#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h52 h LYS 3 N 0.00 0.32 -6.00 4.33 3.64 -1.80 -3.46 116.57 113.60 2h52 h LYS 3 Ca 0.00 -0.21 -0.53 0.00 -1.27 0.00 0.00 60.65 58.64 2h52 h LYS 3 Cb 0.00 0.03 -0.18 0.00 -0.41 0.00 0.00 32.23 31.66 2h52 h LYS 3 CO 0.00 0.80 -0.79 0.71 -2.27 0.00 0.00 179.45 177.90 2h52 s TYR 4 N -4.00 1.84 0.01 1.91 1.51 -0.61 -5.01 117.35 112.99 2h52 s TYR 4 Ca -0.14 -0.46 0.05 0.00 -1.01 0.00 0.00 57.07 55.51 2h52 s TYR 4 Cb 0.04 -0.93 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 2h52 s TYR 4 CO 0.76 0.32 -0.15 0.15 -1.11 0.00 0.00 175.55 175.51 2h52 s LYS 5 N -2.65 1.15 0.01 -0.62 1.02 -1.26 -0.70 119.74 116.69 2h52 s LYS 5 Ca 0.14 -0.62 -0.02 0.00 0.02 0.00 0.00 55.97 55.50 2h52 s LYS 5 Cb -0.06 -1.14 -0.01 0.00 -0.52 0.00 0.00 37.83 36.10 2h52 s LYS 5 CO 0.06 0.30 0.03 -1.17 -0.92 0.00 0.00 175.35 173.65 2h52 s LEU 6 N -0.60 2.00 -0.10 3.17 0.20 -0.18 -4.48 118.68 118.67 2h52 s LEU 6 Ca 0.05 -0.32 0.04 0.00 0.69 0.00 0.00 54.13 54.58 2h52 s LEU 6 Cb -0.06 0.26 -0.00 0.00 -0.43 0.00 0.00 46.19 45.95 2h52 s LEU 6 CO 0.00 -0.27 -0.23 -0.63 -0.29 0.00 0.00 176.35 174.93 2h52 s ILE 7 N -1.18 2.15 0.10 6.68 -1.09 -0.80 -0.90 121.20 126.15 2h52 s ILE 7 Ca -0.13 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.32 2h52 s ILE 7 Cb -0.08 -1.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 2h52 s ILE 7 CO -0.00 0.56 -0.07 0.00 -1.23 0.00 0.00 174.94 174.20 2h52 s MET 8 N 0.35 0.83 0.03 2.79 0.23 -0.61 -0.07 119.30 122.85 2h52 s MET 8 Ca -0.18 -1.31 -0.28 0.00 -1.03 0.00 0.00 55.69 52.89 2h52 s MET 8 Cb -0.18 -0.23 0.09 0.00 -1.53 0.00 0.00 34.83 32.99 2h52 s MET 8 CO 0.09 -0.01 0.95 -0.48 -2.03 0.00 0.00 175.02 173.54 2h52 s LEU 9 N -2.97 -0.28 0.03 0.18 0.05 -0.63 -0.47 118.68 114.60 2h52 s LEU 9 Ca 0.11 -0.13 0.03 0.00 0.05 0.00 0.00 54.13 54.19 2h52 s LEU 9 Cb 0.04 1.98 -0.04 0.00 -2.05 0.00 0.00 46.19 46.13 2h52 s LEU 9 CO -0.04 -0.66 -0.01 0.00 -0.55 0.00 0.00 176.35 175.09 2h52 s ARG 10 N -3.08 2.67 1.07 1.48 1.70 -1.26 -0.93 118.95 120.60 2h52 s ARG 10 Ca 0.08 -0.70 -0.13 0.00 -0.47 0.00 0.00 55.73 54.51 2h52 s ARG 10 Cb -0.01 -2.60 0.23 0.00 -0.57 0.00 0.00 34.95 32.00 2h52 s ARG 10 CO -0.05 0.59 1.07 -3.38 -1.08 0.00 0.00 175.30 172.45 2h52 s HIS 11 N -1.14 1.81 0.63 5.89 -3.43 -1.18 -1.38 115.29 116.48 2h52 s HIS 11 Ca 0.21 1.02 -0.11 0.00 -0.80 0.00 0.00 55.06 55.38 2h52 s HIS 11 Cb -0.11 -3.21 0.15 0.00 -1.43 0.00 0.00 32.58 27.98 2h52 s HIS 11 CO 0.12 -3.32 0.64 0.41 -2.00 0.00 0.00 174.74 170.60 2h52 n GLY 12 N -0.42 -2.22 3.78 -1.38 0.00 -1.26 -3.19 105.19 100.51 2h52 n GLY 12 Ca 0.04 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 2h52 n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h52 s GLU 13 N -4.44 2.05 0.13 1.61 -1.05 -1.26 -4.85 118.70 110.90 2h52 s GLU 13 Ca 0.40 0.82 0.01 0.00 -0.15 0.00 0.00 54.97 56.05 2h52 s GLU 13 Cb -0.03 -1.90 -0.00 0.00 -0.44 0.00 0.00 34.13 31.76 2h52 s GLU 13 CO 0.30 -1.69 0.04 0.41 0.95 0.00 0.00 175.26 175.26 2h52 n GLY 14 N -1.69 3.87 0.35 -3.83 0.00 -1.26 -2.30 105.19 100.33 2h52 n GLY 14 Ca 0.07 -2.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 1.19 1.19 0.00 4.61 0.00 -1.91 -2.29 119.26 122.06 2h52 h ALA 15 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2h52 h ALA 15 Cb 0.38 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2h52 h ALA 15 CO 0.17 0.55 0.00 0.91 0.00 0.00 0.00 179.25 180.88 2h52 n TRP 16 N -4.45 0.00 0.10 0.00 7.02 -1.26 -2.57 117.44 116.27 2h52 n TRP 16 Ca 0.11 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.36 2h52 n TRP 16 Cb 0.03 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 28.77 2h52 n TRP 16 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 2h52 h ASN 17 N 0.00 0.69 0.15 -0.99 4.21 -1.71 -0.03 115.58 117.91 2h52 h ASN 17 Ca 0.00 -0.91 -0.19 0.00 1.21 0.00 0.00 56.30 56.41 2h52 h ASN 17 Cb 0.00 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 36.98 2h52 h ASN 17 CO 0.00 1.75 -0.73 0.11 -1.29 0.00 0.00 177.43 177.27 2h52 h LYS 18 N 0.12 0.50 0.00 0.81 1.57 -1.64 -2.73 116.57 115.20 2h52 h LYS 18 Ca -0.31 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 2h52 h LYS 18 Cb 2.12 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.52 2h52 h LYS 18 CO 0.21 1.04 0.00 0.39 -0.57 0.00 0.00 179.45 180.52 2h52 n GLU 19 N -3.87 0.21 -3.56 3.15 1.02 -1.15 -4.95 120.64 111.50 2h52 n GLU 19 Ca -0.05 0.22 -0.23 0.00 -0.02 0.00 0.00 57.16 57.08 2h52 n GLU 19 Cb 0.71 -1.77 0.05 0.00 -0.02 0.00 0.00 31.44 30.41 2h52 n GLU 19 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2h52 n ASN 20 N -2.15 -4.20 -4.31 1.62 5.15 -0.23 -4.83 115.26 106.31 2h52 n ASN 20 Ca 0.05 -0.85 -0.28 0.00 -0.60 0.00 0.00 54.58 52.90 2h52 n ASN 20 Cb 0.38 -4.19 -0.14 0.00 -0.53 0.00 0.00 39.78 35.31 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 -5.51 1.54 -0.07 1.20 0.52 -0.19 -1.10 118.95 115.34 2h52 s ARG 21 Ca 0.30 -1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 54.12 2h52 s ARG 21 Cb -0.08 -1.75 -0.06 0.00 0.52 0.00 0.00 34.95 33.58 2h52 s ARG 21 CO 0.81 0.44 1.82 -0.06 0.02 0.00 0.00 175.30 178.33 2h52 s PHE 22 N -0.88 1.66 -0.19 -0.53 0.08 -0.55 -4.76 117.98 112.81 2h52 s PHE 22 Ca 0.10 0.06 -0.16 0.00 0.12 0.00 0.00 56.93 57.05 2h52 s PHE 22 Cb -0.10 -4.05 -0.12 0.00 -0.57 0.00 0.00 43.02 38.19 2h52 s PHE 22 CO 0.03 -4.34 -0.01 0.00 -0.10 0.00 0.00 175.22 170.80 2h52 n SER 24 N -4.47 0.00 0.00 0.00 2.88 -1.26 -1.70 113.62 109.07 2h52 n SER 24 Ca -0.25 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.37 2h52 n SER 24 Cb 0.56 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.46 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 -2.07 0.66 7.02 -1.26 -4.71 117.44 131.08 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 -0.22 -0.03 0.00 -2.42 0.00 0.00 31.31 28.64 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 -2.45 3.44 -0.49 -0.99 1.01 -0.69 -4.85 120.40 115.38 2h52 s VAL 26 Ca 0.18 0.79 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 2h52 s VAL 26 Cb 0.11 -3.51 -0.14 0.00 0.00 0.00 0.00 36.38 32.85 2h52 s VAL 26 CO 0.24 -0.02 2.57 -0.67 0.00 0.00 0.00 175.10 177.22 2h52 n ASP 27 N 5.85 4.74 -4.77 3.32 4.64 -1.26 -4.93 116.55 124.15 2h52 n ASP 27 Ca 0.15 -2.28 -0.38 0.00 -1.38 0.00 0.00 54.79 50.90 2h52 n ASP 27 Cb 0.42 -1.10 -0.02 0.00 -1.04 0.00 0.00 41.12 39.38 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 2.20 4.04 0.53 -0.67 0.74 -1.26 -4.83 119.66 120.40 2h52 s GLN 28 Ca 0.48 1.79 -0.06 0.00 0.05 0.00 0.00 55.36 57.61 2h52 s GLN 28 Cb 0.18 -2.63 -0.03 0.00 1.10 0.00 0.00 33.01 31.63 2h52 s GLN 28 CO -0.02 -0.32 0.85 0.15 -0.55 0.00 0.00 175.29 175.41 2h52 s LYS 29 N -2.36 3.46 0.56 1.67 1.02 -1.26 -4.20 119.74 118.63 2h52 s LYS 29 Ca 0.58 0.28 -0.19 0.00 0.02 0.00 0.00 55.97 56.66 2h52 s LYS 29 Cb -0.29 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.67 2h52 s LYS 29 CO 0.37 -0.36 1.12 -0.51 -0.92 0.00 0.00 175.35 175.05 2h52 s LEU 30 N -4.87 3.69 0.00 3.17 1.43 -1.26 -4.14 118.68 116.70 2h52 s LEU 30 Ca 0.50 2.12 0.08 0.00 -1.03 0.00 0.00 54.13 