#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py2 h THR 7 N 0.00 1.28 0.00 2.46 2.02 -2.06 -1.84 112.91 114.77 1py2 h THR 7 Ca 0.00 -1.37 -0.05 0.00 0.77 0.00 0.00 66.41 65.76 1py2 h THR 7 Cb 0.00 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1py2 h THR 7 CO 0.00 0.42 -0.36 0.50 0.37 0.00 0.00 175.52 176.45 1py2 h LYS 8 N 0.31 0.00 0.23 6.66 3.64 -2.06 -3.25 116.57 122.11 1py2 h LYS 8 Ca 0.04 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.09 1py2 h LYS 8 Cb 0.73 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1py2 h LYS 8 CO 0.06 0.20 -1.48 -0.22 -2.27 0.00 0.00 179.45 175.74 1py2 h LYS 9 N 0.00 0.49 -0.47 1.90 3.64 -1.96 -3.28 116.57 116.89 1py2 h LYS 9 Ca -0.01 -0.85 -0.10 0.00 -1.27 0.00 0.00 60.65 58.43 1py2 h LYS 9 Cb 1.18 0.31 -0.02 0.00 -0.41 0.00 0.00 32.23 33.30 1py2 h LYS 9 CO 0.03 1.40 -0.08 1.15 -2.27 0.00 0.00 179.45 179.68 1py2 h THR 10 N 0.09 1.27 -0.18 1.00 2.02 -1.45 -2.96 112.91 112.70 1py2 h THR 10 Ca -0.27 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 65.69 1py2 h THR 10 Cb 2.11 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1py2 h THR 10 CO 0.25 0.41 -0.01 -0.61 0.37 0.00 0.00 175.52 175.93 1py2 h GLN 11 N 0.74 0.32 -0.04 6.66 4.15 -1.71 -2.17 115.11 123.05 1py2 h GLN 11 Ca 0.12 -0.11 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 1py2 h GLN 11 Cb 0.62 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1py2 h GLN 11 CO 0.04 0.55 -0.36 -0.07 -1.93 0.00 0.00 178.83 177.06 1py2 h LEU 12 N 0.06 0.09 -0.16 -2.39 3.38 -1.62 -0.24 115.31 114.42 1py2 h LEU 12 Ca 0.05 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 1py2 h LEU 12 Cb 0.41 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1py2 h LEU 12 CO 0.01 0.44 -0.88 1.56 0.09 0.00 0.00 178.44 179.67 1py2 h GLN 13 N 0.08 0.64 -0.52 1.13 4.20 -1.50 -1.12 115.11 118.00 1py2 h GLN 13 Ca 0.01 -0.59 -0.09 0.00 0.06 0.00 0.00 58.65 58.04 1py2 h GLN 13 Cb 0.67 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 1py2 h GLN 13 CO 0.05 1.20 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.31 1py2 h LEU 14 N 0.40 0.89 -0.65 1.46 3.38 -1.11 0.34 115.31 120.02 1py2 h LEU 14 Ca -0.08 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1py2 h LEU 14 Cb 1.50 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1py2 h LEU 14 CO 0.17 0.97 0.15 -0.33 0.09 0.00 0.00 178.44 179.48 1py2 h GLU 15 N 0.84 1.06 -0.45 1.13 5.08 -1.02 -0.88 114.58 120.34 1py2 h GLU 15 Ca 0.15 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1py2 h GLU 15 Cb 0.54 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1py2 h GLU 15 CO 0.03 0.95 -0.07 1.25 -1.00 0.00 0.00 179.01 180.17 1py2 h HIS 16 N 0.98 0.93 -0.54 4.33 2.76 -0.93 -1.68 115.15 120.99 1py2 h HIS 16 Ca 0.20 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1py2 h HIS 16 Cb 0.38 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1py2 h HIS 16 CO 0.03 0.92 0.17 1.25 -1.30 0.00 0.00 177.93 179.00 1py2 h LEU 17 N 0.67 0.79 -0.26 0.26 5.85 -0.85 -1.36 115.31 120.40 1py2 h LEU 17 Ca 0.12 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1py2 h LEU 17 Cb 0.60 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1py2 h LEU 17 CO 0.04 0.79 0.16 0.25 -0.34 0.00 0.00 178.44 179.33 1py2 h LEU 18 N 0.75 0.31 -1.02 2.25 5.85 -1.07 -0.38 115.31 122.00 1py2 h LEU 18 Ca 0.18 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1py2 h LEU 18 Cb 0.28 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1py2 h LEU 18 CO -0.01 0.26 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.22 1py2 h LEU 19 N 0.34 0.60 -0.42 2.25 3.38 -1.23 -0.61 115.31 119.62 1py2 h LEU 19 Ca 0.09 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1py2 h LEU 19 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1py2 h LEU 19 CO -0.02 0.72 -0.18 0.44 0.09 0.00 0.00 178.44 179.49 1py2 h ASP 20 N 0.58 0.89 0.14 -0.43 5.19 -1.01 0.08 116.42 121.85 1py2 h ASP 20 Ca 0.11 -0.39 -0.13 0.00 -0.62 0.00 0.00 57.03 56.00 1py2 h ASP 20 Cb 