#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h52 s LYS 3 N 0.00 1.26 0.02 -1.46 1.02 -1.26 -2.56 119.74 116.76 2h52 s LYS 3 Ca 0.00 -1.28 0.03 0.00 0.02 0.00 0.00 55.97 54.74 2h52 s LYS 3 Cb 0.00 -1.57 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 2h52 s LYS 3 CO 0.00 0.36 -0.09 0.71 -0.92 0.00 0.00 175.35 175.41 2h52 s TYR 4 N -1.28 0.83 0.00 3.18 1.51 0.37 -4.96 117.35 117.01 2h52 s TYR 4 Ca 0.11 -0.27 0.08 0.00 -1.01 0.00 0.00 57.07 55.98 2h52 s TYR 4 Cb -0.09 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 2h52 s TYR 4 CO 0.05 -0.01 -0.26 0.15 -1.11 0.00 0.00 175.55 174.37 2h52 s LYS 5 N -0.76 1.96 0.19 -0.62 1.02 -1.26 0.10 119.74 120.38 2h52 s LYS 5 Ca -0.00 -0.98 -0.00 0.00 0.02 0.00 0.00 55.97 55.00 2h52 s LYS 5 Cb -0.06 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 2h52 s LYS 5 CO 0.00 0.53 0.10 -0.48 -0.92 0.00 0.00 175.35 174.58 2h52 s LEU 6 N -0.83 1.44 -0.07 3.17 2.34 -0.71 -4.60 118.68 119.42 2h52 s LEU 6 Ca 0.10 -1.33 0.05 0.00 0.06 0.00 0.00 54.13 53.01 2h52 s LEU 6 Cb -0.10 0.27 -0.00 0.00 -0.56 0.00 0.00 46.19 45.80 2h52 s LEU 6 CO 0.00 -0.78 -0.22 -0.63 -1.06 0.00 0.00 176.35 173.67 2h52 s ILE 7 N -4.03 1.83 0.06 1.48 -1.09 -0.73 -2.91 121.20 115.80 2h52 s ILE 7 Ca 0.34 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 2h52 s ILE 7 Cb 0.07 -1.57 -0.03 0.00 -1.58 0.00 0.00 42.46 39.35 2h52 s ILE 7 CO 0.09 0.51 -0.05 0.00 -1.23 0.00 0.00 174.94 174.26 2h52 s MET 8 N 0.08 0.63 0.05 2.79 0.23 -0.90 -0.06 119.30 122.13 2h52 s MET 8 Ca -0.08 -1.08 -0.28 0.00 -1.03 0.00 0.00 55.69 53.22 2h52 s MET 8 Cb -0.14 -0.06 0.09 0.00 -1.53 0.00 0.00 34.83 33.19 2h52 s MET 8 CO 0.05 -0.04 0.96 -0.48 -2.03 0.00 0.00 175.02 173.48 2h52 s LEU 9 N -2.49 -0.25 -0.02 0.18 0.05 -0.69 -0.12 118.68 115.34 2h52 s LEU 9 Ca 0.02 -0.18 0.03 0.00 0.05 0.00 0.00 54.13 54.05 2h52 s LEU 9 Cb 0.01 2.01 -0.03 0.00 -2.05 0.00 0.00 46.19 46.13 2h52 s LEU 9 CO -0.05 -0.70 -0.10 0.00 -0.55 0.00 0.00 176.35 174.96 2h52 s ARG 10 N -3.11 2.53 1.17 1.48 1.70 -1.26 -0.97 118.95 120.48 2h52 s ARG 10 Ca 0.09 -0.71 -0.13 0.00 -0.47 0.00 0.00 55.73 54.51 2h52 s ARG 10 Cb -0.01 -2.46 0.29 0.00 -0.57 0.00 0.00 34.95 32.20 2h52 s ARG 10 CO -0.04 0.61 1.03 -3.38 -1.08 0.00 0.00 175.30 172.44 2h52 s HIS 11 N -0.90 1.34 0.77 5.89 -3.43 -1.22 -0.68 115.29 117.06 2h52 s HIS 11 Ca 0.15 1.19 -0.11 0.00 -0.80 0.00 0.00 55.06 55.49 2h52 s HIS 11 Cb -0.11 -3.10 0.05 0.00 -1.43 0.00 0.00 32.58 27.99 2h52 s HIS 11 CO 0.05 -3.89 1.08 0.20 -2.00 0.00 0.00 174.74 170.18 2h52 s GLY 12 N -2.51 1.66 0.24 -1.38 0.00 -1.26 -3.12 107.32 100.94 2h52 s GLY 12 Ca 0.68 0.09 -0.30 0.00 0.00 0.00 0.00 44.72 45.20 2h52 s GLY 12 CO 0.65 0.46 1.25 -0.54 0.00 0.00 0.00 173.10 174.91 2h52 s GLU 13 N -4.99 4.45 0.00 2.90 2.02 -1.26 -4.80 118.70 117.02 2h52 s GLU 13 Ca 0.60 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.59 2h52 s GLU 13 Cb -0.16 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.89 2h52 s GLU 13 CO 0.56 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.13 2h52 n GLY 14 N 1.80 1.38 0.14 -1.39 0.00 -1.26 -4.08 105.19 101.76 2h52 n GLY 14 Ca 0.03 -2.04 -0.07 0.00 0.00 0.00 0.00 46.02 43.95 2h52 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h52 h ALA 15 N -0.09 0.27 1.00 4.61 0.00 -1.94 -2.75 119.26 120.36 2h52 h ALA 15 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2h52 h ALA 15 Cb 0.00 0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2h52 h ALA 15 CO 0.00 -0.41 -0.49 -1.49 0.00 0.00 0.00 179.25 176.86 2h52 h TRP 16 N 0.09 -1.27 -0.23 0.00 4.06 -1.95 -2.63 115.95 114.02 2h52 h TRP 16 Ca 0.14 -0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.13 2h52 h TRP 16 Cb 0.19 0.42 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 2h52 h TRP 16 CO -0.22 -0.78 0.27 -0.91 -3.56 0.00 0.00 178.44 173.23 2h52 h ASN 17 N -1.35 0.00 -0.34 -3.49 4.21 -1.66 0.30 115.58 113.25 2h52 h ASN 17 Ca -0.14 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.24 2h52 h ASN 17 Cb 1.04 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.23 2h52 h ASN 17 CO 0.22 0.00 -0.26 0.50 -1.29 0.00 0.00 177.43 176.60 2h52 h LYS 18 N 0.00 0.85 -0.66 0.81 3.64 -1.17 -2.02 116.57 118.02 2h52 h LYS 18 Ca 0.11 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2h52 h LYS 18 Cb 0.64 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2h52 h LYS 18 CO -0.00 1.01 0.00 -0.85 -2.27 0.00 0.00 179.45 177.34 2h52 n GLU 19 N -4.10 3.01 -3.41 1.90 0.28 0.94 -4.94 120.64 114.33 2h52 n GLU 19 Ca -0.00 -1.86 -0.18 0.00 -0.16 0.00 0.00 57.16 54.96 2h52 n GLU 19 Cb 0.47 -1.79 0.09 0.00 1.43 0.00 0.00 31.44 31.63 2h52 n GLU 19 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2h52 n ASN 20 N 0.52 -2.77 -4.31 -1.84 5.15 -0.42 -4.91 115.26 106.68 2h52 n ASN 20 Ca 0.17 -0.59 -0.31 0.00 -0.60 0.00 0.00 54.58 53.25 2h52 n ASN 20 Cb 0.70 -4.96 -0.16 0.00 -0.53 0.00 0.00 39.78 34.84 2h52 n ASN 20 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2h52 s ARG 21 N -5.48 2.18 0.12 1.20 0.52 -0.89 -1.13 118.95 115.47 2h52 s ARG 21 Ca 0.10 -0.92 -0.31 0.00 -0.52 0.00 0.00 55.73 54.08 2h52 s ARG 21 Cb -0.04 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.26 2h52 s ARG 21 CO 0.71 0.54 1.72 -0.06 0.02 0.00 0.00 175.30 178.23 2h52 s PHE 22 N -0.57 2.48 -0.22 -0.53 0.08 -0.66 -3.83 117.98 114.74 2h52 s PHE 22 Ca 0.09 0.24 -0.13 0.00 0.12 0.00 0.00 56.93 57.25 2h52 s PHE 22 Cb -0.10 -4.07 -0.09 0.00 -0.57 0.00 0.00 43.02 38.19 2h52 s PHE 22 CO -0.00 -4.24 -0.31 0.00 -0.10 0.00 0.00 175.22 170.57 2h52 n SER 24 N -4.14 0.00 0.00 0.00 2.88 -1.26 -1.68 113.62 109.42 2h52 n SER 24 Ca -0.39 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.26 2h52 n SER 24 Cb 0.74 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.78 2h52 n SER 24 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2h52 n TRP 25 N 14.00 0.00 -2.08 0.66 7.02 -1.26 -4.74 117.44 131.03 2h52 n TRP 25 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 2h52 n TRP 25 Cb 0.00 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 28.61 2h52 n TRP 25 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2h52 s VAL 26 N -2.52 3.58 -0.38 -0.99 1.01 -0.68 -4.85 120.40 115.58 2h52 s VAL 26 Ca 0.23 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 2h52 s VAL 26 Cb 0.15 -3.54 -0.13 0.00 0.00 0.00 0.00 36.38 32.86 2h52 s VAL 26 CO 0.34 -0.04 2.44 -0.67 0.00 0.00 0.00 175.10 177.16 2h52 n ASP 27 N 6.38 4.22 -4.76 3.32 4.64 -1.26 -4.93 116.55 124.15 2h52 n ASP 27 Ca 0.16 -2.22 -0.40 0.00 -1.38 0.00 0.00 54.79 50.94 2h52 n ASP 27 Cb 0.43 -1.02 -0.03 0.00 -1.04 0.00 0.00 41.12 39.46 2h52 n ASP 27 CO 0.00 0.00 0.00 -1.58 -0.82 0.00 0.00 177.20 174.80 2h52 s GLN 28 N 2.22 4.52 0.67 -0.67 0.74 -1.26 -4.81 119.66 121.07 2h52 s GLN 28 Ca 0.44 1.97 -0.09 0.00 0.05 0.00 0.00 55.36 57.73 2h52 s GLN 28 Cb 0.18 -3.14 0.01 0.00 1.10 0.00 0.00 33.01 31.15 2h52 s GLN 28 CO -0.01 0.04 1.03 0.15 -0.55 0.00 0.00 175.29 175.94 2h52 s LYS 29 N -1.52 2.88 0.66 1.67 1.02 -1.26 -4.26 119.74 118.93 2h52 s LYS 29 Ca 0.47 0.30 -0.14 0.00 0.02 0.00 0.00 55.97 56.61 2h52 s LYS 29 Cb -0.35 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 2h52 s LYS 29 CO 0.46 -0.92 1.10 -0.51 -0.92 0.00 0.00 175.35 174.55 2h52 s LEU 30 N -5.23 3.35 0.00 3.17 1.43 -1.26 -4.60 118.68 115.54 2h52 s LEU 30 Ca 0.57 1.92 0.07 0.00 -1.03 0.00 0.00 54.13 55.66 2h52 s LEU 30 Cb -0.11 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.64 2h52 s LEU 30 CO 0.49 -1.58 0.59 -0.46 0.23 0.00 0.00 176.35 175.62 2h52 n ASN 31 N -2.52 2.12 -0.20 2.29 0.23 -1.26 -4.89 115.26 111.03 2h52 n ASN 31 Ca 0.10 -2.48 0.01 0.00 -0.53 0.00 0.00 54.58 51.68 2h52 n ASN 31 Cb 0.52 -0.26 0.11 0.00 -2.08 0.00 0.00 39.78 38.07 2h52 n ASN 31 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2h52 h SER 32 N 0.26 -0.05 -0.51 0.53 0.02 -1.97 -0.93 113.55 110.90 2h52 h SER 32 Ca -0.27 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2h52 h SER 32 Cb 1.12 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 2h52 h SER 32 CO 0.39 -0.02 0.32 -0.33 -1.14 0.00 0.00 176.83 176.06 2h52 h GLU 33 N 0.23 0.69 -0.41 3.45 3.07 -1.95 -1.89 114.58 117.77 2h52 h GLU 33 Ca 0.32 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.09 2h52 h GLU 33 Cb 0.49 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 2h52 h GLU 33 CO -0.43 0.48 0.10 0.78 -1.40 0.00 0.00 179.01 178.54 2h52 h GLY 34 N 0.69 0.65 0.90 -3.84 0.00 -1.46 -0.81 103.07 99.21 2h52 h GLY 34 Ca 0.19 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 2h52 h GLY 34 CO -0.04 0.33 -0.03 -0.33 0.00 0.00 0.00 176.54 176.47 2h52 h MET 35 N 0.59 0.60 -0.78 4.80 2.86 -0.78 -2.28 114.93 119.94 2h52 h MET 35 Ca 0.14 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2h52 h MET 35 Cb 0.23 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 