO 0.00 -0.48 -0.02 -0.80 -0.05 0.00 0.00 175.22 173.87 3dof s ASN 51 N -0.37 4.97 -0.23 1.98 0.01 0.06 -4.94 114.94 116.42 3dof s ASN 51 Ca -0.05 0.00 -0.03 0.00 -0.71 0.00 0.00 52.86 52.07 3dof s ASN 51 Cb -0.03 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 40.08 3dof s ASN 51 CO 0.05 0.28 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.24 3dof s ILE 52 N -0.32 3.17 -0.48 0.60 1.01 -1.26 -0.68 121.20 123.24 3dof s ILE 52 Ca 0.06 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3dof s ILE 52 Cb -0.12 -2.49 0.12 0.00 0.01 0.00 0.00 42.46 39.98 3dof s ILE 52 CO 0.02 0.35 0.22 -0.54 0.00 0.00 0.00 174.94 174.99 3dof s LYS 53 N 1.42 1.90 0.12 2.79 -0.14 -0.62 -4.98 119.74 120.24 3dof s LYS 53 Ca 0.04 -2.37 -0.31 0.00 -1.36 0.00 0.00 55.97 51.97 3dof s LYS 53 Cb -0.15 -3.35 -0.09 0.00 -1.68 0.00 0.00 37.83 32.56 3dof s LYS 53 CO -0.04 -1.07 1.64 -0.08 -0.76 0.00 0.00 175.35 175.04 3dof s THR 54 N 0.13 2.76 -0.23 2.17 -1.32 -1.26 -3.64 115.64 114.24 3dof s THR 54 Ca 0.15 0.40 -0.18 0.00 -1.21 0.00 0.00 61.69 60.85 3dof s THR 54 Cb -0.23 -3.25 0.06 0.00 -1.51 0.00 0.00 72.50 67.57 3dof s THR 54 CO -0.03 0.01 0.58 -0.22 -2.21 0.00 0.00 174.62 172.76 3dof s LEU 55 N 1.95 -0.38 0.01 9.08 2.96 -1.03 -4.99 118.68 126.29 3dof s LEU 55 Ca 0.73 1.21 -0.05 0.00 -0.22 0.00 0.00 54.13 55.80 3dof s LEU 55 Cb -0.43 1.99 -0.05 0.00 0.50 0.00 0.00 46.19 48.21 3dof s LEU 55 CO 0.32 -0.21 0.25 -0.70 -1.32 0.00 0.00 176.35 174.69 3dof s GLU 56 N 0.79 3.54 -0.29 1.98 2.12 -1.26 0.72 118.70 126.30 3dof s GLU 56 Ca -0.04 -0.14 -0.16 0.00 0.36 0.00 0.00 54.97 54.99 3dof s GLU 56 Cb -0.05 -3.07 0.14 0.00 0.26 0.00 0.00 34.13 31.41 3dof s GLU 56 CO -0.06 0.65 0.94 -1.58 -0.54 0.00 0.00 175.26 174.67 3dof s HIS 57 N -1.32 -0.65 -1.52 5.30 2.46 -0.24 -4.97 115.29 114.34 3dof s HIS 57 Ca 0.28 1.27 -0.12 0.00 0.47 0.00 0.00 55.06 56.95 3dof s HIS 57 Cb -0.13 0.39 0.08 0.00 -0.13 0.00 0.00 32.58 32.79 3dof s HIS 57 CO 0.17 -0.32 0.94 0.54 -2.47 0.00 0.00 174.74 173.60 3dof n ARG 58 N 3.94 -5.30 0.00 2.88 1.74 -1.26 -1.79 116.66 116.87 3dof n ARG 58 Ca -0.18 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3dof n ARG 58 Cb 0.57 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 3dof n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dof n GLY 59 N -1.67 2.82 3.87 -0.13 0.00 -1.26 -5.01 105.19 103.81 3dof n GLY 59 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3dof n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dof s PHE 60 N -1.93 3.42 -0.16 1.61 0.40 -0.74 -4.95 117.98 115.63 3dof s PHE 60 Ca 0.00 0.91 -0.04 0.00 -0.60 0.00 0.00 56.93 57.20 3dof s PHE 60 Cb 0.00 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 3dof s PHE 60 CO 0.00 0.22 -0.02 -1.59 0.70 0.00 0.00 175.22 174.53 3dof s LYS 61 N -2.95 3.71 -0.29 0.44 -2.85 -0.78 -1.08 119.74 115.94 3dof s LYS 61 Ca 0.48 -0.48 -0.02 0.00 -1.00 0.00 0.00 55.97 54.95 3dof s LYS 61 Cb -0.11 -2.96 0.04 0.00 -2.06 0.00 0.00 37.83 32.74 3dof s LYS 61 CO 0.22 0.26 -0.01 -0.51 0.10 0.00 0.00 175.35 175.41 3dof s LEU 62 N 0.32 3.76 -0.73 2.77 1.43 0.22 -1.17 118.68 125.28 3dof s LEU 62 Ca -0.02 -1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 51.67 3dof s LEU 62 Cb -0.14 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.45 3dof s LEU 62 CO 0.02 -0.23 1.05 0.20 0.23 0.00 0.00 176.35 177.62 3dof s ASN 63 N 1.27 6.25 -0.27 2.29 0.01 0.12 -2.47 114.94 122.13 3dof s ASN 63 Ca -0.04 -1.10 -0.11 0.00 -0.71 0.00 0.00 52.86 50.91 3dof s ASN 63 Cb -0.19 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 3dof s ASN 63 CO -0.02 -1.44 0.17 -0.63 -1.51 0.00 0.00 177.10 173.67 3dof s ILE 64 N 4.13 5.20 -0.24 0.60 1.01 -1.24 -0.51 121.20 130.15 3dof s ILE 64 Ca 0.26 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.97 3dof s ILE 64 Cb -0.13 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 3dof s ILE 64 CO 0.07 0.27 0.08 0.26 0.00 0.00 0.00 174.94 175.62 3dof s TRP 65 N 1.68 3.12 -0.28 3.97 0.52 0.13 -1.59 118.94 126.49 3dof s TRP 65 Ca 0.07 -0.28 -0.06 0.00 0.02 0.00 0.00 56.10 55.86 3dof s TRP 65 Cb -0.16 -2.21 0.01 0.00 -1.15 0.00 0.00 33.47 29.96 3dof s TRP 65 CO 0.10 -0.24 0.05 0.34 0.02 0.00 0.00 176.95 177.22 3dof s ASP 66 N 1.37 4.95 -0.10 2.95 2.15 0.15 -0.23 116.67 127.90 3dof s ASP 66 Ca 0.05 -0.70 -0.03 0.00 0.43 0.00 0.00 52.55 52.30 3dof s ASP 66 Cb -0.15 -1.84 -0.03 0.00 -0.30 0.00 0.00 42.92 40.60 3dof s ASP 66 CO 0.04 -0.17 0.02 -0.69 -0.17 0.00 0.00 175.17 174.21 3dof s VAL 67 N 1.47 4.49 0.14 1.11 1.01 -1.18 -0.76 120.40 126.67 3dof s VAL 67 Ca 0.02 -0.18 -0.35 0.00 0.00 0.00 0.00 61.98 61.48 3dof s VAL 67 Cb -0.17 -2.91 -0.15 0.00 0.00 0.00 0.00 36.38 33.15 3dof s VAL 67 CO 0.01 0.59 1.45 0.61 0.00 0.00 0.00 175.10 177.76 3dof n GLY 68 N 2.31 0.79 0.77 4.51 