#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 1.36 -0.27 0.44 2.02 -2.05 -3.16 112.91 111.26 1py2 h THR 7 Ca 0.00 -1.91 -0.18 0.00 0.77 0.00 0.00 66.41 65.10 1py2 h THR 7 Cb 0.00 2.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1py2 h THR 7 CO 0.00 0.54 -0.53 0.50 0.37 0.00 0.00 175.52 176.40 1py2 h LYS 8 N 0.00 0.79 -0.53 6.66 1.63 -2.03 -2.90 116.57 120.20 1py2 h LYS 8 Ca -0.01 -0.49 -0.11 0.00 -0.85 0.00 0.00 60.65 59.19 1py2 h LYS 8 Cb 0.99 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 1py2 h LYS 8 CO 0.07 1.12 -0.11 -0.22 -3.45 0.00 0.00 179.45 176.86 1py2 h LYS 9 N 0.61 0.99 -0.62 1.90 3.64 -1.99 -2.34 116.57 118.76 1py2 h LYS 9 Ca 0.02 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 58.97 1py2 h LYS 9 Cb 1.12 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1py2 h LYS 9 CO 0.11 1.04 0.14 1.15 -2.27 0.00 0.00 179.45 179.62 1py2 h THR 10 N 0.88 1.25 -0.53 1.00 2.02 -1.59 -1.81 112.91 114.14 1py2 h THR 10 Ca 0.14 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1py2 h THR 10 Cb 0.67 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1py2 h THR 10 CO 0.05 0.35 0.29 -0.61 0.37 0.00 0.00 175.52 175.97 1py2 h GLN 11 N 0.91 0.74 -0.01 6.66 4.15 -1.37 -1.56 115.11 124.64 1py2 h GLN 11 Ca 0.19 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 1py2 h GLN 11 Cb 0.37 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1py2 h GLN 11 CO 0.00 0.57 -0.53 -0.07 -1.93 0.00 0.00 178.83 176.87 1py2 h LEU 12 N 0.71 0.02 -0.16 -2.39 3.38 -1.33 -1.88 115.31 113.66 1py2 h LEU 12 Ca 0.19 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1py2 h LEU 12 Cb 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1py2 h LEU 12 CO -0.03 0.55 -0.25 1.56 0.09 0.00 0.00 178.44 180.37 1py2 h GLN 13 N 0.02 0.45 -0.25 1.13 4.20 -1.10 -2.44 115.11 117.11 1py2 h GLN 13 Ca -0.00 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.31 1py2 h GLN 13 Cb 0.95 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1py2 h GLN 13 CO 0.07 0.86 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.65 1py2 h LEU 14 N 0.07 0.58 -0.99 1.46 3.38 -1.24 -0.78 115.31 117.79 1py2 h LEU 14 Ca 0.01 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1py2 h LEU 14 Cb 0.82 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1py2 h LEU 14 CO 0.06 0.90 -0.34 -0.33 0.09 0.00 0.00 178.44 178.81 1py2 h GLU 15 N 0.46 0.30 -0.00 1.13 5.08 -1.39 -0.03 114.58 120.13 1py2 h GLU 15 Ca 0.05 -0.13 -0.25 0.00 -1.00 0.00 0.00 59.36 58.03 1py2 h GLU 15 Cb 0.85 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.11 1py2 h GLU 15 CO 0.07 0.61 -1.01 1.25 -1.00 0.00 0.00 179.01 178.94 1py2 h HIS 16 N 0.26 0.89 -0.61 4.33 2.76 -1.22 -2.22 115.15 119.34 1py2 h HIS 16 Ca 0.03 -0.48 -0.09 0.00 -2.20 0.00 0.00 60.37 57.63 1py2 h HIS 16 Cb 0.73 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 1py2 h HIS 16 CO 0.02 1.31 0.04 1.25 -1.30 0.00 0.00 177.93 179.25 1py2 h LEU 17 N 0.34 1.02 -0.76 0.26 5.85 -1.02 -0.45 115.31 120.54 1py2 h LEU 17 Ca -0.11 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1py2 h LEU 17 Cb 1.65 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1py2 h LEU 17 CO 0.19 1.06 0.34 0.25 -0.34 0.00 0.00 178.44 179.94 1py2 h LEU 18 N 0.95 1.02 -0.63 2.25 5.85 -1.03 -2.41 115.31 121.30 1py2 h LEU 18 Ca 0.18 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 1py2 h LEU 18 Cb 0.51 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1py2 h LEU 18 CO 0.02 0.88 -0.29 0.25 -0.34 0.00 0.00 178.44 178.97 1py2 h LEU 19 N 1.08 0.79 -0.35 2.25 5.85 -1.21 -2.20 115.31 121.51 1py2 h LEU 19 Ca 0.26 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1py2 h LEU 19 Cb 0.16 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1py2 h LEU 19 CO -0.03 1.03 0.18 0.44 -0.34 0.00 0.00 178.44 179.72 1py2 h ASP 20 N 0.65 0.44 0.27 1.25 5.19 -0.87 -0.98 116.42 122.38 1py2 h ASP 20 Ca 0.08 -0.10 -0.13 0.00 -0.62 0.00 0.00 57.03 56.25 1py2 h ASP 20 Cb 0.81 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 1py2 h ASP 20 CO 0.07 0.41 -0.53 -0.07 -3.12 0.00 0.00 179.24 176.01 1py2 h LEU 21 N 0.43 