55.80 2h52 s LEU 30 Cb -0.10 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.63 2h52 s LEU 30 CO 0.47 -1.25 0.75 -0.46 0.23 0.00 0.00 176.35 176.08 2h52 n ASN 31 N -1.47 1.86 -0.21 2.29 0.23 -0.97 -4.88 115.26 112.10 2h52 n ASN 31 Ca 0.11 -2.37 0.01 0.00 -0.53 0.00 0.00 54.58 51.80 2h52 n ASN 31 Cb 0.51 -0.41 0.10 0.00 -2.08 0.00 0.00 39.78 37.91 2h52 n ASN 31 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2h52 h SER 32 N 0.03 -0.34 -0.61 0.53 0.87 -1.96 -1.45 113.55 110.62 2h52 h SER 32 Ca -0.25 0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 2h52 h SER 32 Cb 1.13 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 2h52 h SER 32 CO 0.35 -0.14 0.01 -0.33 -0.53 0.00 0.00 176.83 176.19 2h52 h GLU 33 N 0.09 1.06 -0.28 2.24 4.39 -1.94 -2.62 114.58 117.51 2h52 h GLU 33 Ca 0.33 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2h52 h GLU 33 Cb 0.54 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2h52 h GLU 33 CO -0.57 1.03 0.06 0.78 -1.16 0.00 0.00 179.01 179.15 2h52 h GLY 34 N 0.96 0.43 1.01 -3.84 0.00 -1.36 -0.21 103.07 100.06 2h52 h GLY 34 Ca 0.17 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 2h52 h GLY 34 CO 0.03 0.20 -0.33 -0.33 0.00 0.00 0.00 176.54 176.11 2h52 h MET 35 N 0.40 0.75 -0.49 4.80 2.86 -1.09 -2.40 114.93 119.75 2h52 h MET 35 Ca 0.10 -0.41 -0.06 0.00 -2.06 0.00 0.00 59.70 57.26 2h52 h MET 35 Cb 0.18 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2h52 h MET 35 CO -0.00 1.03 0.04 1.49 1.06 0.00 0.00 176.91 180.53 2h52 h GLU 36 N 0.51 0.80 -0.95 1.72 4.57 -1.06 -0.86 114.58 119.31 2h52 h GLU 36 Ca 0.04 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2h52 h GLU 36 Cb 0.91 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.35 2h52 h GLU 36 CO 0.08 0.77 0.62 0.93 -1.18 0.00 0.00 179.01 180.24 2h52 h GLU 37 N 0.75 1.20 -0.50 1.92 5.08 -0.88 0.69 114.58 122.84 2h52 h GLU 37 Ca 0.15 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2h52 h GLU 37 Cb 0.40 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2h52 h GLU 37 CO 0.01 0.79 -0.12 0.00 -1.00 0.00 0.00 179.01 178.69 2h52 h ALA 38 N 1.37 0.84 -0.48 3.43 0.00 -0.79 -1.90 119.26 121.74 2h52 h ALA 38 Ca 0.37 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2h52 h ALA 38 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2h52 h ALA 38 CO -0.10 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.74 2h52 h ARG 39 N 0.83 0.85 -0.22 0.00 3.08 -0.29 -1.91 114.38 116.71 2h52 h ARG 39 Ca 0.13 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 2h52 h ARG 39 Cb 0.66 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2h52 h ARG 39 CO 0.05 0.89 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.70 2h52 h ASN 40 N 0.77 0.39 -0.31 7.04 2.35 -0.63 -1.28 115.58 123.92 2h52 h ASN 40 Ca 0.14 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2h52 h ASN 40 Cb 0.55 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2h52 h ASN 40 CO 0.03 0.62 0.04 0.00 -1.65 0.00 0.00 177.43 176.47 2h52 h GLY 42 N 0.34 1.18 1.25 0.00 0.00 -1.00 -0.13 103.07 104.71 2h52 h GLY 42 Ca 0.09 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 2h52 h GLY 42 CO 0.01 0.48 0.01 0.50 0.00 0.00 0.00 176.54 177.54 2h52 h LYS 43 N 1.11 0.91 -0.46 4.80 1.57 -1.07 0.40 116.57 123.83 2h52 h LYS 43 Ca 0.29 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 2h52 h LYS 43 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2h52 h LYS 43 CO -0.05 0.90 -0.14 0.37 -0.57 0.00 0.00 179.45 179.95 2h52 h GLN 44 N 0.85 0.88 -0.14 3.15 5.75 -0.68 -1.18 115.11 123.73 2h52 h GLN 44 Ca 0.16 -0.32 -0.14 0.00 -0.15 0.00 0.00 58.65 58.19 2h52 h GLN 44 Cb 0.48 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 2h52 h GLN 44 CO 0.02 0.96 -0.52 -0.07 -2.65 0.00 0.00 178.83 176.57 2h52 h LEU 45 N 0.78 0.45 -0.80 -2.39 3.38 -0.67 -2.85 115.31 113.22 2h52 h LEU 45 Ca 0.12 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2h52 h LEU 45 Cb 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2h52 h LEU 45 CO 0.05 0.89 -0.33 0.50 0.09 0.00 0.00 178.44 179.64 2h52 h LYS 46 N 0.32 0.53 0.00 1.13 3.64 -0.69 -1.76 116.57 119.74 2h52 h LYS 46 Ca 0.01 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2h52 h LYS 46 Cb 1.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2h52 h LYS 46 CO 0.09 0.79 0.00 0.00 -2.27 0.00 0.00 179.45 178.06 2h52 h ALA 47 N 1.20 1.00 -0.41 5.00 0.00 -0.99 -1.85 119.26 123.19 2h52 h ALA 47 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2h52 h ALA 47 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2h52 h ALA 47 CO 0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.59 2h52 n LEU 48 N -3.03 3.93 -1.82 0.00 4.77 -0.89 -4.98 117.00 114.98 2h52 n LEU 48 Ca -0.01 -2.53 -0.20 0.00 -0.03 0.00 0.00 56.01 53.24 2h52 n LEU 48 Cb 0.21 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 2h52 n LEU 48 CO 0.24 0.73 -0.22 0.59 -1.33 0.00 0.00 177.39 177.40 2h52 n ASN 49 N 0.33 -5.55 -4.71 -1.43 3.02 -0.70 -4.94 115.26 101.27 2h52 n ASN 49 Ca 0.20 0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 54.64 2h52 n ASN 49 Cb 0.76 -4.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.16 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 -2.84 3.05 -0.36 3.10 0.40 -0.71 -4.97 117.98 115.65 2h52 s PHE 50 Ca 0.00 0.67 0.02 0.00 -0.60 0.00 0.00 56.93 57.02 2h52 s PHE 50 Cb 0.00 -3.88 0.11 0.00 0.51 0.00 0.00 43.02 39.76 2h52 s PHE 50 CO 0.00 -3.23 0.11 -1.21 0.70 0.00 0.00 175.22 171.59 2h52 s GLU 51 N 1.28 1.20 0.45 0.44 2.02 -1.26 -4.81 118.70 118.01 2h52 s GLU 51 Ca 0.69 -1.64 -0.22 0.00 0.02 0.00 0.00 54.97 53.82 2h52 s GLU 51 Cb -0.42 -2.63 -0.09 0.00 0.10 0.00 0.00 34.13 31.09 2h52 s GLU 51 CO 0.31 -1.00 1.03 -0.06 0.02 0.00 0.00 175.26 175.56 2h52 s PHE 52 N 1.01 3.13 -0.02 1.61 0.40 -1.26 -4.64 117.98 118.20 2h52 s PHE 52 Ca 0.12 1.61 0.10 0.00 -0.60 0.00 0.00 56.93 58.16 2h52 s PHE 52 Cb -0.20 -3.07 -0.15 0.00 0.51 0.00 0.00 43.02 40.11 2h52 s PHE 52 CO -0.13 -0.68 0.20 -0.25 0.70 0.00 0.00 175.22 175.07 2h52 n ASP 53 N -0.58 2.65 -3.58 1.36 10.43 0.24 -4.93 116.55 122.13 2h52 n ASP 53 Ca 0.07 0.00 -0.16 0.00 2.57 0.00 0.00 54.79 57.27 2h52 n ASP 53 Cb 0.52 1.38 -0.07 0.00 1.84 0.00 0.00 41.12 44.79 2h52 n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2h52 s LEU 54 N -3.83 -0.42 -0.04 0.64 0.20 -1.21 -4.35 118.68 109.67 2h52 s LEU 54 Ca -0.04 0.78 0.03 0.00 0.69 0.00 0.00 54.13 55.59 2h52 s LEU 54 Cb 0.06 2.30 0.00 0.00 -0.43 0.00 0.00 46.19 48.13 2h52 s LEU 54 CO 0.42 -0.50 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.17 2h52 s VAL 55 N -0.84 1.12 -0.06 1.68 1.01 -0.29 -2.37 120.40 120.65 2h52 s VAL 55 Ca -0.09 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.41 2h52 s VAL 55 Cb -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2h52 s VAL 55 CO 0.07 0.34 -0.19 -0.36 0.00 0.00 0.00 175.10 174.96 2h52 s PHE 56 N 0.25 2.59 0.32 5.22 0.40 0.01 -0.42 117.98 126.35 2h52 s PHE 56 Ca -0.06 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 2h52 s PHE 56 Cb -0.12 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2h52 s PHE 56 CO 0.02 -0.01 0.21 0.95 0.70 0.00 0.00 175.22 177.09 2h52 s THR 57 N -0.41 0.16 0.03 0.64 -4.23 -0.17 0.08 115.64 111.74 2h52 s THR 57 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2h52 s THR 57 Cb -0.12 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.25 2h52 s THR 57 CO 0.02 0.00 0.04 -1.54 -0.54 0.00 0.00 174.62 172.59 2h52 n SER 58 N -1.24 0.06 -1.20 3.99 3.41 -1.24 -1.64 113.62 115.76 2h52 n SER 58 Ca 0.03 -1.05 0.12 0.00 -0.26 0.00 0.00 58.87 57.71 2h52 n SER 58 Cb 0.64 -0.02 0.24 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.35 0.61 -2.92 -3.33 0.24 -1.21 -4.18 118.33 106.20 2h52 n VAL 59 Ca 0.01 -0.81 -0.41 0.00 -2.04 0.00 0.00 64.34 61.09 2h52 n VAL 59 Cb 0.02 0.88 -0.04 0.00 -1.47 0.00 0.00 33.84 33.23 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 -1.37 4.22 0.54 1.34 1.43 -1.26 -4.95 118.68 118.63 2h52 s LEU 60 Ca 0.41 1.20 0.25 0.00 -1.03 0.00 0.00 54.13 54.96 2h52 s LEU 60 Cb 0.23 -3.21 1.42 0.00 0.03 0.00 0.00 46.19 44.66 2h52 s LEU 60 CO 0.32 -0.31 2.02 -0.55 0.23 0.00 0.00 176.35 178.05 2h52 h ASN 61 N 7.16 0.00 0.02 2.29 -1.07 -1.88 -2.14 115.58 119.96 2h52 h ASN 61 Ca -0.33 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.02 2h52 h ASN 61 Cb 1.15 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.40 2h52 h ASN 61 CO 0.81 0.00 -0.05 0.08 0.07 0.00 0.00 177.43 178.33 2h52 h ARG 62 N 0.00 0.10 0.00 4.14 0.11 -1.91 0.12 114.38 116.94 2h52 h ARG 62 Ca 0.20 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 60.08 2h52 h ARG 62 Cb 0.85 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.89 2h52 h ARG 62 CO -0.00 0.17 -0.93 0.66 0.10 0.00 0.00 179.97 179.97 2h52 h SER 63 N 0.10 0.00 -0.04 0.08 4.64 -1.72 -2.63 113.55 113.98 2h52 h SER 63 Ca 0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2h52 h SER 63 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2h52 h SER 63 CO 0.01 0.90 -0.14 0.40 -0.87 0.00 0.00 176.83 177.12 2h52 h ILE 64 N 0.00 1.47 -0.17 0.95 2.04 -1.34 -2.31 117.51 118.14 2h52 h ILE 64 Ca -0.02 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 2h52 h ILE 64 Cb 1.70 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 40.18 2h52 h ILE 64 CO 0.11 0.44 0.04 0.45 0.00 0.00 0.00 178.15 179.19 2h52 h HIS 65 N -0.40 0.23 -0.34 1.37 3.86 -0.89 -0.03 115.15 118.95 2h52 h HIS 65 Ca -0.01 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 2h52 h HIS 65 Cb 0.78 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2h52 h HIS 65 CO 0.14 0.21 0.03 1.15 0.86 0.00 0.00 177.93 180.32 2h52 h THR 66 N 0.24 1.25 -0.61 2.45 2.02 -1.40 -0.41 112.91 116.45 2h52 h THR 66 Ca 0.06 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 2h52 h THR 66 Cb 0.10 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2h52 h THR 66 CO -0.00 0.30 0.20 0.00 0.37 0.00 0.00 175.52 176.39 2h52 h ALA 67 N 0.88 0.80 -0.48 6.16 0.00 -0.74 -1.17 119.26 124.71 2h52 h ALA 67 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2h52 h ALA 67 Cb 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2h52 h ALA 67 CO 0.01 0.46 0.26 -1.49 0.00 0.00 0.00 179.25 178.49 2h52 h TRP 68 N 0.87 0.66 -0.33 0.00 6.55 -0.83 0.67 115.95 123.54 2h52 h TRP 68 Ca 0.20 -0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.93 2h52 h TRP 68 Cb 0.27 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.35 2h52 h TRP 68 CO 0.02 0.50 -0.17 -0.07 -1.05 0.00 0.00 178.44 177.67 2h52 h LEU 69 N 0.63 0.60 -0.14 -4.49 3.38 -0.91 -0.89 115.31 113.49 2h52 h LEU 69 Ca 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2h52 h LEU 69 Cb 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2h52 h LEU 69 CO -0.03 0.78 -0.01 0.40 0.09 0.00 0.00 178.44 179.68 2h52 h ILE 70 N 0.54 1.26 -0.72 1.22 2.04 -0.85 -2.34 117.51 118.66 2h52 h ILE 70 Ca 0.09 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 2h52 h ILE 70 Cb 0.60 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2h52 h ILE 70 CO 0.04 0.26 0.37 -0.07 0.00 0.00 0.00 178.15 178.74 2h52 h LEU 71 N -0.01 0.92 -0.04 1.44 3.38 -0.68 -1.83 115.31 118.47 2h52 h LEU 71 Ca 0.04 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2h52 h LEU 71 Cb 0.39 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2h52 h LEU 71 CO 0.01 0.76 0.02 -0.08 0.09 0.00 0.00 178.44 179.24 2h52 h GLU 72 N 1.02 0.06 -0.54 1.13 4.81 -1.06 0.25 114.58 120.25 2h52 h GLU 72 Ca 0.25 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.55 2h52 h GLU 72 Cb 0.07 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2h52 h GLU 72 CO -0.04 0.14 0.36 0.93 -0.73 0.00 0.00 179.01 179.67 2h52 h GLU 73 N -0.03 0.42 0.00 1.92 4.39 -1.12 -0.38 114.58 119.77 2h52 h GLU 73 Ca 0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2h52 h GLU 73 Cb 0.10 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2h52 h GLU 73 CO -0.00 0.27 -0.18 1.28 -1.16 0.00 0.00 179.01 179.23 2h52 n LEU 74 N -4.47 0.44 -1.35 1.33 4.77 -0.72 -4.85 117.00 112.15 2h52 n LEU 74 Ca 0.08 0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 56.35 2h52 n LEU 74 Cb 0.29 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2h52 n LEU 74 CO 0.34 -0.05 -0.13 0.61 -1.33 0.00 0.00 177.39 176.84 2h52 n GLY 75 N 1.42 -0.09 1.17 -0.72 0.00 0.27 -4.93 105.19 102.31 2h52 n GLY 75 Ca 0.06 -0.39 -0.05 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 -2.15 2.28 0.30 1.61 6.02 0.62 -4.81 117.38 121.26 2h52 n GLN 76 Ca -0.13 -3.59 0.19 0.00 -0.01 0.00 0.00 57.00 53.47 2h52 n GLN 76 Cb 0.60 -1.81 1.02 0.00 1.02 0.00 0.00 30.24 31.07 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 1.45 0.00 0.00 -1.09 3.07 -1.90 -1.18 114.58 114.93 2h52 h GLU 77 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2h52 h GLU 77 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2h52 h GLU 77 CO 0.28 0.00 0.00 -2.67 -1.40 0.00 0.00 179.01 175.22 2h52 n TRP 78 N -2.87 0.34 -2.04 4.33 4.27 -1.26 -4.86 117.44 115.35 2h52 n TRP 78 Ca -0.02 0.10 -0.42 0.00 -3.89 0.00 0.00 57.50 53.26 2h52 n TRP 78 Cb 0.12 -0.66 -0.03 0.00 -1.36 0.00 0.00 31.31 29.38 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 -3.04 2.95 0.22 -1.67 1.01 -0.45 -4.93 120.40 114.50 2h52 s VAL 79 Ca 0.13 0.67 -0.32 0.00 0.00 0.00 0.00 61.98 62.46 2h52 s VAL 79 Cb 0.17 -3.43 -0.14 0.00 0.00 0.00 0.00 36.38 32.98 2h52 s VAL 79 CO 0.55 0.05 1.44 -2.65 0.00 0.00 0.00 175.10 174.49 2h52 n PRO 80 N 4.07 2.04 -5.09 2.72 -0.02 -1.26 -4.82 135.00 132.63 2h52 n PRO 80 Ca 0.13 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 62.02 2h52 n PRO 80 Cb 0.40 -2.