0.00 0.33 -4.84 105.19 109.07 3dof n GLY 68 Ca -0.19 0.66 0.12 0.00 0.00 0.00 0.00 46.02 46.61 3dof n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dof n GLY 69 N 2.92 0.71 3.72 -0.02 0.00 -1.26 -4.65 105.19 106.61 3dof n GLY 69 Ca 0.17 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3dof n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dof n GLN 70 N 0.81 2.32 -0.31 1.61 7.27 -1.26 -2.67 117.38 125.15 3dof n GLN 70 Ca 0.17 0.81 0.21 0.00 0.07 0.00 0.00 57.00 58.27 3dof n GLN 70 Cb 0.47 -2.45 0.50 0.00 2.41 0.00 0.00 30.24 31.17 3dof n GLN 70 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3dof h LYS 71 N 2.84 0.41 -0.00 3.69 3.64 -2.00 0.31 116.57 125.45 3dof h LYS 71 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3dof h LYS 71 Cb 1.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3dof h LYS 71 CO 0.64 0.27 -0.02 -1.13 -2.27 0.00 0.00 179.45 176.94 3dof n SER 72 N -4.60 0.21 -0.00 4.20 3.41 -1.26 -3.47 113.62 112.10 3dof n SER 72 Ca 0.24 -0.69 0.06 0.00 -0.26 0.00 0.00 58.87 58.23 3dof n SER 72 Cb 0.82 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.59 3dof n SER 72 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dof n LEU 73 N -0.99 0.61 0.24 1.04 4.77 0.11 -4.62 117.00 118.16 3dof n LEU 73 Ca 0.19 -0.48 0.16 0.00 -0.03 0.00 0.00 56.01 55.85 3dof n LEU 73 Cb 0.20 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.97 3dof n LEU 73 CO 0.21 0.15 0.97 0.03 -1.33 0.00 0.00 177.39 177.42 3dof h ARG 74 N 0.00 0.00 -0.38 3.23 3.08 -1.55 -2.57 114.38 116.19 3dof h ARG 74 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3dof h ARG 74 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3dof h ARG 74 CO 0.00 0.00 -0.24 0.77 -1.07 0.00 0.00 179.97 179.43 3dof h SER 75 N 0.00 0.78 -0.10 7.04 0.02 -1.82 -3.03 113.55 116.45 3dof h SER 75 Ca 0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3dof h SER 75 Cb 0.42 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3dof h SER 75 CO 0.00 0.99 0.00 -1.22 -1.14 0.00 0.00 176.83 175.46 3dof n TYR 76 N -4.11 0.12 -0.16 3.45 4.02 -0.97 -4.07 117.16 115.44 3dof n TYR 76 Ca -0.00 -0.06 0.01 0.00 -0.01 0.00 0.00 57.90 57.83 3dof n TYR 76 Cb 0.44 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 40.03 3dof n TYR 76 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 176.86 174.36 3dof h TRP 77 N 1.46 0.85 0.00 -0.72 4.06 -1.54 -2.90 115.95 117.15 3dof h TRP 77 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3dof h TRP 77 Cb 0.32 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 3dof h TRP 77 CO 0.06 0.56 0.00 2.89 -3.56 0.00 0.00 178.44 178.39 3dof n ARG 78 N -4.41 0.95 0.00 0.49 1.85 -1.26 -2.48 116.66 111.81 3dof n ARG 78 Ca 0.07 0.00 0.15 0.00 -1.00 0.00 0.00 57.85 57.06 3dof n ARG 78 Cb 0.07 -1.16 0.85 0.00 -1.05 0.00 0.00 32.46 31.17 3dof n ARG 78 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3dof n ASN 79 N -0.66 0.00 0.00 2.89 4.13 -1.10 -3.51 115.26 117.02 3dof n ASN 79 Ca 0.07 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.57 3dof n ASN 79 Cb 0.03 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 3dof n ASN 79 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3dof n TYR 80 N -1.06 0.00 0.09 3.10 4.01 -1.04 -4.68 117.16 117.59 3dof n TYR 80 Ca 0.21 -0.11 -0.01 0.00 -0.16 0.00 0.00 57.90 57.82 3dof n TYR 80 Cb 0.13 -0.01 0.25 0.00 -0.31 0.00 0.00 39.34 39.40 3dof n TYR 80 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 3dof h PHE 81 N 0.00 0.30 -2.20 -0.72 -1.00 -1.69 -3.44 116.94 108.20 3dof h PHE 81 Ca 0.00 -0.07 -0.59 0.00 2.81 0.00 0.00 57.97 60.12 3dof h PHE 81 Cb 0.44 -0.07 0.04 0.00 3.61 0.00 0.00 35.95 39.97 3dof h PHE 81 CO 0.00 0.58 0.94 -1.91 -1.61 0.00 0.00 178.31 176.31 3dof n GLU 82 N -4.08 2.22 -1.73 1.51 4.07 -1.26 -2.65 120.64 118.72 3dof n GLU 82 Ca -0.01 0.80 -0.14 0.00 -0.06 0.00 0.00 57.16 57.75 3dof n GLU 82 Cb 0.43 -2.61 -0.04 0.00 -0.06 0.00 0.00 31.44 29.16 3dof n GLU 82 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3dof n SER 83 N 4.84 -4.58 -4.67 4.31 2.88 -1.26 -4.97 113.62 110.18 3dof n SER 83 Ca 0.19 0.22 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 3dof n SER 83 Cb 0.30 -3.48 -0.03 0.00 -0.75 0.00 0.00 64.21 60.26 3dof n SER 83 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3dof s THR 84 N -2.59 3.91 -0.00 2.46 2.01 -1.08 -4.68 115.64 115.66 3dof s THR 84 Ca 0.00 1.15 0.03 0.00 0.31 0.00 0.00 61.69 63.19 3dof s THR 84 Cb 0.00 -3.74 -0.25 0.00 0.01 0.00 0.00 72.50 68.52 3dof s THR 84 CO 0.00 -0.08 0.83 0.44 -0.69 0.00 0.00 174.62 175.13 3dof h ASP 85 N 8.57 0.20 -3.67 3.53 3.32 -1.03 -3.37 116.42 123.97 3dof h ASP 85 Ca -0.34 -0.31 -0.14 0.00 0.02 0.00 0.00 57.03 56.27 3dof h ASP 85 Cb 1.15 -0.06 -0.26 0.00 0.22 0.00 0.00 39.33 40.38 3dof h ASP 85 CO 