0.31 -1.25 1.55 3.38 -1.45 -2.85 115.31 115.44 1py2 h LEU 21 Ca 0.12 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1py2 h LEU 21 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1py2 h LEU 21 CO -0.02 0.78 -0.32 1.56 0.09 0.00 0.00 178.44 180.53 1py2 h GLN 22 N 0.22 0.00 -0.18 1.13 4.20 -1.14 -1.75 115.11 117.59 1py2 h GLN 22 Ca 0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 1py2 h GLN 22 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1py2 h GLN 22 CO 0.08 0.32 -0.55 0.52 -0.67 0.00 0.00 178.83 178.53 1py2 h MET 23 N 0.00 0.54 -0.12 1.46 2.86 -0.95 -2.42 114.93 116.29 1py2 h MET 23 Ca -0.00 -0.34 -0.17 0.00 -2.06 0.00 0.00 59.70 57.13 1py2 h MET 23 Cb 0.70 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.41 1py2 h MET 23 CO 0.04 0.94 -0.59 0.82 1.06 0.00 0.00 176.91 179.18 1py2 h ILE 24 N 0.41 1.34 -0.49 -1.22 2.04 -1.34 -2.81 117.51 115.44 1py2 h ILE 24 Ca 0.01 -1.87 -0.06 0.00 1.00 0.00 0.00 64.86 63.93 1py2 h ILE 24 Cb 1.09 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 1py2 h ILE 24 CO 0.10 0.57 0.05 0.25 0.00 0.00 0.00 178.15 179.12 1py2 h LEU 25 N 0.26 0.74 -0.74 1.44 5.85 -1.37 -1.70 115.31 119.79 1py2 h LEU 25 Ca -0.04 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 1py2 h LEU 25 Cb 1.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1py2 h LEU 25 CO 0.12 0.78 -0.40 -1.13 -0.34 0.00 0.00 178.44 177.47 1py2 h ASN 26 N 0.74 0.52 0.21 1.25 -1.24 -1.48 -2.19 115.58 113.38 1py2 h ASN 26 Ca 0.15 -0.23 -0.14 0.00 0.71 0.00 0.00 56.30 56.79 1py2 h ASN 26 Cb 0.38 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 1py2 h ASN 26 CO 0.01 0.86 -0.54 1.23 -1.29 0.00 0.00 177.43 177.71 1py2 h GLY 27 N 1.10 0.39 1.20 1.57 0.00 -1.22 -2.84 103.07 103.27 1py2 h GLY 27 Ca 0.04 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 1py2 h GLY 27 CO 0.07 0.40 -0.51 -2.22 0.00 0.00 0.00 176.54 174.29 1py2 h ILE 28 N 0.28 1.28 0.00 2.60 2.04 -1.22 -2.94 117.51 119.55 1py2 h ILE 28 Ca 0.01 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1py2 h ILE 28 Cb 1.03 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1py2 h ILE 28 CO 0.09 0.55 0.00 -1.13 0.00 0.00 0.00 178.15 177.66 1py2 h ASN 29 N 0.66 0.00 0.47 1.72 -1.24 -1.37 -2.59 115.58 113.23 1py2 h ASN 29 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1py2 h ASN 29 Cb 1.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.15 1py2 h ASN 29 CO 0.11 0.00 -0.12 -3.20 -1.29 0.00 0.00 177.43 172.93 1py2 n ASN 30 N -2.66 0.37 -4.82 1.15 2.85 -1.08 -4.90 115.26 106.18 1py2 n ASN 30 Ca 0.01 -0.38 -0.33 0.00 -0.11 0.00 0.00 54.58 53.77 1py2 n ASN 30 Cb 0.23 -0.12 -0.03 0.00 1.24 0.00 0.00 39.78 41.10 1py2 n ASN 30 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1py2 s TYR 31 N -2.59 3.22 0.82 1.20 2.02 -0.98 -5.06 117.35 115.99 1py2 s TYR 31 Ca 0.26 1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 58.37 1py2 s TYR 31 Cb 0.20 -2.91 0.08 0.00 -0.40 0.00 0.00 41.96 38.93 1py2 s TYR 31 CO 0.50 -0.60 1.09 0.15 -1.57 0.00 0.00 175.55 175.12 1py2 s LYS 32 N -3.75 1.91 0.17 -0.62 1.02 -1.26 -4.79 119.74 112.43 1py2 s LYS 32 Ca 0.62 0.95 -0.15 0.00 0.02 0.00 0.00 55.97 57.41 1py2 s LYS 32 Cb -0.13 -1.87 0.13 0.00 -0.52 0.00 0.00 37.83 35.44 1py2 s LYS 32 CO 0.27 -1.82 1.70 -0.97 -0.92 0.00 0.00 175.35 173.61 1py2 h ASN 33 N -1.25 -0.13 -0.62 2.83 -0.73 -1.99 -1.11 115.58 112.58 1py2 h ASN 33 Ca -0.46 0.09 -0.04 0.00 1.87 0.00 0.00 56.30 57.76 1py2 h ASN 33 Cb 1.25 0.16 -0.03 0.00 0.27 0.00 0.00 38.32 39.97 1py2 h ASN 33 CO 0.54 -0.03 0.23 -0.65 -0.37 0.00 0.00 177.43 177.16 1py2 h PRO 34 N 0.13 0.98 -0.28 6.67 0.11 -2.00 -1.96 132.00 135.64 1py2 h PRO 34 Ca 0.21 -0.17 -0.13 0.00 0.11 0.00 0.00 66.00 66.02 1py2 h PRO 34 Cb 0.29 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1py2 h PRO 34 CO -0.33 0.82 -0.35 -0.22 -0.21 0.00 0.00 178.00 177.71 1py2 h LYS 35 N 0.95 0.63 -0.21 1.05 3.64 -1.83 -2.89 116.57 117.91 1py2 h LYS 35 Ca 0.22 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1py2 h LYS 35 Cb 0.22 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1py2 h LYS 35 CO -0.01 