2h52 h MET 35 CO -0.00 0.75 0.40 1.49 1.06 0.00 0.00 176.91 180.60 2h52 h GLU 36 N 0.39 1.11 -0.87 1.72 4.57 -0.94 -1.56 114.58 118.99 2h52 h GLU 36 Ca 0.09 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2h52 h GLU 36 Cb 0.50 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 2h52 h GLU 36 CO 0.02 0.84 0.53 0.93 -1.18 0.00 0.00 179.01 180.15 2h52 h GLU 37 N 1.11 1.19 -0.35 1.92 5.08 -0.93 0.21 114.58 122.80 2h52 h GLU 37 Ca 0.27 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2h52 h GLU 37 Cb 0.08 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2h52 h GLU 37 CO -0.04 0.83 0.11 0.00 -1.00 0.00 0.00 179.01 178.91 2h52 h ALA 38 N 1.29 0.46 -0.74 3.43 0.00 -0.81 -1.77 119.26 121.11 2h52 h ALA 38 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2h52 h ALA 38 Cb -0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2h52 h ALA 38 CO -0.06 0.10 0.44 0.00 0.00 0.00 0.00 179.25 179.73 2h52 h ARG 39 N 0.42 1.01 -0.63 0.00 3.08 -0.78 -1.33 114.38 116.15 2h52 h ARG 39 Ca 0.11 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2h52 h ARG 39 Cb 0.26 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2h52 h ARG 39 CO -0.00 0.71 0.12 -0.91 -1.07 0.00 0.00 179.97 178.82 2h52 h ASN 40 N 1.02 0.97 -0.72 7.04 2.35 -0.60 -1.07 115.58 124.57 2h52 h ASN 40 Ca 0.27 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2h52 h ASN 40 Cb -0.03 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 2h52 h ASN 40 CO -0.05 0.96 0.24 0.00 -1.65 0.00 0.00 177.43 176.93 2h52 h GLY 42 N 1.05 1.36 1.58 0.00 0.00 -0.70 -1.05 103.07 105.32 2h52 h GLY 42 Ca 0.23 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 2h52 h GLY 42 CO -0.01 0.58 -0.22 0.50 0.00 0.00 0.00 176.54 177.39 2h52 h LYS 43 N 1.29 0.49 -0.12 4.80 1.57 -0.81 0.09 116.57 123.88 2h52 h LYS 43 Ca 0.33 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2h52 h LYS 43 Cb -0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2h52 h LYS 43 CO -0.06 0.68 -0.03 1.96 -0.57 0.00 0.00 179.45 181.43 2h52 h GLN 44 N 0.44 0.23 -0.06 3.15 4.20 -0.80 -1.59 115.11 120.69 2h52 h GLN 44 Ca 0.07 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2h52 h GLN 44 Cb 0.63 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2h52 h GLN 44 CO 0.04 0.54 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.43 2h52 h LEU 45 N -0.09 0.09 -0.44 1.46 3.38 -1.05 -2.08 115.31 116.59 2h52 h LEU 45 Ca 0.03 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2h52 h LEU 45 Cb 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2h52 h LEU 45 CO 0.01 0.35 -0.34 0.50 0.09 0.00 0.00 178.44 179.05 2h52 h LYS 46 N 0.09 0.93 -0.82 1.13 3.64 -0.83 -0.74 116.57 119.97 2h52 h LYS 46 Ca 0.01 -0.47 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 2h52 h LYS 46 Cb 0.49 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 2h52 h LYS 46 CO 0.03 1.12 0.54 0.00 -2.27 0.00 0.00 179.45 178.88 2h52 h ALA 47 N 0.82 1.49 -0.00 5.00 0.00 -0.64 0.17 119.26 126.10 2h52 h ALA 47 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2h52 h ALA 47 Cb 0.93 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2h52 h ALA 47 CO 0.09 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.05 2h52 n LEU 48 N -4.44 0.22 -3.61 0.00 4.77 -0.86 -4.91 117.00 108.17 2h52 n LEU 48 Ca 0.10 -0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.77 2h52 n LEU 48 Cb 0.10 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 2h52 n LEU 48 CO 0.35 0.04 0.21 0.59 -1.33 0.00 0.00 177.39 177.25 2h52 n ASN 49 N -0.82 -5.53 -4.77 -1.43 3.02 0.60 -4.95 115.26 101.39 2h52 n ASN 49 Ca 0.23 -0.58 -0.40 0.00 -0.03 0.00 0.00 54.58 53.80 2h52 n ASN 49 Cb 0.14 -4.93 -0.02 0.00 -0.61 0.00 0.00 39.78 34.36 2h52 n ASN 49 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2h52 s PHE 50 N -3.33 3.16 -0.44 3.10 0.40 -0.34 -4.99 117.98 115.54 2h52 s PHE 50 Ca 0.50 1.50 0.02 0.00 -0.60 0.00 0.00 56.93 58.36 2h52 s PHE 50 Cb -0.22 -3.54 0.14 0.00 0.51 0.00 0.00 43.02 39.90 2h52 s PHE 50 CO 0.74 -1.48 0.24 -1.21 0.70 0.00 0.00 175.22 174.21 2h52 s GLU 51 N -1.83 1.27 0.54 0.44 2.02 -1.26 -4.87 118.70 115.01 2h52 s GLU 51 Ca 0.50 -2.00 -0.20 0.00 0.02 0.00 0.00 54.97 53.29 2h52 s GLU 51 Cb -0.36 -2.31 -0.06 0.00 0.10 0.00 0.00 34.13 31.50 2h52 s GLU 51 CO 0.47 -1.16 1.14 -0.06 0.02 0.00 0.00 175.26 175.67 2h52 s PHE 52 N 0.36 2.67 -0.08 1.61 0.40 -1.26 -4.67 117.98 117.01 2h52 s PHE 52 Ca 0.18 1.54 0.09 0.00 -0.60 0.00 0.00 56.93 58.13 2h52 s PHE 52 Cb -0.24 -3.32 -0.12 0.00 0.51 0.00 0.00 43.02 39.85 2h52 s PHE 52 CO 0.00 -1.62 0.06 -0.25 0.70 0.00 0.00 175.22 174.11 2h52 n ASP 53 N -1.22 2.67 -3.64 1.36 10.43 -0.02 -4.93 116.55 121.20 2h52 n ASP 53 Ca 0.11 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.32 2h52 n ASP 53 Cb 0.50 0.84 -0.08 0.00 1.84 0.00 0.00 41.12 44.23 2h52 n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2h52 s LEU 54 N -4.56 -0.03 -0.06 0.64 1.43 -1.20 -4.26 118.68 110.65 2h52 s LEU 54 Ca -0.05 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2h52 s LEU 54 Cb 0.03 1.96 0.00 0.00 0.03 0.00 0.00 46.19 48.22 2h52 s LEU 54 CO 0.39 -0.44 -0.16 -0.69 0.23 0.00 0.00 176.35 175.68 2h52 s VAL 55 N -0.83 1.38 -0.06 -1.59 1.01 -0.27 -2.34 120.40 117.70 2h52 s VAL 55 Ca -0.09 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2h52 s VAL 55 Cb -0.03 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2h52 s VAL 55 CO 0.06 0.40 -0.21 -0.36 0.00 0.00 0.00 175.10 174.99 2h52 s PHE 56 N 0.31 2.54 0.31 5.22 0.40 -0.14 -0.67 117.98 125.95 2h52 s PHE 56 Ca -0.10 -0.57 0.05 0.00 -0.60 0.00 0.00 56.93 55.72 2h52 s PHE 56 Cb -0.14 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 2h52 s PHE 56 CO 0.04 -0.11 0.23 0.95 0.70 0.00 0.00 175.22 177.02 2h52 s THR 57 N -0.25 0.09 0.33 0.64 -4.23 -0.06 -0.86 115.64 111.30 2h52 s THR 57 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2h52 s THR 57 Cb -0.13 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.29 2h52 s THR 57 CO 0.03 0.00 0.45 -1.54 -0.54 0.00 0.00 174.62 173.02 2h52 n SER 58 N -1.26 0.64 -1.15 3.99 3.41 -1.24 -1.29 113.62 116.73 2h52 n SER 58 Ca 0.05 -1.54 0.11 0.00 -0.26 0.00 0.00 58.87 57.23 2h52 n SER 58 Cb 0.63 -0.29 0.27 0.00 -0.26 0.00 0.00 64.21 64.56 2h52 n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2h52 n VAL 59 N -2.02 0.69 -2.78 -3.33 0.24 -1.20 -4.17 118.33 105.75 2h52 n VAL 59 Ca 0.08 -0.79 -0.42 0.00 -2.04 0.00 0.00 64.34 61.17 2h52 n VAL 59 Cb 0.27 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.25 2h52 n VAL 59 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2h52 s LEU 60 N -1.23 4.23 0.59 1.34 1.43 -1.26 -4.93 118.68 118.85 2h52 s LEU 60 Ca 0.41 1.39 0.29 0.00 -1.03 0.00 0.00 54.13 55.20 2h52 s LEU 60 Cb 0.23 -3.42 1.61 0.00 0.03 0.00 0.00 46.19 44.64 2h52 s LEU 60 CO 0.30 -0.40 2.04 -0.55 0.23 0.00 0.00 176.35 177.97 2h52 h ASN 61 N 7.14 0.00 0.33 2.29 -1.07 -1.88 -1.82 115.58 120.58 2h52 h ASN 61 Ca -0.31 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 55.99 2h52 h ASN 61 Cb 1.15 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.39 2h52 h ASN 61 CO 0.84 0.00 -0.34 0.08 0.07 0.00 0.00 177.43 178.08 2h52 h ARG 62 N 0.00 0.02 0.07 4.14 0.11 -1.91 0.26 114.38 117.06 2h52 h ARG 62 Ca 0.12 -0.01 -0.25 0.00 0.10 0.00 0.00 59.98 59.95 2h52 h ARG 62 Cb 0.67 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 2h52 h ARG 62 CO -0.00 0.35 -1.13 0.66 0.10 0.00 0.00 179.97 179.95 2h52 h SER 63 N 0.01 0.24 -0.11 0.08 4.64 -1.66 -2.52 113.55 114.23 2h52 h SER 63 Ca -0.00 -0.25 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 2h52 h SER 63 Cb 0.60 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2h52 h SER 63 CO 0.04 1.20 -0.08 0.40 -0.87 0.00 0.00 176.83 177.52 2h52 h ILE 64 N 0.04 1.34 -0.73 0.95 2.04 -1.43 -2.41 117.51 117.32 2h52 h ILE 64 Ca -0.08 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 2h52 h ILE 64 Cb 1.88 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 39.82 2h52 h ILE 64 CO 0.17 0.34 0.34 0.45 0.00 0.00 0.00 178.15 179.45 2h52 h HIS 65 N -0.14 1.04 -0.38 1.37 3.86 -1.03 -0.70 115.15 119.17 2h52 h HIS 65 Ca 0.02 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2h52 h HIS 65 Cb 0.58 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2h52 h HIS 65 CO 0.08 0.76 0.24 1.15 0.86 0.00 0.00 177.93 181.02 2h52 h THR 66 N 1.03 1.08 -0.71 2.45 2.02 -1.40 -1.01 112.91 116.37 2h52 h THR 66 Ca 0.25 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2h52 h THR 66 Cb 0.12 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2h52 h THR 66 CO -0.03 0.09 0.34 0.00 0.37 0.00 0.00 175.52 176.29 2h52 h ALA 67 N 1.15 0.91 -0.67 6.16 0.00 -0.90 -1.78 119.26 124.14 2h52 h ALA 67 Ca 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2h52 h ALA 67 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2h52 h ALA 67 CO -0.04 0.47 0.28 -1.49 0.00 0.00 0.00 179.25 178.46 2h52 h TRP 68 N 0.98 0.98 -0.21 0.00 6.55 -0.67 -1.07 115.95 122.52 2h52 h TRP 68 Ca 0.24 -0.06 -0.16 0.00 0.95 0.00 0.00 58.89 59.87 2h52 h TRP 68 Cb 0.12 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 2h52 h TRP 68 CO 0.01 0.74 -0.52 -0.07 -1.05 0.00 0.00 178.44 177.55 2h52 h LEU 69 N 0.96 0.66 -0.18 -4.49 3.38 -0.87 -1.54 115.31 113.23 2h52 h LEU 69 Ca 0.23 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2h52 h LEU 69 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2h52 h LEU 69 CO -0.02 1.06 0.00 0.40 0.09 0.00 0.00 178.44 179.97 2h52 h ILE 70 N 0.47 1.25 -0.76 1.22 2.04 -1.00 -1.82 117.51 118.90 2h52 h ILE 70 Ca 0.02 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2h52 h ILE 70 Cb 1.07 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 2h52 h ILE 70 CO 0.10 0.25 0.44 -0.07 0.00 0.00 0.00 178.15 178.87 2h52 h LEU 71 N 0.07 0.93 -0.51 1.44 3.38 -1.16 -1.27 115.31 118.19 2h52 h LEU 71 Ca 0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2h52 h LEU 71 Cb 0.