#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oe1 s SER 0 N 0.00 0.92 0.25 4.04 1.04 -1.26 -4.48 113.70 114.21 2oe1 s SER 0 Ca 0.00 -1.49 -0.04 0.00 0.48 0.00 0.00 55.95 54.91 2oe1 s SER 0 Cb 0.00 0.61 0.52 0.00 0.10 0.00 0.00 66.02 67.25 2oe1 s SER 0 CO 0.00 -1.20 1.67 0.22 0.98 0.00 0.00 173.24 174.91 2oe1 h TYR 1 N 2.17 0.26 -0.05 5.02 3.20 -1.86 -2.18 116.97 123.54 2oe1 h TYR 1 Ca -0.28 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.52 2oe1 h TYR 1 Cb 1.24 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2oe1 h TYR 1 CO 1.34 -0.13 -0.52 1.79 -1.64 0.00 0.00 178.16 179.00 2oe1 h THR 2 N 0.24 1.36 -0.00 1.81 1.35 -1.96 -3.27 112.91 112.44 2oe1 h THR 2 Ca 0.45 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2oe1 h THR 2 Cb 0.80 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2oe1 h THR 2 CO -0.56 0.52 -0.89 -1.54 -0.25 0.00 0.00 175.52 172.80 2oe1 n SER 3 N -3.93 1.18 -4.76 5.36 3.41 -0.98 -4.96 113.62 108.94 2oe1 n SER 3 Ca -0.02 -1.08 -0.34 0.00 -0.26 0.00 0.00 58.87 57.18 2oe1 n SER 3 Cb 0.55 0.88 0.04 0.00 -0.26 0.00 0.00 64.21 65.41 2oe1 n SER 3 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2oe1 s ILE 4 N -2.90 3.00 0.15 -1.33 -4.36 -0.86 -4.92 121.20 109.98 2oe1 s ILE 4 Ca 0.10 0.53 -0.34 0.00 -0.26 0.00 0.00 60.65 60.68 2oe1 s ILE 4 Cb 0.16 -3.10 -0.16 0.00 1.25 0.00 0.00 42.46 40.61 2oe1 s ILE 4 CO 0.81 -0.22 1.19 0.41 0.24 0.00 0.00 174.94 177.36 2oe1 n THR 5 N -2.05 0.71 -3.69 8.37 -1.04 -1.26 -4.79 114.28 110.52 2oe1 n THR 5 Ca 0.12 -0.18 -0.39 0.00 -2.04 0.00 0.00 64.05 61.56 2oe1 n THR 5 Cb 0.51 -0.80 -0.11 0.00 -1.82 0.00 0.00 70.33 68.11 2oe1 n THR 5 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2oe1 s LYS 6 N -0.21 2.55 0.38 -2.82 2.20 -1.26 -1.23 119.74 119.35 2oe1 s LYS 6 Ca 0.76 -1.36 -0.28 0.00 -0.36 0.00 0.00 55.97 54.73 2oe1 s LYS 6 Cb -0.88 -3.61 -0.10 0.00 -1.51 0.00 0.00 37.83 31.72 2oe1 s LYS 6 CO 0.51 -0.83 1.44 -0.51 -0.36 0.00 0.00 175.35 175.60 2oe1 s LEU 7 N 1.38 4.30 0.00 5.43 1.43 0.11 -4.93 118.68 126.40 2oe1 s LEU 7 Ca 0.01 2.96 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 2oe1 s LEU 7 Cb -0.21 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2oe1 s LEU 7 CO 0.02 -0.86 0.04 0.35 0.23 0.00 0.00 176.35 176.13 2oe1 n THR 8 N 0.41 0.00 -3.82 5.49 -2.24 -1.26 -4.59 114.28 108.27 2oe1 n THR 8 Ca 0.01 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 2oe1 n THR 8 Cb 0.40 1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 2oe1 n THR 8 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2oe1 s ASN 9 N -0.19 -0.15 0.18 3.42 2.47 -1.26 -4.98 114.94 114.43 2oe1 s ASN 9 Ca 0.00 0.21 -0.09 0.00 0.42 0.00 0.00 52.86 53.41 2oe1 s ASN 9 Cb 0.00 0.36 0.06 0.00 -1.45 0.00 0.00 41.25 40.22 2oe1 s ASN 9 CO 0.00 -0.20 1.59 0.25 -3.72 0.00 0.00 177.10 175.02 2oe1 h LEU 10 N 5.17 0.99 -0.49 3.21 5.85 -1.99 -0.71 115.31 127.35 2oe1 h LEU 10 Ca -0.27 -0.35 -0.13 0.00 0.84 0.00 0.00 57.88 57.97 2oe1 h LEU 10 Cb 1.19 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2oe1 h LEU 10 CO 0.39 1.13 -0.21 0.74 -0.34 0.00 0.00 178.44 180.15 2oe1 h THR 11 N 0.86 1.27 -0.60 1.05 2.02 -1.99 -0.82 112.91 114.70 2oe1 h THR 11 Ca 0.12 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.93 2oe1 h THR 11 Cb 0.73 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 2oe1 h THR 11 CO 0.06 0.47 0.38 -0.08 0.37 0.00 0.00 175.52 176.72 2oe1 h GLU 12 N 0.85 0.80 0.23 6.66 4.81 -1.93 0.25 114.58 126.25 2oe1 h GLU 12 Ca 