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.13 2.53 -0.03 -1.45 1.01 -1.26 -1.14 120.40 120.19 2h52 s VAL 81 Ca 0.70 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2h52 s VAL 81 Cb -0.66 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2h52 s VAL 81 CO 0.47 0.57 -0.09 -0.70 0.00 0.00 0.00 175.10 175.35 2h52 s GLU 82 N -0.70 1.00 0.06 2.72 2.12 0.43 -4.96 118.70 119.37 2h52 s GLU 82 Ca 0.11 -0.32 0.09 0.00 0.36 0.00 0.00 54.97 55.20 2h52 s GLU 82 Cb -0.10 -0.93 -0.03 0.00 0.26 0.00 0.00 34.13 33.33 2h52 s GLU 82 CO -0.00 0.12 -0.24 -1.12 -0.54 0.00 0.00 175.26 173.48 2h52 s SER 83 N 0.17 2.89 -0.10 -1.70 0.01 -1.26 -1.00 113.70 112.71 2h52 s SER 83 Ca -0.03 -0.58 -0.13 0.00 1.31 0.00 0.00 55.95 56.51 2h52 s SER 83 Cb -0.08 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.93 2h52 s SER 83 CO 0.01 0.20 0.35 -0.55 0.41 0.00 0.00 173.24 173.66 2h52 s SER 84 N -1.32 -0.32 0.56 2.44 0.15 -0.65 -4.91 113.70 109.65 2h52 s SER 84 Ca 0.10 0.54 0.37 0.00 0.70 0.00 0.00 55.95 57.65 2h52 s SER 84 Cb -0.10 0.61 1.75 0.00 -1.71 0.00 0.00 66.02 66.57 2h52 s SER 84 CO 0.02 -0.23 2.10 4.11 1.20 0.00 0.00 173.24 180.45 2h52 h TRP 85 N 5.04 0.00 0.00 3.44 5.08 -1.90 -2.13 115.95 125.49 2h52 h TRP 85 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.70 2h52 h TRP 85 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 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 -2.96 0.09 0.00 0.12 1.74 -1.26 -1.02 116.66 113.37 2h52 n ARG 86 Ca -0.01 0.22 0.08 0.00 -0.77 0.00 0.00 57.85 57.37 2h52 n ARG 86 Cb 0.19 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.40 2.01 -4.57 0.55 4.32 -0.80 -4.22 117.00 112.88 2h52 n LEU 87 Ca 0.05 -0.88 -0.36 0.00 -0.02 0.00 0.00 56.01 54.80 2h52 n LEU 87 Cb 0.13 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.02 2h52 n LEU 87 CO 0.11 0.37 0.40 0.59 -1.22 0.00 0.00 177.39 177.64 2h52 n ASN 88 N 0.40 -0.04 -4.72 -1.43 4.13 -0.19 -4.47 115.26 108.94 2h52 n ASN 88 Ca 0.08 0.63 -0.33 0.00 1.68 0.00 0.00 54.58 56.64 2h52 n ASN 88 Cb 0.38 -1.35 0.11 0.00 -1.54 0.00 0.00 39.78 37.37 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 -3.24 1.90 0.26 3.52 2.56 -1.26 -4.62 118.70 117.82 2h52 s GLU 89 Ca 0.71 1.58 -0.30 0.00 0.00 0.00 0.00 54.97 56.95 2h52 s GLU 89 Cb -0.34 -1.82 -0.13 0.00 2.00 0.00 0.00 34.13 33.83 2h52 s GLU 89 CO 0.53 -1.98 1.33 -2.13 -0.56 0.00 0.00 175.26 172.46 2h52 n ARG 90 N -3.23 1.94 -2.53 4.30 0.00 -1.26 -4.71 116.66 111.17 2h52 n ARG 90 Ca 0.12 0.69 -0.43 0.00 -0.00 0.00 0.00 57.85 58.23 2h52 n ARG 90 Cb 0.51 -2.30 -0.02 0.00 0.00 0.00 0.00 32.46 30.66 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 -0.38 2.74 -2.00 -0.14 5.65 -1.26 -4.54 115.29 115.36 2h52 s HIS 91 Ca 0.65 0.77 0.15 0.00 0.25 0.00 0.00 55.06 56.87 2h52 s HIS 91 Cb -0.65 -4.29 0.87 0.00 -1.18 0.00 0.00 32.58 27.33 2h52 s HIS 91 CO 0.53 -1.42 1.55 0.66 -0.65 0.00 0.00 174.74 175.41 2h52 n TYR 92 N 7.96 0.00 -0.19 3.88 4.02 -1.26 -0.84 117.16 130.73 2h52 n TYR 92 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2h52 n TYR 92 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 2h52 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2h52 n GLY 93 N 0.71 3.09 0.30 2.72 0.00 -1.25 -1.63 105.19 109.14 2h52 n GLY 93 Ca 0.11 -0.07 0.17 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.56 1.23 0.00 4.61 0.00 -0.45 -2.39 119.26 121.70 2h52 h ALA 94 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2h52 h ALA 94 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2h52 h ALA 94 CO 0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2h52 n LEU 95 N -3.46 0.26 -4.70 0.00 4.77 -0.65 -4.81 117.00 108.41 2h52 n LEU 95 Ca -0.02 0.56 -0.44 0.00 -0.03 0.00 0.00 56.01 56.08 2h52 n LEU 95 Cb 0.14 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2h52 n LEU 95 CO 0.26 -0.31 1.29 -0.38 -1.33 0.00 0.00 177.39 176.92 2h52 n ILE 96 N -1.78 0.07 0.00 -0.08 5.41 -0.90 -1.68 119.36 120.40 2h52 n ILE 96 Ca 0.04 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.77 2h52 n ILE 96 Cb 0.23 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 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 3.64 2.26 3.80 7.39 0.00 0.60 -4.96 105.19 117.92 2h52 n GLY 97 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 4.12 -0.21 0.99 1.43 -0.68 -4.68 118.68 119.66 2h52 s LEU 98 Ca 0.00 1.80 -0.28 0.00 -1.03 0.00 0.00 54.13 54.62 2h52 s LEU 98 Cb 0.00 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.94 2h52 s LEU 98 CO 0.00 -0.27 0.96 0.21 0.23 0.00 0.00 176.35 177.48 2h52 s ASN 99 N -1.87 7.04 0.16 2.29 3.84 -1.26 -1.48 114.94 123.65 2h52 s ASN 99 Ca 0.57 1.29 -0.16 0.00 0.21 0.00 0.00 52.86 54.77 2h52 s ASN 99 Cb -0.15 -2.51 0.07 0.00 -0.55 0.00 0.00 41.25 38.12 2h52 s ASN 99 CO 0.19 -0.57 1.74 0.03 -2.79 0.00 0.00 177.10 175.70 2h52 h ARG 100 N 7.44 0.23 -0.45 0.43 3.08 -1.40 -1.76 114.38 121.95 2h52 h ARG 100 Ca -0.23 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 2h52 h ARG 100 Cb 1.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 2h52 h ARG 100 CO 0.92 0.15 -0.06 1.49 -1.07 0.00 0.00 179.97 181.41 2h52 h GLU 101 N 0.24 0.78 -0.37 0.04 4.81 -1.78 -1.10 114.58 117.20 2h52 h GLU 101 Ca 0.17 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2h52 h GLU 101 Cb 0.17 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2h52 h GLU 101 CO -0.20 0.82 0.22 0.37 -0.73 0.00 0.00 179.01 179.49 2h52 h GLN 102 N 0.71 0.50 -0.48 1.92 5.75 -1.84 -0.67 115.11 121.01 2h52 h GLN 102 Ca 0.13 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2h52 h GLN 102 Cb 0.52 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2h52 h GLN 102 CO 0.03 0.39 0.13 0.52 -2.65 0.00 0.00 178.83 177.25 2h52 h MET 103 N 0.48 0.72 -0.40 1.69 2.86 -1.04 -1.21 114.93 118.02 2h52 h MET 103 Ca 0.13 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2h52 h MET 103 Cb 0.02 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2h52 h MET 103 CO -0.02 0.64 -0.12 0.00 1.06 0.00 0.00 176.91 178.46 2h52 h ALA 104 N 1.45 1.04 -0.40 6.32 0.00 -0.63 0.24 119.26 127.28 2h52 h ALA 104 Ca 0.16 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2h52 h ALA 104 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2h52 h ALA 104 CO -0.01 0.58 -0.28 1.25 0.00 0.00 0.00 179.25 180.80 2h52 h LEU 105 N 0.65 0.94 0.20 0.00 5.85 -0.57 0.90 115.31 123.27 2h52 h LEU 105 Ca 0.11 -0.43 -0.32 0.00 0.84 0.00 0.00 57.88 58.08 2h52 h LEU 105 Cb 0.58 -0.26 0.03 0.00 0.37 0.00 0.00 40.66 41.38 2h52 h LEU 105 CO 0.04 1.17 -1.38 0.78 -0.34 0.00 0.00 178.44 178.70 2h52 h ASN 106 N 0.71 0.85 -0.00 1.25 2.35 -1.00 -3.39 115.58 116.35 2h52 h ASN 106 Ca 0.08 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 2h52 h ASN 106 Cb 0.86 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2h52 h ASN 106 CO 0.08 1.66 -0.30 1.41 -1.65 0.00 0.00 177.43 178.62 2h52 n HIS 107 N -3.74 0.00 0.00 1.19 8.25 0.82 -5.09 115.22 116.65 2h52 n HIS 107 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 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 1.02 2.10 0.36 -1.41 0.00 0.30 -4.42 105.19 103.15 2h52 n GLY 108 Ca 0.03 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.51 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 0.97 -0.70 1.61 5.08 -1.81 -1.84 114.58 117.90 2h52 h GLU 109 Ca 0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2h52 h GLU 109 Cb 0.00 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 2h52 h GLU 109 CO 0.00 0.64 0.31 0.93 -1.00 0.00 0.00 179.01 179.89 2h52 h GLU 110 N 1.00 1.00 -0.34 2.33 3.07 -1.91 -0.16 114.58 119.58 2h52 h GLU 110 Ca 0.35 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 59.00 2h52 h GLU 110 Cb 0.11 