0.47 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1py2 h ASP 20 CO 0.02 1.08 -0.47 -0.07 -3.12 0.00 0.00 179.24 176.69 1py2 h LEU 21 N 0.69 0.42 -0.66 1.55 3.38 -0.85 -2.44 115.31 117.40 1py2 h LEU 21 Ca 0.10 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 1py2 h LEU 21 Cb 0.74 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1py2 h LEU 21 CO 0.06 0.83 -0.60 1.56 0.09 0.00 0.00 178.44 180.38 1py2 h GLN 22 N 0.32 0.23 -0.28 1.13 4.20 -1.06 -2.64 115.11 117.02 1py2 h GLN 22 Ca 0.02 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1py2 h GLN 22 Cb 0.94 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1py2 h GLN 22 CO 0.08 0.76 0.18 1.98 -0.67 0.00 0.00 178.83 181.16 1py2 h MET 23 N 0.17 0.37 -0.24 1.46 4.05 -0.71 -1.43 114.93 118.60 1py2 h MET 23 Ca -0.01 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1py2 h MET 23 Cb 1.10 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 1py2 h MET 23 CO 0.09 0.24 0.06 0.82 0.23 0.00 0.00 176.91 178.36 1py2 h ILE 24 N 0.38 1.21 -0.88 1.77 2.04 -1.43 -2.99 117.51 117.60 1py2 h ILE 24 Ca 0.10 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.31 1py2 h ILE 24 Cb -0.04 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1py2 h ILE 24 CO -0.02 0.22 0.57 0.25 0.00 0.00 0.00 178.15 179.17 1py2 h LEU 25 N 0.22 0.96 -0.91 1.44 5.85 -1.38 -2.31 115.31 119.17 1py2 h LEU 25 Ca 0.08 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1py2 h LEU 25 Cb 0.27 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1py2 h LEU 25 CO 0.00 0.66 0.30 -1.13 -0.34 0.00 0.00 178.44 177.93 1py2 h ASN 26 N 1.12 1.00 0.04 1.25 -1.24 -1.18 -1.31 115.58 115.26 1py2 h ASN 26 Ca 0.34 -0.14 -0.11 0.00 0.71 0.00 0.00 56.30 57.10 1py2 h ASN 26 Cb -0.02 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.76 1py2 h ASN 26 CO -0.11 0.88 -0.36 1.23 -1.29 0.00 0.00 177.43 177.79 1py2 h GLY 27 N 1.11 0.48 1.43 1.57 0.00 -1.36 -3.07 103.07 103.24 1py2 h GLY 27 Ca 0.25 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1py2 h GLY 27 CO -0.02 0.40 -0.29 -2.22 0.00 0.00 0.00 176.54 174.41 1py2 h ILE 28 N 0.37 1.28 0.00 2.60 2.04 -0.95 -3.12 117.51 119.73 1py2 h ILE 28 Ca 0.04 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 1py2 h ILE 28 Cb 0.81 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1py2 h ILE 28 CO 0.07 0.45 -0.02 0.78 0.00 0.00 0.00 178.15 179.43 1py2 h ASN 29 N 0.55 0.00 0.99 1.72 2.35 -1.16 -2.68 115.58 117.35 1py2 h ASN 29 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1py2 h ASN 29 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1py2 h ASN 29 CO 0.06 0.02 -0.19 -3.20 -1.65 0.00 0.00 177.43 172.47 1py2 n ASN 30 N -3.13 0.38 -4.77 5.81 5.15 -1.18 -4.89 115.26 112.64 1py2 n ASN 30 Ca -0.00 0.31 -0.40 0.00 -0.60 0.00 0.00 54.58 53.89 1py2 n ASN 30 Cb 0.27 -0.33 -0.02 0.00 -0.53 0.00 0.00 39.78 39.18 1py2 n ASN 30 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1py2 s TYR 31 N -3.05 3.05 0.38 1.20 2.02 -1.01 -5.04 117.35 114.90 1py2 s TYR 31 Ca 0.12 1.45 0.08 0.00 -0.37 0.00 0.00 57.07 58.34 1py2 s TYR 31 Cb 0.16 -3.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.05 1py2 s TYR 31 CO 0.61 -1.75 0.18 0.15 -1.57 0.00 0.00 175.55 173.17 1py2 s LYS 32 N -1.88 2.32 0.00 -0.62 1.02 -1.26 -4.75 119.74 114.58 1py2 s LYS 32 Ca 0.50 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.82 1py2 s LYS 32 Cb -0.38 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1py2 s LYS 32 CO 0.50 -0.02 0.00 0.09 -0.92 0.00 0.00 175.35 175.01 1py2 n ASN 33 N -1.23 0.00 -0.03 2.83 3.02 -1.26 -2.44 115.26 116.15 1py2 n ASN 33 Ca -0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.39 1py2 n ASN 33 Cb 0.63 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.70 1py2 n ASN 33 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1py2 h PRO 34 N 0.00 0.31 -0.34 3.52 0.11 -2.00 -3.09 132.00 130.50 1py2 h PRO 34 Ca 0.00 -0.24 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 1py2 h PRO 34 Cb 0.00 