0.95 1.26 -0.33 -0.83 -1.72 0.00 0.00 179.24 178.57 3dof s GLY 86 N -5.01 -0.26 -0.29 2.75 0.00 -0.89 -3.20 107.32 100.42 3dof s GLY 86 Ca -0.07 1.09 -0.07 0.00 0.00 0.00 0.00 44.72 45.68 3dof s GLY 86 CO 0.83 1.06 0.08 -2.27 0.00 0.00 0.00 173.10 172.80 3dof s LEU 87 N 0.56 3.81 -0.46 0.66 2.96 -0.13 -1.40 118.68 124.68 3dof s LEU 87 Ca -0.03 -0.68 -0.18 0.00 -0.22 0.00 0.00 54.13 53.02 3dof s LEU 87 Cb -0.05 -1.88 0.04 0.00 0.50 0.00 0.00 46.19 44.81 3dof s LEU 87 CO -0.03 -0.18 0.49 -0.63 -1.32 0.00 0.00 176.35 174.68 3dof s ILE 88 N 1.50 5.04 -0.33 6.68 1.01 0.39 -1.33 121.20 134.17 3dof s ILE 88 Ca 0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 3dof s ILE 88 Cb -0.17 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 3dof s ILE 88 CO 0.02 -0.57 0.40 0.86 0.00 0.00 0.00 174.94 175.65 3dof s TRP 89 N 2.21 3.21 -0.20 3.97 -0.11 0.11 -0.63 118.94 127.50 3dof s TRP 89 Ca 0.12 0.08 -0.08 0.00 1.22 0.00 0.00 56.10 57.44 3dof s TRP 89 Cb -0.19 -2.72 -0.04 0.00 -1.50 0.00 0.00 33.47 29.02 3dof s TRP 89 CO 0.12 -0.43 0.09 0.08 -4.62 0.00 0.00 176.95 172.19 3dof s VAL 90 N 2.11 4.93 -0.11 5.86 1.01 -0.24 0.54 120.40 134.52 3dof s VAL 90 Ca 0.14 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.16 3dof s VAL 90 Cb -0.16 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3dof s VAL 90 CO 0.12 0.43 -0.16 -0.69 0.00 0.00 0.00 175.10 174.79 3dof s VAL 91 N 0.59 2.79 -0.92 2.92 1.01 0.26 -4.23 120.40 122.81 3dof s VAL 91 Ca 0.05 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 3dof s VAL 91 Cb -0.13 -2.13 0.06 0.00 0.00 0.00 0.00 36.38 34.18 3dof s VAL 91 CO 0.01 0.54 1.33 -0.62 0.00 0.00 0.00 175.10 176.37 3dof s ASP 92 N 0.15 6.42 0.00 3.32 3.68 -1.26 -0.30 116.67 128.68 3dof s ASP 92 Ca -0.09 -1.29 0.16 0.00 2.13 0.00 0.00 52.55 53.46 3dof s ASP 92 Cb -0.15 -2.53 0.93 0.00 -1.45 0.00 0.00 42.92 39.72 3dof s ASP 92 CO 0.05 -1.51 1.35 -1.54 0.13 0.00 0.00 175.17 173.65 3dof n SER 93 N 8.58 0.00 -0.08 -0.34 3.41 -1.01 -2.56 113.62 121.62 3dof n SER 93 Ca 0.23 -0.52 -0.20 0.00 -0.26 0.00 0.00 58.87 58.12 3dof n SER 93 Cb 0.50 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 3dof n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dof n ALA 94 N -0.99 1.18 -2.35 7.33 0.00 -1.26 0.43 120.51 124.85 3dof n ALA 94 Ca 0.12 -0.89 -0.36 0.00 0.00 0.00 0.00 53.44 52.31 3dof n ALA 94 Cb 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 3dof n ALA 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dof s ASP 95 N -6.81 6.02 0.36 0.00 2.15 -1.06 -4.72 116.67 112.62 3dof s ASP 95 Ca -0.30 -1.95 0.26 0.00 0.43 0.00 0.00 52.55 50.98 3dof s ASP 95 Cb 0.08 -2.58 0.73 0.00 -0.30 0.00 0.00 42.92 40.85 3dof s ASP 95 CO 0.65 -2.02 1.74 0.08 -0.17 0.00 0.00 175.17 175.45 3dof h ARG 96 N 8.82 0.00 -0.40 4.34 0.11 -1.83 -3.21 114.38 122.21 3dof h ARG 96 Ca 0.32 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.30 3dof h ARG 96 Cb 0.92 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.98 3dof h ARG 96 CO 1.35 0.00 -0.14 0.37 0.10 0.00 0.00 179.97 181.65 3dof h GLN 97 N 0.00 0.72 -0.65 0.08 4.15 -1.97 -2.81 115.11 114.64 3dof h GLN 97 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3dof h GLN 97 Cb 0.76 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.40 3dof h GLN 97 CO 0.00 0.83 0.00 0.54 -1.93 0.00 0.00 178.83 178.27 3dof n ARG 98 N -4.15 2.76 0.02 1.69 1.74 -1.21 -4.28 116.66 113.23 3dof n ARG 98 Ca 0.01 -2.40 -0.02 0.00 -0.77 0.00 0.00 57.85 54.68 3dof n ARG 98 Cb 0.38 -1.59 0.25 0.00 -1.02 0.00 0.00 32.46 30.47 3dof n ARG 98 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3dof h MET 99 N 3.76 0.46 -0.65 5.56 4.05 -1.54 -1.40 114.93 125.17 3dof h MET 99 Ca 0.00 -0.14 0.14 0.00 -0.28 0.00 0.00 59.70 59.41 3dof h MET 99 Cb 0.99 -0.04 -0.12 0.00 -0.80 0.00 0.00 31.60 31.64 3dof h MET 99 CO 0.06 0.62 -0.06 0.37 0.23 0.00 0.00 176.91 178.13 3dof h GLN 100 N 0.42 0.06 -0.18 0.39 5.75 -1.77 -2.08 115.11 117.71 3dof h GLN 100 Ca 0.07 -0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 3dof h GLN 100 Cb 0.55 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 3dof h GLN 100 CO 0.04 0.04 -0.29 -0.44 -2.65 0.00 0.00 178.83 175.53 3dof h ASP 101 N 0.07 0.34 -0.49 -0.69 3.32 -1.58 -3.05 116.42 114.34 3dof h ASP 101 Ca 0.33 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3dof h ASP 101 Cb 0.54 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3dof h ASP 101 CO -0.60 0.63 0.14 0.00 -1.72 0.00 0.00 179.24 177.69 3dof h GLN 103 N 0.80 0.40 -0.35 0.00 -0.00 -1.37 -2.70 115.11 111.90 3dof h GLN 103 Ca 0.18 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.65 58.73 3dof h GLN 103 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.68 3dof h GLN 103 CO -0.00 0.46 0.15 0.07 0.00 0.00 0.00 178.83 179.51 3dof