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2h52 h GLU 110 CO -0.11 0.79 -0.03 0.37 -1.40 0.00 0.00 179.01 178.63 2h52 h GLN 111 N 0.99 0.62 -0.62 2.33 5.75 -1.56 -1.53 115.11 121.10 2h52 h GLN 111 Ca 0.24 -0.21 -0.09 0.00 -0.15 0.00 0.00 58.65 58.44 2h52 h GLN 111 Cb 0.14 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2h52 h GLN 111 CO -0.03 0.76 0.04 0.28 -2.65 0.00 0.00 178.83 177.23 2h52 h VAL 112 N 0.41 1.26 -0.58 2.39 2.07 -1.19 -2.01 116.25 118.61 2h52 h VAL 112 Ca 0.09 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 2h52 h VAL 112 Cb 0.51 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2h52 h VAL 112 CO 0.02 0.40 0.16 -0.09 0.02 0.00 0.00 177.57 178.09 2h52 h ARG 113 N 0.98 0.88 -0.12 1.57 2.43 -0.91 0.06 114.38 119.27 2h52 h ARG 113 Ca 0.18 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2h52 h ARG 113 Cb 0.51 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2h52 h ARG 113 CO 0.02 0.78 0.03 1.25 -1.51 0.00 0.00 179.97 180.55 2h52 h LEU 114 N 0.85 0.17 -1.21 3.80 6.46 -0.95 -0.80 115.31 123.64 2h52 h LEU 114 Ca 0.19 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 2h52 h LEU 114 Cb 0.28 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 2h52 h LEU 114 CO -0.00 0.33 0.15 -0.50 -0.62 0.00 0.00 178.44 177.80 2h52 h TRP 115 N -0.00 0.71 0.01 1.25 6.55 -0.99 0.05 115.95 123.53 2h52 h TRP 115 Ca 0.04 -0.04 -0.23 0.00 0.95 0.00 0.00 58.89 59.60 2h52 h TRP 115 Cb 0.23 -0.22 0.02 0.00 -0.86 0.00 0.00 29.16 28.33 2h52 h TRP 115 CO -0.00 0.58 -0.92 0.00 -1.05 0.00 0.00 178.44 177.05 2h52 h ARG 116 N 0.69 0.60 -0.00 0.49 3.08 -0.82 -3.40 114.38 115.01 2h52 h ARG 116 Ca 0.16 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2h52 h ARG 116 Cb 0.20 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2h52 h ARG 116 CO -0.01 1.26 -0.19 0.54 -1.07 0.00 0.00 179.97 180.50 2h52 n ARG 117 N -3.97 2.58 -1.73 0.04 5.12 -0.32 -5.03 116.66 113.35 2h52 n ARG 117 Ca -0.11 -0.45 -0.38 0.00 -1.93 0.00 0.00 57.85 54.98 2h52 n ARG 117 Cb 0.83 -0.99 0.06 0.00 -1.16 0.00 0.00 32.46 31.19 2h52 n ARG 117 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2h52 n SER 118 N -0.43 2.21 0.03 0.55 2.88 -0.00 -4.15 113.62 114.71 2h52 n SER 118 Ca 0.03 0.88 -0.14 0.00 -1.33 0.00 0.00 58.87 58.32 2h52 n SER 118 Cb 0.16 -1.55 -0.14 0.00 -0.75 0.00 0.00 64.21 61.93 2h52 n SER 118 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2h52 h TYR 119 N 0.86 0.28 0.00 0.66 3.20 -1.88 -3.36 116.97 116.72 2h52 h TYR 119 Ca -0.51 -0.20 -0.23 0.00 3.14 0.00 0.00 58.73 60.93 2h52 h TYR 119 Cb 1.33 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 2h52 h TYR 119 CO 0.42 1.28 -2.19 0.09 -1.64 0.00 0.00 178.16 176.12 2h52 n ASN 120 N -3.33 0.07 -4.68 -2.11 4.13 -1.26 -0.82 115.26 107.26 2h52 n ASN 120 Ca -0.16 0.03 -0.42 0.00 1.68 0.00 0.00 54.58 55.71 2h52 n ASN 120 Cb 1.03 1.27 -0.03 0.00 -1.54 0.00 0.00 39.78 40.51 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 -2.87 3.65 -0.27 2.41 1.01 -1.26 -4.83 120.40 118.23 2h52 s VAL 121 Ca -0.09 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.75 2h52 s VAL 121 Cb 0.09 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2h52 s VAL 121 CO 0.86 -0.02 0.30 -0.89 0.00 0.00 0.00 175.10 175.34 2h52 s THR 122 N 2.76 5.23 0.93 3.92 2.01 -1.26 -4.30 115.64 124.94 2h52 s THR 122 Ca 0.66 0.41 -0.11 0.00 0.31 0.00 0.00 61.69 62.96 2h52 s THR 122 Cb -0.32 -3.63 0.15 0.00 0.01 0.00 0.00 72.50 68.71 2h52 s THR 122 CO 0.27 0.20 1.10 -2.16 -0.69 0.00 0.00 174.62 173.34 2h52 s PRO 123 N 1.87 0.95 0.29 4.92 0.04 -1.26 -4.92 135.00 136.89 2h52 s PRO 123 Ca 0.12 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 2h52 s PRO 123 Cb -0.16 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 2h52 s PRO 123 CO 0.10 -2.55 1.49 -2.14 0.04 0.00 0.00 177.00 173.94 2h52 s PRO 124 N -4.74 4.20 0.55 0.56 0.02 -1.26 -4.70 135.00 129.63 2h52 s PRO 124 Ca 0.65 2.44 -0.21 0.00 0.02 0.00 0.00 61.00 63.90 2h52 s PRO 124 Cb -0.21 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 2h52 s PRO 124 CO 0.59 -0.50 1.31 -0.35 -0.33 0.00 0.00 177.00 177.71 2h52 n PRO 125 N 1.84 1.57 -2.56 5.54 -0.04 -1.26 0.10 135.00 140.19 2h52 n PRO 125 Ca 0.06 0.58 -0.41 0.00 -0.04 0.00 0.00 63.50 63.69 2h52 n PRO 125 Cb 0.39 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 31.30 2h52 n PRO 125 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2h52 s ILE 126 N -1.31 4.00 0.24 0.52 2.07 0.20 -3.87 121.20 123.04 2h52 s ILE 126 Ca 0.72 1.72 0.07 0.00 -1.41 0.00 0.00 60.65 61.75 2h52 s ILE 126 Cb -0.42 -4.10 -0.04 0.00 0.13 0.00 0.00 42.46 38.04 2h52 s ILE 126 CO 0.49 0.29 0.16 -1.61 -1.91 0.00 0.00 174.94 172.36 2h52 s GLU 127 N -0.32 2.84 0.59 3.50 2.02 -1.26 -4.92 118.70 121.15 2h52 s GLU 127 Ca 0.49 -1.07 0.28 0.00 0.02 0.00 0.00 54.97 54.70 2h52 s GLU 127 Cb -0.28 -2.53 1.54 0.00 0.10 0.00 0.00 34.13 32.96 2h52 s GLU 127 CO 0.34 0.41 1.98 1.05 0.02 0.00 0.00 175.26 179.06 2h52 h GLU 128 N 1.71 0.00 0.00 1.61 4.11 -1.98 0.28 114.58 120.31 2h52 h GLU 128 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2h52 h GLU 128 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2h52 h GLU 128 CO 0.61 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.56 2h52 n SER 129 N -3.78 0.00 -4.77 3.06 3.41 -1.26 -4.76 113.62 105.52 2h52 n SER 129 Ca 0.06 0.08 -0.41 0.00 -0.26 0.00 0.00 58.87 58.34 2h52 n SER 129 Cb 0.54 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 2h52 n SER 129 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2h52 s HIS 130 N -2.71 3.15 0.43 7.33 2.46 0.98 -4.90 115.29 122.03 2h52 s HIS 130 Ca 0.23 1.47 0.24 0.00 0.47 0.00 0.00 55.06 57.47 2h52 s HIS 130 Cb 0.19 -3.61 1.31 0.00 -0.13 0.00 0.00 32.58 30.34 2h52 s HIS 130 CO 0.45 -1.61 1.71 -1.35 -2.47 0.00 0.00 174.74 171.47 2h52 h PRO 131 N 3.46 0.00 0.00 2.88 0.11 -1.88 -2.38 132.00 134.19 2h52 h PRO 131 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2h52 h PRO 131 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2h52 h PRO 131 CO 0.66 0.00 -0.20 0.66 -0.21 0.00 0.00 178.00 178.91 2h52 n TYR 132 N -2.60 0.00 0.17 0.65 4.02 -1.26 -4.84 117.16 113.29 2h52 n TYR 132 Ca -0.02 -0.56 -0.13 0.00 -0.01 0.00 0.00 57.90 57.18 2h52 n TYR 132 Cb 0.36 -0.10 -0.08 0.00 -0.02 0.00 0.00 39.34 39.49 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 0.00 -0.40 -0.42 -0.72 3.20 -1.70 -3.15 116.97 113.78 2h52 h TYR 133 Ca 0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2h52 h TYR 133 Cb 1.14 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2h52 h TYR 133 CO 0.04 -0.08 0.27 1.96 -1.64 0.00 0.00 178.16 178.71 2h52 h GLN 134 N -0.74 0.53 0.00 1.82 1.08 -1.86 -1.69 115.11 114.25 2h52 h GLN 134 Ca -0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2h52 h GLN 134 Cb 0.50 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2h52 h GLN 134 CO 0.07 0.35 0.13 1.05 -0.95 0.00 0.00 178.83 179.48 2h52 h GLU 135 N 0.55 0.00 0.00 1.46 -0.00 -1.89 -2.28 114.58 112.41 2h52 h GLU 135 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.50 2h52 h GLU 135 Cb -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.71 