0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2oe1 h GLU 12 Cb 0.79 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2oe1 h GLU 12 CO 0.07 0.56 -0.11 0.35 -0.73 0.00 0.00 179.01 179.14 2oe1 h PHE 13 N 0.81 -0.29 -0.47 0.92 3.57 -0.97 -0.86 116.94 119.65 2oe1 h PHE 13 Ca 0.22 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.78 2oe1 h PHE 13 Cb -0.05 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 2oe1 h PHE 13 CO -0.03 -0.18 0.11 0.00 -2.23 0.00 0.00 178.31 175.99 2oe1 h ARG 14 N -0.31 0.25 -0.29 1.11 3.08 -0.87 -1.52 114.38 115.83 2oe1 h ARG 14 Ca -0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2oe1 h ARG 14 Cb 0.24 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2oe1 h ARG 14 CO 0.05 0.17 0.19 -0.91 -1.07 0.00 0.00 179.97 178.39 2oe1 h ASN 15 N 0.26 0.33 -0.94 7.04 -0.26 -0.87 -2.05 115.58 119.10 2oe1 h ASN 15 Ca 0.23 -0.02 0.14 0.00 -0.56 0.00 0.00 56.30 56.10 2oe1 h ASN 15 Cb 0.29 -0.08 -0.09 0.00 -1.06 0.00 0.00 38.32 37.37 2oe1 h ASN 15 CO -0.29 0.25 0.55 0.25 -1.06 0.00 0.00 177.43 177.14 2oe1 h LEU 16 N 0.38 0.75 -0.48 1.61 5.85 -0.95 -1.30 115.31 121.16 2oe1 h LEU 16 Ca 0.10 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2oe1 h LEU 16 Cb -0.03 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2oe1 h LEU 16 CO -0.02 0.35 0.20 0.40 -0.34 0.00 0.00 178.44 179.03 2oe1 h ILE 17 N 0.81 1.21 -0.26 4.05 2.04 -0.75 -3.04 117.51 121.56 2oe1 h ILE 17 Ca 0.50 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 2oe1 h ILE 17 Cb 0.63 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2oe1 h ILE 17 CO -0.32 0.24 -0.30 0.11 0.00 0.00 0.00 178.15 177.87 2oe1 h LYS 18 N 0.64 0.53 0.00 2.37 1.57 -0.98 -3.22 116.57 117.48 2oe1 h LYS 18 Ca 0.16 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2oe1 h LYS 18 Cb 0.18 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2oe1 h LYS 18 CO -0.01 0.77 0.00 1.04 -0.57 0.00 0.00 179.45 180.68 2oe1 n GLN 19 N -4.08 0.19 -4.54 3.15 6.02 -0.53 -4.46 117.38 113.13 2oe1 n GLN 19 Ca -0.01 0.17 -0.33 0.00 -0.01 0.00 0.00 57.00 56.82 2oe1 n GLN 19 Cb 0.45 -1.73 -0.15 0.00 1.02 0.00 0.00 30.24 29.83 2oe1 n GLN 19 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2oe1 s ASN 20 N -4.11 3.69 0.35 1.08 0.01 -1.16 -4.97 114.94 109.82 2oe1 s ASN 20 Ca 0.11 -0.46 0.07 0.00 -0.71 0.00 0.00 52.86 51.87 2oe1 s ASN 20 Cb 0.14 -1.57 0.65 0.00 0.41 0.00 0.00 41.25 40.88 2oe1 s ASN 20 CO 0.57 0.09 1.85 0.44 -1.51 0.00 0.00 177.10 178.54 2oe1 h ASP 21 N 7.27 0.32 -2.91 -1.22 3.32 -1.88 -3.09 116.42 118.22 2oe1 h ASP 21 Ca -0.32 -0.08 -0.22 0.00 0.02 0.00 0.00 57.03 56.43 2oe1 h ASP 21 Cb 1.19 -0.09 -0.33 0.00 0.22 0.00 0.00 39.33 40.33 2oe1 h ASP 21 CO 0.57 0.50 -0.54 -0.54 -1.72 0.00 0.00 179.24 177.51 2oe1 s LYS 22 N -4.67 0.13 -0.02 3.56 1.02 -1.26 -0.42 119.74 118.08 2oe1 s LYS 22 Ca -0.06 0.72 0.01 0.00 0.02 0.00 0.00 55.97 56.66 2oe1 s LYS 22 Cb 0.15 -0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.41 2oe1 s LYS 22 CO 0.75 -0.28 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.70 2oe1 s LEU 23 N 2.35 1.53 -0.11 3.17 2.96 -0.43 -1.18 118.68 126.97 2oe1 s LEU 23 Ca 0.01 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2oe1 s LEU 23 Cb -0.12 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.29 2oe1 s LEU 23 CO -0.08 -0.03 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.00 2oe1 s VAL 24 N 0.56 2.07 -0.20 1.68 1.01 0.65 -1.16 120.40 125.01 2oe1 s VAL 24 Ca -0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 2oe1 s VAL 24 Cb -0.09 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2oe1 s VAL 24 CO -0.01 0.56 -0.05 -0.63 0.00 0.00 0.00 175.10 174.97 2oe1 s ILE 25 N 0.50 3.45 -0.57 2.22 1.01 -0.14 -0.51 121.20 127.16 2oe1 s ILE 25 Ca -0.15 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 2oe1 s ILE 25 Cb -0.17 -2.55 0.06 0.00 0.01 0.00 0.00 42.46 39.81 2oe1 s ILE 25 CO 0.05 0.44 0.80 -0.62 0.00 0.00 0.00 174.94 175.61 2oe1 s ASP 26 N 1.19 6.23 -0.38 3.58 2.15 0.39 -1.23 116.67 128.61 2oe1 s ASP 26 Ca 0.02 -0.87 -0.24 0.00 0.43 0.00 0.00 52.55 51.90 2oe1 s ASP 26 Cb -0.14 -2.36 0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2oe1 s ASP 26 CO -0.01 -1.14 0.81 -0.36 -0.17 0.00 0.00 175.17 174.30 2oe1 s PHE 27 N 3.30 3.09 0.25 -5.34 0.40 -0.24 -0.01 117.98 119.43 2oe1 s PHE 27 Ca 0.20 0.54 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 2oe1 s PHE 27 Cb -0.18 -3.48 -0.05 0.00 0.51 0.00 0.00 43.02 39.82 2oe1 s PHE 27 CO 0.12 -0.78 0.04 1.52 0.70 0.00 0.00 175.22 176.82 2oe1 s TYR 28 N 3.19 1.58 0.03 0.36 -0.85 -0.29 -1.84 117.35 119.53 2oe1 s TYR 28 Ca 0.32 -1.02 0.06 0.00 -0.52 0.00 0.00 57.07 55.92 2oe1 s TYR 28 Cb -0.13 -0.94 -0.02 0.00 0.38 0.00 0.00 41.96 41.25 2oe1 s TYR 28 CO 0.18 -0.14 -0.19 0.00 -1.52 0.00 0.00 175.55 173.88 2oe1 s ALA 29 N -3.53 1.59 0.29 9.51 0.00 -1.26 -1.06 121.76 127.30 2oe1 s ALA 29 Ca 0.32 -0.96 0.18 0.00 0.00 0.00 0.00 51.96 51.50 2oe1 s ALA 29 Cb 0.07 -0.31 0.84 0.00 0.00 0.00 0.00 23.12 23.72 2oe1 s ALA 29 CO 0.11 0.35 1.83 1.79 0.00 0.00 0.00 175.76 179.84 2oe1 h THR 30 N 4.44 0.96 -0.00 0.00 1.35 -1.99 -2.97 112.91 114.70 2oe1 h THR 30 Ca -0.41 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 2oe1 h THR 30 Cb 1.16 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2oe1 h THR 30 CO 0.45 0.32 -0.14 -2.67 -0.25 0.00 0.00 175.52 173.22 2oe1 n TRP 31 N -3.74 0.00 -3.37 4.73 4.27 -1.26 -4.85 117.44 113.22 2oe1 n TRP 31 Ca -0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 2oe1 n TRP 31 Cb 0.42 -0.35 -0.09 0.00 -1.36 0.00 0.00 31.31 29.93 2oe1 n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2oe1 h GLY 33 N 8.90 0.51 1.11 0.00 0.00 -1.88 -2.56 103.07 109.15 2oe1 h GLY 33 Ca -0.27 -0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.04 2oe1 h GLY 33 CO 0.76 0.11 0.33 -2.55 0.00 0.00 0.00 176.54 175.18 2oe1 h PRO 34 N 0.40 0.00 -0.36 4.80 0.11 -1.94 -0.31 132.00 134.69 2oe1 h PRO 34 Ca 0.16 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 2oe1 h PRO 34 Cb 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2oe1 h PRO 34 CO -0.10 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 177.69 2oe1 h LYS 36 N 0.45 -0.01 -0.66 0.00 1.57 -1.14 -2.56 116.57 114.23 2oe1 h LYS 36 Ca 0.10 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 2oe1 h LYS 36 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 2oe1 h LYS 36 CO 0.02 -0.01 0.44 0.52 -0.57 0.00 0.00 179.45 179.85 2oe1 h MET 37 N -0.01 0.38 0.00 3.15 2.86 -1.06 -2.37 114.93 117.88 2oe1 h MET 37 Ca 0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2oe1 h MET 37 Cb 0.09 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2oe1 h MET 37 CO -0.12 0.25 0.00 0.52 1.06 0.00 0.00 176.91 178.62 2oe1 h MET 38 N 0.39 0.00 -0.16 1.72 2.86 -0.99 -3.38 114.93 115.37 2oe1 h MET 38 Ca 0.31 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.00 2oe1 h MET 38 Cb 0.69 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.30 2oe1 h MET 38 CO -0.09 0.00 -0.16 1.96 1.06 0.00 0.00 176.91 179.68 2oe1 h GLN 39 N 0.00 -0.18 0.00 1.72 4.20 -1.16 -0.50 115.11 119.18 2oe1 h GLN 39 Ca 0.00 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2oe1 h GLN 39 Cb 0.76 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2oe1 h GLN 39 CO 0.00 -0.12 -0.20 -1.00 -0.67 0.00 0.00 178.83 176.84 2oe1 h PRO 40 N -0.19 0.00 -0.51 1.46 0.13 -1.78 -1.52 132.00 129.58 2oe1 h PRO 40 Ca 0.10 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 2oe1 h PRO 40 Cb 0.