h ARG 104 N 0.27 0.51 -0.10 1.69 0.11 -1.52 -1.15 114.38 114.19 3dof h ARG 104 Ca 0.09 -0.08 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 3dof h ARG 104 Cb 0.22 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 3dof h ARG 104 CO -0.00 0.48 -0.56 1.49 0.10 0.00 0.00 179.97 181.47 3dof h GLU 105 N 0.42 0.32 -0.10 0.08 4.57 -1.55 -2.28 114.58 116.04 3dof h GLU 105 Ca 0.12 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.03 3dof h GLU 105 Cb 0.15 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3dof h GLU 105 CO -0.01 0.80 -0.17 1.25 -1.18 0.00 0.00 179.01 179.70 3dof h LEU 106 N 0.25 0.32 -1.99 1.64 6.46 -1.37 -2.70 115.31 117.92 3dof h LEU 106 Ca 0.00 -0.54 -0.02 0.00 -0.12 0.00 0.00 57.88 57.20 3dof h LEU 106 Cb 1.07 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.90 3dof h LEU 106 CO 0.09 0.80 -0.10 -0.61 -0.62 0.00 0.00 178.44 178.00 3dof h GLN 107 N -0.14 0.00 0.00 1.25 5.75 -1.10 -0.12 115.11 120.75 3dof h GLN 107 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3dof h GLN 107 Cb 0.73 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.28 3dof h GLN 107 CO 0.04 0.10 -0.23 0.66 -2.65 0.00 0.00 178.83 176.75 3dof h SER 108 N 0.00 0.00 0.22 -0.69 4.64 -1.40 -3.33 113.55 112.98 3dof h SER 108 Ca -0.00 -0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3dof h SER 108 Cb 0.29 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.41 3dof h SER 108 CO 0.01 0.00 -1.51 -0.07 -0.87 0.00 0.00 176.83 174.40 3dof h LEU 109 N 0.00 0.72 -2.94 5.97 3.38 -0.70 -3.34 115.31 118.39 3dof h LEU 109 Ca 0.00 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.04 3dof h LEU 109 Cb 0.98 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3dof h LEU 109 CO 0.00 1.71 -0.00 -0.07 0.09 0.00 0.00 178.44 180.17 3dof h LEU 110 N 0.06 0.00 -5.66 1.67 3.38 -1.44 -3.01 115.31 110.30 3dof h LEU 110 Ca -0.28 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.03 3dof h LEU 110 Cb 2.08 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 42.45 3dof h LEU 110 CO 0.22 0.00 -0.11 1.33 0.09 0.00 0.00 178.44 179.97 3dof n VAL 111 N -3.16 3.99 0.00 1.22 0.24 -1.25 -4.74 118.33 114.62 3dof n VAL 111 Ca -0.03 -5.70 0.00 0.00 -2.04 0.00 0.00 64.34 56.57 3dof n VAL 111 Cb 0.07 -1.50 -0.00 0.00 -1.47 0.00 0.00 33.84 30.94 3dof n VAL 111 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dof n GLU 112 N -0.09 3.05 0.00 7.34 -0.58 -1.14 -5.01 120.64 124.21 3dof n GLU 112 Ca 0.35 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 3dof n GLU 112 Cb 0.35 -0.78 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 3dof n GLU 112 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3dof n GLU 113 N -1.28 0.00 -0.00 3.49 2.13 -1.26 -4.32 120.64 119.39 3dof n GLU 113 Ca -0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 3dof n GLU 113 Cb 0.00 -3.00 -0.13 0.00 0.27 0.00 0.00 31.44 28.59 3dof n GLU 113 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3dof n ARG 114 N -1.65 0.27 -0.02 5.31 1.74 -1.26 -4.08 116.66 116.97 3dof n ARG 114 Ca 0.00 -0.08 0.03 0.00 -0.77 0.00 0.00 57.85 57.03 3dof n ARG 114 Cb 0.00 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 29.96 3dof n ARG 114 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dof n LEU 115 N -1.82 1.73 0.24 0.55 4.77 -1.26 -4.44 117.00 116.76 3dof n LEU 115 Ca 0.01 -1.20 0.16 0.00 -0.03 0.00 0.00 56.01 54.95 3dof n LEU 115 Cb 0.43 -0.03 0.71 0.00 -2.33 0.00 0.00 43.42 42.20 3dof n LEU 115 CO 0.44 0.38 1.14 0.00 -1.33 0.00 0.00 177.39 178.02 3dof h ALA 116 N 1.23 1.70 0.00 -1.18 0.00 -1.88 -1.88 119.26 117.25 3dof h ALA 116 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3dof h ALA 116 Cb 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3dof h ALA 116 CO 0.00 -0.55 -2.06 0.41 0.00 0.00 0.00 179.25 177.05 3dof n GLY 117 N -1.35 -0.96 3.74 0.00 0.00 -1.26 -4.91 105.19 100.45 3dof n GLY 117 Ca 0.02 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3dof n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dof s ALA 118 N -3.21 2.55 0.01 4.61 0.00 -0.71 -4.97 121.76 120.04 3dof s ALA 118 Ca -0.08 1.21 -0.20 0.00 0.00 0.00 0.00 51.96 52.88 3dof s ALA 118 Cb 0.12 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 3dof s ALA 118 CO 0.86 -1.42 0.59 0.99 0.00 0.00 0.00 175.76 176.77 3dof s THR 119 N -1.41 4.88 -0.35 0.00 2.01 -1.19 -4.61 115.64 114.97 3dof s THR 119 Ca 0.78 1.24 -0.16 0.00 0.31 0.00 0.00 61.69 63.85 3dof s THR 119 Cb -0.37 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 3dof s THR 119 CO 0.41 0.44 0.43 -0.22 -0.69 0.00 0.00 174.62 174.98 3dof s LEU 120 N -0.34 4.42 -0.19 4.42 2.96 0.72 -0.96 118.68 129.72 3dof s LEU 120 Ca 0.31 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 3dof s LEU 120 Cb -0.18 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 