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2h52 h LEU 71 CO 0.01 0.73 0.20 -0.08 0.09 0.00 0.00 178.44 179.39 2h52 h GLU 72 N 1.06 0.76 -0.17 1.13 4.81 -1.11 0.22 114.58 121.29 2h52 h GLU 72 Ca 0.27 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2h52 h GLU 72 Cb -0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2h52 h GLU 72 CO -0.05 0.68 0.03 1.49 -0.73 0.00 0.00 179.01 180.43 2h52 h GLU 73 N 0.68 0.24 -0.00 1.92 4.57 -0.72 -1.81 114.58 119.46 2h52 h GLU 73 Ca 0.17 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2h52 h GLU 73 Cb 0.21 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2h52 h GLU 73 CO -0.01 0.24 -0.50 1.28 -1.18 0.00 0.00 179.01 178.83 2h52 n LEU 74 N -4.43 0.52 -1.36 1.64 4.77 -0.54 -4.86 117.00 112.75 2h52 n LEU 74 Ca -0.00 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2h52 n LEU 74 Cb 0.14 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2h52 n LEU 74 CO 0.36 0.13 -0.15 0.61 -1.33 0.00 0.00 177.39 177.01 2h52 n GLY 75 N 1.50 -0.12 1.19 -0.72 0.00 0.50 -4.92 105.19 102.62 2h52 n GLY 75 Ca 0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 2h52 n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2h52 n GLN 76 N -2.14 2.39 0.34 1.61 6.02 0.41 -4.80 117.38 121.21 2h52 n GLN 76 Ca -0.14 -3.64 0.20 0.00 -0.01 0.00 0.00 57.00 53.41 2h52 n GLN 76 Cb 0.61 -1.87 1.09 0.00 1.02 0.00 0.00 30.24 31.08 2h52 n GLN 76 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2h52 h GLU 77 N 1.48 0.00 0.00 -1.09 3.07 -1.92 -1.08 114.58 115.05 2h52 h GLU 77 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 2h52 h GLU 77 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2h52 h GLU 77 CO 0.31 0.00 0.00 -2.67 -1.40 0.00 0.00 179.01 175.25 2h52 n TRP 78 N -3.01 0.75 -1.94 4.33 4.27 -1.26 -4.85 117.44 115.73 2h52 n TRP 78 Ca -0.03 0.23 -0.42 0.00 -3.89 0.00 0.00 57.50 53.39 2h52 n TRP 78 Cb 0.18 -0.87 -0.03 0.00 -1.36 0.00 0.00 31.31 29.23 2h52 n TRP 78 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2h52 s VAL 79 N -3.10 2.66 0.24 -1.67 1.01 -0.41 -4.93 120.40 114.20 2h52 s VAL 79 Ca 0.10 0.46 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 2h52 s VAL 79 Cb 0.13 -3.30 -0.13 0.00 0.00 0.00 0.00 36.38 33.08 2h52 s VAL 79 CO 0.56 0.03 1.44 -2.65 0.00 0.00 0.00 175.10 174.48 2h52 n PRO 80 N 4.04 2.10 -5.18 2.72 -0.02 -1.26 -4.82 135.00 132.59 2h52 n PRO 80 Ca 0.14 0.75 -0.31 0.00 -2.02 0.00 0.00 63.50 62.05 2h52 n PRO 80 Cb 0.39 -2.42 -0.15 0.00 -0.02 0.00 0.00 33.50 31.29 2h52 n PRO 80 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h52 s VAL 81 N 0.01 2.33 -0.04 -1.45 1.01 -1.26 -1.11 120.40 119.88 2h52 s VAL 81 Ca 0.68 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2h52 s VAL 81 Cb -0.64 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2h52 s VAL 81 CO 0.49 0.57 -0.08 -0.70 0.00 0.00 0.00 175.10 175.37 2h52 s GLU 82 N -0.68 1.14 -0.05 2.72 2.12 0.15 -4.96 118.70 119.14 2h52 s GLU 82 Ca 0.11 -0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.22 2h52 s GLU 82 Cb -0.10 -1.03 -0.02 0.00 0.26 0.00 0.00 34.13 33.24 2h52 s GLU 82 CO -0.00 0.02 -0.20 -1.12 -0.54 0.00 0.00 175.26 173.42 2h52 s SER 83 N 0.57 3.50 -0.05 -1.70 0.01 -1.26 -0.88 113.70 113.88 2h52 s SER 83 Ca -0.10 -0.36 -0.06 0.00 1.31 0.00 0.00 55.95 56.74 2h52 s SER 83 Cb -0.13 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.38 2h52 s SER 83 CO 0.01 0.30 0.16 -0.55 0.41 0.00 0.00 173.24 173.58 2h52 s SER 84 N -0.49 -0.14 0.62 2.44 0.15 -0.41 -4.85 113.70 111.03 2h52 s SER 84 Ca 0.06 0.23 0.41 0.00 0.70 0.00 0.00 55.95 57.35 2h52 s SER 84 Cb -0.11 0.32 2.02 0.00 -1.71 0.00 0.00 66.02 66.54 2h52 s SER 84 CO 0.01 -0.12 2.22 4.11 1.20 0.00 0.00 173.24 180.67 2h52 h TRP 85 N 5.57 0.00 0.00 3.44 5.08 -1.90 -2.04 115.95 126.10 2h52 h TRP 85 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 2h52 h TRP 85 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 2h52 h TRP 85 CO 0.44 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 178.14 2h52 n ARG 86 N -3.08 0.03 -0.06 0.12 1.74 -1.26 -0.83 116.66 113.31 2h52 n ARG 86 Ca -0.02 0.34 0.08 0.00 -0.77 0.00 0.00 57.85 57.48 2h52 n ARG 86 Cb 0.16 -1.56 0.11 0.00 -1.02 0.00 0.00 32.46 30.15 2h52 n ARG 86 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2h52 n LEU 87 N -1.61 2.64 -4.62 0.55 4.77 -0.77 -4.23 117.00 113.73 2h52 n LEU 87 Ca 0.02 -1.23 -0.35 0.00 -0.03 0.00 0.00 56.01 54.42 2h52 n LEU 87 Cb 0.14 -0.08 0.10 0.00 -2.33 0.00 0.00 43.42 41.24 2h52 n LEU 87 CO 0.11 0.53 0.56 0.59 -1.33 0.00 0.00 177.39 177.85 2h52 n ASN 88 N 0.97 0.53 -4.71 -1.43 4.13 -0.01 -4.48 115.26 110.26 2h52 n ASN 88 Ca 0.12 0.64 -0.32 0.00 1.68 0.00 0.00 54.58 56.70 2h52 n ASN 88 Cb 0.45 -1.42 0.12 0.00 -1.54 0.00 0.00 39.78 37.38 2h52 n ASN 88 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2h52 s GLU 89 N -3.49 1.75 0.34 3.52 2.56 -1.26 -4.59 118.70 117.53 2h52 s GLU 89 Ca 0.73 1.57 -0.29 0.00 0.00 0.00 0.00 54.97 56.99 2h52 s GLU 89 Cb -0.33 -1.81 -0.12 0.00 2.00 0.00 0.00 34.13 33.88 2h52 s GLU 89 CO 0.51 -2.09 1.46 -2.13 -0.56 0.00 0.00 175.26 172.45 2h52 n ARG 90 N -3.41 2.52 -2.56 4.30 0.00 -1.26 -4.72 116.66 111.53 2h52 n ARG 90 Ca 0.12 0.89 -0.43 0.00 -0.00 0.00 0.00 57.85 58.43 2h52 n ARG 90 Cb 0.51 -2.59 -0.02 0.00 0.00 0.00 0.00 32.46 30.36 2h52 n ARG 90 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2h52 s HIS 91 N -0.77 2.77 -1.99 -0.14 5.65 -1.26 -4.53 115.29 115.01 2h52 s HIS 91 Ca 0.57 0.76 0.02 0.00 0.25 0.00 0.00 55.06 56.66 2h52 s HIS 91 Cb -0.51 -4.33 0.06 0.00 -1.18 0.00 0.00 32.58 26.62 2h52 s HIS 91 CO 0.59 -1.36 1.05 0.66 -0.65 0.00 0.00 174.74 175.03 2h52 n TYR 92 N 7.91 0.10 -1.18 3.88 0.53 -1.26 -0.69 117.16 126.45 2h52 n TYR 92 Ca 0.13 -0.05 0.00 0.00 -1.02 0.00 0.00 57.90 56.96 2h52 n TYR 92 Cb 0.49 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.79 2h52 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2h52 n GLY 93 N 0.61 2.49 0.33 2.72 0.00 -1.25 -1.44 105.19 108.65 2h52 n GLY 93 Ca 0.02 -0.19 0.21 0.00 0.00 0.00 0.00 46.02 46.07 2h52 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h52 h ALA 94 N -0.44 1.15 0.00 4.61 0.00 -1.12 -1.54 119.26 121.92 2h52 h ALA 94 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h52 h ALA 94 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2h52 h ALA 94 CO 0.00 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.48 2h52 n LEU 95 N -3.21 0.67 -4.69 0.00 4.77 -0.52 -4.77 117.00 109.26 2h52 n LEU 95 Ca -0.03 0.64 -0.44 0.00 -0.03 0.00 0.00 56.01 56.15 2h52 n LEU 95 Cb 0.12 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 2h52 n LEU 95 CO 0.21 -0.48 1.22 -0.38 -1.33 0.00 0.00 177.39 176.63 2h52 n ILE 96 N -2.22 0.20 0.00 -0.08 5.41 -0.58 -1.40 119.36 120.69 2h52 n ILE 96 Ca 0.03 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2h52 n ILE 96 Cb 0.27 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.51 2h52 n ILE 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2h52 n GLY 97 N 3.30 2.58 3.85 7.39 0.00 0.60 -4.96 105.19 117.95 2h52 n GLY 97 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2h52 n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h52 s LEU 98 N 0.00 3.83 -0.14 0.99 1.43 -0.50 -4.70 118.68 119.59 2h52 s LEU 98 Ca 0.00 1.42 -0.27 0.00 -1.03 0.00 0.00 54.13 54.25 2h52 s LEU 98 Cb 0.00 -4.30 -0.01 0.00 0.03 0.00 0.00 46.19 41.91 2h52 s LEU 98 CO 0.00 -0.42 0.91 0.21 0.23 0.00 0.00 176.35 177.28 2h52 s ASN 99 N -2.76 7.09 0.23 2.29 3.84 -1.26 -1.65 114.94 122.72 2h52 s ASN 99 Ca 0.57 1.34 -0.07 0.00 0.21 0.00 0.00 52.86 54.91 2h52 s ASN 99 Cb -0.10 -2.50 0.28 0.00 -0.55 0.00 0.00 41.25 38.38 2h52 s ASN 99 CO 0.25 -0.42 1.86 0.03 -2.79 0.00 0.00 177.10 176.03 2h52 h ARG 100 N 7.21 0.95 -0.16 0.43 3.08 -1.40 -1.39 