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1py2 h PRO 34 CO 0.00 0.87 0.01 -0.22 -0.21 0.00 0.00 178.00 178.46 1py2 h LYS 35 N -0.19 0.52 -0.29 1.05 3.64 -1.88 -2.13 116.57 117.29 1py2 h LYS 35 Ca -0.01 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.16 1py2 h LYS 35 Cb 0.91 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1py2 h LYS 35 CO 0.06 0.54 -0.21 1.25 -2.27 0.00 0.00 179.45 178.82 1py2 h LEU 36 N 0.50 0.68 -0.83 5.20 5.85 -1.59 -2.56 115.31 122.56 1py2 h LEU 36 Ca 0.11 -0.44 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 1py2 h LEU 36 Cb 0.31 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1py2 h LEU 36 CO 0.01 0.97 -0.07 0.74 -0.34 0.00 0.00 178.44 179.76 1py2 h THR 37 N 0.38 1.25 -0.04 1.05 2.02 -1.42 -2.73 112.91 113.42 1py2 h THR 37 Ca 0.06 -1.12 -0.13 0.00 0.77 0.00 0.00 66.41 65.99 1py2 h THR 37 Cb 0.75 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1py2 h THR 37 CO 0.06 0.39 -0.58 -0.09 0.37 0.00 0.00 175.52 175.66 1py2 h ARG 38 N 0.74 0.14 0.00 6.66 1.12 -1.39 -3.15 114.38 118.50 1py2 h ARG 38 Ca 0.13 -0.09 -0.13 0.00 -1.11 0.00 0.00 59.98 58.78 1py2 h ARG 38 Cb 0.54 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.50 1py2 h ARG 38 CO 0.03 0.68 -0.61 1.98 -3.11 0.00 0.00 179.97 178.94 1py2 h MET 39 N 0.10 0.00 0.00 0.20 4.05 -1.34 -3.22 114.93 114.73 1py2 h MET 39 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1py2 h MET 39 Cb 1.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 1py2 h MET 39 CO 0.08 0.61 0.00 1.28 0.23 0.00 0.00 176.91 179.12 1py2 n LEU 40 N -3.36 0.00 0.20 3.39 4.77 -1.04 -2.61 117.00 118.35 1py2 n LEU 40 Ca 0.01 0.26 0.10 0.00 -0.03 0.00 0.00 56.01 56.34 1py2 n LEU 40 Cb 0.73 -0.26 0.21 0.00 -2.33 0.00 0.00 43.42 41.77 1py2 n LEU 40 CO 0.41 -0.04 0.73 0.71 -1.33 0.00 0.00 177.39 177.87 1py2 h THR 41 N 0.00 0.31 -2.87 -5.08 1.35 -1.64 -3.45 112.91 101.53 1py2 h THR 41 Ca 0.00 -1.32 -0.54 0.00 -0.55 0.00 0.00 66.41 64.00 1py2 h THR 41 Cb 0.22 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1py2 h THR 41 CO 0.00 0.17 0.86 0.12 -0.25 0.00 0.00 175.52 176.42 1py2 s PHE 42 N -3.23 2.78 0.05 4.73 2.19 -1.07 -5.01 117.98 118.42 1py2 s PHE 42 Ca 0.05 0.74 0.00 0.00 0.33 0.00 0.00 56.93 58.05 1py2 s PHE 42 Cb 0.07 -3.71 -0.04 0.00 -1.31 0.00 0.00 43.02 38.02 1py2 s PHE 42 CO 0.68 -2.69 0.18 0.15 1.83 0.00 0.00 175.22 175.37 1py2 s LYS 43 N 2.43 3.32 0.06 10.12 3.01 -1.26 -4.17 119.74 133.25 1py2 s LYS 43 Ca 0.65 -0.47 0.04 0.00 -1.01 0.00 0.00 55.97 55.18 1py2 s LYS 43 Cb -0.33 -2.98 -0.03 0.00 -1.01 0.00 0.00 37.83 33.48 1py2 s LYS 43 CO 0.27 0.61 -0.11 -0.06 0.51 0.00 0.00 175.35 176.57 1py2 s PHE 44 N -1.45 0.98 0.14 3.18 0.08 0.17 -4.93 117.98 116.15 1py2 s PHE 44 Ca 0.33 -0.50 -0.16 0.00 0.12 0.00 0.00 56.93 56.72 1py2 s PHE 44 Cb -0.13 -0.56 -0.07 0.00 -0.57 0.00 0.00 43.02 41.69 1py2 s PHE 44 CO 0.25 -0.01 0.58 0.71 -0.10 0.00 0.00 175.22 176.66 1py2 s TYR 45 N -1.43 3.66 0.11 0.36 2.02 -1.26 -0.87 117.35 119.93 1py2 s TYR 45 Ca -0.05 1.16 0.10 0.00 -0.37 0.00 0.00 57.07 57.92 1py2 s TYR 45 Cb -0.09 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 1py2 s TYR 45 CO 0.01 0.45 -0.26 -1.64 -1.57 0.00 0.00 175.55 172.55 1py2 s MET 46 N -1.76 1.51 0.42 -0.62 -1.94 -1.26 -4.93 119.30 110.71 1py2 s MET 46 Ca 0.36 -1.29 -0.25 0.00 -1.71 0.00 0.00 55.69 52.81 1py2 s MET 46 Cb -0.16 -1.94 -0.08 0.00 2.01 0.00 0.00 34.83 34.66 1py2 s MET 46 CO 0.19 0.46 1.19 -1.25 -0.01 0.00 0.00 175.02 175.61 1py2 s PRO 47 N -1.93 3.97 0.15 2.03 0.04 -1.26 -0.10 135.00 137.90 1py2 s PRO 47 Ca 0.14 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 62.98 1py2 s PRO 47 Cb -0.10 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 1py2 s PRO 47 CO 0.06 -0.40 1.42 0.87 0.04 0.00 0.00 177.00 178.98 1py2 h LYS 48 N 2.50 0.66 -3.06 4.56 1.79 -1.60 -3.39 116.57 118.04 1py2 h LYS 48 Ca -0.49 -0.47 -0.22 0.00 -2.18 0.00 0.00 60.65 57.29 1py2 h LYS 48 Cb 1.24 0.07 -0.31 0.00 -1.58 0.00 0.00 