2h52 h GLU 135 CO -0.05 0.00 -0.92 -0.89 -0.00 0.00 0.00 179.01 177.15 2h52 n ILE 136 N -2.70 1.48 1.34 -1.06 5.41 -0.72 -4.63 119.36 118.48 2h52 n ILE 136 Ca -0.02 0.14 0.13 0.00 1.00 0.00 0.00 62.75 64.00 2h52 n ILE 136 Cb 0.18 -2.34 0.69 0.00 -0.71 0.00 0.00 39.64 37.45 2h52 n ILE 136 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2h52 n TYR 137 N -4.49 0.00 1.09 1.39 4.02 -0.72 -3.18 117.16 115.26 2h52 n TYR 137 Ca -0.14 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.88 2h52 n TYR 137 Cb 0.47 -0.23 0.26 0.00 -0.02 0.00 0.00 39.34 39.81 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 -1.23 2.52 -4.72 7.72 4.13 -0.86 -4.93 115.26 117.88 2h52 n ASN 138 Ca 0.14 -1.83 -0.42 0.00 1.68 0.00 0.00 54.58 54.15 2h52 n ASN 138 Cb 0.19 -0.03 -0.04 0.00 -1.54 0.00 0.00 39.78 38.36 2h52 n ASN 138 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2h52 s ASP 139 N -1.92 7.40 0.54 6.41 -1.08 -1.19 -4.94 116.67 121.89 2h52 s ASP 139 Ca 0.32 1.76 0.27 0.00 -0.52 0.00 0.00 52.55 54.38 2h52 s ASP 139 Cb 0.20 -2.58 1.43 0.00 -1.46 0.00 0.00 42.92 40.51 2h52 s ASP 139 CO 0.31 -0.19 1.97 -0.09 0.52 0.00 0.00 175.17 177.69 2h52 h ARG 140 N 6.20 0.00 -0.03 4.34 2.43 -1.92 -1.52 114.38 123.88 2h52 h ARG 140 Ca -0.42 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.76 2h52 h ARG 140 Cb 1.22 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2h52 h ARG 140 CO 0.74 0.00 0.03 0.07 -1.51 0.00 0.00 179.97 179.30 2h52 h ARG 141 N 0.00 0.00 -0.10 0.20 0.11 -1.96 0.16 114.38 112.79 2h52 h ARG 141 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 2h52 h ARG 141 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 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 -4.04 0.11 0.93 4.08 4.01 -0.57 -3.59 117.16 118.09 2h52 n TYR 142 Ca -0.02 -0.06 0.11 0.00 -0.16 0.00 0.00 57.90 57.77 2h52 n TYR 142 Cb 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.65 0.04 -1.29 -0.72 5.02 0.04 -4.26 118.16 117.64 2h52 n LYS 143 Ca 0.17 -0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.42 2h52 n LYS 143 Cb 0.44 -1.51 0.12 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.57 2.01 -2.81 -0.18 0.24 -1.17 -4.94 118.33 109.91 2h52 n VAL 144 Ca 0.04 -3.29 -0.21 0.00 -2.04 0.00 0.00 64.34 58.85 2h52 n VAL 144 Cb 0.35 -0.28 0.06 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.39 0.00 -4.10 0.00 5.68 -1.26 -4.70 116.55 109.77 2h52 n ASP 146 Ca 0.13 -0.19 -0.13 0.00 -0.50 0.00 0.00 54.79 54.10 2h52 n ASP 146 Cb 0.60 -0.16 -0.11 0.00 -1.14 0.00 0.00 41.12 40.31 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 -2.32 0.66 0.56 2.12 -7.23 -1.26 -5.14 120.40 107.79 2h52 s VAL 147 Ca 0.19 -1.32 -0.21 0.00 -1.81 0.00 0.00 61.98 58.83 2h52 s VAL 147 Cb 0.11 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 36.07 2h52 s VAL 147 CO 0.22 -0.48 1.32 -2.65 -0.31 0.00 0.00 175.10 173.20 2h52 n PRO 148 N 1.07 1.58 -0.29 4.82 -0.02 -1.26 -4.85 135.00 136.04 2h52 n PRO 148 Ca -0.20 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 2h52 n PRO 148 Cb 0.56 -2.54 0.27 0.00 -0.02 0.00 0.00 33.50 31.78 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 1.28 0.24 0.00 2.45 5.85 -1.92 0.78 115.31 123.99 2h52 h LEU 149 Ca -0.51 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2h52 h LEU 149 Cb 1.31 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2h52 h LEU 149 CO 0.56 -0.01 0.00 -0.90 -0.34 0.00 0.00 178.44 177.75 2h52 n ASP 150 N -5.07 0.00 0.06 1.25 5.75 -1.26 -2.29 116.55 114.99 2h52 n ASP 150 Ca 0.20 -0.02 0.11 0.00 -0.01 0.00 0.00 54.79 55.08 2h52 n ASP 150 Cb 0.60 -0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.28 0.55 -1.92 0.11 3.00 0.27 -4.94 117.38 113.17 2h52 n GLN 151 Ca 0.09 0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.73 2h52 n GLN 151 Cb 0.15 -1.71 0.03 0.00 0.00 0.00 0.00 30.24 28.71 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 -4.86 3.90 0.74 1.08 1.43 -0.97 -4.97 118.68 115.02 2h52 s LEU 152 Ca -0.01 2.63 -0.13 0.00 -1.03 0.00 0.00 54.13 55.59 2h52 s LEU 152 Cb 0.12 -4.26 0.04 0.00 0.03 0.00 0.00 46.19 42.12 2h52 s LEU 152 CO 0.82 -1.38 1.14 -2.16 0.23 0.00 0.00 176.35 175.00 2h52 s PRO 153 N -2.84 2.26 0.00 1.29 0.04 -1.26 -4.95 135.00 129.54 2h52 s PRO 153 Ca 0.69 1.48 0.07 0.00 0.04 0.00 0.00 61.00 63.29 2h52 s PRO 153 Cb -0.37 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2h52 s PRO 153 CO 0.44 -1.68 0.69 0.54 0.04 0.00 0.00 177.00 177.03 2h52 n ARG 154 N -2.95 0.50 0.00 4.56 3.00 -1.26 -5.01 116.66 115.49 2h52 n ARG 154 Ca 0.11 -0.85 0.00 0.00 -0.01 0.00 0.00 57.85 57.10 2h52 n ARG 154 Cb 0.52 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.87 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 0.27 0.00 -3.78 0.55 3.41 -1.26 -0.62 113.62 112.18 2h52 n SER 155 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 2h52 n SER 155 Cb 0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.99 0.38 0.70 4.33 2.02 -0.02 -4.92 118.70 119.21 2h52 s GLU 156 Ca 0.00 0.28 -0.05 0.00 0.02 0.00 0.00 54.97 55.22 2h52 s GLU 156 Cb 0.00 0.18 0.07 0.00 0.10 0.00 0.00 34.13 34.48 2h52 s GLU 156 CO 0.00 -0.06 1.00 -1.54 0.02 0.00 0.00 175.26 174.67 2h52 s SER 157 N -0.12 4.73 0.37 -0.19 1.04 -1.26 -4.44 113.70 113.84 2h52 s SER 157 Ca -0.03 0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.77 2h52 s SER 157 Cb -0.03 -0.92 0.72 0.00 0.10 0.00 0.00 66.02 65.89 2h52 s SER 157 CO 0.01 -1.63 1.93 0.25 0.98 0.00 0.00 173.24 174.78 2h52 h LEU 158 N -0.56 0.41 -0.69 2.42 5.85 -1.65 -1.67 115.31 119.43 2h52 h LEU 158 Ca -0.43 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 2h52 h LEU 158 Cb 1.30 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2h52 h LEU 158 CO 0.56 0.46 0.36 0.50 -0.34 0.00 0.00 178.44 179.97 2h52 h LYS 159 N 0.44 0.97 -0.63 1.25 3.64 -1.29 -1.62 116.57 119.33 2h52 h LYS 159 Ca 0.10 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2h52 h LYS 159 Cb 0.25 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2h52 h LYS 159 CO 0.00 0.75 0.27 -0.44 -2.27 0.00 0.00 179.45 177.77 2h52 h ASP 160 N 0.95 0.83 -0.11 4.20 3.32 -1.60 -1.92 116.42 122.09 2h52 h ASP 160 Ca 0.24 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2h52 h ASP 160 Cb 0.08 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2h52 h ASP 160 CO -0.03 0.73 0.05 0.58 -1.72 0.00 0.00 179.24 178.85 2h52 h VAL 161 N 0.90 1.10 -1.00 -1.35 2.07 -0.70 -2.68 116.25 114.59 2h52 h VAL 161 Ca 0.22 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2h52 h VAL 161 Cb 0.14 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 2h52 h VAL 161 CO -0.02 0.09 0.66 0.25 0.02 0.00 0.00 177.57 178.57 2h52 h LEU 162 N 0.06 1.14 -1.70 2.57 5.85 -1.03 -0.60 115.31 121.59 2h52 h LEU 162 Ca 0.04 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2h52 h LEU 162 Cb 0.10 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2h52 h LEU 162 CO -0.01 0.82 0.06 -0.33 -0.34 0.00 0.00 178.44 178.65 2h52 h GLU 163 N 1.35 0.25 0.00 1.25 5.08 -1.08 0.31 114.58 121.74 2h52 h GLU 163 Ca 0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2h52 