0.88 -0.19 1.25 -2.27 0.00 0.00 179.45 179.11 1py2 h LEU 36 N 0.53 0.52 -0.84 5.20 5.85 -1.00 -2.57 115.31 123.00 1py2 h LEU 36 Ca 0.06 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1py2 h LEU 36 Cb 0.85 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1py2 h LEU 36 CO 0.07 0.88 0.54 0.74 -0.34 0.00 0.00 178.44 180.34 1py2 h THR 37 N 0.17 1.15 0.00 1.05 2.02 -1.37 -1.62 112.91 114.30 1py2 h THR 37 Ca 0.04 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 1py2 h THR 37 Cb 0.73 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1py2 h THR 37 CO 0.05 0.19 -0.28 -0.09 0.37 0.00 0.00 175.52 175.76 1py2 h ARG 38 N 1.07 0.00 -0.04 6.66 9.65 -1.52 -2.92 114.38 127.27 1py2 h ARG 38 Ca 0.33 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 59.05 1py2 h ARG 38 Cb -0.02 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1py2 h ARG 38 CO -0.11 0.28 -0.70 1.98 2.80 0.00 0.00 179.97 184.23 1py2 h MET 39 N 0.00 0.22 0.00 0.20 4.05 -0.89 -3.22 114.93 115.29 1py2 h MET 39 Ca -0.00 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1py2 h MET 39 Cb 0.76 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 1py2 h MET 39 CO 0.04 0.83 0.00 -0.07 0.23 0.00 0.00 176.91 177.94 1py2 h LEU 40 N 0.15 0.00 -0.55 3.39 3.38 -1.20 -2.65 115.31 117.84 1py2 h LEU 40 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1py2 h LEU 40 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1py2 h LEU 40 CO 0.11 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.35 1py2 h THR 41 N 0.00 0.00 -3.36 0.22 1.35 -1.62 -3.42 112.91 106.08 1py2 h THR 41 Ca 0.00 -0.33 -0.58 0.00 -0.55 0.00 0.00 66.41 64.95 1py2 h THR 41 Cb 0.43 1.15 -0.07 0.00 -1.73 0.00 0.00 68.15 67.94 1py2 h THR 41 CO 0.00 0.00 0.79 0.12 -0.25 0.00 0.00 175.52 176.18 1py2 s PHE 42 N -3.28 3.13 -0.12 4.73 2.19 -1.00 -5.03 117.98 118.60 1py2 s PHE 42 Ca 0.06 1.10 -0.09 0.00 0.33 0.00 0.00 56.93 58.33 1py2 s PHE 42 Cb 0.10 -3.68 -0.04 0.00 -1.31 0.00 0.00 43.02 38.08 1py2 s PHE 42 CO 0.46 -0.78 0.18 0.15 1.83 0.00 0.00 175.22 177.06 1py2 s LYS 43 N 3.61 3.66 0.04 10.12 -0.14 -1.26 -4.19 119.74 131.58 1py2 s LYS 43 Ca 0.44 -0.07 0.07 0.00 -1.36 0.00 0.00 55.97 55.05 1py2 s LYS 43 Cb -0.12 -3.24 -0.03 0.00 -1.68 0.00 0.00 37.83 32.75 1py2 s LYS 43 CO 0.16 0.66 -0.18 -0.06 -0.76 0.00 0.00 175.35 175.17 1py2 s PHE 44 N -0.72 2.56 0.31 3.18 0.08 0.11 -4.93 117.98 118.57 1py2 s PHE 44 Ca 0.15 -0.25 -0.27 0.00 0.12 0.00 0.00 56.93 56.67 1py2 s PHE 44 Cb -0.12 -1.46 -0.09 0.00 -0.57 0.00 0.00 43.02 40.77 1py2 s PHE 44 CO 0.04 0.26 1.00 0.71 -0.10 0.00 0.00 175.22 177.12 1py2 s TYR 45 N -0.93 3.67 0.05 0.36 2.02 -1.26 -1.28 117.35 119.98 1py2 s TYR 45 Ca 0.15 1.78 0.07 0.00 -0.37 0.00 0.00 57.07 58.69 1py2 s TYR 45 Cb -0.10 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.37 1py2 s TYR 45 CO 0.05 -0.04 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.20 1py2 s MET 46 N -1.77 2.13 0.45 -0.62 -1.94 -1.26 -4.92 119.30 111.36 1py2 s MET 46 Ca 0.48 -0.97 -0.21 0.00 -1.71 0.00 0.00 55.69 53.28 1py2 s MET 46 Cb -0.24 -2.25 -0.09 0.00 2.01 0.00 0.00 34.83 34.26 1py2 s MET 46 CO 0.30 0.54 1.02 -1.25 -0.01 0.00 0.00 175.02 175.62 1py2 s PRO 47 N -1.61 3.99 0.09 2.03 0.04 -1.26 0.17 135.00 138.45 1py2 s PRO 47 Ca 0.16 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 1py2 s PRO 47 Cb -0.11 -2.22 -0.22 0.00 0.04 0.00 0.00 34.50 31.99 1py2 s PRO 47 CO 0.07 -0.27 1.19 0.87 0.04 0.00 0.00 177.00 178.90 1py2 h LYS 48 N 1.87 0.36 -3.62 4.56 1.57 -1.68 -3.39 116.57 116.25 1py2 h LYS 48 Ca -0.49 -0.52 -0.32 0.00 -1.87 0.00 0.00 60.65 57.46 1py2 h LYS 48 Cb 1.21 0.18 -0.34 0.00 0.08 0.00 0.00 32.23 33.36 1py2 h LYS 48 CO 0.60 1.21 -0.74 0.21 -0.57 0.00 0.00 179.45 180.16 1py2 s LYS 49 N -2.89 0.11 -0.39 3.15 2.20 -1.26 -4.99 119.74 115.65 1py2 s LYS 49 Ca -0.05 0.13 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 1py2 s LYS 49 Cb 0.07 -0.34 0.14 0.00 -1.51 0.00 0.00 37.83 36.20 1py2 s LYS 49 CO 0.89 -0.15 0.24 0.00 -0.36 0.00 0.00 175.35 175.97 1py2 s ALA 50 N 1.00 1.43 0.00 3.13 0.00 -1.26 -4.87 121.76 121.19 1py2 s ALA 50 Ca -0.09 