32.23 31.65 1py2 h LYS 48 CO 0.62 1.09 -0.53 0.15 -1.08 0.00 0.00 179.45 179.70 1py2 s LYS 49 N -3.90 0.15 -0.42 3.15 1.02 -1.26 -4.94 119.74 113.54 1py2 s LYS 49 Ca -0.09 0.52 0.03 0.00 0.02 0.00 0.00 55.97 56.45 1py2 s LYS 49 Cb 0.10 -0.14 0.12 0.00 -0.52 0.00 0.00 37.83 37.40 1py2 s LYS 49 CO 0.87 -0.19 0.18 0.00 -0.92 0.00 0.00 175.35 175.29 1py2 s ALA 50 N 1.49 2.53 0.00 5.17 0.00 -1.26 -4.86 121.76 124.82 1py2 s ALA 50 Ca -0.07 -2.62 0.00 0.00 0.00 0.00 0.00 51.96 49.27 1py2 s ALA 50 Cb -0.11 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1py2 s ALA 50 CO -0.08 -1.91 0.00 0.25 0.00 0.00 0.00 175.76 174.02 1py2 n THR 51 N 3.78 0.00 -4.50 0.00 -2.24 -1.26 -4.95 114.28 105.10 1py2 n THR 51 Ca 0.05 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.57 1py2 n THR 51 Cb 0.36 0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 1py2 n THR 51 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1py2 s GLU 52 N -0.36 1.87 0.47 -0.78 2.12 -1.26 -4.97 118.70 115.79 1py2 s GLU 52 Ca 0.00 -1.90 0.24 0.00 0.36 0.00 0.00 54.97 53.67 1py2 s GLU 52 Cb 0.00 -1.75 1.13 0.00 0.26 0.00 0.00 34.13 33.77 1py2 s GLU 52 CO 0.00 0.14 1.93 -0.07 -0.54 0.00 0.00 175.26 176.73 1py2 h LEU 53 N 1.98 0.00 -0.75 2.70 3.38 -1.99 -2.65 115.31 117.98 1py2 h LEU 53 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1py2 h LEU 53 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1py2 h LEU 53 CO 0.70 0.21 0.00 0.50 0.09 0.00 0.00 178.44 179.93 1py2 h LYS 54 N 0.00 0.00 0.00 1.13 3.64 -1.89 -2.83 116.57 116.62 1py2 h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1py2 h LYS 54 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1py2 h LYS 54 CO 0.03 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.93 1py2 n HIS 55 N -2.50 0.00 0.79 1.91 8.25 -1.00 -3.32 115.22 119.35 1py2 n HIS 55 Ca 0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.57 1py2 n HIS 55 Cb 0.29 -0.02 0.44 0.00 1.12 0.00 0.00 29.99 31.82 1py2 n HIS 55 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1py2 n LEU 56 N -1.02 0.00 0.13 2.41 4.77 -1.07 -2.74 117.00 119.48 1py2 n LEU 56 Ca 0.22 0.35 0.02 0.00 -0.03 0.00 0.00 56.01 56.57 1py2 n LEU 56 Cb 0.11 -0.35 0.37 0.00 -2.33 0.00 0.00 43.42 41.23 1py2 n LEU 56 CO 0.18 -0.14 0.84 -0.61 -1.33 0.00 0.00 177.39 176.33 1py2 h GLN 57 N 0.00 0.20 -0.24 3.23 4.15 -1.82 -0.58 115.11 120.06 1py2 h GLN 57 Ca 0.00 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.28 1py2 h GLN 57 Cb 0.21 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1py2 h GLN 57 CO 0.00 0.39 -0.21 0.00 -1.93 0.00 0.00 178.83 177.08 1py2 h LEU 59 N 0.39 0.84 -0.21 0.00 5.85 -1.65 -3.26 115.31 117.26 1py2 h LEU 59 Ca 0.06 -0.62 0.03 0.00 0.84 0.00 0.00 57.88 58.19 1py2 h LEU 59 Cb 0.59 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1py2 h LEU 59 CO 0.04 1.42 -0.00 -0.08 -0.34 0.00 0.00 178.44 179.48 1py2 h GLU 60 N 0.41 0.06 0.00 1.25 4.57 -0.77 -2.41 114.58 117.69 1py2 h GLU 60 Ca -0.09 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 1py2 h GLU 60 Cb 1.57 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.14 1py2 h GLU 60 CO 0.18 0.04 -0.22 0.93 -1.18 0.00 0.00 179.01 178.76 1py2 h GLU 61 N 0.07 0.00 -0.57 1.92 5.08 -1.46 -2.96 114.58 116.65 1py2 h GLU 61 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1py2 h GLU 61 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1py2 h GLU 61 CO -0.17 0.22 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 1py2 n GLU 62 N -3.77 2.33 0.14 2.33 -0.58 -0.93 -4.15 120.64 116.01 1py2 n GLU 62 Ca -0.01 -2.04 0.01 0.00 -0.42 0.00 0.00 57.16 54.69 1py2 n GLU 62 Cb 0.33 -1.45 0.09 0.00 -0.57 0.00 0.00 31.44 29.84 1py2 n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1py2 h LEU 63 N 3.31 0.00 0.93 -4.62 3.38 -1.32 -2.34 115.31 114.65 1py2 h LEU 63 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1py2 h LEU 63 Cb 0.