3dof s LEU 120 CO 0.17 -0.41 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.55 3dof s LEU 121 N 2.17 3.14 -0.23 -0.68 2.96 -0.44 -1.92 118.68 123.68 3dof s LEU 121 Ca 0.15 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.76 3dof s LEU 121 Cb -0.16 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3dof s LEU 121 CO 0.12 0.08 0.02 -0.63 -1.32 0.00 0.00 176.35 174.62 3dof s ILE 122 N 0.92 3.91 -0.48 6.68 1.01 -0.61 0.06 121.20 132.69 3dof s ILE 122 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 3dof s ILE 122 Cb -0.14 -2.80 0.09 0.00 0.01 0.00 0.00 42.46 39.62 3dof s ILE 122 CO 0.01 0.38 0.40 -0.36 0.00 0.00 0.00 174.94 175.38 3dof s PHE 123 N 1.48 3.27 -1.36 3.97 0.08 0.19 -1.48 117.98 124.13 3dof s PHE 123 Ca 0.06 -1.20 -0.15 0.00 0.12 0.00 0.00 56.93 55.76 3dof s PHE 123 Cb -0.15 -3.35 -0.00 0.00 -0.57 0.00 0.00 43.02 38.95 3dof s PHE 123 CO 0.01 -0.89 2.25 0.00 -0.10 0.00 0.00 175.22 176.49 3dof n ALA 124 N 5.15 5.39 -1.16 5.36 0.00 -0.43 0.90 120.51 135.71 3dof n ALA 124 Ca -0.12 -3.72 -0.30 0.00 0.00 0.00 0.00 53.44 49.30 3dof n ALA 124 Cb 0.42 -3.53 0.23 0.00 0.00 0.00 0.00 19.45 16.57 3dof n ALA 124 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3dof s ASN 125 N 3.38 1.28 -1.42 0.00 3.04 0.58 -2.10 114.94 119.70 3dof s ASN 125 Ca 0.51 0.65 -0.10 0.00 0.04 0.00 0.00 52.86 53.96 3dof s ASN 125 Cb 0.14 -0.92 0.04 0.00 -1.54 0.00 0.00 41.25 38.97 3dof s ASN 125 CO -0.05 -3.91 1.03 0.29 -3.04 0.00 0.00 177.10 171.42 3dof n LYS 126 N -4.62 -6.47 0.25 0.43 5.02 -1.00 -2.41 118.16 109.37 3dof n LYS 126 Ca 0.12 0.70 0.15 0.00 -2.02 0.00 0.00 58.31 57.27 3dof n LYS 126 Cb 0.59 -5.63 0.43 0.00 -0.02 0.00 0.00 35.03 30.40 3dof n LYS 126 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3dof h GLN 127 N -2.29 0.00 0.00 1.97 1.08 -1.60 -2.99 115.11 111.27 3dof h GLN 127 Ca -0.58 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.60 3dof h GLN 127 Cb 1.37 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.80 3dof h GLN 127 CO 0.61 0.00 -0.08 0.38 -0.95 0.00 0.00 178.83 178.79 3dof h ASP 128 N 0.00 0.00 -3.67 1.46 2.03 -1.90 -3.45 116.42 110.89 3dof h ASP 128 Ca 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 3dof h ASP 128 Cb 0.75 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.25 3dof h ASP 128 CO 0.00 0.08 0.43 -0.76 -1.03 0.00 0.00 179.24 177.96 3dof s LEU 129 N -6.89 4.55 0.54 0.15 1.43 -1.13 -4.95 118.68 112.37 3dof s LEU 129 Ca -0.02 2.06 0.23 0.00 -1.03 0.00 0.00 54.13 55.37 3dof s LEU 129 Cb 0.12 -3.61 1.42 0.00 0.03 0.00 0.00 46.19 44.16 3dof s LEU 129 CO 0.55 -0.08 2.08 1.55 0.23 0.00 0.00 176.35 180.68 3dof h PRO 130 N 4.59 0.00 -0.07 1.29 0.13 -1.90 -1.85 132.00 134.19 3dof h PRO 130 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3dof h PRO 130 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3dof h PRO 130 CO 0.70 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.88 3dof n GLY 131 N -1.54 -0.17 3.69 1.56 0.00 -1.26 -4.92 105.19 102.54 3dof n GLY 131 Ca 0.03 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3dof n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dof s ALA 132 N -1.92 3.56 0.57 4.61 0.00 -0.70 -4.48 121.76 123.41 3dof s ALA 132 Ca 0.36 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 52.96 3dof s ALA 132 Cb 0.19 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 3dof s ALA 132 CO 0.30 -0.88 1.16 -0.51 0.00 0.00 0.00 175.76 175.83 3dof s LEU 133 N 2.35 3.69 0.27 0.00 1.43 0.17 -4.93 118.68 121.66 3dof s LEU 133 Ca 0.62 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 55.69 3dof s LEU 133 Cb -0.30 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.24 3dof s LEU 133 CO 0.25 -1.40 1.13 -0.94 0.23 0.00 0.00 176.35 175.62 3dof s SER 134 N -1.74 7.21 0.31 2.29 1.04 -1.26 -4.86 113.70 116.69 3dof s SER 134 Ca 0.74 2.29 0.06 0.00 0.48 0.00 0.00 55.95 59.53 3dof s SER 134 Cb -0.26 -2.63 0.85 0.00 0.10 0.00 0.00 66.02 64.08 3dof s SER 134 CO 0.30 -0.20 1.63 0.28 0.98 0.00 0.00 173.24 176.23 3dof h SER 135 N 3.99 0.05 -0.32 7.02 0.02 -1.96 0.57 113.55 122.91 3dof h SER 135 Ca -0.47 0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3dof h SER 135 Cb 1.21 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.01 3dof h SER 135 CO 0.68 -0.22 0.11 0.78 -1.14 0.00 0.00 176.83 177.04 3dof h ASN 136 N 0.17 0.52 1.12 3.07 2.35 -1.98 0.27 115.58 121.10 3dof h ASN 136 Ca 0.62 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 56.25 3dof h ASN 136 Cb 1.36 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 3dof h ASN 136 CO -0.70 0.52 -0.26 0.00 -1.65 0.00 0.00 177.43 175.33 3dof h ALA 137 N 1.56 0.95 0.00 -0.83 0.00 -0.28 -1.87 119.26 118.79 3dof h ALA 137 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3dof h ALA 137 Cb 