114.38 123.09 2h52 h ARG 100 Ca -0.30 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.59 2h52 h ARG 100 Cb 1.14 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 2h52 h ARG 100 CO 0.85 0.63 -0.36 1.49 -1.07 0.00 0.00 179.97 181.51 2h52 h GLU 101 N 0.98 0.35 -0.52 0.04 4.81 -1.77 -1.90 114.58 116.56 2h52 h GLU 101 Ca 0.35 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2h52 h GLU 101 Cb 0.09 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2h52 h GLU 101 CO -0.14 0.66 -0.05 0.37 -0.73 0.00 0.00 179.01 179.11 2h52 h GLN 102 N 0.30 0.92 -0.20 1.92 5.75 -1.75 -1.30 115.11 120.74 2h52 h GLN 102 Ca 0.03 -0.29 -0.09 0.00 -0.15 0.00 0.00 58.65 58.15 2h52 h GLN 102 Cb 0.77 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 2h52 h GLN 102 CO 0.06 0.94 -0.25 0.52 -2.65 0.00 0.00 178.83 177.45 2h52 h MET 103 N 0.83 0.37 -0.34 1.69 2.86 -0.88 0.47 114.93 119.93 2h52 h MET 103 Ca 0.15 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 2h52 h MET 103 Cb 0.57 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2h52 h MET 103 CO 0.03 0.60 -0.29 0.00 1.06 0.00 0.00 176.91 178.31 2h52 h ALA 104 N 1.41 0.86 -0.19 6.32 0.00 -0.87 0.42 119.26 127.20 2h52 h ALA 104 Ca 0.05 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 2h52 h ALA 104 Cb 0.62 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2h52 h ALA 104 CO 0.04 0.63 -0.62 -0.07 0.00 0.00 0.00 179.25 179.24 2h52 h LEU 105 N 0.61 0.76 0.18 0.00 3.38 -0.74 0.12 115.31 119.62 2h52 h LEU 105 Ca 0.07 -0.44 -0.31 0.00 0.09 0.00 0.00 57.88 57.30 2h52 h LEU 105 Cb 0.80 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.35 2h52 h LEU 105 CO 0.07 1.20 -1.38 0.78 0.09 0.00 0.00 178.44 179.19 2h52 h ASN 106 N 0.49 0.61 -0.00 -0.43 4.21 -0.74 -3.39 115.58 116.33 2h52 h ASN 106 Ca -0.01 -0.67 0.00 0.00 1.21 0.00 0.00 56.30 56.83 2h52 h ASN 106 Cb 1.20 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.21 2h52 h ASN 106 CO 0.12 1.53 -0.05 1.41 -1.29 0.00 0.00 177.43 179.15 2h52 n HIS 107 N -3.61 0.00 0.00 1.19 8.25 0.14 -5.08 115.22 116.12 2h52 n HIS 107 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2h52 n HIS 107 Cb 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.17 2h52 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h52 n GLY 108 N 0.60 0.83 0.29 -1.41 0.00 0.42 -4.39 105.19 101.52 2h52 n GLY 108 Ca 0.01 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.37 2h52 n GLY 108 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2h52 h GLU 109 N 0.00 0.71 -0.11 1.61 5.08 -1.85 -2.77 114.58 117.25 2h52 h GLU 109 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2h52 h GLU 109 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2h52 h GLU 109 CO 0.00 0.69 0.06 0.93 -1.00 0.00 0.00 179.01 179.69 2h52 h GLU 110 N 0.68 0.13 -0.60 2.33 5.08 -1.92 -1.02 114.58 119.25 2h52 h GLU 110 Ca 0.14 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2h52 h GLU 110 Cb 0.34 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2h52 h GLU 110 CO 0.01 0.08 0.15 0.37 -1.00 0.00 0.00 179.01 178.63 2h52 h GLN 111 N 0.13 0.93 -0.51 2.33 5.75 -1.75 -2.13 115.11 119.87 2h52 h GLN 111 Ca 0.04 -0.20 -0.10 0.00 -0.15 0.00 0.00 58.65 58.25 2h52 h GLN 111 Cb -0.00 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2h52 h GLN 111 CO -0.02 0.83 -0.06 0.28 -2.65 0.00 0.00 178.83 177.21 2h52 h VAL 112 N 0.90 1.26 -0.61 2.39 2.07 -1.22 -0.98 116.25 120.06 2h52 h VAL 112 Ca 0.20 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 2h52 h VAL 112 Cb 0.31 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2h52 h VAL 112 CO -0.00 0.41 0.14 -0.09 0.02 0.00 0.00 177.57 178.04 2h52 h ARG 113 N 0.83 0.97 -0.01 1.57 2.43 -0.87 -0.23 114.38 119.06 2h52 h ARG 113 Ca 0.14 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2h52 h ARG 113 Cb 0.58 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2h52 h ARG 113 CO 0.04 0.87 0.00 -0.07 -1.51 0.00 0.00 179.97 179.30 2h52 h LEU 114 N 0.92 0.02 -0.55 3.80 3.38 -0.97 0.13 115.31 122.04 2h52 h LEU 114 Ca 0.20 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2h52 h LEU 114 Cb 0.35 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2h52 h LEU 114 CO 0.00 0.26 0.27 -0.50 0.09 0.00 0.00 178.44 178.55 2h52 h TRP 115 N -0.22 0.48 -0.05 1.13 6.55 -0.95 -1.10 115.95 121.79 2h52 h TRP 115 Ca 0.00 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.77 2h52 h TRP 115 Cb 0.25 -0.13 0.01 0.00 -0.86 0.00 0.00 29.16 28.42 2h52 h TRP 115 CO 0.01 0.21 -0.34 0.00 -1.05 0.00 0.00 178.44 177.28 2h52 h ARG 116 N 0.50 0.31 -0.00 0.49 3.08 -0.95 -3.41 114.38 114.40 2h52 h ARG 116 Ca 0.25 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2h52 h ARG 116 Cb 0.19 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2h52 h ARG 116 CO -0.19 0.93 -0.17 0.54 -1.07 0.00 0.00 179.97 180.01 2h52 n ARG 117 N -4.42 4.28 -1.10 0.04 5.12 0.43 -5.04 116.66 115.97 2h52 n ARG 117 Ca -0.09 -0.17 -0.30 0.00 -1.93 0.00 0.00 57.85 55.37 2h52 n ARG 117 Cb 0.52 -0.80 0.15 0.00 -1.16 0.00 0.00 32.46 31.17 2h52 n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2h52 s SER 118 N -1.22 3.19 -0.16 0.55 1.04 -0.42 -3.69 113.70 113.00 2h52 s SER 118 Ca 0.03 1.55 -0.16 0.00 0.48 0.00 0.00 55.95 57.85 2h52 s SER 118 Cb 0.04 -2.22 -0.23 0.00 0.10 0.00 0.00 66.02 63.71 2h52 s SER 118 CO 0.16 -2.82 0.34 0.22 0.98 0.00 0.00 173.24 172.12 2h52 h TYR 119 N -1.68 0.25 0.00 5.02 3.20 -1.86 -3.37 116.97 118.52 2h52 h TYR 119 Ca -0.50 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.19 2h52 h TYR 119 Cb 1.29 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.55 2h52 h TYR 119 CO 0.42 1.60 -1.44 0.09 -1.64 0.00 0.00 178.16 177.18 2h52 n ASN 120 N -4.02 0.44 -4.71 -2.11 4.13 -1.26 -1.04 115.26 106.69 2h52 n ASN 120 Ca -0.30 0.02 -0.42 0.00 1.68 0.00 0.00 54.58 55.56 2h52 n ASN 120 Cb 0.84 1.22 -0.03 0.00 -1.54 0.00 0.00 39.78 40.27 2h52 n ASN 120 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2h52 s VAL 121 N -3.38 3.14 -0.18 2.41 1.01 -1.26 -4.86 120.40 117.28 2h52 s VAL 121 Ca -0.03 0.74 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 2h52 s VAL 121 Cb 0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2h52 s VAL 121 CO 0.85 0.03 0.06 -0.89 0.00 0.00 0.00 175.10 175.15 2h52 s THR 122 N 1.66 4.77 0.61 3.92 2.01 -1.26 -4.30 115.64 123.04 2h52 s THR 122 Ca 0.68 -0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.46 2h52 s THR 122 Cb -0.38 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 2h52 s THR 122 CO 0.30 0.47 1.14 -2.84 -0.69 0.00 0.00 174.62 173.00 2h52 s PRO 123 N 0.28 3.00 0.52 4.92 0.02 -1.26 -4.94 135.00 137.54 2h52 s PRO 123 Ca 0.03 1.56 -0.23 0.00 0.02 0.00 0.00 61.00 62.39 2h52 s PRO 123 Cb -0.12 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.38 2h52 s PRO 123 CO 0.00 -1.12 1.39 -2.14 -0.33 0.00 0.00 177.00 174.80 2h52 s PRO 124 N -3.65 3.31 0.49 5.54 0.02 -1.26 -4.72 135.00 134.72 2h52 s PRO 124 Ca 0.71 2.32 -0.23 0.00 0.02 0.00 0.00 61.00 63.83 2h52 s PRO 124 Cb -0.24 -2.39 -0.06 0.00 0.02 0.00 0.00 34.50 31.83 2h52 s PRO 124 CO 0.35 -1.09 1.26 -2.14 -0.33 0.00 0.00 177.00 175.05 2h52 s PRO 125 N -2.76 3.52 0.14 5.54 0.02 -1.26 -0.94 135.00 139.26 2h52 s PRO 125 Ca 0.68 2.00 -0.30 0.00 0.02 0.00 0.00 61.00 63.40 2h52 s PRO 125 Cb -0.42 -2.37 -0.07 0.00 0.02 0.00 0.00 34.50 31.66 2h52 s PRO 125 CO 0.51 -0.81 1.06 -1.50 -0.33 0.00 0.00 177.00 175.93 2h52 s ILE 126 N -1.42 4.11 0.27 2.83 2.07 0.11 -3.71 121.20 125.46 2h52 s ILE 126 Ca 0.66 1.75 0.08 0.00 -1.41 0.00 0.00 60.65 61.73 2h52 s ILE 126 Cb -0.34 -4.12 -0.04 0.00 0.13 0.00 0.00 42.46 38.09 2h52 s ILE 126 CO 0.41 0.27 0.18 -1.61 -1.91 0.00 0.00 174.94 172.28 2h52 s GLU 127 N -0.09 2.78 0.62 3.50 2.02 -1.26 -4.88 118.70 121.38 2h52 s GLU 127 Ca 0.50 -1.16 0.31 0.00 0.02 0.00 0.00 54.97 54.63 2h52 s GLU 127 Cb -0.27 -2.47 1.69 0.00 0.10 0.00 0.00 34.13 33.17 2h52 s GLU 127 CO 0.33 0.34 2.04 0.93 0.02 0.00 0.00 175.26 178.91 2h52 h GLU 128 N 1.52 0.00 0.00 1.61 5.08 -1.98 0.17 114.58 120.98 2h52 h GLU 128 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2h52 h GLU 128 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2h52 h GLU 128 CO 0.60 0.00 -0.02 0.66 -1.00 0.00 0.00 179.01 179.25 2h52 h SER 129 N 0.00 0.00 -3.38 1.42 4.64 -2.01 -3.44 113.55 110.77 2h52 h SER 129 Ca 0.08 -0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.86 2h52 h SER 129 Cb 0.64 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.82 2h52 h SER 129 CO -0.00 0.00 0.86 1.57 -0.87 0.00 0.00 176.83 178.39 2h52 n HIS 130 N -2.51 2.87 -0.27 4.77 -0.00 0.59 -4.88 115.22 115.79 2h52 n HIS 130 Ca 0.05 0.29 0.33 0.00 -0.00 0.00 0.00 57.72 58.39 2h52 n HIS 130 Cb 0.46 -2.58 0.74 0.00 -0.00 0.00 0.00 29.99 28.60 2h52 n HIS 130 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2h52 h PRO 131 N 4.45 0.00 -0.16 1.57 0.11 -1.89 -1.96 132.00 134.12 2h52 h PRO 131 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2h52 h PRO 131 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2h52 h PRO 131 CO 0.77 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.22 2h52 n TYR 132 N -4.12 0.41 -0.04 0.65 4.02 -1.26 -4.70 117.16 112.12 2h52 n TYR 132 Ca 0.23 -0.75 -0.12 0.00 -0.01 0.00 0.00 57.90 57.25 2h52 n TYR 132 Cb 1.18 -0.15 -0.07 0.00 -0.02 0.00 0.00 39.34 40.27 2h52 n TYR 132 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 2h52 h TYR 133 N 1.04 0.22 0.28 -0.72 3.20 -1.62 -3.21 116.97 116.15 2h52 h TYR 133 Ca 0.00 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2h52 h TYR 133 Cb 0.98 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2h52 h TYR 133 CO 0.21 0.50 -0.14 1.96 -1.64 0.00 0.00 178.16 179.05 2h52 h GLN 134 N -0.12 -0.37 0.00 1.82 1.08 -1.84 -2.19 115.11 113.50 2h52 h GLN 134 Ca 0.03 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2h52 h GLN 134 Cb 0.42 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2h52 h GLN 134 CO 0.01 -0.24 0.00 1.05 -0.95 0.00 0.00 178.83 178.70 2h52 h GLU 135 N -0.38 0.00 0.00 1.46 4.11 -1.89 -1.57 114.58 116.31 2h52 h GLU 135 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2h52 h GLU 135 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2h52 h GLU 135 CO 0.06 0.00 -0.25 0.82 0.07 0.00 0.00 179.01 179.71 2h52 h ILE 136 N 0.00 0.25 -0.00 -1.06 2.04 -1.49 -3.39 117.51 113.86 2h52 h ILE 136 Ca 0.00 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2h52 h ILE 136 Cb 0.15 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2h52 h ILE 136 CO 0.00 0.08 -0.01 -1.22 0.00 0.00 0.00 178.15 177.00 2h52 n TYR 137 N -4.69 0.00 1.09 1.37 4.02 -0.85 -3.40 117.16 114.70 2h52 n TYR 137 Ca -0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.95 2h52 n TYR 137 Cb 0.18 -0.06 0.13 0.00 -0.02 0.00 0.00 39.34 39.56 2h52 n TYR 137 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2h52 n ASN 138 N -0.88 1.66 -4.73 7.72 3.02 -0.60 -4.93 115.26 116.53 2h52 n ASN 138 Ca 0.21 -1.28 -0.41 0.00 -0.03 0.00 0.00 54.58 53.06 2h52 n ASN 138 Cb 0.18 0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.69 2h52 n ASN 138 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2h52 s ASP 139 N -2.50 7.25 0.55 6.41 -1.08 -1.22 -4.93 116.67 121.15 2h52 s ASP 139 Ca 0.20 1.98 0.27 0.00 -0.52 0.00 0.00 52.55 54.47 2h52 s ASP 139 Cb 0.18 -2.59 1.46 0.00 -1.46 0.00 0.00 42.92 40.52 2h52 s ASP 139 CO 0.56 -0.29 2.00 -0.09 0.52 0.00 0.00 175.17 177.87 2h52 h ARG 140 N 5.90 0.00 -0.09 4.34 2.43 -1.92 -1.75 114.38 123.29 2h52 h ARG 140 Ca -0.43 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 2h52 h ARG 140 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2h52 h ARG 140 CO 0.75 0.00 0.09 0.07 -1.51 0.00 0.00 179.97 179.37 2h52 h ARG 141 N 0.00 0.00 -0.37 0.20 0.11 -1.96 0.66 114.38 113.01 2h52 h ARG 141 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 2h52 h ARG 141 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2h52 h ARG 141 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 2h52 n TYR 142 N -4.03 0.49 0.74 4.08 4.01 -0.66 -3.71 117.16 118.08 2h52 n TYR 142 Ca -0.01 -0.24 0.10 0.00 -0.16 0.00 0.00 57.90 57.59 2h52 n TYR 142 Cb 0.19 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.09 2h52 n TYR 142 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2h52 n LYS 143 N 1.01 0.35 -0.45 -0.72 5.02 0.21 -3.97 118.16 119.61 2h52 n LYS 143 Ca 0.18 -0.04 0.07 0.00 -2.02 0.00 0.00 58.31 56.50 2h52 n LYS 143 Cb 0.47 -1.47 0.16 0.00 -0.02 0.00 0.00 35.03 34.17 2h52 n LYS 143 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2h52 n VAL 144 N -1.65 1.85 -1.94 -0.18 0.24 -1.18 -4.88 118.33 110.60 2h52 n VAL 144 Ca 0.02 -2.59 -0.29 0.00 -2.04 0.00 0.00 64.34 59.44 2h52 n VAL 144 Cb 0.37 -0.13 0.12 0.00 -1.47 0.00 0.00 33.84 32.73 2h52 n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2h52 n ASP 146 N -3.43 0.00 -3.97 0.00 5.68 -1.26 -4.65 116.55 108.93 2h52 n ASP 146 Ca 0.10 -1.08 -0.17 0.00 -0.50 0.00 0.00 54.79 53.15 2h52 n ASP 146 Cb 0.60 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.44 2h52 n ASP 146 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2h52 s VAL 147 N -2.00 0.47 0.50 2.12 -7.23 -1.26 -5.14 120.40 107.87 2h52 s VAL 147 Ca 0.33 -0.25 -0.21 0.00 -1.81 0.00 0.00 61.98 60.04 2h52 s VAL 147 Cb 0.15 -0.41 -0.08 0.00 0.56 0.00 0.00 36.38 36.60 2h52 s VAL 147 CO 0.25 0.14 0.92 -2.65 -0.31 0.00 0.00 175.10 173.45 2h52 n PRO 148 N 2.99 1.08 -0.30 4.82 -0.02 -1.26 -4.78 135.00 137.52 2h52 n PRO 148 Ca -0.14 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 2h52 n PRO 148 Cb 0.58 -2.04 0.22 0.00 -0.02 0.00 0.00 33.50 32.23 2h52 n PRO 148 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2h52 h LEU 149 N 0.99 0.58 0.00 2.45 5.85 -1.90 0.28 115.31 123.55 2h52 h LEU 149 Ca -0.46 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2h52 h LEU 149 Cb 1.36 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2h52 h LEU 149 CO 0.53 0.27 0.00 -0.90 -0.34 0.00 0.00 178.44 178.00 2h52 n ASP 150 N -4.83 0.00 0.04 1.25 5.75 -1.26 -2.56 116.55 114.94 2h52 n ASP 150 Ca 0.17 0.47 0.11 0.00 -0.01 0.00 0.00 54.79 55.53 2h52 n ASP 150 Cb 0.40 -0.49 -0.06 0.00 -1.03 0.00 0.00 41.12 39.95 2h52 n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2h52 n GLN 151 N -1.49 0.52 -1.83 0.11 3.00 0.93 -4.96 117.38 113.66 2h52 n GLN 151 Ca 0.04 -0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.64 2h52 n GLN 151 Cb 0.20 -1.65 0.06 0.00 0.00 0.00 0.00 30.24 28.85 2h52 n GLN 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2h52 s LEU 152 N -4.60 3.60 0.69 1.08 1.43 -0.96 -4.96 118.68 114.97 2h52 s LEU 152 Ca -0.02 2.54 -0.16 0.00 -1.03 0.00 0.00 54.13 55.46 2h52 s LEU 152 Cb 0.13 -4.61 0.02 0.00 0.03 0.00 0.00 46.19 41.75 2h52 s LEU 152 CO 0.84 -1.87 1.20 -2.16 0.23 0.00 0.00 176.35 174.59 2h52 s PRO 153 N -3.37 2.40 0.00 1.29 0.04 -1.26 -4.94 135.00 129.15 2h52 s PRO 153 Ca 0.81 1.75 0.09 0.00 0.04 0.00 0.00 61.00 63.69 2h52 s PRO 153 Cb -0.35 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.38 2h52 s PRO 153 CO 0.37 -1.64 0.73 0.54 0.04 0.00 0.00 177.00 177.05 2h52 n ARG 154 N -2.42 0.77 0.00 4.56 3.00 -1.26 -5.01 116.66 116.30 2h52 n ARG 154 Ca 0.13 -0.91 0.00 0.00 -0.01 0.00 0.00 57.85 57.06 2h52 n ARG 154 Cb 0.50 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.82 2h52 n ARG 154 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2h52 n SER 155 N 0.30 0.00 -3.77 0.55 3.41 -1.26 -0.71 113.62 112.13 2h52 n SER 155 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 2h52 n SER 155 Cb 0.21 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 2h52 n SER 155 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2h52 s GLU 156 N -2.00 0.36 0.65 4.33 2.02 0.14 -4.91 118.70 119.28 2h52 s GLU 156 Ca 0.00 0.35 -0.03 0.00 0.02 0.00 0.00 54.97 55.31 2h52 s GLU 156 Cb 0.00 0.17 0.06 0.00 0.10 0.00 0.00 34.13 34.46 2h52 s GLU 156 CO 0.00 -0.05 0.92 -1.54 0.02 0.00 0.00 175.26 174.61 2h52 s SER 157 N 0.04 4.95 0.40 -0.19 1.04 -1.26 -4.40 113.70 114.28 2h52 s SER 157 Ca -0.01 0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.72 2h52 s SER 157 Cb -0.02 -0.92 0.83 0.00 0.10 0.00 0.00 66.02 66.01 2h52 s SER 157 CO 0.01 -1.45 1.94 0.25 0.98 0.00 0.00 173.24 174.97 2h52 h LEU 158 N -0.33 0.21 -0.59 2.42 5.85 -1.61 -1.78 115.31 119.48 2h52 h LEU 158 Ca -0.43 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 2h52 h LEU 158 Cb 1.30 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2h52 h LEU 158 CO 0.55 0.34 0.22 0.50 -0.34 0.00 0.00 178.44 179.71 2h52 h LYS 159 N 0.22 0.89 -0.66 1.25 3.64 -1.40 -1.52 116.57 118.98 2h52 h LYS 159 Ca 0.05 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2h52 h LYS 159 Cb 0.32 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2h52 h LYS 159 CO 0.02 0.77 0.43 -0.44 -2.27 0.00 0.00 179.45 177.96 2h52 h ASP 160 N 0.81 0.74 -0.11 4.20 3.32 -1.62 -1.44 116.42 122.33 2h52 h ASP 160 Ca 0.19 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.25 2h52 h ASP 160 Cb 0.23 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2h52 h ASP 160 CO -0.01 0.53 -0.05 0.58 -1.72 0.00 0.00 179.24 178.57 2h52 h VAL 161 N 0.88 0.84 -0.93 -1.35 2.07 -0.88 -2.41 116.25 114.46 2h52 h VAL 161 Ca 0.25 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.80 2h52 h VAL 161 Cb -0.08 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 2h52 h VAL 161 CO -0.06 0.00 0.61 0.25 0.02 0.00 0.00 177.57 178.38 2h52 h LEU 162 N -0.04 1.01 -1.64 2.57 5.85 -0.92 0.34 115.31 122.49 2h52 h LEU 162 Ca 0.06 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2h52 h LEU 162 Cb 0.12 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2h52 h LEU 162 CO -0.13 0.69 0.20 -0.33 -0.34 0.00 0.00 178.44 