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 49.66 1py2 s ALA 50 Cb -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1py2 s ALA 50 CO -0.02 -2.08 0.00 0.25 0.00 0.00 0.00 175.76 173.91 1py2 n THR 51 N 3.68 0.00 -3.77 0.00 -2.24 -1.26 -4.94 114.28 105.76 1py2 n THR 51 Ca 0.13 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.69 1py2 n THR 51 Cb 0.38 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1py2 n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1py2 s GLU 52 N -1.20 2.41 0.45 -0.78 0.41 -1.26 -4.91 118.70 113.82 1py2 s GLU 52 Ca 0.00 -1.68 0.25 0.00 -0.41 0.00 0.00 54.97 53.13 1py2 s GLU 52 Cb 0.00 -2.23 0.92 0.00 -1.78 0.00 0.00 34.13 31.04 1py2 s GLU 52 CO 0.00 -0.21 1.82 -0.07 -0.49 0.00 0.00 175.26 176.31 1py2 h LEU 53 N 1.12 0.00 -1.28 1.80 3.38 -2.00 -3.05 115.31 115.29 1py2 h LEU 53 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1py2 h LEU 53 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1py2 h LEU 53 CO 0.61 0.19 0.00 0.07 0.09 0.00 0.00 178.44 179.40 1py2 h LYS 54 N 0.00 0.00 0.00 1.13 2.10 -1.89 -2.93 116.57 114.99 1py2 h LYS 54 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1py2 h LYS 54 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1py2 h LYS 54 CO 0.02 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.19 1py2 n HIS 55 N -2.98 0.00 1.31 0.07 8.25 -1.15 -3.32 115.22 117.39 1py2 n HIS 55 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 1py2 n HIS 55 Cb 0.31 0.00 0.65 0.00 1.12 0.00 0.00 29.99 32.07 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 -0.86 0.00 0.17 2.41 4.77 -1.11 -2.90 117.00 119.48 1py2 n LEU 56 Ca 0.15 0.12 0.02 0.00 -0.03 0.00 0.00 56.01 56.27 1py2 n LEU 56 Cb 0.07 -0.12 0.35 0.00 -2.33 0.00 0.00 43.42 41.38 1py2 n LEU 56 CO 0.11 -0.03 0.73 -0.61 -1.33 0.00 0.00 177.39 176.26 1py2 h GLN 57 N 0.00 0.05 -0.06 3.23 5.75 -1.84 -2.04 115.11 120.21 1py2 h GLN 57 Ca 0.00 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 1py2 h GLN 57 Cb 0.09 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1py2 h GLN 57 CO 0.00 0.40 -0.45 0.00 -2.65 0.00 0.00 178.83 176.13 1py2 h LEU 59 N 0.11 0.82 -0.70 0.00 5.85 -1.70 -3.09 115.31 116.59 1py2 h LEU 59 Ca 0.01 -0.80 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 1py2 h LEU 59 Cb 0.84 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1py2 h LEU 59 CO 0.06 1.53 0.39 -0.08 -0.34 0.00 0.00 178.44 180.01 1py2 h GLU 60 N 0.21 0.98 0.00 1.25 4.81 -1.25 -2.28 114.58 118.29 1py2 h GLU 60 Ca -0.16 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1py2 h GLU 60 Cb 1.76 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 1py2 h GLU 60 CO 0.21 0.72 -0.35 0.93 -0.73 0.00 0.00 179.01 179.79 1py2 h GLU 61 N 0.97 0.00 -0.48 1.92 5.08 -1.35 -2.87 114.58 117.85 1py2 h GLU 61 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1py2 h GLU 61 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1py2 h GLU 61 CO -0.04 0.35 0.00 0.39 -1.00 0.00 0.00 179.01 178.71 1py2 n GLU 62 N -3.63 2.30 0.18 2.33 -0.58 -1.02 -4.30 120.64 115.92 1py2 n GLU 62 Ca -0.01 -2.00 0.07 0.00 -0.42 0.00 0.00 57.16 54.81 1py2 n GLU 62 Cb 0.47 -1.46 0.17 0.00 -0.57 0.00 0.00 31.44 30.05 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 3.48 0.00 0.06 -4.62 3.38 -1.18 -2.80 115.31 113.63 1py2 h LEU 63 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1py2 h LEU 63 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1py2 h LEU 63 CO 0.00 0.28 -0.03 0.11 0.09 0.00 0.00 178.44 178.89 1py2 h LYS 64 N 0.00 -0.08 -0.23 1.13 1.79 -1.78 -2.55 116.57 114.86 1py2 h LYS 64 Ca -0.00 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1py2 h LYS 64 Cb 1.12 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1py2 h LYS 64 CO 0.04 0.38 0.15 -1.35 -1.08 0.00 0.00 179.45 177.59 1py2 h PRO 65 N -0.58 0.22 -0.65 3.15 0.11 -1.85 -0.26 132.00 132.14 1py2 h PRO 65 Ca -0.01 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 1py2 h PRO 65 Cb 0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1py2 h PRO 65 CO 0.01 0.14 0.07 1.25 -0.21 0.00 0.00 178.00 179.27 1py2 h LEU 66 N 