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dof h ALA 137 CO -0.01 0.33 -0.40 0.82 0.00 0.00 0.00 179.25 179.99 3dof h ILE 138 N 0.00 0.05 0.07 0.00 2.04 -0.35 -2.98 117.51 116.35 3dof h ILE 138 Ca -0.00 -1.08 -0.21 0.00 1.00 0.00 0.00 64.86 64.57 3dof h ILE 138 Cb 0.89 1.85 0.02 0.00 -0.74 0.00 0.00 36.82 38.84 3dof h ILE 138 CO 0.03 0.03 -0.88 -0.09 0.00 0.00 0.00 178.15 177.24 3dof h ARG 139 N 0.00 0.46 -0.17 2.37 2.43 0.07 -3.27 114.38 116.28 3dof h ARG 139 Ca -0.00 -0.60 -0.17 0.00 -0.81 0.00 0.00 59.98 58.39 3dof h ARG 139 Cb 1.03 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3dof h ARG 139 CO 0.00 1.24 -0.61 1.05 -1.51 0.00 0.00 179.97 180.14 3dof h GLU 140 N -0.03 0.57 -7.34 0.20 4.11 -1.50 -1.94 114.58 108.65 3dof h GLU 140 Ca -0.13 -0.39 -0.49 0.00 0.07 0.00 0.00 59.36 58.41 3dof h GLU 140 Cb 1.60 0.06 0.13 0.00 0.50 0.00 0.00 28.75 31.04 3dof h GLU 140 CO 0.17 1.01 0.29 0.08 0.07 0.00 0.00 179.01 180.63 3dof s VAL 141 N -3.90 2.97 0.00 -1.06 1.01 -1.12 -2.92 120.40 115.38 3dof s VAL 141 Ca -0.08 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3dof s VAL 141 Cb 0.11 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3dof s VAL 141 CO 0.85 -0.41 0.00 0.18 0.00 0.00 0.00 175.10 175.72 3dof n LEU 142 N -3.67 0.00 -3.93 3.92 4.77 -1.26 -3.58 117.00 113.25 3dof n LEU 142 Ca 0.08 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.77 3dof n LEU 142 Cb 0.55 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3dof n LEU 142 CO 0.55 0.00 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.77 3dof n GLU 143 N -1.79 -2.54 0.23 3.23 1.02 -1.15 -4.85 120.64 114.79 3dof n GLU 143 Ca 0.00 0.37 -0.15 0.00 -0.02 0.00 0.00 57.16 57.36 3dof n GLU 143 Cb 0.00 -4.25 -0.08 0.00 -0.02 0.00 0.00 31.44 27.09 3dof n GLU 143 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3dof h LEU 144 N -1.90 -0.43-10.35 -4.62 3.38 -1.40 -3.42 115.31 96.57 3dof h LEU 144 Ca -0.65 0.01 -0.49 0.00 0.09 0.00 0.00 57.88 56.85 3dof h LEU 144 Cb 1.38 0.11 0.14 0.00 0.09 0.00 0.00 40.66 42.38 3dof h LEU 144 CO 0.60 -0.30 0.28 1.51 0.09 0.00 0.00 178.44 180.61 3dof s ASP 145 N -4.75 3.82 -0.65 -0.43 3.84 -1.26 -3.84 116.67 113.40 3dof s ASP 145 Ca -0.16 1.47 0.00 0.00 -0.00 0.00 0.00 52.55 53.87 3dof s ASP 145 Cb 0.04 -2.17 0.00 0.00 -1.38 0.00 0.00 42.92 39.41 3dof s ASP 145 CO 0.64 -2.41 0.00 -1.20 -0.00 0.00 0.00 175.17 172.19 3dof n SER 146 N -3.74 -3.07 -4.07 2.11 7.64 -1.26 -5.02 113.62 106.20 3dof n SER 146 Ca 0.07 0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.68 3dof n SER 146 Cb 0.55 -1.99 -0.14 0.00 -1.01 0.00 0.00 64.21 61.63 3dof n SER 146 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3dof s ILE 147 N -2.32 2.66 -0.34 0.44 -4.36 -1.25 -4.98 121.20 111.05 3dof s ILE 147 Ca 0.00 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 3dof s ILE 147 Cb 0.00 -2.82 0.15 0.00 1.25 0.00 0.00 42.46 41.03 3dof s ILE 147 CO 0.00 -0.51 1.05 0.54 0.24 0.00 0.00 174.94 176.25 3dof n ARG 148 N 4.42 1.43 -0.09 0.37 3.00 -1.26 -4.18 116.66 120.35 3dof n ARG 148 Ca -0.02 -0.62 -0.14 0.00 -0.01 0.00 0.00 57.85 57.06 3dof n ARG 148 Cb 0.42 -1.38 -0.05 0.00 0.00 0.00 0.00 32.46 31.45 3dof n ARG 148 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3dof n SER 149 N 0.15 1.88 -4.32 0.55 7.64 -1.26 -5.07 113.62 113.20 3dof n SER 149 Ca 0.10 0.46 -0.17 0.00 1.01 0.00 0.00 58.87 60.27 3dof n SER 149 Cb 0.64 -0.85 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 3dof n SER 149 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3dof s HIS 150 N -2.49 1.53 -0.12 1.43 3.76 -1.26 -5.02 115.29 113.12 3dof s HIS 150 Ca -0.26 -0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 53.51 3dof s HIS 150 Cb 0.06 -0.86 -0.01 0.00 1.11 0.00 0.00 32.58 32.88 3dof s HIS 150 CO 0.40 0.02 0.96 -1.01 -0.85 0.00 0.00 174.74 174.26 3dof s HIS 151 N -3.36 3.50 0.09 1.40 3.76 -1.26 -4.93 115.29 114.49 3dof s HIS 151 Ca 0.26 1.52 0.02 0.00 -0.15 0.00 0.00 55.06 56.70 3dof s HIS 151 Cb 0.05 -3.14 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 3dof s HIS 151 CO 0.07 -0.22 -0.06 1.67 -0.85 0.00 0.00 174.74 175.34 3dof s TRP 152 N 2.01 0.85 -0.10 1.40 1.48 -1.26 -0.20 118.94 123.12 3dof s TRP 152 Ca 0.46 -0.88 -0.09 0.00 -1.06 0.00 0.00 56.10 54.54 3dof s TRP 152 Cb -0.18 -0.50 0.03 0.00 -1.16 0.00 0.00 33.47 31.67 3dof s TRP 152 CO 0.17 -0.16 0.27 0.00 -4.06 0.00 0.00 176.95 173.17 3dof s ILE 154 N 0.37 5.12 -0.27 0.00 2.07 -1.26 -1.57 121.20 125.66 3dof s ILE 154 Ca -0.02 0.43 -0.01 0.00 -1.41 0.00 0.00 60.65 59.65 3dof s ILE 154 Cb -0.03 -3.64 0.13 0.00 0.13 0.00 0.00 42.46 39.05 3dof s ILE 154 CO -0.02 0.31 0.32 -1.58 -1.91 0.00 0.00 174.94 172.07 3dof s GLN 155 N -1.85 0.33 -0.00 3.50 2.00 -0.55 -4.96 119.66 118.14 3dof s GLN 155 Ca 0.32 