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2oe1 h PRO 40 CO -0.27 0.20 -0.08 0.45 -0.23 0.00 0.00 178.00 178.07 2oe1 h HIS 41 N 0.00 1.02 -0.54 1.56 3.86 -1.66 -2.47 115.15 116.92 2oe1 h HIS 41 Ca -0.00 -0.19 -0.11 0.00 -1.16 0.00 0.00 60.37 58.91 2oe1 h HIS 41 Cb 0.41 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2oe1 h HIS 41 CO 0.00 0.95 -0.11 1.25 0.86 0.00 0.00 177.93 180.88 2oe1 h LEU 42 N 0.84 1.03 -0.47 2.43 5.85 -0.61 -1.70 115.31 122.69 2oe1 h LEU 42 Ca 0.14 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.58 2oe1 h LEU 42 Cb 0.60 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2oe1 h LEU 42 CO 0.04 1.14 0.17 0.74 -0.34 0.00 0.00 178.44 180.19 2oe1 h THR 43 N 0.92 0.86 -0.35 1.05 2.02 -1.21 0.16 112.91 116.35 2oe1 h THR 43 Ca 0.14 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2oe1 h THR 43 Cb 0.68 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2oe1 h THR 43 CO 0.05 0.06 0.20 0.50 0.37 0.00 0.00 175.52 176.70 2oe1 h LYS 44 N 0.35 0.48 -0.61 6.66 1.63 -1.29 -2.15 116.57 121.64 2oe1 h LYS 44 Ca 0.22 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 2oe1 h LYS 44 Cb 0.21 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 2oe1 h LYS 44 CO -0.22 0.39 0.21 -0.07 -3.45 0.00 0.00 179.45 176.31 2oe1 h LEU 45 N 0.44 0.83 -0.92 5.20 3.38 -1.10 0.16 115.31 123.31 2oe1 h LEU 45 Ca 0.12 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2oe1 h LEU 45 Cb 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2oe1 h LEU 45 CO -0.02 0.77 0.16 0.40 0.09 0.00 0.00 178.44 179.83 2oe1 h ILE 46 N 0.88 1.24 -0.03 1.22 2.04 -0.46 -0.81 117.51 121.59 2oe1 h ILE 46 Ca 0.20 -0.87 -0.24 0.00 1.00 0.00 0.00 64.86 64.96 2oe1 h ILE 46 Cb 0.22 0.60 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2oe1 h ILE 46 CO -0.01 0.33 -0.94 1.56 0.00 0.00 0.00 178.15 179.09 2oe1 h GLN 47 N 0.91 0.58 0.00 2.37 4.20 -1.13 -3.31 115.11 118.74 2oe1 h GLN 47 Ca 0.20 -0.59 -0.12 0.00 0.06 0.00 0.00 58.65 58.20 2oe1 h GLN 47 Cb 0.31 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2oe1 h GLN 47 CO -0.00 1.20 -0.57 0.00 -0.67 0.00 0.00 178.83 178.79 2oe1 h ALA 48 N 0.60 0.93 -2.34 3.87 0.00 -0.67 -3.37 119.26 118.28 2oe1 h ALA 48 Ca -0.09 -0.52 -0.63 0.00 0.00 0.00 0.00 54.91 53.67 2oe1 h ALA 48 Cb 1.58 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.87 2oe1 h ALA 48 CO 0.18 0.72 -0.44 0.66 0.00 0.00 0.00 179.25 180.36 2oe1 n TYR 49 N -3.67 3.51 0.34 0.00 4.02 -0.33 -4.92 117.16 116.10 2oe1 n TYR 49 Ca -0.01 -4.04 0.13 0.00 -0.01 0.00 0.00 57.90 53.97 2oe1 n TYR 49 Cb 0.61 -0.66 0.55 0.00 -0.02 0.00 0.00 39.34 39.83 2oe1 n TYR 49 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2oe1 h PRO 50 N 4.56 0.00 -0.18 -0.72 0.13 -1.74 -1.67 132.00 132.38 2oe1 h PRO 50 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2oe1 h PRO 50 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2oe1 h PRO 50 CO 0.87 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.39 2oe1 n ASP 51 N -2.36 1.88 -4.42 1.44 8.00 -1.26 -4.78 116.55 115.05 2oe1 n ASP 51 Ca 0.01 -1.73 -0.33 0.00 0.71 0.00 0.00 54.79 53.45 2oe1 n ASP 51 Cb 0.19 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.05 2oe1 n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oe1 s VAL 52 N -1.78 3.36 -0.21 2.53 1.01 -0.63 -4.59 120.40 120.09 2oe1 s VAL 52 Ca 0.33 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 2oe1 s VAL 52 Cb 0.18 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2oe1 s VAL 52 CO 0.27 0.51 0.84 -0.60 0.00 0.00 0.00 175.10 176.13 2oe1 s ARG 53 N 0.36 4.23 -0.18 2.72 6.06 -0.32 -4.96 118.95 126.86 2oe1 s ARG 53 Ca -0.08 1.00 -0.06 0.00 -2.50 0.00 0.00 55.73 54.08 2oe1 s ARG 53 Cb -0.15 -3.62 -0.04 0.00 0.06 0.00 0.00 34.95 31.20 2oe1 s ARG 53 CO 0.05 -0.45 0.04 -0.06 -2.50 0.00 0.00 175.30 172.38 2oe1 s PHE 54 N 2.58 3.18 0.32 5.12 0.40 -1.26 -0.25 117.98 128.08 2oe1 s PHE 54 Ca 0.37 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.68 2oe1 s PHE 54 Cb -0.16 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 2oe1 s PHE 54 CO 0.09 0.08 0.10 0.14 0.70 0.00 0.00 175.22 176.33 2oe1 s VAL 55 N 0.44 0.73 0.14 -0.44 -7.23 0.34 -4.43 120.40 109.94 2oe1 s VAL 55 Ca 0.01 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2oe1 s VAL 55 Cb -0.13 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2oe1 s VAL 55 CO 0.01 0.00 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.18 2oe1 s LYS 56 N -3.87 0.98 -0.16 4.82 -2.85 -0.37 -0.46 119.74 117.82 2oe1 s LYS 56 Ca 0.34 -1.44 -0.07 0.00 -1.00 0.00 0.00 55.97 53.80 2oe1 s LYS 56 Cb 0.06 -0.23 0.07 0.00 -2.06 0.00 0.00 37.83 35.67 2oe1 s LYS 56 CO 0.15 -0.08 0.36 0.00 0.10 0.00 0.00 175.35 175.88 2oe1 s ASP 58 N 2.20 6.73 0.57 0.00 -1.08 -1.26 -1.14 116.67 122.69 2oe1 s ASP 58 Ca -0.03 0.68 0.34 0.00 -0.52 0.00 0.00 52.55 53.02 2oe1 s ASP 58 Cb -0.11 -2.49 1.67 0.00 -1.46 0.00 0.00 42.92 40.53 2oe1 s ASP 58 CO -0.11 -0.89 2.12 -0.37 0.52 0.00 0.00 175.17 176.43 2oe1 h VAL 59 N 5.83 0.26 0.00 1.11 -1.51 -1.38 0.43 116.25 120.99 2oe1 h VAL 59 Ca -0.23 -0.40 -0.26 0.00 -1.23 0.00 0.00 66.70 64.58 2oe1 h VAL 59 Cb 1.07 1.31 -0.05 0.00 -2.13 0.00 0.00 31.29 31.50 2oe1 h VAL 59 CO 1.01 0.06 -1.70 0.47 -1.23 0.00 0.00 177.57 176.17 2oe1 n ASP 60 N -3.33 0.78 0.08 4.19 8.00 -1.26 -2.91 116.55 122.08 2oe1 n ASP 60 Ca -0.01 0.36 -0.03 0.00 0.71 0.00 0.00 54.79 55.82 2oe1 n ASP 60 Cb 0.22 0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 2oe1 n ASP 60 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2oe1 h GLU 61 N 0.00 0.00 -2.16 -1.24 5.08 -1.87 -3.39 114.58 111.00 2oe1 h GLU 61 Ca -0.28 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.52 2oe1 h GLU 61 Cb 1.92 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.76 2oe1 h GLU 61 CO 0.07 0.64 -0.80 0.43 -1.00 0.00 0.00 179.01 178.34 2oe1 n SER 62 N -3.19 2.93 0.26 1.42 7.64 0.11 -4.95 113.62 117.85 2oe1 n SER 62 Ca -0.03 -3.34 0.11 0.00 1.01 0.00 0.00 58.87 56.62 2oe1 n SER 62 Cb 0.86 -0.62 0.71 0.00 -1.01 0.00 0.00 64.21 64.16 2oe1 n SER 62 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2oe1 h PRO 63 N 3.48 0.00 -0.22 1.43 0.13 -1.74 -2.11 132.00 132.97 2oe1 h PRO 63 Ca 0.14 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.12 2oe1 h PRO 63 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2oe1 h PRO 63 CO 0.71 0.10 -0.47 -0.44 -0.23 0.00 0.00 178.00 177.67 2oe1 h ASP 64 N 0.00 0.63 -0.15 1.44 3.32 -1.92 0.08 116.42 119.82 2oe1 h ASP 64 Ca -0.00 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.60 2oe1 h ASP 64 Cb 0.24 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2oe1 h ASP 64 CO 0.01 1.00 -0.47 0.40 -1.72 0.00 0.00 179.24 178.46 2oe1 h ILE 65 N 0.47 1.34 -0.81 0.35 2.04 -1.78 -1.26 117.51 117.86 2oe1 h ILE 65 Ca 0.03 -1.74 0.10 0.00 1.00 0.00 0.00 64.86 64.24 2oe1 h ILE 65 Cb 0.99 2.02 -0.07 0.00 -0.74 0.00 0.00 36.82 39.02 2oe1 h ILE 65 CO 0.09 0.53 0.45 0.00 0.00 0.00 0.00 178.15 179.23 2oe1 h ALA 66 N 0.54 1.16 -0.48 1.87 0.00 -1.47 -2.56 119.26 118.32 2oe1 h ALA 66 Ca -0.02 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2oe1 h ALA 66 Cb 1.