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1py2 h LEU 63 CO 0.00 0.58 -0.45 0.11 0.09 0.00 0.00 178.44 178.78 1py2 h LYS 64 N 0.00 -1.21 -0.79 1.13 1.79 -1.80 -1.86 116.57 113.84 1py2 h LYS 64 Ca -0.01 0.08 0.11 0.00 -2.18 0.00 0.00 60.65 58.66 1py2 h LYS 64 Cb 1.31 0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 32.18 1py2 h LYS 64 CO 0.08 -0.81 0.51 -1.35 -1.08 0.00 0.00 179.45 176.80 1py2 h PRO 65 N -1.30 0.64 -0.81 3.15 0.11 -1.83 -1.79 132.00 130.17 1py2 h PRO 65 Ca -0.13 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 1py2 h PRO 65 Cb 0.96 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.89 1py2 h PRO 65 CO 0.21 0.42 0.41 1.25 -0.21 0.00 0.00 178.00 180.09 1py2 h LEU 66 N 0.66 1.05 -0.64 2.35 5.85 -1.36 -2.12 115.31 121.10 1py2 h LEU 66 Ca 0.37 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1py2 h LEU 66 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1py2 h LEU 66 CO -0.14 0.88 0.02 -0.08 -0.34 0.00 0.00 178.44 178.77 1py2 h GLU 67 N 1.15 1.08 -0.00 1.25 4.81 -0.78 -2.86 114.58 119.23 1py2 h GLU 67 Ca 0.28 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1py2 h GLU 67 Cb 0.09 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1py2 h GLU 67 CO -0.04 1.04 -0.03 0.93 -0.73 0.00 0.00 179.01 180.18 1py2 h GLU 68 N 0.99 -0.06 -0.17 1.92 5.08 -0.93 -1.94 114.58 119.49 1py2 h GLU 68 Ca 0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1py2 h GLU 68 Cb 0.54 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1py2 h GLU 68 CO 0.03 -0.04 -0.49 -0.24 -1.00 0.00 0.00 179.01 177.27 1py2 h VAL 69 N -0.06 1.32 -0.10 3.13 3.04 -1.43 -2.56 116.25 119.60 1py2 h VAL 69 Ca 0.01 -1.71 -0.13 0.00 -1.01 0.00 0.00 66.70 63.87 1py2 h VAL 69 Cb 0.08 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1py2 h VAL 69 CO -0.04 0.52 -0.50 -0.07 -1.01 0.00 0.00 177.57 176.48 1py2 h LEU 70 N 0.35 0.29 -1.18 3.16 3.38 -1.46 -2.12 115.31 117.72 1py2 h LEU 70 Ca 0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1py2 h LEU 70 Cb 0.98 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1py2 h LEU 70 CO 0.09 0.74 -0.29 0.78 0.09 0.00 0.00 178.44 179.85 1py2 h ASN 71 N 0.21 0.00 1.35 -0.43 -0.26 -1.17 -3.03 115.58 112.25 1py2 h ASN 71 Ca 0.01 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.65 1py2 h ASN 71 Cb 0.95 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.20 1py2 h ASN 71 CO 0.08 0.29 -0.67 -0.07 -1.06 0.00 0.00 177.43 176.00 1py2 h LEU 72 N 0.00 0.00 -1.30 1.61 3.38 -1.10 -3.32 115.31 114.58 1py2 h LEU 72 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1py2 h LEU 72 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1py2 h LEU 72 CO 0.04 0.43 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1py2 n ALA 73 N -2.24 2.48 -2.98 1.53 0.00 -0.83 -5.11 120.51 113.36 1py2 n ALA 73 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1py2 n ALA 73 Cb 0.72 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1py2 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1py2 n GLN 74 N 0.51 1.68 -4.34 0.00 10.64 -1.22 -5.08 117.38 119.57 1py2 n GLN 74 Ca 0.15 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.98 1py2 n GLN 74 Cb 0.35 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.61 1py2 n GLN 74 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1py2 s ARG 81 N 4.56 3.56 0.45 2.61 3.52 -1.26 -5.15 118.95 127.25 1py2 s ARG 81 Ca 0.00 -0.47 0.19 0.00 -0.13 0.00 0.00 55.73 55.32 1py2 s ARG 81 Cb 0.00 -2.93 1.09 0.00 -1.56 0.00 0.00 34.95 31.55 1py2 s ARG 81 CO 0.00 0.35 1.97 -1.35 -0.81 0.00 0.00 175.30 175.46 1py2 h PRO 82 N 6.35 0.00 -0.35 5.12 0.11 -1.95 -2.64 132.00 138.65 1py2 h PRO 82 Ca -0.36 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 1py2 h PRO 82 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1py2 h PRO 82 CO 0.62 0.21 -0.40 0.00 -0.21 0.00 0.00 178.00 178.22 1py2 h ARG 83 N 0.00 0.85 0.18 1.05 2.47 -2.00 -2.98 114.38 113.96 1py2 h ARG 83 Ca -0.00 -0.46 -0.30 0.00 -1.26 0.00 0.00 59.98 57.96 1py2 h ARG 83 Cb 0.43 0.02 0.03 0.00 -1.65 0.00 0.00 29.97 28.80 1py2 h ARG 83 CO 