0.07 -0.30 0.00 -2.00 0.00 0.00 55.36 53.45 3dof s GLN 155 Cb -0.14 -0.63 -0.05 0.00 0.80 0.00 0.00 33.01 32.99 3dof s GLN 155 CO 0.18 -0.91 1.31 0.20 -0.50 0.00 0.00 175.29 175.56 3dof s GLY 156 N 2.42 2.01 0.14 2.59 0.00 -1.26 -1.32 107.32 111.90 3dof s GLY 156 Ca 0.10 0.81 -0.05 0.00 0.00 0.00 0.00 44.72 45.58 3dof s GLY 156 CO -0.27 2.35 0.17 0.00 0.00 0.00 0.00 173.10 175.35 3dof s SER 158 N -3.00 3.57 0.44 0.00 0.15 -0.96 -2.10 113.70 111.80 3dof s SER 158 Ca 0.20 -0.96 0.24 0.00 0.70 0.00 0.00 55.95 56.13 3dof s SER 158 Cb 0.05 -1.32 0.60 0.00 -1.71 0.00 0.00 66.02 63.65 3dof s SER 158 CO 0.01 -0.14 1.70 0.00 1.20 0.00 0.00 173.24 176.00 3dof h ALA 159 N 7.93 0.95 0.07 5.45 0.00 -1.95 0.24 119.26 131.95 3dof h ALA 159 Ca -0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3dof h ALA 159 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3dof h ALA 159 CO 0.49 0.15 -0.03 0.28 0.00 0.00 0.00 179.25 180.13 3dof h VAL 160 N 0.00 1.20 0.00 0.00 2.07 -1.95 -3.26 116.25 114.31 3dof h VAL 160 Ca -0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3dof h VAL 160 Cb 0.92 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3dof h VAL 160 CO 0.02 0.26 -0.05 0.71 0.02 0.00 0.00 177.57 178.52 3dof h THR 161 N -0.59 0.00 -1.08 2.57 1.35 -2.00 -3.48 112.91 109.69 3dof h THR 161 Ca -0.01 -0.79 -0.13 0.00 -0.55 0.00 0.00 66.41 64.93 3dof h THR 161 Cb 0.50 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3dof h THR 161 CO 0.02 0.00 -0.17 0.61 -0.25 0.00 0.00 175.52 175.73 3dof n GLY 162 N 1.19 0.14 3.75 5.82 0.00 -0.05 -5.02 105.19 111.01 3dof n GLY 162 Ca 0.04 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 3dof n GLY 162 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dof s GLU 163 N -4.43 4.32 0.00 1.61 2.12 -0.48 -4.12 118.70 117.72 3dof s GLU 163 Ca 0.02 0.64 0.00 0.00 0.36 0.00 0.00 54.97 55.99 3dof s GLU 163 Cb -0.01 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.00 3dof s GLU 163 CO 0.02 0.27 0.00 0.09 -0.54 0.00 0.00 175.26 175.10 3dof n ASN 164 N 3.17 -3.81 0.01 -1.70 5.03 -1.26 -2.26 115.26 114.43 3dof n ASN 164 Ca -0.06 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.28 3dof n ASN 164 Cb 0.51 -2.00 0.04 0.00 -1.02 0.00 0.00 39.78 37.31 3dof n ASN 164 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3dof h LEU 165 N 0.00 0.64 0.13 3.41 3.38 -1.90 -3.28 115.31 117.69 3dof h LEU 165 Ca 0.00 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3dof h LEU 165 Cb 0.45 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3dof h LEU 165 CO 0.00 1.09 -0.06 0.25 0.09 0.00 0.00 178.44 179.81 3dof h LEU 166 N 0.42 -0.15 -1.81 1.67 5.85 -1.89 -3.05 115.31 116.35 3dof h LEU 166 Ca -0.00 -0.40 0.37 0.00 0.84 0.00 0.00 57.88 58.69 3dof h LEU 166 Cb 1.16 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3dof h LEU 166 CO 0.11 0.39 1.04 -0.65 -0.34 0.00 0.00 178.44 179.00 3dof h PRO 167 N -0.77 0.00 0.00 5.25 0.11 -1.98 0.28 132.00 134.90 3dof h PRO 167 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3dof h PRO 167 Cb 0.54 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 3dof h PRO 167 CO 0.03 0.00 -0.06 0.78 -0.21 0.00 0.00 178.00 178.54 3dof h GLY 168 N 0.00 0.00 1.17 -0.55 0.00 -1.61 -2.96 103.07 99.13 3dof h GLY 168 Ca 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.88 3dof h GLY 168 CO -0.01 0.00 0.14 -2.22 0.00 0.00 0.00 176.54 174.46 3dof h ILE 169 N -1.00 1.25 -0.82 2.60 1.08 -1.19 -0.66 117.51 118.77 3dof h ILE 169 Ca -0.02 -0.94 0.03 0.00 -0.39 0.00 0.00 64.86 63.54 3dof h ILE 169 Cb 0.91 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 35.22 3dof h ILE 169 CO -0.01 0.36 0.53 0.44 -0.69 0.00 0.00 178.15 178.78 3dof h ASP 170 N 0.97 0.89 -0.43 1.72 5.19 -0.62 -2.33 116.42 121.81 3dof h ASP 170 Ca 0.20 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.53 3dof h ASP 170 Cb 0.36 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3dof h ASP 170 CO 0.00 0.62 -0.04 -0.25 -3.12 0.00 0.00 179.24 176.45 3dof h TRP 171 N 1.04 0.87 -0.52 4.55 7.01 -1.28 -3.06 115.95 124.56 3dof h TRP 171 Ca 0.32 -0.17 0.08 0.00 2.11 0.00 0.00 58.89 61.23 3dof h TRP 171 Cb -0.02 -0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 26.76 3dof h TRP 171 CO -0.02 0.87 0.17 1.25 -2.79 0.00 0.00 178.44 177.91 3dof h LEU 172 N 0.62 0.14 -0.32 0.65 5.85 -0.61 -1.92 115.31 119.72 3dof h LEU 172 Ca 0.12 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3dof h LEU 172 Cb 0.55 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3dof h LEU 172 CO 0.03 0.10 0.13 -0.07 -0.34 0.00 0.00 178.44 178.29 3dof h LEU 173 N 0.33 0.44 -0.96 2.25 3.38 -1.50 0.52 115.31 119.77 3dof h LEU 173 Ca 0.26 -0.17 0.23 0.00 0.09 0.00 0.00 57.88 58.29 3dof h LEU 173 Cb 0.31 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 