178.53 2h52 h GLU 163 N 1.18 0.43 0.00 1.25 5.08 -0.79 0.34 114.58 122.07 2h52 h GLU 163 Ca 0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2h52 h GLU 163 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2h52 h GLU 163 CO -0.12 0.30 -1.27 2.89 -1.00 0.00 0.00 179.01 179.81 2h52 n ARG 164 N -4.47 0.43 0.01 2.33 -4.01 -0.88 -4.36 116.66 105.71 2h52 n ARG 164 Ca 0.02 -0.03 -0.19 0.00 -1.04 0.00 0.00 57.85 56.61 2h52 n ARG 164 Cb 0.08 -1.62 -0.14 0.00 -3.04 0.00 0.00 32.46 27.74 2h52 n ARG 164 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 2h52 h LEU 165 N 0.00 0.36 -0.65 2.89 6.46 -0.51 -3.39 115.31 120.48 2h52 h LEU 165 Ca 0.00 -0.80 0.11 0.00 -0.12 0.00 0.00 57.88 57.07 2h52 h LEU 165 Cb 0.84 -0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 40.57 2h52 h LEU 165 CO 0.00 1.72 0.23 0.25 -0.62 0.00 0.00 178.44 180.02 2h52 h LEU 166 N 0.06 0.20 -1.27 2.25 5.85 -0.52 -1.54 115.31 120.34 2h52 h LEU 166 Ca -0.40 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.43 2h52 h LEU 166 Cb 2.04 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 43.11 2h52 h LEU 166 CO 0.09 0.10 0.50 -0.65 -0.34 0.00 0.00 178.44 178.15 2h52 h PRO 167 N 0.39 0.97 -0.32 5.25 0.11 -1.77 0.01 132.00 136.64 2h52 h PRO 167 Ca 0.34 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.29 2h52 h PRO 167 Cb 0.46 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2h52 h PRO 167 CO -0.35 0.64 -0.18 -0.92 -0.21 0.00 0.00 178.00 176.98 2h52 h TYR 168 N 1.00 0.80 0.35 0.65 3.20 -1.52 -0.69 116.97 120.76 2h52 h TYR 168 Ca 0.28 -0.21 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2h52 h TYR 168 Cb -0.08 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2h52 h TYR 168 CO -0.00 0.92 -0.17 2.35 -1.64 0.00 0.00 178.16 179.62 2h52 h TRP 169 N 0.46 -0.44 -0.80 -3.82 2.91 -0.83 -0.01 115.95 113.41 2h52 h TRP 169 Ca 0.07 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2h52 h TRP 169 Cb 0.72 0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 29.47 2h52 h TRP 169 CO 0.06 -0.23 0.52 -0.91 -1.03 0.00 0.00 178.44 176.85 2h52 h ASN 170 N -0.55 0.94 0.75 2.65 -0.26 -1.01 0.50 115.58 118.60 2h52 h ASN 170 Ca -0.05 -0.04 -0.21 0.00 -0.56 0.00 0.00 56.30 55.44 2h52 h ASN 170 Cb 0.41 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.40 2h52 h ASN 170 CO 0.08 0.69 -1.37 -0.33 -1.06 0.00 0.00 177.43 175.45 2h52 h GLU 171 N 1.09 0.00 0.00 0.81 5.08 -1.10 -3.38 114.58 117.08 2h52 h GLU 171 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2h52 h GLU 171 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2h52 h GLU 171 CO -0.06 0.47 -0.96 0.54 -1.00 0.00 0.00 179.01 177.99 2h52 n ARG 172 N -3.03 2.92 -0.12 2.33 1.74 -0.03 -4.76 116.66 115.70 2h52 n ARG 172 Ca -0.10 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.76 2h52 n ARG 172 Cb 0.91 -0.98 -0.09 0.00 -1.02 0.00 0.00 32.46 31.29 2h52 n ARG 172 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2h52 n ILE 173 N -1.81 1.52 -0.30 0.55 5.41 -0.85 -4.43 119.36 119.44 2h52 n ILE 173 Ca 0.00 -0.17 0.09 0.00 1.00 0.00 0.00 62.75 63.67 2h52 n ILE 173 Cb 0.36 -2.04 0.25 0.00 -0.71 0.00 0.00 39.64 37.50 2h52 n ILE 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2h52 h ALA 174 N -0.88 1.34 -0.88 -1.39 0.00 -0.21 -0.84 119.26 116.40 2h52 h ALA 174 Ca -0.45 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2h52 h ALA 174 Cb 1.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2h52 h ALA 174 CO -0.27 -0.13 0.57 -1.35 0.00 0.00 0.00 179.25 178.07 2h52 h PRO 175 N 0.60 1.01 -0.27 0.00 0.11 -1.80 -0.60 132.00 131.05 2h52 h PRO 175 Ca 0.49 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.43 2h52 h PRO 175 Cb 0.74 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2h52 h PRO 175 CO -0.39 0.67 -0.27 0.93 -0.21 0.00 0.00 178.00 178.73 2h52 h GLU 176 N 1.04 0.53 -0.41 1.05 4.39 -1.38 -2.17 114.58 117.63 2h52 h GLU 176 Ca 0.36 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 2h52 h GLU 176 Cb 0.11 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2h52 h GLU 176 CO -0.12 0.75 0.14 0.28 -1.16 0.00 0.00 179.01 178.90 2h52 h VAL 177 N 0.46 1.21 0.00 3.13 2.07 -0.68 -1.86 116.25 120.59 2h52 h VAL 177 Ca 0.06 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2h52 h VAL 177 Cb 0.71 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2h52 h VAL 177 CO 0.05 0.24 0.00 0.18 0.02 0.00 0.00 177.57 178.07 2h52 n LEU 178 N -4.60 0.59 -0.80 2.57 4.77 -0.36 -1.24 117.00 117.93 2h52 n LEU 178 Ca -0.00 0.67 0.09 0.00 -0.03 0.00 0.00 56.01 56.74 2h52 n LEU 178 Cb 0.17 -0.61 0.27 0.00 -2.33 0.00 0.00 43.42 40.92 2h52 n LEU 178 CO 0.38 -0.60 0.72 0.54 -1.33 0.00 0.00 177.39 177.09 2h52 n ARG 179 N -2.18 2.03 -1.04 3.23 1.74 -0.85 -4.92 116.66 114.67 2h52 n ARG 179 Ca 0.02 -1.57 -0.01 0.00 -0.77 0.00 0.00 57.85 55.51 2h52 n ARG 179 Cb 0.19 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 2h52 n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2h52 n GLY 180 N 1.25 0.51 3.78 -0.13 0.00 -0.38 -5.02 105.19 105.20 2h52 n GLY 180 Ca 0.16 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 2h52 n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h52 s LYS 181 N -1.25 4.45 -0.41 1.61 -0.14 -0.76 -5.01 119.74 118.23 2h52 s LYS 181 Ca 0.00 1.41 -0.23 0.00 -1.36 0.00 0.00 55.97 55.79 2h52 s LYS 181 Cb 0.00 -2.73 0.02 0.00 -1.68 0.00 0.00 37.83 33.44 2h52 s LYS 181 CO 0.00 0.14 0.77 0.99 -0.76 0.00 0.00 175.35 176.50 2h52 s THR 182 N -1.62 4.69 -0.01 2.17 2.01 -1.26 -4.59 115.64 117.04 2h52 s THR 182 Ca 0.52 0.60 0.03 0.00 0.31 0.00 0.00 61.69 63.16 2h52 s THR 182 Cb -0.20 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 2h52 s THR 182 CO 0.26 -0.59 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.89 2h52 s ILE 183 N 3.19 3.57 -0.12 1.82 1.01 -1.26 -0.84 121.20 128.57 2h52 s ILE 183 Ca 0.30 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.22 2h52 s ILE 183 Cb -0.13 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2h52 s ILE 183 CO 0.20 0.42 -0.22 -0.22 0.00 0.00 0.00 174.94 175.12 2h52 s LEU 184 N -1.31 2.16 -0.29 2.97 2.96 -0.99 -1.78 118.68 122.40 2h52 s LEU 184 Ca 0.16 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 2h52 s LEU 184 Cb -0.11 -1.44 0.05 0.00 0.50 0.00 0.00 46.19 45.18 2h52 s LEU 184 CO 0.06 0.13 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.58 2h52 s ILE 185 N 0.55 2.98 -0.60 6.68 1.01 0.91 -0.97 121.20 131.76 2h52 s ILE 185 Ca -0.13 -1.31 -0.17 0.00 0.00 0.00 0.00 60.65 59.03 2h52 s ILE 185 Cb -0.17 -2.68 0.12 0.00 0.01 0.00 0.00 42.46 39.75 2h52 s ILE 185 CO 0.04 -0.05 0.64 -0.55 0.00 0.00 0.00 174.94 175.02 2h52 s SER 186 N 1.27 6.25 0.00 3.58 0.15 -0.03 -1.71 113.70 123.20 2h52 s SER 186 Ca -0.04 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 54.91 2h52 s SER 186 Cb -0.19 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2h52 s SER 186 CO -0.02 -0.97 0.00 0.00 1.20 0.00 0.00 173.24 173.46 2h52 n ALA 187 N 5.71 0.00 -2.52 5.45 0.00 -0.15 -3.71 120.51 125.29 2h52 n ALA 187 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 2h52 n ALA 187 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 2h52 n ALA 187 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2h52 s HIS 188 N 2.37 1.83 0.12 0.00 3.76 -1.26 -3.43 115.29 118.67 2h52 s HIS 188 Ca 0.00 -1.19 -0.30 0.00 -0.15 0.00 0.00 55.06 53.43 2h52 s HIS 188 Cb 0.00 -1.22 -0.08 0.00 1.11 0.00 0.00 32.58 32.39 2h52 s HIS 188 CO 0.00 -0.19 1.60 0.78 -0.85 0.00 0.00 174.74 176.08 2h52 h GLY 189 N 1.83 -0.73 1.56 -2.22 0.00 -1.93 -1.77 103.07 99.81 2h52 h GLY 189 Ca -0.37 0.46 -0.25 0.00 0.00 0.00 0.00 47.33 47.17 2h52 h GLY 189 CO 0.61 -0.26 -1.30 3.43 0.00 0.00 0.00 176.54 179.02 2h52 h ASN 190 N -0.59 0.04 0.21 0.19 2.35 -1.97 -2.55 115.58 113.27 2h52 h ASN 190 Ca 0.04 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 2h52 h ASN 190 Cb 0.64 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 2h52 h ASN 190 CO -0.25 1.05 -0.33 0.77 -1.65 0.00 0.00 177.43 177.02 2h52 h SER 191 N 0.01 0.18 -0.19 5.81 4.64 -1.81 -0.29 113.55 121.90 2h52 h SER 191 Ca -0.13 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 60.93 2h52 h SER 191 Cb 1.88 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2h52 h SER 191 CO 0.12 0.51 -0.63 0.28 -0.87 0.00 0.00 176.83 176.23 2h52 h SER 192 N 0.16 0.92 -0.51 4.97 0.02 -1.37 -2.41 113.55 115.33 2h52 h SER 192 Ca 0.02 -0.53 -0.05 0.00 -0.84 0.00 0.00 61.79 60.39 2h52 h SER 192 Cb 0.66 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2h52 h SER 192 CO 0.05 1.33 0.15 0.03 -1.14 0.00 0.00 176.83 177.24 2h52 h ARG 193 N 0.60 0.86 -0.32 3.45 3.08 -0.99 -0.71 114.38 120.35 2h52 h ARG 193 Ca -0.01 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 2h52 h ARG 193 Cb 1.24 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2h52 h ARG 193 CO 0.13 0.77 0.14 