0.03 1.10 -1.28 -0.44 0.56 0.00 0.00 179.97 179.94 1py2 h ASP 84 N 0.69 0.81 -0.12 7.04 3.32 -1.95 -3.19 116.42 123.02 1py2 h ASP 84 Ca 0.05 -0.88 -0.08 0.00 0.02 0.00 0.00 57.03 56.14 1py2 h ASP 84 Cb 0.98 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1py2 h ASP 84 CO 0.09 1.62 -0.23 0.25 -1.72 0.00 0.00 179.24 179.25 1py2 h LEU 85 N 0.12 0.41 -0.51 1.55 5.85 -1.58 -2.77 115.31 118.38 1py2 h LEU 85 Ca -0.21 -0.56 -0.14 0.00 0.84 0.00 0.00 57.88 57.81 1py2 h LEU 85 Cb 1.98 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 1py2 h LEU 85 CO 0.24 0.89 -0.32 0.40 -0.34 0.00 0.00 178.44 179.31 1py2 h ILE 86 N -0.05 1.27 -0.02 4.05 1.08 -1.69 -0.84 117.51 121.31 1py2 h ILE 86 Ca 0.00 -1.48 -0.06 0.00 -0.39 0.00 0.00 64.86 62.94 1py2 h ILE 86 Cb 0.82 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1py2 h ILE 86 CO 0.05 0.50 -0.26 0.77 -0.69 0.00 0.00 178.15 178.52 1py2 h SER 87 N 0.73 0.02 0.72 1.72 4.64 -1.63 0.17 113.55 119.93 1py2 h SER 87 Ca 0.08 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.17 1py2 h SER 87 Cb 0.88 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1py2 h SER 87 CO 0.08 0.28 -1.02 0.78 -0.87 0.00 0.00 176.83 176.08 1py2 h ASN 88 N 0.02 0.23 -0.03 4.97 2.35 -1.20 -3.09 115.58 118.83 1py2 h ASN 88 Ca 0.00 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.39 1py2 h ASN 88 Cb 0.47 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1py2 h ASN 88 CO 0.03 1.11 -0.45 0.40 -1.65 0.00 0.00 177.43 176.87 1py2 h ILE 89 N 0.07 1.31 -0.70 2.81 2.04 -0.76 -3.01 117.51 119.26 1py2 h ILE 89 Ca -0.06 -1.64 0.09 0.00 1.00 0.00 0.00 64.86 64.25 1py2 h ILE 89 Cb 1.72 1.62 -0.07 0.00 -0.74 0.00 0.00 36.82 39.34 1py2 h ILE 89 CO 0.15 0.52 0.34 -1.13 0.00 0.00 0.00 178.15 178.03 1py2 h ASN 90 N 0.46 0.43 -0.40 1.72 -0.73 -0.67 -0.46 115.58 115.93 1py2 h ASN 90 Ca 0.03 0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 1py2 h ASN 90 Cb 0.97 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.53 1py2 h ASN 90 CO 0.09 0.25 0.09 0.58 -0.37 0.00 0.00 177.43 178.07 1py2 h VAL 91 N 0.58 1.23 -0.12 2.57 2.07 -1.52 -1.82 116.25 119.24 1py2 h VAL 91 Ca 0.34 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1py2 h VAL 91 Cb 0.37 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1py2 h VAL 91 CO -0.27 0.28 -0.03 0.40 0.02 0.00 0.00 177.57 177.97 1py2 h ILE 92 N 0.51 0.88 -0.58 4.57 1.08 -1.28 -1.43 117.51 121.27 1py2 h ILE 92 Ca 0.13 -0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.51 1py2 h ILE 92 Cb 0.32 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 1py2 h ILE 92 CO 0.00 0.00 0.04 0.58 -0.69 0.00 0.00 178.15 178.08 1py2 h VAL 93 N 0.00 1.26 -0.58 1.67 2.07 -1.07 -2.15 116.25 117.45 1py2 h VAL 93 Ca 0.06 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 1py2 h VAL 93 Cb 0.08 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1py2 h VAL 93 CO -0.12 0.39 0.01 -0.07 0.02 0.00 0.00 177.57 177.80 1py2 h LEU 94 N 0.91 0.97 -0.60 2.57 3.38 -1.16 -2.96 115.31 118.43 1py2 h LEU 94 Ca 0.17 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1py2 h LEU 94 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1py2 h LEU 94 CO 0.02 1.02 -0.54 -0.33 0.09 0.00 0.00 178.44 178.70 1py2 h GLU 95 N 0.92 0.45 -0.18 1.13 5.08 -1.10 -3.25 114.58 117.64 1py2 h GLU 95 Ca 0.17 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 1py2 h GLU 95 Cb 0.52 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1py2 h GLU 95 CO 0.03 0.88 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.37 1py2 h LEU 96 N 0.35 0.50 0.00 1.33 3.38 -1.32 -3.52 115.31 116.03 1py2 h LEU 96 Ca 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1py2 h LEU 96 Cb 1.05 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1py2 h LEU 96 CO 0.10 0.90 0.00 2.29 0.09 0.00 0.00 178.44 181.81 1py2 n LYS 97 N -3.98 3.46 0.00 1.13 2.85 -1.12 -4.85 118.16 115.64 1py2 n LYS 97 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1py2 n LYS 97 