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2oe1 h ALA 66 CO 0.10 0.07 -0.04 -0.22 0.00 0.00 0.00 179.25 179.16 2oe1 h LYS 67 N 0.76 0.87 -1.00 0.00 1.63 -0.89 0.27 116.57 118.21 2oe1 h LYS 67 Ca 0.39 -0.30 0.12 0.00 -0.85 0.00 0.00 60.65 60.02 2oe1 h LYS 67 Cb 0.38 -0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.86 2oe1 h LYS 67 CO -0.26 0.93 0.63 1.49 -3.45 0.00 0.00 179.45 178.79 2oe1 h GLU 68 N 0.73 0.97 -0.58 1.90 4.57 -0.91 -1.71 114.58 119.55 2oe1 h GLU 68 Ca 0.13 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2oe1 h GLU 68 Cb 0.56 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2oe1 h GLU 68 CO 0.03 0.64 0.00 0.00 -1.18 0.00 0.00 179.01 178.50 2oe1 n GLU 70 N 0.80 -2.64 -3.16 0.00 -0.58 -0.64 -4.94 120.64 109.47 2oe1 n GLU 70 Ca 0.18 0.32 -0.42 0.00 -0.42 0.00 0.00 57.16 56.81 2oe1 n GLU 70 Cb 0.58 -4.32 -0.07 0.00 -0.57 0.00 0.00 31.44 27.06 2oe1 n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2oe1 s VAL 71 N -4.02 4.91 0.00 2.62 1.01 0.02 -4.86 120.40 120.08 2oe1 s VAL 71 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2oe1 s VAL 71 Cb -0.03 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2oe1 s VAL 71 CO 0.92 -0.46 0.08 0.35 0.00 0.00 0.00 175.10 175.99 2oe1 n THR 72 N 5.68 0.00 -4.86 3.92 -2.24 -1.26 -4.76 114.28 110.75 2oe1 n THR 72 Ca -0.03 -0.39 -0.31 0.00 -2.27 0.00 0.00 64.05 61.05 2oe1 n THR 72 Cb 0.48 1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 69.62 2oe1 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oe1 s ALA 73 N -0.62 2.54 0.05 6.98 0.00 -1.26 -5.15 121.76 124.30 2oe1 s ALA 73 Ca 0.00 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2oe1 s ALA 73 Cb 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2oe1 s ALA 73 CO 0.00 0.56 -0.14 -1.64 0.00 0.00 0.00 175.76 174.53 2oe1 s MET 74 N -1.03 0.93 0.45 0.00 -1.94 -1.26 -3.74 119.30 112.71 2oe1 s MET 74 Ca 0.13 -0.81 -0.21 0.00 -1.71 0.00 0.00 55.69 53.09 2oe1 s MET 74 Cb -0.10 -0.95 -0.09 0.00 2.01 0.00 0.00 34.83 35.69 2oe1 s MET 74 CO 0.02 0.23 1.01 -1.25 -0.01 0.00 0.00 175.02 175.03 2oe1 s PRO 75 N -1.26 4.00 -0.10 2.03 0.04 -1.26 -4.69 135.00 133.75 2oe1 s PRO 75 Ca 0.01 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.40 2oe1 s PRO 75 Cb -0.08 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 2oe1 s PRO 75 CO 0.01 -0.26 -0.24 0.99 0.04 0.00 0.00 177.00 177.55 2oe1 s THR 76 N -1.98 2.09 -0.23 1.26 2.01 -0.77 0.80 115.64 118.81 2oe1 s THR 76 Ca 0.64 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 61.57 2oe1 s THR 76 Cb -0.15 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 2oe1 s THR 76 CO 0.19 0.56 0.00 -0.36 -0.69 0.00 0.00 174.62 174.32 2oe1 s PHE 77 N 0.27 3.02 -0.15 4.92 0.40 0.13 -1.07 117.98 125.50 2oe1 s PHE 77 Ca -0.17 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.46 2oe1 s PHE 77 Cb -0.17 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 2oe1 s PHE 77 CO 0.08 -0.42 0.00 0.08 0.70 0.00 0.00 175.22 175.67 2oe1 