0.00 -1.07 0.00 0.00 179.97 179.94 2h52 h ALA 194 N 1.33 0.41 -0.40 0.04 0.00 -0.94 0.33 119.26 120.02 2h52 h ALA 194 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2h52 h ALA 194 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2h52 h ALA 194 CO -0.00 -0.00 0.15 1.25 0.00 0.00 0.00 179.25 180.65 2h52 h LEU 195 N 0.37 0.57 -0.67 0.00 6.46 -1.11 -2.61 115.31 118.32 2h52 h LEU 195 Ca 0.11 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 2h52 h LEU 195 Cb 0.16 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 2h52 h LEU 195 CO -0.01 0.60 0.31 -0.07 -0.62 0.00 0.00 178.44 178.65 2h52 h LEU 196 N 0.51 0.89 -0.62 2.25 3.38 -0.98 -0.26 115.31 120.48 2h52 h LEU 196 Ca 0.13 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2h52 h LEU 196 Cb 0.22 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2h52 h LEU 196 CO -0.01 0.79 0.26 0.50 0.09 0.00 0.00 178.44 180.07 2h52 h LYS 197 N 0.94 0.45 0.61 1.13 3.64 -0.75 0.48 116.57 123.07 2h52 h LYS 197 Ca 0.23 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2h52 h LYS 197 Cb 0.14 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2h52 h LYS 197 CO -0.03 0.30 -0.29 1.25 -2.27 0.00 0.00 179.45 178.41 2h52 h HIS 198 N 0.47 -0.76 -0.04 1.91 2.76 -1.07 -0.44 115.15 117.98 2h52 h HIS 198 Ca 0.31 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2h52 h HIS 198 Cb 0.34 0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 2h52 h HIS 198 CO -0.14 -0.42 -0.04 -0.07 -1.30 0.00 0.00 177.93 175.95 2h52 h LEU 199 N -1.10 0.05 -1.19 0.26 3.38 -0.88 -2.45 115.31 113.38 2h52 h LEU 199 Ca -0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2h52 h LEU 199 Cb 0.67 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2h52 h LEU 199 CO 0.14 0.10 -0.33 -0.62 0.09 0.00 0.00 178.44 177.82 2h52 n GLU 200 N -4.45 1.47 -3.43 1.13 1.02 0.14 -0.49 120.64 116.04 2h52 n GLU 200 Ca -0.02 -1.19 -0.20 0.00 -0.02 0.00 0.00 57.16 55.72 2h52 n GLU 200 Cb 0.14 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.16 2h52 n GLU 200 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h52 n GLY 201 N 1.39 -0.32 3.74 0.62 0.00 -0.51 -4.92 105.19 105.20 2h52 n GLY 201 Ca 0.11 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2h52 n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h52 s ILE 202 N -3.27 3.93 0.74 -0.61 1.01 -0.29 -5.01 121.20 117.69 2h52 s ILE 202 Ca 0.49 1.65 -0.13 0.00 0.00 0.00 0.00 60.65 62.65 2h52 s ILE 202 Cb -0.22 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.25 2h52 s ILE 202 CO 0.62 0.27 1.14 -0.94 0.00 0.00 0.00 174.94 176.04 2h52 s SER 203 N -0.05 4.37 0.61 3.58 1.04 -1.26 -4.79 113.70 117.20 2h52 s SER 203 Ca 0.50 2.12 0.31 0.00 0.48 0.00 0.00 55.95 59.35 2h52 s SER 203 Cb -0.29 -2.56 1.74 0.00 0.10 0.00 0.00 66.02 65.01 2h52 s SER 203 CO 0.34 -2.13 2.09 0.44 0.98 0.00 0.00 173.24 174.96 2h52 h ASP 204 N -0.56 0.00 0.19 7.02 3.32 -1.99 -1.98 116.42 122.42 2h52 h ASP 204 Ca -0.46 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.24 2h52 h ASP 204 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2h52 h ASP 204 CO 0.50 0.00 -1.90 -0.33 -1.72 0.00 0.00 179.24 175.79 2h52 h GLU 205 N 0.00 0.27 0.00 3.56 3.07 -2.00 -3.39 114.58 116.09 2h52 h GLU 205 Ca 0.07 -0.47 -0.11 0.00 -0.50 0.00 0.00 59.36 58.36 2h52 h GLU 205 Cb 0.51 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 2h52 h GLU 205 CO -0.00 1.18 -0.50 -0.44 -1.40 0.00 0.00 179.01 177.85 2h52 h ASP 206 N 0.07 0.00 0.12 1.42 3.32 -1.73 -3.21 116.42 116.41 2h52 h ASP 206 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2h52 h ASP 206 Cb 2.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.60 2h52 h ASP 206 CO 0.11 0.50 -0.03 -0.29 -1.72 0.00 0.00 179.24 177.81 2h52 h ILE 207 N 0.00 0.47 0.00 0.35 6.09 -1.60 -1.80 117.51 121.02 2h52 h ILE 207 Ca -0.01 -0.16 -0.01 0.00 -1.37 0.00 0.00 64.86 63.32 2h52 h ILE 207 Cb 1.05 1.10 -0.00 0.00 0.47 0.00 0.00 36.82 39.44 2h52 h ILE 207 CO 0.07 0.03 -0.04 -0.29 -3.07 0.00 0.00 178.15 174.85 2h52 h ILE 208 N 0.00 0.35 -0.29 2.19 2.10 -1.63 -1.85 117.51 118.38 2h52 h ILE 208 Ca -0.00 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 2h52 h ILE 208 Cb 0.10 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 2h52 h ILE 208 CO 0.00 0.04 0.00 0.59 -1.08 0.00 0.00 178.15 177.70 2h52 n ASN 209 N -3.51 2.47 -4.60 2.19 3.02 -0.68 -4.81 115.26 109.35 2h52 n ASN 209 Ca -0.02 -1.86 -0.39 0.00 -0.03 0.00 0.00 54.58 52.28 2h52 n ASN 209 Cb 0.15 -0.19 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 2h52 n ASN 209 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2h52 s ILE 210 N -1.62 5.24 -0.06 2.41 -1.09 -0.70 -5.06 121.20 120.32 2h52 s ILE 210 Ca 0.35 0.36 0.04 0.00 -2.23 0.00 0.00 60.65 59.17 2h52 s ILE 210 Cb 0.19 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 2h52 s ILE 210 CO 0.28 0.20 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.13 2h52 s THR 211 N 1.91 1.46 -0.15 2.92 2.01 -1.26 -5.05 115.64 117.47 2h52 s THR 211 Ca 0.11 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 2h52 s THR 211 Cb -0.16 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2h52 s THR 211 CO 0.10 0.42 0.02 -0.76 -0.69 0.00 0.00 174.62 173.72 2h52 s LEU 212 N 0.28 3.63 0.48 4.42 1.43 -1.26 -4.95 118.68 122.72 2h52 s LEU 212 Ca -0.10 0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 2h52 s LEU 212 Cb -0.14 -1.89 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 2h52 s LEU 212 CO 0.04 0.22 1.02 -2.16 0.23 0.00 0.00 176.35 175.70 2h52 s PRO 213 N 0.05 3.86 0.42 1.29 0.04 -1.26 -4.96 135.00 134.44 2h52 s PRO 213 Ca 0.03 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 2h52 s PRO 213 Cb -0.13 -2.11 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 2h52 s PRO 213 CO 0.01 -0.37 0.95 0.95 0.04 0.00 0.00 177.00 178.58 2h52 s THR 214 N -2.07 4.38 -1.55 1.26 -4.23 -1.26 -4.13 115.64 108.04 2h52 s THR 214 Ca 0.66 1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 62.63 2h52 s THR 214 Cb -0.15 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.08 2h52 s THR 214 CO 0.20 -0.29 0.47 0.61 -0.54 0.00 0.00 174.62 175.07 2h52 n GLY 215 N -0.57 -0.52 3.00 3.99 0.00 0.15 -4.88 105.19 106.37 2h52 n GLY 215 Ca 0.07 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2h52 n GLY 215 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h52 s VAL 216 N -3.11 1.28 0.22 1.61 1.01 -1.26 -4.77 120.40 115.38 2h52 s VAL 216 Ca 0.25 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 2h52 s VAL 216 Cb -0.11 -1.20 -0.11 0.00 0.00 0.00 0.00 36.38 34.95 2h52 s VAL 216 CO 0.31 0.40 1.64 -2.84 0.00 0.00 0.00 175.10 174.61 2h52 s PRO 217 N 1.20 4.15 -0.22 2.72 0.02 -1.26 -4.53 135.00 137.09 2h52 s PRO 217 Ca -0.03 2.53 -0.06 0.00 0.02 0.00 0.00 61.00 63.46 2h52 s PRO 217 Cb -0.14 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 2h52 s PRO 217 CO -0.04 -0.67 0.02 0.42 -0.33 0.00 0.00 177.00 176.40 2h52 s ILE 218 N 0.78 4.00 -0.13 2.83 1.01 0.83 -1.39 121.20 129.13 2h52 s ILE 218 Ca 0.70 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.93 2h52 s ILE 218 Cb -0.48 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 2h52 s ILE 218 CO 0.37 0.40 0.29 -0.76 0.00 0.00 0.00 174.94 175.23 2h52 s LEU 219 N 1.24 4.30 -0.07 2.97 1.43 0.85 -2.11 118.68 127.28 2h52 s LEU 219 Ca 0.04 0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.67 2h52 s LEU 219 Cb -0.15 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.75 2h52 s LEU 219 CO 0.02 0.18 0.16 -0.22 0.23 0.00 0.00 176.35 176.71 2h52 s LEU 220 N 0.01 0.74 -0.13 1.79 2.96 -1.15 -0.99 118.68 121.92 2h52 s LEU 220 Ca 0.17 0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 2h52 s LEU 220 Cb -0.13 0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.95 2h52 s LEU 220 CO 0.05 -0.14 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.14 2h52 s GLU 221 N 1.09 3.39 0.18 1.98 2.12 -1.26 -1.74 118.70 124.47 2h52 s GLU 221 Ca -0.08 -0.62 0.09 0.00 0.36 0.00 0.00 54.97 54.71 2h52 s GLU 221 Cb -0.11 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 2h52 s GLU 221 CO -0.06 0.28 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.34 2h52 s LEU 222 N 0.21 2.98 0.00 2.70 1.43 0.29 -0.94 118.68 125.36 2h52 s LEU 222 Ca -0.06 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2h52 s LEU 222 Cb -0.15 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.45 2h52 s LEU 222 CO 0.04 0.10 0.27 -0.90 0.23 0.00 0.00 176.35 176.09 2h52 n ASP 223 N -0.01 0.56 0.21 2.29 5.68 0.23 -0.48 116.55 125.04 2h52 n ASP 223 Ca -0.10 -1.43 0.18 0.00 -0.50 0.00 0.00 54.79 52.94 2h52 n ASP 223 Cb 0.56 -0.16 0.84 0.00 -1.14 0.00 0.00 41.12 41.22 2h52 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2h52 h GLU 224 N 0.00 0.00 -0.58 0.11 4.39 -1.82 0.17 114.58 116.84 2h52 h GLU 224 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2h52 h