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 1py2 n LYS 97 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1py2 n PHE 103 N 0.00 0.00 -3.14 5.58 7.35 -1.26 -4.88 117.46 121.11 1py2 n PHE 103 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 1py2 n PHE 103 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 1py2 n PHE 103 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1py2 s MET 104 N -5.39 3.18 -0.03 -4.13 -2.45 -1.26 -5.04 119.30 104.17 1py2 s MET 104 Ca 0.00 -0.68 -0.30 0.00 -1.25 0.00 0.00 55.69 53.46 1py2 s MET 104 Cb 0.00 -4.04 -0.03 0.00 1.25 0.00 0.00 34.83 32.01 1py2 s MET 104 CO 0.00 -1.13 1.10 0.00 1.05 0.00 0.00 175.02 176.04 1py2 s GLU 106 N 1.66 4.17 0.30 0.00 2.02 -1.26 -5.03 118.70 120.56 1py2 s GLU 106 Ca 0.54 0.01 -0.11 0.00 0.02 0.00 0.00 54.97 55.43 1py2 s GLU 106 Cb -0.23 -3.50 -0.07 0.00 0.10 0.00 0.00 34.13 30.42 1py2 s GLU 106 CO 0.24 0.09 0.65 0.71 0.02 0.00 0.00 175.26 176.97 1py2 s TYR 107 N 0.95 3.43 0.65 1.61 2.02 -1.26 -1.79 117.35 122.95 1py2 s TYR 107 Ca 0.14 0.98 -0.13 0.00 -0.37 0.00 0.00 57.07 57.69 1py2 s TYR 107 Cb -0.14 -2.36 -0.01 0.00 -0.40 0.00 0.00 41.96 39.06 1py2 s TYR 107 CO 0.05 0.12 1.06 0.00 -1.57 0.00 0.00 175.55 175.21 1py2 s ALA 108 N -2.02 2.70 0.38 3.71 0.00 0.86 -4.57 121.76 122.82 1py2 s ALA 108 Ca 0.50 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.77 1py2 s ALA 108 Cb -0.11 -3.20 0.75 0.00 0.00 0.00 0.00 23.12 20.56 1py2 s ALA 108 CO 0.23 -1.04 1.92 -0.44 0.00 0.00 0.00 175.76 176.43 1py2 h ASP 109 N -0.19 0.33 -3.16 0.00 3.32 -1.96 -3.44 116.42 111.32 1py2 h ASP 109 Ca -0.45 -0.06 -0.59 0.00 0.02 0.00 0.00 57.03 55.95 1py2 h ASP 109 Cb 1.21 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.62 1py2 h ASP 109 CO 0.57 0.42 -0.14 -1.61 -1.72 0.00 0.00 179.24 176.77 1py2 s GLU 110 N -4.89 4.11 0.49 3.56 0.41 -1.26 -5.09 118.70 116.03 1py2 s GLU 110 Ca -0.06 0.52 -0.04 0.00 -0.41 0.00 0.00 54.97 54.98 1py2 s GLU 110 Cb 0.16 -3.28 -0.02 0.00 -1.78 0.00 0.00 34.13 29.21 1py2 s GLU 110 CO 0.74 0.54 0.78 0.95 -0.49 0.00 0.00 175.26 177.78 1py2 s THR 111 N -0.67 4.42 0.07 3.63 -4.23 -1.26 -4.39 115.64 113.21 1py2 s THR 111 Ca 0.26 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 1py2 s THR 111 Cb -0.17 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1py2 s THR 111 CO 0.14 -0.63 -0.06 0.00 -0.54 0.00 0.00 174.62 173.54 1py2 s ALA 112 N -2.74 0.70 0.71 3.99 0.00 -0.05 -4.91 121.76 119.46 1py2 s ALA 112 Ca 0.49 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1py2 s ALA 112 Cb -0.10 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1py2 s ALA 112 CO 0.43 -0.20 1.10 0.95 0.00 0.00 0.00 175.76 178.03 1py2 s THR 113 N -2.91 3.27 0.28 0.00 -4.23 -1.26 0.46 115.64 111.24 1py2 s THR 113 Ca 0.03 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.92 1py2 s THR 113 Cb 0.00 -3.40 0.26 0.00 1.34 0.00 0.00 72.50 70.71 1py2 s THR 113 CO -0.04 -0.52 1.78 -0.29 -0.54 0.00 0.00 174.62 175.00 1py2 h ILE 114 N -0.68 0.76 -0.39 2.99 2.10 -1.85 0.65 117.51 121.09 1py2 h ILE 114 Ca -0.45 -0.25 -0.13 0.00 1.08 0.00 0.00 64.86 65.11 1py2 h ILE 114 Cb 1.26 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 1py2 h ILE 114 CO 0.64 0.13 -0.28 0.58 -1.08 0.00 0.00 178.15 178.14 1py2 h VAL 115 N 0.73 1.27 -0.11 2.19 2.07 -1.96 0.17 116.25 120.61 1py2 h VAL 115 Ca 0.50 -1.43 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 1py2 h VAL 115 Cb 0.68 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1py2 h VAL 115 CO -0.35 0.48 -0.52 -0.08 0.02 0.00 0.00 177.57 177.12 1py2 h GLU 116 N 0.72 0.31 -0.28 1.57 4.81 -1.82 -2.31 114.58 117.58 1py2 h GLU 116 Ca 0.08 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1py2 h GLU 116 Cb 0.83 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1py2 h GLU 116 CO 0.07 0.76 -0.16 0.35 -0.73 0.00 0.00 179.01 179.30 1py2 h PHE 117 N 0.24 0.71 -0.26 0.92 3.57 -0.48 -2.86 116.94 118.79 1py2 h PHE 117 Ca 0.01 -0.18 -0.09 0.00 3.53 0.00 0.00 57.97 61.24 1py2 h PHE 