0.22 1.06 -0.75 2.35 5.85 -1.50 -1.77 115.31 120.77 1py2 h LEU 66 Ca 0.09 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 1py2 h LEU 66 Cb 0.10 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1py2 h LEU 66 CO -0.02 1.06 -0.40 -0.08 -0.34 0.00 0.00 178.44 178.66 1py2 h GLU 67 N 1.01 0.47 -0.26 1.25 4.81 -1.00 -2.75 114.58 118.11 1py2 h GLU 67 Ca 0.19 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1py2 h GLU 67 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1py2 h GLU 67 CO 0.02 0.80 0.10 1.49 -0.73 0.00 0.00 179.01 180.68 1py2 h GLU 68 N 0.39 0.39 -0.11 1.92 4.81 -0.71 -2.09 114.58 119.19 1py2 h GLU 68 Ca 0.03 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 58.99 1py2 h GLU 68 Cb 0.88 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1py2 h GLU 68 CO 0.07 0.43 -0.75 -0.24 -0.73 0.00 0.00 179.01 177.79 1py2 h VAL 69 N 0.27 1.34 0.00 0.32 3.04 -1.38 -2.92 116.25 116.92 1py2 h VAL 69 Ca 0.09 -2.08 -0.07 0.00 -1.01 0.00 0.00 66.70 63.63 1py2 h VAL 69 Cb 0.19 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 1py2 h VAL 69 CO -0.01 0.64 -0.34 -0.07 -1.01 0.00 0.00 177.57 176.78 1py2 h LEU 70 N 0.38 0.00 -0.72 3.16 3.38 -1.49 -1.01 115.31 119.01 1py2 h LEU 70 Ca -0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1py2 h LEU 70 Cb 1.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 1py2 h LEU 70 CO 0.14 0.34 -0.62 0.78 0.09 0.00 0.00 178.44 179.17 1py2 h ASN 71 N 0.00 0.00 0.56 -0.43 4.21 -1.32 -2.93 115.58 115.67 1py2 h ASN 71 Ca -0.00 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.32 1py2 h ASN 71 Cb 0.70 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 1py2 h ASN 71 CO 0.04 0.62 -0.85 -0.07 -1.29 0.00 0.00 177.43 175.89 1py2 h LEU 72 N 0.00 0.26 -1.17 1.61 3.38 -1.23 -3.28 115.31 114.88 1py2 h LEU 72 Ca -0.01 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1py2 h LEU 72 Cb 1.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1py2 h LEU 72 CO 0.08 0.99 -0.41 0.00 0.09 0.00 0.00 178.44 179.19 1py2 h ALA 73 N 1.00 1.32 -3.00 1.53 0.00 -1.10 -3.52 119.26 115.49 1py2 h ALA 73 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1py2 h ALA 73 Cb 1.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1py2 h ALA 73 CO 0.13 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1py2 n GLN 74 N -4.05 1.88 -4.01 0.00 10.64 -1.11 -5.10 117.38 115.63 1py2 n GLN 74 Ca -0.02 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.80 1py2 n GLN 74 Cb 0.44 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.71 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 0.00 3.83 0.31 2.61 3.52 -1.26 -5.14 118.95 122.81 1py2 s ARG 81 Ca 0.00 -0.42 0.04 0.00 -0.13 0.00 0.00 55.73 55.22 1py2 s ARG 81 Cb 0.00 -3.19 0.51 0.00 -1.56 0.00 0.00 34.95 30.71 1py2 s ARG 81 CO 0.00 0.13 1.79 -1.35 -0.81 0.00 0.00 175.30 175.06 1py2 h PRO 82 N 7.16 0.46 -0.62 5.12 0.11 -1.97 -2.83 132.00 139.43 1py2 h PRO 82 Ca -0.36 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1py2 h PRO 82 Cb 1.17 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1py2 h PRO 82 CO 0.65 0.61 0.30 -0.09 -0.21 0.00 0.00 178.00 179.26 1py2 h ARG 83 N 0.42 0.90 0.00 1.05 2.43 -1.97 -2.40 114.38 114.81 1py2 h ARG 83 Ca 0.07 -0.13 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 1py2 h ARG 83 Cb 0.53 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1py2 h ARG 83 CO 0.03 0.72 -0.99 -0.44 -1.51 0.00 0.00 179.97 177.78 1py2 h ASP 84 N 0.86 0.00 -0.01 -3.80 3.32 -1.99 -3.12 116.42 111.67 1py2 h ASP 84 Ca 0.21 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.04 1py2 h ASP 84 Cb 0.12 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1py2 h ASP 84 CO -0.03 0.75 -0.83 0.25 -1.72 0.00 0.00 179.24 177.67 1py2 h LEU 85 N 0.00 0.82 -0.66 1.55 5.85 -1.45 -2.44 115.31 118.99 1py2 h LEU 85 Ca -0.07 -0.57 -0.13 0.00 0.84 0.00 0.00 57.88 57.95 1py2 h LEU 85 Cb 1.64 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1py2 h LEU 85 CO 0.09 1.36 -0.34 0.40 -0.34 0.00 0.00 178.44 179.61 1py2 h ILE 86 N 0.45 1.28 -0.67 4.05 1.08 -1.55 -2.21 117.51 119.95 1py2 h ILE 86 Ca -0.06 -1.48 -0.03 0.00 -0.39 0.00 0.00 64.86 62.90 1py2 h ILE 86 Cb 1.45 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 36.58 1py2 h ILE 86 CO 0.16 0.48 0.29 -1.28 -0.69 0.00 0.00 178.15 177.11 1py2 h SER 87 N 0.56 0.88 0.46 1.72 0.87 -1.52 -0.31 113.55 116.20 1py2 h SER 87 Ca 0.06 -0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.36 1py2 h SER 87 Cb 0.85 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1py2 h SER 87 CO 0.07 0.77 -0.66 0.78 -0.53 0.00 0.00 176.83 177.26 1py2 h ASN 88 N 0.95 0.21 -0.11 6.23 2.35 -1.25 -2.26 115.58 121.70 1py2 h ASN 88 Ca 0.23 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1py2 h ASN 88 Cb 0.15 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1py2 h ASN 88 CO -0.02 0.81 -0.04 0.40 -1.65 0.00 0.00 177.43 176.93 1py2 h ILE 89 N 0.13 1.30 -0.74 2.81 2.04 -1.13 -3.07 117.51 118.85 1py2 h ILE 89 Ca -0.01 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1py2 h ILE 89 Cb 1.19 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 38.95 1py2 h ILE 89 CO 0.10 0.29 0.43 -1.13 0.00 0.00 0.00 178.15 177.84 1py2 h ASN 90 N -0.12 0.65 -0.49 1.72 -0.73 -1.00 -0.54 115.58 115.07 1py2 h ASN 90 Ca 0.03 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 1py2 h ASN 90 Cb 0.47 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 1py2 h ASN 90 CO 0.01 0.41 0.26 0.58 -0.37 0.00 0.00 177.43 178.32 1py2 h VAL 91 N 0.78 1.18 -0.07 2.57 2.07 -1.48 -1.29 116.25 120.01 1py2 h VAL 91 Ca 0.33 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1py2 h VAL 91 Cb 0.21 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1py2 h VAL 91 CO -0.19 0.19 0.03 0.40 0.02 0.00 0.00 177.57 178.03 1py2 h ILE 92 N 0.65 1.12 -0.48 4.57 1.08 -1.33 -2.38 117.51 120.74 1py2 h ILE 92 Ca 0.17 -0.36 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 1py2 h ILE 92 Cb 0.08 1.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.01 1py2 h ILE 92 CO -0.03 0.10 0.23 0.58 -0.69 0.00 0.00 178.15 178.35 1py2 h VAL 93 N -0.02 0.94 0.00 1.67 2.07 -1.01 -1.69 116.25 118.21 1py2 h VAL 93 Ca 0.02 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1py2 h VAL 93 Cb 0.14 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1py2 h VAL 93 CO -0.00 0.08 -0.12 -0.07 0.02 0.00 0.00 177.57 177.48 1py2 h LEU 94 N 0.46 0.00 -0.23 2.57 3.38 -1.18 -1.05 115.31 119.26 1py2 h LEU 94 Ca 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 1py2 h LEU 94 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1py2 h LEU 94 CO -0.16 0.12 -0.90 -0.08 0.09 0.00 0.00 178.44 177.51 1py2 h GLU 95 N 0.00 0.35 0.07 1.13 4.81 -0.81 -2.92 114.58 117.21 1py2 h GLU 95 Ca -0.00 -0.37 -0.15 0.00 -0.13 0.00 0.00 59.36 58.71 1py2 h GLU 95 Cb 0.24 0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.74 1py2 h GLU 95 CO 0.02 1.05 -0.64 -0.07 -0.73 0.00 0.00 179.01 178.64 1py2 h LEU 96 N 0.20 0.44 -0.50 1.64 3.38 -0.69 -3.32 115.31 116.47 1py2 h LEU 96 Ca -0.06 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 57.03 1py2 h LEU 96 Cb 1.52 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1py2 h LEU 96 CO 0.15 1.27 -0.04 0.07 0.09 0.00 0.00 178.44 179.98 1py2 h LYS 97 N -0.32 0.00 0.00 1.13 2.10 -1.36 -3.46 116.57 114.66 1py2 h LYS 97 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1py2 h LYS 97 Cb 1.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 1py2 h LYS 97 CO 0.12 0.04 0.00 0.41 -2.00 0.00 0.00 179.45 178.02 1py2 n GLY 98 N 0.74 0.39 1.49 0.07 0.00 -1.10 -4.65 105.19 102.12 1py2 n GLY 98 Ca 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1py2 n GLY 98 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1py2 n GLU 100 N 0.00 0.00 -3.91 1.61 1.02 -1.26 -4.93 120.64 113.18 1py2 n GLU 100 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1py2 n GLU 100 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1py2 n GLU 100 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1py2 s THR 101 N -0.41 5.43 -0.18 2.62 2.01 -1.26 -5.10 115.64 118.75 1py2 s THR 101 Ca 0.00 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.97 1py2 s THR 101 Cb 0.00 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 