s VAL 78 N 1.42 4.28 -0.08 -0.44 1.01 -0.37 0.20 120.40 126.42 2oe1 s VAL 78 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2oe1 s VAL 78 Cb -0.15 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2oe1 s VAL 78 CO 0.00 0.51 -0.13 -0.76 0.00 0.00 0.00 175.10 174.72 2oe1 s LEU 79 N 0.09 2.80 0.04 3.92 1.43 0.68 -0.97 118.68 126.67 2oe1 s LEU 79 Ca 0.02 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 52.98 2oe1 s LEU 79 Cb -0.13 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 2oe1 s LEU 79 CO 0.02 0.28 -0.23 -0.83 0.23 0.00 0.00 176.35 175.81 2oe1 s GLY 80 N -0.31 1.24 -0.02 -3.19 0.00 -0.31 0.15 107.32 104.89 2oe1 s GLY 80 Ca 0.03 -1.14 -0.00 0.00 0.00 0.00 0.00 44.72 43.60 2oe1 s GLY 80 CO 0.03 -1.04 0.03 1.25 0.00 0.00 0.00 173.10 173.36 2oe1 s LYS 81 N -1.16 -0.02 -1.51 2.90 2.20 -0.38 -1.31 119.74 120.45 2oe1 s LYS 81 Ca 0.09 0.15 -0.09 0.00 -0.36 0.00 0.00 55.97 55.77 2oe1 s LYS 81 Cb -0.09 -0.19 0.07 0.00 -1.51 0.00 0.00 37.83 36.11 2oe1 s LYS 81 CO 0.02 -0.13 0.71 -0.25 -0.36 0.00 0.00 175.35 175.34 2oe1 n ASP 82 N 3.93 -2.49 0.00 1.43 8.00 0.44 -2.50 116.55 125.36 2oe1 n ASP 82 Ca -0.24 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.34 2oe1 n ASP 82 Cb 0.52 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 2oe1 n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oe1 n GLY 83 N -1.68 0.79 3.21 0.44 0.00 -1.17 -5.01 105.19 101.76 2oe1 n GLY 83 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 2oe1 n GLY 83 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2oe1 s GLN 84 N -0.60 0.77 0.08 1.61 -2.07 -1.04 -4.33 119.66 114.09 2oe1 s GLN 84 Ca 0.00 -0.70 -0.30 0.00 -1.82 0.00 0.00 55.36 52.54 2oe1 s GLN 84 Cb 0.00 0.32 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 2oe1 s GLN 84 CO 0.00 -0.24 1.01 -0.51 -1.32 0.00 0.00 175.29 174.23 2oe1 s LEU 85 N -2.33 4.44 -0.01 2.60 1.43 -1.26 -1.25 118.68 122.30 2oe1 s LEU 85 Ca -0.02 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 2oe1 s LEU 85 Cb 0.01 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2oe1 s LEU 85 CO -0.06 -0.19 0.04 2.30 0.23 0.00 0.00 176.35 178.66 2oe1 n ILE 86 N 3.20 0.07 -3.81 -0.59 -5.35 0.12 -4.92 119.36 108.08 2oe1 n ILE 86 Ca 0.04 -0.08 -0.07 0.00 -0.27 0.00 0.00 62.75 62.37 2oe1 n ILE 86 Cb 0.49 -0.12 -0.02 0.00 -1.74 0.00 0.00 39.64 38.25 2oe1 n ILE 86 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2oe1 s GLY 87 N -2.73 -0.15 -0.05 3.28 0.00 -1.06 -5.01 107.32 101.60 2oe1 s GLY 87 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.50 2oe1 s GLY 87 CO 0.11 -0.06 0.10 1.25 0.00 0.00 0.00 173.10 174.50 2oe1 s LYS 88 N -3.85 0.04 -0.20 2.90 2.20 -1.26 -0.23 119.74 119.35 2oe1 s LYS 88 Ca 0.10 0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.97 2oe1 s LYS 88 Cb -0.05 -0.19 -0.00 0.00 -1.51 0.00 0.00 37.83 36.08 2oe1 s LYS 88 CO 0.05 -0.15 -0.09 0.42 -0.36 0.00 0.00 175.35 175.21 2oe1 s ILE 89 N 1.05 3.01 -0.20 5.43 1.01 0.13 -4.96 121.20 126.67 2oe1 s ILE 89 Ca -0.08 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 2oe1 s ILE 89 Cb -0.11 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2oe1 s ILE 89 CO -0.04 0.47 0.07 -0.63 0.00 0.00 0.00 174.94 174.81 2oe1 s ILE 90 N 1.24 4.81 0.00 2.92 1.01 -1.26 0.22 121.20 130.14 2oe1 s ILE 90 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2oe1 s ILE 90 Cb -0.14 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2oe1 s ILE 90 CO -0.04 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2oe1 n GLY 91 N 3.76 