GLU 224 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2h52 h GLU 224 CO 0.12 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.06 2h52 n ASN 225 N -3.64 4.83 -3.76 1.42 3.02 -1.26 -4.94 115.26 110.93 2h52 n ASN 225 Ca 0.02 -2.59 -0.27 0.00 -0.03 0.00 0.00 54.58 51.71 2h52 n ASN 225 Cb 0.36 -0.58 0.05 0.00 -0.61 0.00 0.00 39.78 39.00 2h52 n ASN 225 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2h52 n LEU 226 N 0.83 -2.99 -4.43 3.41 4.77 0.59 -5.00 117.00 114.18 2h52 n LEU 226 Ca 0.25 -0.66 -0.31 0.00 -0.03 0.00 0.00 56.01 55.27 2h52 n LEU 226 Cb 0.94 -2.80 -0.13 0.00 -2.33 0.00 0.00 43.42 39.10 2h52 n LEU 226 CO 0.24 0.57 -0.51 -0.13 -1.33 0.00 0.00 177.39 176.23 2h52 s ARG 227 N -6.47 1.99 0.27 3.23 1.81 -1.26 -4.82 118.95 113.70 2h52 s ARG 227 Ca 0.63 -1.02 -0.31 0.00 -1.72 0.00 0.00 55.73 53.31 2h52 s ARG 227 Cb -0.30 -2.13 -0.13 0.00 -0.45 0.00 0.00 34.95 31.94 2h52 s ARG 227 CO 0.78 0.53 1.49 0.00 -0.68 0.00 0.00 175.30 177.42 2h52 n ALA 228 N 1.57 1.77 0.07 2.13 0.00 0.36 -0.60 120.51 125.81 2h52 n ALA 228 Ca -0.16 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 2h52 n ALA 228 Cb 0.52 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 17.49 2h52 n ALA 228 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2h52 h VAL 229 N 3.16 1.62 -3.70 0.00 2.07 -1.35 -3.45 116.25 114.59 2h52 h VAL 229 Ca -0.46 -3.29 -0.13 0.00 0.82 0.00 0.00 66.70 63.64 2h52 h VAL 229 Cb 1.25 2.87 -0.07 0.00 -1.52 0.00 0.00 31.29 33.83 2h52 h VAL 229 CO 0.77 0.94 -0.06 -0.83 0.02 0.00 0.00 177.57 178.40 2h52 s GLY 230 N -4.70 0.87 0.73 2.17 0.00 -1.26 -5.11 107.32 100.02 2h52 s GLY 230 Ca -0.01 -1.10 -0.13 0.00 0.00 0.00 0.00 44.72 43.48 2h52 s GLY 230 CO 0.84 -0.70 1.13 2.56 0.00 0.00 0.00 173.10 176.93 2h52 s PRO 231 N -3.30 2.33 0.67 2.90 0.04 -1.26 -4.76 135.00 131.62 2h52 s PRO 231 Ca 0.24 1.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 2h52 s PRO 231 Cb -0.02 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2h52 s PRO 231 CO 0.14 -1.62 1.28 -3.38 0.04 0.00 0.00 177.00 173.45 2h52 s HIS 232 N -2.44 2.04 0.17 0.56 -3.43 -1.26 -4.91 115.29 106.02 2h52 s HIS 232 Ca 0.67 1.52 0.09 0.00 -0.80 0.00 0.00 55.06 56.53 2h52 s HIS 232 Cb -0.22 -3.65 -0.04 0.00 -1.43 0.00 0.00 32.58 27.24 2h52 s HIS 232 CO 0.48 -2.89 -0.18 -0.65 -2.00 0.00 0.00 174.74 169.50 2h52 s GLN 233 N -3.51 1.28 -0.14 -0.38 -0.21 -0.16 -4.96 119.66 111.57 2h52 s GLN 233 Ca 0.81 -1.41 -0.03 0.00 0.02 0.00 0.00 55.36 54.74 2h52 s GLN 233 Cb -0.36 -1.33 -0.03 0.00 1.00 0.00 0.00 33.01 32.29 2h52 s GLN 233 CO 0.41 0.27 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.76 2h52 s PHE 234 N -2.06 3.05 -0.25 0.91 0.40 -1.26 -0.11 117.98 118.65 2h52 s PHE 234 Ca 0.16 -0.20 -0.20 0.00 -0.60 0.00 0.00 56.93 56.09 2h52 s PHE 234 Cb -0.06 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 2h52 s PHE 234 CO 0.07 0.06 0.63 -1.17 0.70 0.00 0.00 175.22 175.50 2h52 s LEU 235 N 0.15 4.06 0.00 -0.37 2.96 -0.49 -4.94 118.68 120.06 2h52 s LEU 235 Ca -0.01 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 2h52 s LEU 235 Cb -0.14 -2.85 0.00 0.00 0.50 0.00 0.00 46.19 43.70 2h52 s LEU 235 CO 0.03 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 2h52 n GLY 236 N 4.15 0.87 3.59 7.98 0.00 -1.26 -4.38 105.19 116.15 2h52 n GLY 236 Ca -0.01 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 2h52 n GLY 236 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h52 s ASP 237 N -4.00 5.95 0.45 1.61 -1.08 -1.26 -4.89 116.67 113.45 2h52 s ASP 237 Ca 0.00 1.09 0.15 0.00 -0.52 0.00 0.00 52.55 53.27 2h52 s ASP 237 Cb 0.00 -2.53 1.08 0.00 -1.46 0.00 0.00 42.92 40.01 2h52 s ASP 237 CO 0.00 -1.70 2.01 1.56 0.52 0.00 0.00 175.17 177.56 2h52 h GLN 238 N 12.50 0.32 -0.24 4.34 1.08 -1.96 -0.69 115.11 130.46 2h52 h GLN 238 Ca -0.31 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 56.75 2h52 h GLN 238 Cb 1.15 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2h52 h GLN 238 CO 1.06 0.21 -0.32 0.93 -0.95 0.00 0.00 178.83 179.76 2h52 h GLU 239 N 0.33 0.64 -0.27 1.46 5.08 -1.99 -0.66 114.58 119.16 2h52 h GLU 239 Ca 0.23 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2h52 h GLU 239 Cb 0.46 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2h52 h GLU 239 CO -0.05 0.98 -0.21 0.00 -1.00 0.00 0.00 179.01 178.72 2h52 h ALA 240 N 0.65 1.13 -0.34 3.43 0.00 -1.82 -1.04 119.26 121.27 2h52 h ALA 240 Ca 0.03 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2h52 h ALA 240 Cb 0.90 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2h52 h ALA 240 CO 0.08 0.54 -0.19 0.82 0.00 0.00 0.00 179.25 180.49 2h52 h ILE 241 N 0.44 1.29 -0.14 0.00 2.04 -1.01 -0.19 117.51 119.94 2h52 h ILE 241 Ca 0.07 -1.32 -0.14 0.00 1.00 0.00 0.00 64.86 64.47 2h52 h ILE 241 Cb 0.62 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2h52 h ILE 241 CO 0.04 0.43 -0.51 1.56 0.00 0.00 0.00 178.15 179.68 2h52 h GLN 242 N 0.50 0.38 -0.50 2.37 1.08 -0.98 -1.34 115.11 116.62 2h52 h GLN 242 Ca 0.07 -0.22 -0.09 0.00 -1.45 0.00 0.00 58.65 56.96 2h52 h GLN 242 Cb 0.74 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 2h52 h GLN 242 CO 0.06 0.80 -0.06 0.00 -0.95 0.00 0.00 178.83 178.67 2h52 h ALA 243 N 1.16 0.96 -0.24 3.87 0.00 -1.08 -1.12 119.26 122.81 2h52 h ALA 243 Ca 0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2h52 h ALA 243 Cb 1.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2h52 h ALA 243 CO 0.09 0.62 -0.34 0.00 0.00 0.00 0.00 179.25 179.62 2h52 h ALA 244 N 1.13 0.97 -0.42 0.00 0.00 -0.75 -1.44 119.26 118.74 2h52 h ALA 244 Ca 0.14 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 2h52 h ALA 244 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2h52 h ALA 244 CO 0.03 0.61 -0.27 0.82 0.00 0.00 0.00 179.25 180.44 2h52 h ILE 245 N 0.44 1.27 -0.68 0.00 2.04 -0.92 -2.51 117.51 117.16 2h52 h ILE 245 Ca 0.05 -1.43 -0.08 0.00 1.00 0.00 0.00 64.86 64.40 2h52 h ILE 245 Cb 0.80 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2h52 h ILE 245 CO 0.07 0.48 0.11 0.50 0.00 0.00 0.00 178.15 179.31 2h52 h LYS 246 N 0.77 1.12 -0.35 2.37 3.64 -0.94 -1.39 116.57 121.78 2h52 h LYS 246 Ca 0.09 -0.30 0.04 0.00 -1.27 0.00 0.00 60.65 59.21 2h52 h LYS 246 Cb 0.83 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 2h52 h LYS 246 CO 0.07 1.02 0.14 0.87 -2.27 0.00 0.00 179.45 179.29 2h52 h LYS 247 N 1.05 0.30 -0.84 1.90 1.57 -1.10 0.33 116.57 119.77 2h52 h LYS 247 Ca 0.21 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2h52 h LYS 247 Cb 0.44 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 2h52 h LYS 247 CO 0.01 0.20 0.42 0.28 -0.57 0.00 0.00 179.45 179.79 2h52 h VAL 248 N 0.30 1.25 -0.52 0.50 2.07 -1.13 -2.33 116.25 116.40 2h52 h VAL 248 Ca 0.16 -0.69 -0.12 0.00 0.82 0.00 0.00 66.70 66.87 2h52 h VAL 248 Cb 0.11 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2h52 h VAL 248 CO -0.14 0.30 -0.15 -0.33 0.02 0.00 0.00 177.57 177.26 2h52 h GLU 249 N 1.19 1.01 0.00 1.57 5.08 -0.50 -3.06 114.58 119.87 2h52 h GLU 249 Ca 0.29 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2h52 h GLU 249 Cb 0.09 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2h52 h GLU 249 CO -0.04 1.08 0.00 -0.44 -1.00 0.00 0.00 179.01 178.61 2h52 h ASP 250 N 0.89 0.00 0.60 1.42 3.32 0.13 -2.66 116.42 120.12 2h52 h ASP 250 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2h52 h ASP 250 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 2h52 h ASP 250 CO 0.06 0.00 -0.01 1.56 -1.72 0.00 0.00 179.24 179.13 2h52 h GLN 251 N 0.00 0.00 -0.61 3.56 4.20 -1.33 -1.96 115.11 118.97 2h52 h GLN 251 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2h52 h GLN 251 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2h52 h GLN 251 CO 0.00 0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 2h52 n GLY 252 N -0.42 2.90 3.42 3.46 0.00 -1.00 -3.11 105.19 110.44 2h52 n GLY 252 Ca -0.01 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 2h52 n GLY 252 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h52 s LYS 253 N -2.31 1.52 0.36 1.61 1.02 -0.74 -4.72 119.74 116.47 2h52 s LYS 253 Ca 0.53 -1.53 -0.20 0.00 0.02 0.00 0.00 55.97 54.79 2h52 s LYS 253 Cb 0.37 -1.83 -0.10 0.00 -0.52 0.00 0.00 37.83 35.76 2h52 s LYS 253 CO 0.20 0.39 0.86 0.14 -0.92 0.00 0.00 175.35 176.03 2h52 s VAL 254 N -1.71 4.47 0.78 3.17 -7.23 -1.26 -4.85 120.40 113.77 2h52 s VAL 254 Ca 0.21 1.35 -0.16 0.00 -1.81 0.00 0.00 61.98 61.56 2h52 s VAL 254 Cb -0.08 -3.69 -0.07 0.00 0.56 0.00 0.00 36.38 33.10 2h52 s VAL 254 CO 0.10 -0.16 0.10 2.29 -0.31 0.00 0.00 175.10 177.12 2h52 n LYS 255 N -0.25 0.09 0.00 4.82 0.00 -1.26 -5.17 118.16 116.39 2h52 n LYS 255 Ca 0.04 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2h52 n LYS 255 Cb 0.53 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 2h52 n LYS 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40