69.05 1py2 s THR 101 CO 0.00 0.44 -0.15 0.42 -0.69 0.00 0.00 174.62 174.64 1py2 s THR 102 N -1.20 2.58 -0.15 -0.82 -4.23 -1.26 -5.11 115.64 105.45 1py2 s THR 102 Ca 0.22 -0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1py2 s THR 102 Cb -0.12 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.64 1py2 s THR 102 CO 0.13 0.51 -0.09 0.12 -0.54 0.00 0.00 174.62 174.75 1py2 s PHE 103 N 1.13 1.81 -0.79 3.99 5.36 -1.26 -5.08 117.98 123.14 1py2 s PHE 103 Ca 0.01 -1.05 -0.26 0.00 -0.96 0.00 0.00 56.93 54.67 1py2 s PHE 103 Cb -0.14 -1.39 0.02 0.00 -0.34 0.00 0.00 43.02 41.17 1py2 s PHE 103 CO -0.05 -0.61 1.47 1.41 -1.46 0.00 0.00 175.22 175.98 1py2 s MET 104 N 1.60 3.13 0.04 10.12 -2.45 -1.26 -4.97 119.30 125.51 1py2 s MET 104 Ca 0.03 -0.29 -0.30 0.00 -1.25 0.00 0.00 55.69 53.88 1py2 s MET 104 Cb -0.14 -4.54 -0.07 0.00 1.25 0.00 0.00 34.83 31.33 1py2 s MET 104 CO -0.09 -2.36 1.54 0.00 1.05 0.00 0.00 175.02 175.16 1py2 s GLU 106 N 2.51 4.18 0.02 0.00 2.02 -1.26 -5.04 118.70 121.13 1py2 s GLU 106 Ca 0.69 0.47 0.01 0.00 0.02 0.00 0.00 54.97 56.16 1py2 s GLU 106 Cb -0.36 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1py2 s GLU 106 CO 0.30 0.40 0.07 0.71 0.02 0.00 0.00 175.26 176.76 1py2 s TYR 107 N -0.17 3.24 0.53 1.61 2.02 -1.26 -2.01 117.35 121.30 1py2 s TYR 107 Ca 0.25 0.16 -0.20 0.00 -0.37 0.00 0.00 57.07 56.91 1py2 s TYR 107 Cb -0.16 -1.70 -0.06 0.00 -0.40 0.00 0.00 41.96 39.64 1py2 s TYR 107 CO 0.12 0.53 1.13 0.00 -1.57 0.00 0.00 175.55 175.77 1py2 s ALA 108 N -1.24 2.75 0.24 3.71 0.00 0.13 -4.69 121.76 122.66 1py2 s ALA 108 Ca 0.25 0.84 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 1py2 s ALA 108 Cb -0.12 -3.36 0.27 0.00 0.00 0.00 0.00 23.12 19.91 1py2 s ALA 108 CO 0.16 -0.74 1.77 -0.44 0.00 0.00 0.00 175.76 176.51 1py2 h ASP 109 N 1.37 0.89 -3.36 0.00 5.19 -1.97 -3.43 116.42 115.11 1py2 h ASP 109 Ca -0.50 -0.18 -0.56 0.00 -0.62 0.00 0.00 57.03 55.17 1py2 h ASP 109 Cb 1.26 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 1py2 h ASP 109 CO 0.58 0.88 0.11 -1.61 -3.12 0.00 0.00 179.24 176.08 1py2 s GLU 110 N -5.20 4.43 0.25 3.56 0.41 -1.26 -5.07 118.70 115.82 1py2 s GLU 110 Ca -0.11 0.89 -0.05 0.00 -0.41 0.00 0.00 54.97 55.29 1py2 s GLU 110 Cb 0.15 -3.46 -0.05 0.00 -1.78 0.00 0.00 34.13 28.99 1py2 s GLU 110 CO 0.82 0.04 0.51 0.95 -0.49 0.00 0.00 175.26 177.09 1py2 s THR 111 N 0.90 5.05 0.35 3.63 -4.23 -1.26 -4.49 115.64 115.58 1py2 s THR 111 Ca 0.38 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 1py2 s THR 111 Cb -0.18 -3.70 -0.07 0.00 1.34 0.00 0.00 72.50 69.90 1py2 s THR 111 CO 0.18 -0.21 0.04 0.00 -0.54 0.00 0.00 174.62 174.09 1py2 s ALA 112 N -1.95 2.60 0.81 3.99 0.00 -0.41 -4.89 121.76 121.91 1py2 s ALA 112 Ca 0.44 -2.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.15 1py2 s ALA 112 Cb -0.11 0.52 0.10 0.00 0.00 0.00 0.00 23.12 23.63 1py2 s ALA 112 CO 0.27 -0.25 1.16 0.95 0.00 0.00 0.00 175.76 177.89 1py2 s THR 113 N -3.12 2.08 0.36 0.00 -4.23 -1.26 0.10 115.64 109.57 1py2 s THR 113 Ca 0.36 -0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 1py2 s THR 113 Cb 0.09 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.22 1py2 s THR 113 CO 0.16 0.00 2.01 -0.29 -0.54 0.00 0.00 174.62 175.96 1py2 h ILE 114 N -1.04 1.12 -0.19 2.99 2.10 -1.85 0.02 117.51 120.65 1py2 h ILE 114 Ca -0.45 -0.27 -0.02 0.00 1.08 0.00 0.00 64.86 65.20 1py2 h ILE 114 Cb 1.30 0.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 1py2 h ILE 114 CO 0.57 0.14 0.03 0.58 -1.08 0.00 0.00 178.15 178.40 1py2 h VAL 115 N 0.78 1.22 -0.35 2.19 2.07 -1.96 -0.40 116.25 119.80 1py2 h VAL 115 Ca 0.24 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 1py2 h VAL 115 Cb -0.01 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1py2 h VAL 115 CO -0.06 0.22 -0.17 -0.33 0.02 0.00 0.00 177.57 177.25 1py2 h GLU 116 N 0.11 0.65 0.06 1.57 5.08 -1.85 -1.76 114.58 118.44 1py2 h GLU 116 Ca 0.06 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1py2 h GLU 116 Cb 0.