117 Cb 1.00 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1py2 h PHE 117 CO 0.02 0.86 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.72 1py2 h LEU 118 N 0.35 0.60 -0.83 0.59 3.38 -0.70 -3.23 115.31 115.48 1py2 h LEU 118 Ca 0.06 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1py2 h LEU 118 Cb 0.69 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1py2 h LEU 118 CO 0.05 0.91 0.52 0.78 0.09 0.00 0.00 178.44 180.78 1py2 h ASN 119 N 0.29 0.98 -0.46 -0.43 4.21 -1.47 -0.19 115.58 118.50 1py2 h ASN 119 Ca 0.05 -0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 1py2 h ASN 119 Cb 0.71 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1py2 h ASN 119 CO 0.05 0.74 0.18 -0.09 -1.29 0.00 0.00 177.43 177.02 1py2 h ARG 120 N 1.13 0.75 0.01 0.81 2.43 -1.56 0.13 114.38 118.07 1py2 h ARG 120 Ca 0.30 -0.12 -0.24 0.00 -0.81 0.00 0.00 59.98 59.11 1py2 h ARG 120 Cb -0.08 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 1py2 h ARG 120 CO -0.06 0.63 -1.20 -1.49 -1.51 0.00 0.00 179.97 176.35 1py2 h TRP 121 N 0.74 0.04 -0.35 2.20 4.06 -1.50 -1.36 115.95 119.78 1py2 h TRP 121 Ca 0.18 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.06 1py2 h TRP 121 Cb 0.18 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 1py2 h TRP 121 CO 0.01 1.03 0.10 0.82 -3.56 0.00 0.00 178.44 176.84 1py2 h ILE 122 N 0.01 1.21 -0.72 1.49 2.04 -0.74 -0.59 117.51 120.21 1py2 h ILE 122 Ca -0.09 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 1py2 h ILE 122 Cb 1.85 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1py2 h ILE 122 CO 0.12 0.24 0.19 0.74 0.00 0.00 0.00 178.15 179.44 1py2 h THR 123 N 0.41 1.26 -0.50 -0.27 2.02 -0.79 -2.21 112.91 112.83 1py2 h THR 123 Ca 0.11 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1py2 h THR 123 Cb 0.27 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1py2 h THR 123 CO -0.00 0.37 0.25 0.15 0.37 0.00 0.00 175.52 176.66 1py2 h PHE 124 N 1.09 0.70 -0.56 3.16 3.57 -1.11 -2.54 116.94 121.24 1py2 h PHE 124 Ca 0.23 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 1py2 h PHE 124 Cb 0.36 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1py2 h PHE 124 CO 0.03 0.55 0.00 0.00 -2.23 0.00 0.00 178.31 176.66 1py2 h GLN 126 N 0.87 0.35 -0.27 0.00 4.20 -1.33 -2.74 115.11 116.19 1py2 h GLN 126 Ca 0.16 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.61 1py2 h GLN 126 Cb 0.54 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1py2 h GLN 126 CO 0.03 0.42 -0.58 1.03 -0.67 0.00 0.00 178.83 179.06 1py2 h SER 127 N 0.33 0.96 0.32 1.46 0.87 -1.24 -3.20 113.55 113.05 1py2 h SER 127 Ca 0.07 -0.53 -0.15 0.00 -1.23 0.00 0.00 61.79 59.96 1py2 h SER 127 Cb 0.31 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1py2 h SER 127 CO 0.01 1.33 -0.60 0.40 -0.53 0.00 0.00 176.83 177.44 1py2 h ILE 128 N 0.65 1.38 -0.39 2.23 1.08 -1.32 -3.11 117.51 118.02 1py2 h ILE 128 Ca 0.01 -1.95 -0.08 0.00 -0.39 0.00 0.00 64.86 62.45 1py2 h ILE 128 Cb 1.19 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 36.89 1py2 h ILE 128 CO 0.13 0.58 -0.10 0.40 -0.69 0.00 0.00 178.15 178.47 1py2 h ILE 129 N 0.21 1.25 0.00 -0.67 2.04 -1.55 -3.07 117.51 115.71 1py2 h ILE 129 Ca -0.00 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1py2 h ILE 129 Cb 1.10 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1py2 h ILE 129 CO 0.09 0.37 0.00 0.77 0.00 0.00 0.00 178.15 179.38 1py2 h SER 130 N 0.62 0.00 -0.09 1.72 4.64 -1.54 -3.28 113.55 115.62 1py2 h SER 130 Ca 0.11 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.23 1py2 h SER 130 Cb 0.53 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1py2 h SER 130 CO 0.03 0.00 -0.71 0.71 -0.87 0.00 0.00 176.83 175.99 1py2 h THR 131 N 0.00 1.33 -0.03 2.95 1.35 -1.51 -3.52 112.91 113.48 1py2 h THR 131 Ca 0.00 -1.98 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 1py2 h THR 131 Cb 0.78 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1py2 h THR 131 CO 0.00 0.61 0.00 0.00 -0.25 0.00 0.00 175.52 175.88