3dof h LEU 173 CO -0.28 0.49 0.53 0.44 0.09 0.00 0.00 178.44 179.70 3dof h ASP 174 N 0.36 0.57 0.04 -0.43 3.45 -1.27 0.51 116.42 119.65 3dof h ASP 174 Ca 0.11 0.14 -0.00 0.00 0.43 0.00 0.00 57.03 57.70 3dof h ASP 174 Cb 0.19 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3dof h ASP 174 CO -0.01 0.08 -0.02 -0.78 -1.57 0.00 0.00 179.24 176.94 3dof h ASP 175 N 0.53 -0.04 0.09 6.45 1.82 -0.89 -2.54 116.42 121.84 3dof h ASP 175 Ca 0.61 -0.63 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 3dof h ASP 175 Cb 1.14 0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.17 3dof h ASP 175 CO -0.49 0.66 -0.04 0.40 -1.61 0.00 0.00 179.24 178.16 3dof h ILE 176 N -0.80 0.94 -0.79 2.25 2.04 -0.27 -0.62 117.51 120.27 3dof h ILE 176 Ca -0.01 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3dof h ILE 176 Cb 0.67 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3dof h ILE 176 CO 0.01 0.03 0.46 0.77 0.00 0.00 0.00 178.15 179.41 3dof h SER 177 N -0.17 0.96 0.51 1.72 4.64 -0.14 -0.81 113.55 120.25 3dof h SER 177 Ca -0.01 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3dof h SER 177 Cb 0.14 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3dof h SER 177 CO 0.02 0.76 -0.19 -1.28 -0.87 0.00 0.00 176.83 175.26 3dof h SER 178 N 1.08 0.00 0.55 4.97 0.87 -1.32 0.44 113.55 120.15 3dof h SER 178 Ca 0.28 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.66 3dof h SER 178 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3dof h SER 178 CO -0.05 0.19 -0.81 -0.09 -0.53 0.00 0.00 176.83 175.54 3dof h ARG 179 N 0.00 0.19 0.00 2.24 2.43 -0.26 -3.09 114.38 115.89 3dof h ARG 179 Ca -0.00 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.93 3dof h ARG 179 Cb 0.50 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3dof h ARG 179 CO 0.02 0.90 -0.34 0.82 -1.51 0.00 0.00 179.97 179.86 3dof h ILE 180 N 0.11 0.39 0.52 1.20 2.04 -0.15 -3.03 117.51 118.60 3dof h ILE 180 Ca -0.03 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 3dof h ILE 180 Cb 1.41 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3dof h ILE 180 CO 0.12 0.22 -0.28 0.15 0.00 0.00 0.00 178.15 178.37 3dof h PHE 181 N 0.00 -0.72 0.00 1.37 3.57 -0.11 -2.61 116.94 118.43 3dof h PHE 181 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3dof h PHE 181 Cb 1.19 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.18 3dof h PHE 181 CO 0.00 -0.44 0.00 1.15 -2.23 0.00 0.00 178.31 176.79 3dof h THR 182 N -0.74 0.00 0.77 4.41 2.02 -1.59 -1.29 112.91 116.49 3dof h THR 182 Ca -0.07 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3dof h THR 182 Cb 0.58 1.12 0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3dof h THR 182 CO 0.10 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.62 3dof h ALA 183 N 2.02 -1.15 -0.20 6.16 0.00 -1.34 -2.27 119.26 122.48 3dof h ALA 183 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3dof h ALA 183 Cb 0.21 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3dof h ALA 183 CO 0.00 -1.07 0.10 -0.44 0.00 0.00 0.00 179.25 177.84 3dof h ASP 184 N -1.15 0.16 -0.41 0.00 3.32 -1.24 -0.16 116.42 116.94 3dof h ASP 184 Ca -0.11 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.03 3dof h ASP 184 Cb 0.79 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.23 3dof h ASP 184 CO 0.17 0.12 -0.30 0.25 -1.72 0.00 0.00 179.24 177.76 3dof h LEU 185 N 0.22 -1.02 -0.28 1.55 5.85 -1.32 -0.91 115.31 119.40 3dof h LEU 185 Ca 0.08 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 3dof h LEU 185 Cb 0.01 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3dof h LEU 185 CO -0.05 -0.31 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.13 3dof h GLU 186 N -0.23 0.00 0.00 1.25 5.08 -1.31 -3.14 114.58 116.22 3dof h GLU 186 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3dof h GLU 186 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3dof h GLU 186 CO -0.54 0.28 0.00 1.58 -1.00 0.00 0.00 179.01 179.34 3dof n HIS 187 N -3.22 0.00 -0.06 4.33 -0.00 -0.08 -3.46 115.22 112.73 3dof n HIS 187 Ca 0.02 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.30 3dof n HIS 187 Cb 0.60 -0.45 0.48 0.00 -0.12 0.00 0.00 29.99 30.50 3dof n HIS 187 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3dof h HIS 188 N 0.00 0.46 0.00 1.57 3.86 -1.35 0.60 115.15 120.29 3dof h HIS 188 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3dof h HIS 188 Cb 0.00 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.32 3dof h HIS 188 CO 0.16 0.24 0.00 0.72 0.86 0.00 0.00 177.93 179.90 3dof n HIS 189 N -4.47 0.00 -1.08 2.45 -0.00 -1.19 -5.13 115.22 105.79 3dof n HIS 189 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 3dof n HIS 189 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.28 3dof n HIS 189 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06