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1py2 h GLU 116 CO 0.00 0.79 -0.03 0.35 -1.00 0.00 0.00 179.01 179.13 1py2 h PHE 117 N 0.58 -0.07 -0.39 4.33 3.57 -0.81 -2.59 116.94 121.56 1py2 h PHE 117 Ca 0.09 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1py2 h PHE 117 Cb 0.63 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1py2 h PHE 117 CO 0.03 0.12 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.04 1py2 h LEU 118 N -0.25 0.67 -0.83 0.59 3.38 -1.04 -3.05 115.31 114.77 1py2 h LEU 118 Ca -0.01 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1py2 h LEU 118 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1py2 h LEU 118 CO 0.01 0.80 -0.33 0.78 0.09 0.00 0.00 178.44 179.80 1py2 h ASN 119 N 0.62 0.50 0.44 -0.43 2.35 -1.27 -0.45 115.58 117.34 1py2 h ASN 119 Ca 0.11 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.53 1py2 h ASN 119 Cb 0.55 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1py2 h ASN 119 CO 0.03 0.80 -0.57 -0.09 -1.65 0.00 0.00 177.43 175.96 1py2 h ARG 120 N 0.42 0.14 0.00 0.81 2.43 -1.42 -1.69 114.38 115.07 1py2 h ARG 120 Ca 0.05 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1py2 h ARG 120 Cb 0.78 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1py2 h ARG 120 CO 0.06 0.67 -0.64 -1.49 -1.51 0.00 0.00 179.97 177.06 1py2 h TRP 121 N 0.11 0.00 -0.12 2.20 4.06 -1.40 -1.74 115.95 119.05 1py2 h TRP 121 Ca -0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 1py2 h TRP 121 Cb 1.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.20 1py2 h TRP 121 CO 0.01 0.33 -0.23 0.82 -3.56 0.00 0.00 178.44 175.81 1py2 h ILE 122 N 0.00 1.38 -0.48 1.49 2.04 -1.03 -2.58 117.51 118.32 1py2 h ILE 122 Ca -0.03 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 1py2 h ILE 122 Cb 1.28 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 1py2 h ILE 122 CO 0.04 0.44 0.30 0.74 0.00 0.00 0.00 178.15 179.66 1py2 h THR 123 N -0.04 1.13 -0.09 -0.27 2.02 -1.32 -2.26 112.91 112.08 1py2 h THR 123 Ca 0.01 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1py2 h THR 123 Cb 0.81 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1py2 h THR 123 CO 0.05 0.14 0.02 0.15 0.37 0.00 0.00 175.52 176.25 1py2 h PHE 124 N 0.66 0.16 -0.87 3.16 3.57 -1.31 -2.96 116.94 119.35 1py2 h PHE 124 Ca 0.18 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1py2 h PHE 124 Cb -0.04 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1py2 h PHE 124 CO 0.00 0.33 0.47 0.00 -2.23 0.00 0.00 178.31 176.88 1py2 n GLN 126 N -4.36 0.22 0.00 0.00 6.02 -0.88 -2.55 117.38 115.83 1py2 n GLN 126 Ca 0.09 0.35 -0.10 0.00 -0.01 0.00 0.00 57.00 57.33 1py2 n GLN 126 Cb 0.10 -1.85 -0.14 0.00 1.02 0.00 0.00 30.24 29.37 1py2 n GLN 126 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1py2 h SER 127 N 0.00 0.08 0.09 1.08 0.87 -1.23 -3.21 113.55 111.24 1py2 h SER 127 Ca 0.00 -0.15 -0.25 0.00 -1.23 0.00 0.00 61.79 60.16 1py2 h SER 127 Cb 0.50 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1py2 h SER 127 CO 0.00 1.13 -1.04 0.40 -0.53 0.00 0.00 176.83 176.78 1py2 h ILE 128 N 0.01 1.34 -0.29 2.23 1.08 -1.36 -3.23 117.51 117.30 1py2 h ILE 128 Ca -0.25 -2.38 -0.04 0.00 -0.39 0.00 0.00 64.86 61.79 1py2 h ILE 128 Cb 1.98 2.74 -0.02 0.00 -3.07 0.00 0.00 36.82 38.45 1py2 h ILE 128 CO 0.10 0.71 -0.02 0.40 -0.69 0.00 0.00 178.15 178.65 1py2 h ILE 129 N 0.11 1.18 -0.07 -0.67 2.04 -1.67 -2.67 117.51 115.77 1py2 h ILE 129 Ca -0.16 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 1py2 h ILE 129 Cb 1.75 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 1py2 h ILE 129 CO 0.20 0.24 -0.16 -1.28 0.00 0.00 0.00 178.15 177.15 1py2 h SER 130 N 0.42 0.10 0.02 1.72 0.87 -1.60 -3.27 113.55 111.81 1py2 h SER 130 Ca 0.09 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1py2 h SER 130 Cb 0.31 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1py2 h SER 130 CO 0.01 0.28 -0.47 0.71 -0.53 0.00 0.00 176.83 176.82 1py2 h THR 131 N 0.10 1.51 0.00 2.23 1.35 -1.50 -3.51 112.91 113.09 1py2 h THR 131 Ca 0.02 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1py2 h THR 131 Cb 0.35 3.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1py2 h THR 131 CO 0.02 0.55 0.00 0.00 -0.25 0.00 0.00 175.52 175.84