0.75 2.93 6.18 0.00 0.24 -4.74 105.19 114.31 2oe1 n GLY 91 Ca -0.16 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2oe1 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oe1 n ALA 92 N 1.23 4.82 -3.83 4.61 0.00 -1.26 -4.74 120.51 121.34 2oe1 n ALA 92 Ca 0.00 -3.77 -0.29 0.00 0.00 0.00 0.00 53.44 49.39 2oe1 n ALA 92 Cb 0.00 -3.56 -0.13 0.00 0.00 0.00 0.00 19.45 15.76 2oe1 n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2oe1 s ASN 93 N 3.71 4.16 0.37 0.00 3.84 -1.26 -4.98 114.94 120.77 2oe1 s ASN 93 Ca 0.50 -3.34 0.05 0.00 0.21 0.00 0.00 52.86 50.28 2oe1 s ASN 93 Cb 0.12 -1.42 0.73 0.00 -0.55 0.00 0.00 41.25 40.13 2oe1 s ASN 93 CO -0.03 -0.16 1.99 -0.65 -2.79 0.00 0.00 177.10 175.46 2oe1 h PRO 94 N 5.96 0.74 -0.04 0.43 0.11 -1.99 -0.93 132.00 136.27 2oe1 h PRO 94 Ca 0.07 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2oe1 h PRO 94 Cb 0.84 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 2oe1 h PRO 94 CO 0.64 0.49 -0.02 1.15 -0.21 0.00 0.00 178.00 180.05 2oe1 h THR 95 N 0.76 1.31 -0.66 -1.15 2.02 -1.99 -1.61 112.91 111.59 2oe1 h THR 95 Ca 0.26 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 2oe1 h THR 95 Cb 0.08 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 2oe1 h THR 95 CO -0.07 0.26 0.27 0.00 0.37 0.00 0.00 175.52 176.35 2oe1 h ALA 96 N 0.63 0.86 0.16 6.16 0.00 -1.95 -1.39 119.26 123.73 2oe1 h ALA 96 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2oe1 h ALA 96 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2oe1 h ALA 96 CO 0.01 0.48 -0.11 1.25 0.00 0.00 0.00 179.25 180.87 2oe1 h LEU 97 N 0.93 -0.28 -0.91 0.00 5.85 -1.13 -0.50 115.31 119.27 2oe1 h LEU 97 Ca 0.22 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2oe1 h LEU 97 Cb 0.21 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2oe1 h LEU 97 CO -0.02 -0.18 0.53 -0.08 -0.34 0.00 0.00 178.44 178.36 2oe1 h GLU 98 N -0.27 1.24 -0.68 1.25 4.81 -1.16 0.11 114.58 119.87 2oe1 h GLU 98 Ca -0.01 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2oe1 h GLU 98 Cb 0.24 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2oe1 h GLU 98 CO 0.00 0.88 0.30 -0.22 -0.73 0.00 0.00 179.01 179.25 2oe1 h LYS 99 N 1.25 1.00 -0.53 1.92 3.64 -1.08 0.54 116.57 123.32 2oe1 h LYS 99 Ca 0.32 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2oe1 h LYS 99 Cb -0.03 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2oe1 h LYS 99 CO -0.06 0.81 0.17 0.78 -2.27 0.00 0.00 179.45 178.88 2oe1 h GLY 100 N 0.96 0.88 0.91 5.01 0.00 -0.57 -2.62 103.07 107.64 2oe1 h GLY 100 Ca 0.23 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 2oe1 h GLY 100 CO -0.02 0.48 0.06 -2.22 0.00 0.00 0.00 176.54 174.83 2oe1 h ILE 101 N 0.73 1.24 -0.93 2.60 2.04 -0.51 -2.69 117.51 119.98 2oe1 h ILE 101 Ca 0.17 -0.83 0.13 0.00 1.00 0.00 0.00 64.86 65.33 2oe1 h ILE 101 Cb 0.26 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 2oe1 h ILE 101 CO -0.01 0.28 0.60 0.50 0.00 0.00 0.00 178.15 179.52 2oe1 h LYS 102 N 0.42 0.81 0.00 2.37 3.64 0.05 -1.81 116.57 122.05 2oe1 h LYS 102 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2oe1 h LYS 102 Cb 0.35 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2oe1 h LYS 102 CO 0.01 0.53 0.00 -0.25 -2.27 0.00 0.00 179.45 177.47 2oe1 n ASP 103 N -4.58 0.06 0.00 4.20 10.43 -0.99 -5.08 116.55 120.59 2oe1 n ASP 103 Ca 0.18 0.51 0.10 0.00 2.57 0.00 0.00 54.79 58.15 2oe1 n ASP 103 Cb 0.40 -0.52 0.60 0.00 1.84 0.00 0.00 41.12 43.44 2oe1 n ASP 103 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31