h GLU 163 Cb -0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2h52 h GLU 163 CO -0.08 0.22 -1.08 2.89 -1.00 0.00 0.00 179.01 179.95 2h52 n ARG 164 N -4.45 0.14 -0.02 2.33 -4.01 -0.95 -4.32 116.66 105.38 2h52 n ARG 164 Ca -0.00 -0.03 -0.19 0.00 -1.04 0.00 0.00 57.85 56.59 2h52 n ARG 164 Cb 0.12 -1.52 -0.14 0.00 -3.04 0.00 0.00 32.46 27.89 2h52 n ARG 164 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2h52 n LEU 165 N -1.68 2.33 -0.27 2.89 0.00 -0.27 -4.33 117.00 115.67 2h52 n LEU 165 Ca 0.03 0.19 0.05 0.00 0.00 0.00 0.00 56.01 56.28 2h52 n LEU 165 Cb 0.38 -0.85 0.18 0.00 0.00 0.00 0.00 43.42 43.14 2h52 n LEU 165 CO 0.42 0.78 1.06 0.25 0.00 0.00 0.00 177.39 179.90 2h52 h LEU 166 N 0.05 0.42 -0.98 -1.96 5.85 -0.58 -1.57 115.31 116.54 2h52 h LEU 166 Ca -0.42 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.45 2h52 h LEU 166 Cb 2.02 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 43.01 2h52 h LEU 166 CO 0.06 0.19 0.63 -0.65 -0.34 0.00 0.00 178.44 178.33 2h52 h PRO 167 N 0.55 1.10 -0.36 5.25 0.11 -1.76 0.38 132.00 137.27 2h52 h PRO 167 Ca 0.41 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.36 2h52 h PRO 167 Cb 0.56 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2h52 h PRO 167 CO -0.35 0.73 -0.13 -0.92 -0.21 0.00 0.00 178.00 177.13 2h52 h TYR 168 N 1.14 0.81 -0.09 0.65 3.20 -1.52 -0.08 116.97 121.08 2h52 h TYR 168 Ca 0.42 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 2h52 h TYR 168 Cb 0.17 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 2h52 h TYR 168 CO -0.01 0.89 0.05 2.35 -1.64 0.00 0.00 178.16 179.81 2h52 h TRP 169 N 0.50 0.12 -0.38 -3.82 2.91 -0.74 0.17 115.95 114.71 2h52 h TRP 169 Ca 0.09 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.09 2h52 h TRP 169 Cb 0.65 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.25 2h52 h TRP 169 CO 0.05 0.11 0.18 -0.91 -1.03 0.00 0.00 178.44 176.85 2h52 h ASN 170 N 0.08 0.50 0.06 2.65 -0.26 -0.89 0.62 115.58 118.35 2h52 h ASN 170 Ca 0.03 -0.13 -0.13 0.00 -0.56 0.00 0.00 56.30 55.51 2h52 h ASN 170 Cb 0.03 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.18 2h52 h ASN 170 CO -0.01 0.50 -0.54 -0.33 -1.06 0.00 0.00 177.43 175.99 2h52 h GLU 171 N 0.48 0.26 0.00 0.81 5.08 -0.92 -3.39 114.58 116.89 2h52 h GLU 171 Ca 0.13 -0.36 -0.37 0.00 -1.00 0.00 0.00 59.36 57.76 2h52 h GLU 171 Cb 0.13 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 2h52 h GLU 171 CO -0.02 1.12 -2.27 0.54 -1.00 0.00 0.00 179.01 177.39 2h52 n ARG 172 N -4.29 0.49 -0.03 2.33 5.12 0.56 -4.69 116.66 116.17 2h52 n ARG 172 Ca -0.12 0.20 -0.08 0.00 -1.93 0.00 0.00 57.85 55.92 2h52 n ARG 172 Cb 0.68 -1.33 -0.07 0.00 -1.16 0.00 0.00 32.46 30.59 2h52 n ARG 172 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2h52 h ILE 173 N -0.69 0.85 -0.71 0.55 2.04 -1.34 -3.34 117.51 114.87 2h52 h ILE 173 Ca -0.56 -1.50 0.16 0.00 1.00 0.00 0.00 64.86 63.95 2h52 h ILE 173 Cb 1.54 1.57 -0.12 0.00 -0.74 0.00 0.00 36.82 39.07 2h52 h ILE 173 CO -0.31 0.27 0.06 0.00 0.00 0.00 0.00 178.15 178.17 2h52 h ALA 174 N -0.47 0.79 -0.99 1.87 0.00 0.02 -1.25 119.26 119.22 2h52 h ALA 174 Ca -0.01 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2h52 h ALA 174 Cb 0.50 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2h52 h ALA 174 CO 0.01 -0.39 0.65 -1.35 0.00 0.00 0.00 179.25 178.17 2h52 h PRO 175 N 0.16 1.17 -0.52 0.00 0.11 -1.76 -1.32 132.00 129.85 2h52 h PRO 175 Ca 0.39 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 2h52 h PRO 175 Cb 0.67 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2h52 h PRO 175 CO -0.58 0.78 -0.06 0.93 -0.21 0.00 0.00 178.00 178.85 2h52 h GLU 176 N 1.21 0.92 -0.54 1.05 4.39 -1.37 -2.01 114.58 118.23 2h52 h GLU 176 Ca 0.41 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 2h52 h GLU 176 Cb 0.09 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2h52 h GLU 176 CO -0.15 0.95 0.18 0.28 -1.16 0.00 0.00 179.01 179.12 2h52 h VAL 177 N 0.84 1.23 0.00 3.13 2.07 -0.78 -2.32 116.25 120.41 2h52 h VAL 177 Ca 0.14 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 2h52 h VAL 177 Cb 0.58 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2h52 h VAL 177 CO 0.04 0.28 -0.17 -0.07 0.02 0.00 0.00 177.57 177.66 2h52 h LEU 178 N 0.74 0.00 0.00 2.57 3.38 -1.02 -1.20 115.31 119.77 2h52 h LEU 178 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2h52 h LEU 178 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2h52 h LEU 178 CO -0.01 0.17 0.00 0.54 0.09 0.00 0.00 178.44 179.24 2h52 n ARG 179 N -4.09 0.55 -0.32 1.13 1.74 -0.78 -4.87 116.66 110.03 2h52 n ARG 179 Ca -0.02 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2h52 n ARG 179 Cb 0.25 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.61 0.70 3.77 -0.13 0.00 -0.45 -5.06 105.19 104.62 2h52 n GLY 180 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.65 3.67 -0.37 1.61 1.02 -1.04 -4.99 119.74 118.99 2h52 s LYS 181 Ca 0.00 1.79 -0.20 0.00 0.02 0.00 0.00 55.97 57.58 2h52 s LYS 181 Cb 0.00 -2.35 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2h52 s LYS 181 CO 0.00 -0.63 0.60 0.99 -0.92 0.00 0.00 175.35 175.39 2h52 s THR 182 N -1.55 4.91 -0.01 2.17 2.01 -1.26 -4.57 115.64 117.33 2h52 s THR 182 Ca 0.65 0.40 -0.00 0.00 0.31 0.00 0.00 61.69 63.04 2h52 s THR 182 Cb -0.29 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2h52 s THR 182 CO 0.35 -0.35 0.06 -0.63 -0.69 0.00 0.00 174.62 173.36 2h52 s ILE 183 N 2.64 4.62 -0.13 1.82 -1.09 -1.26 -0.59 121.20 127.21 2h52 s ILE 183 Ca 0.22 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 2h52 s ILE 183 Cb -0.15 -3.09 0.01 0.00 -1.58 0.00 0.00 42.46 37.65 2h52 s ILE 183 CO 0.15 0.38 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.83 2h52 s LEU 184 N -1.62 1.97 -0.28 2.97 2.96 -1.00 -1.91 118.68 121.78 2h52 s LEU 184 Ca 0.21 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2h52 s LEU 184 Cb -0.12 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.28 2h52 s LEU 184 CO 0.12 0.06 0.01 -0.63 -1.32 0.00 0.00 176.35 174.58 2h52 s ILE 185 N 0.88 3.27 -0.54 6.68 1.01 0.90 -0.81 121.20 132.58 2h52 s ILE 185 Ca -0.07 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.39 2h52 s ILE 185 Cb -0.15 -2.74 0.13 0.00 0.01 0.00 0.00 42.46 39.71 2h52 s ILE 185 CO -0.02 0.05 0.50 -0.55 0.00 0.00 0.00 174.94 174.92 2h52 s SER 186 N 1.36 6.17 0.00 3.58 0.15 0.11 -1.61 113.70 123.46 2h52 s SER 186 Ca -0.01 -1.82 0.00 0.00 0.70 0.00 0.00 55.95 54.83 2h52 s SER 186 Cb -0.18 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2h52 s SER 186 CO -0.01 -0.84 0.00 0.00 1.20 0.00 0.00 173.24 173.58 2h52 n ALA 187 N 5.20 0.00 -2.56 5.45 0.00 -0.11 -3.65 120.51 124.85 2h52 n ALA 187 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 2h52 n ALA 187 Cb 0.40 0.00 -0.08 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 2.89 1.78 0.12 0.00 3.76 -1.26 -3.11 115.29 119.47 2h52 s HIS 188 Ca 0.00 -1.28 -0.24 0.00 -0.15 0.00 0.00 55.06 53.38 2h52 s HIS 188 Cb 0.00 -1.21 -0.05 0.00 1.11 0.00 0.00 32.58 32.42 2h52 s HIS 188 CO 0.00 -0.26 1.66 0.78 -0.85 0.00 0.00 174.74 176.06 2h52 h GLY 189 N 1.66 -0.25 1.06 -2.22 0.00 -1.94 -1.91 103.07 99.48 2h52 h GLY 189 Ca -0.36 0.23 -0.29 0.00 0.00 0.00 0.00 47.33 46.91 2h52 h GLY 189 CO 0.57 -0.18 -1.65 3.43 0.00 0.00 0.00 176.54 178.71 2h52 h ASN 190 N -0.30 0.03 0.55 0.19 2.35 -1.97 -2.93 115.58 113.51 2h52 h ASN 190 Ca 0.06 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2h52 h ASN 190 Cb 0.38 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2h52 h ASN 190 CO -0.19 1.05 -0.38 0.77 -1.65 0.00 0.00 177.43 177.04 2h52 h SER 191 N 0.01 0.00 -0.13 5.81 4.64 -1.82 -0.38 113.55 121.67 2h52 h SER 191 Ca -0.27 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.85 2h52 h SER 191 Cb 1.99 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.09 2h52 h SER 191 CO 0.09 0.38 -0.70 0.28 -0.87 0.00 0.00 176.83 176.00 2h52 h SER 192 N 0.00 0.84 -0.71 4.97 0.02 -1.44 -2.44 113.55 114.80 2h52 h SER 192 Ca -0.00 -0.64 -0.01 0.00 -0.84 0.00 0.00 61.79 60.29 2h52 h SER 192 Cb 0.75 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2h52 h SER 192 CO 0.05 1.35 0.40 0.03 -1.14 0.00 0.00 176.83 177.52 2h52 h ARG 193 N 0.40 0.99 -0.32 3.45 3.08 -1.25 -0.67 114.38 120.06 2h52 h ARG 193 Ca -0.05 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2h52 h ARG 193 Cb 1.34 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 2h52 h ARG 193 CO 0.15 0.72 0.18 0.00 -1.07 0.00 0.00 179.97 179.95 2h52 h ALA 194 N 1.44 0.41 -0.48 0.04 0.00 -0.97 -0.60 119.26 119.10 2h52 h ALA 194 Ca 0.26 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2h52 h ALA 194 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2h52 h ALA 194 CO -0.04 -0.08 -0.18 1.25 0.00 0.00 0.00 179.25 180.20 2h52 h LEU 195 N 0.40 0.96 -0.67 0.00 5.85 -0.97 -2.74 115.31 118.15 2h52 h LEU 195 Ca 0.11 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2h52 h LEU 195 Cb 0.04 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2h52 h LEU 195 CO -0.02 1.12 0.38 -0.07 -0.34 0.00 0.00 178.44 179.51 2h52 h LEU 196 N 0.83 0.83 -0.58 2.25 3.38 -0.91 0.31 115.31 121.42 2h52 h LEU 196 Ca 0.12 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2h52 h LEU 196 Cb 0.74 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2h52 h LEU 196 CO 0.06 0.68 0.25 0.50 0.09 0.00 0.00 178.44 180.01 2h52 h LYS 197 N 0.92 0.45 0.65 1.13 3.64 -0.94 0.27 116.57 122.69 2h52 h LYS 197 Ca 0.24 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2h52 h LYS 197 Cb 0.02 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2h52 h LYS 197 CO -0.04 0.30 -0.31 1.25 -2.27 0.00 0.00 179.45 178.37 2h52 h HIS 198 N 0.46 -0.81 -0.56 1.91 2.76 -1.13 0.34 115.15 118.12 2h52 h HIS 198 Ca 0.28 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 2h52 h HIS 198 Cb 0.28 0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 2h52 h HIS 198 CO -0.14 -0.47 0.31 -0.07 -1.30 0.00 0.00 177.93 176.26 2h52 h LEU 199 N -1.10 0.68 -1.11 0.26 3.38 -0.76 -2.62 115.31 114.04 2h52 h LEU 199 Ca -0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2h52 h LEU 199 Cb 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2h52 h LEU 199 CO 0.15 0.55 -0.16 -0.62 0.09 0.00 0.00 178.44 178.45 2h52 n GLU 200 N -4.40 1.54 -3.60 1.13 1.02 0.93 -1.41 120.64 115.86 2h52 n GLU 200 Ca 0.05 -1.11 -0.23 0.00 -0.02 0.00 0.00 57.16 55.85 2h52 n GLU 200 Cb 0.10 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.31 -0.50 3.74 0.62 0.00 -0.07 -4.92 105.19 105.37 2h52 n GLY 201 Ca 0.14 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.34 3.99 0.78 -0.61 1.01 -0.15 -5.02 121.20 117.87 2h52 s ILE 202 Ca 0.46 1.74 -0.11 0.00 0.00 0.00 0.00 60.65 62.74 2h52 s ILE 202 Cb -0.20 -4.11 0.07 0.00 0.01 0.00 0.00 42.46 38.22 2h52 s ILE 202 CO 0.74 0.31 1.11 -0.94 0.00 0.00 0.00 174.94 176.16 2h52 s SER 203 N -0.22 4.25 0.47 3.58 1.04 -1.26 -4.79 113.70 116.76 2h52 s SER 203 Ca 0.48 1.94 0.17 0.00 0.48 0.00 0.00 55.95 59.03 2h52 s SER 203 Cb -0.28 -2.54 1.16 0.00 0.10 0.00 0.00 66.02 64.46 2h52 s SER 203 CO 0.34 -2.21 2.00 0.44 0.98 0.00 0.00 173.24 174.79 2h52 h ASP 204 N -1.09 0.23 0.25 7.02 5.19 -1.99 -1.51 116.42 124.50 2h52 h ASP 204 Ca -0.44 0.01 -0.34 0.00 -0.62 0.00 0.00 57.03 55.63 2h52 h ASP 204 Cb 1.24 -0.04 0.03 0.00 0.18 0.00 0.00 39.33 40.74 2h52 h ASP 204 CO 0.50 0.14 -1.59 -0.33 -3.12 0.00 0.00 179.24 174.83 2h52 h GLU 205 N 0.25 0.48 0.00 3.56 3.07 -2.01 -3.36 114.58 116.57 2h52 h GLU 205 Ca 0.25 -0.82 -0.11 0.00 -0.50 0.00 0.00 59.36 58.18 2h52 h GLU 205 Cb 0.64 0.30 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 2h52 h GLU 205 CO -0.05 1.39 -0.51 -0.44 -1.40 0.00 0.00 179.01 178.00 2h52 h ASP 206 N 0.13 0.00 0.09 1.42 3.32 -1.78 -3.13 116.42 116.47 2h52 h ASP 206 Ca -0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2h52 h ASP 206 Cb 2.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.69 2h52 h ASP 206 CO 0.24 0.51 -0.04 -0.29 -1.72 0.00 0.00 179.24 177.94 2h52 h ILE 207 N 0.00 0.62 -0.35 0.35 6.09 -1.44 -2.13 117.51 120.66 2h52 h ILE 207 Ca -0.01 -0.15 0.04 0.00 -1.37 0.00 0.00 64.86 63.37 2h52 h ILE 207 Cb 0.95 1.09 -0.02 0.00 0.47 0.00 0.00 36.82 39.32 2h52 h ILE 207 CO 0.07 0.04 0.23 0.40 -3.07 0.00 0.00 178.15 175.82 2h52 h ILE 208 N 0.00 1.00 -0.05 2.19 2.04 -1.70 -1.83 117.51 119.16 2h52 h ILE 208 Ca -0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2h52 h ILE 208 Cb 0.09 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2h52 h ILE 208 CO 0.00 0.06 0.00 0.59 0.00 0.00 0.00 178.15 178.80 2h52 n ASN 209 N -4.49 0.90 -4.54 1.72 3.02 -0.80 -4.79 115.26 106.28 2h52 n ASN 209 Ca 0.03 -1.43 -0.41 0.00 -0.03 0.00 0.00 54.58 52.74 2h52 n ASN 209 Cb 0.18 -0.03 -0.09 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.94 5.14 -0.08 2.41 -1.09 -0.69 -5.04 121.20 119.90 2h52 s ILE 210 Ca 0.37 0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.89 2h52 s ILE 210 Cb 0.19 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2h52 s ILE 210 CO 0.30 -0.13 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.79 2h52 s THR 211 N 2.09 1.70 -0.13 2.92 2.01 -1.26 -5.03 115.64 117.94 2h52 s THR 211 Ca 0.13 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 2h52 s THR 211 Cb -0.16 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2h52 s THR 211 CO 0.12 0.48 0.09 -0.76 -0.69 0.00 0.00 174.62 173.87 2h52 s LEU 212 N 0.44 4.09 0.52 4.42 1.43 -1.26 -4.92 118.68 123.40 2h52 s LEU 212 Ca -0.17 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 2h52 s LEU 212 Cb -0.17 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 2h52 s LEU 212 CO 0.07 0.34 1.01 -2.16 0.23 0.00 0.00 176.35 175.84 2h52 s PRO 213 N -0.64 3.75 0.39 1.29 0.04 -1.26 -4.91 135.00 133.66 2h52 s PRO 213 Ca 0.12 1.13 -0.23 0.00 0.04 0.00 0.00 61.00 62.06 2h52 s PRO 213 Cb -0.12 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2h52 s PRO 213 CO 0.02 -0.44 0.96 0.95 0.04 0.00 0.00 177.00 178.53 2h52 s THR 214 N -2.40 4.23 -1.47 1.26 -4.23 -1.26 -4.16 115.64 107.61 2h52 s THR 214 Ca 0.62 1.59 -0.09 0.00 -1.18 0.00 0.00 61.69 62.63 2h52 s THR 214 Cb -0.13 -3.76 0.06 0.00 1.34 0.00 0.00 72.50 70.01 2h52 s THR 214 CO 0.29 -0.10 0.87 0.61 -0.54 0.00 0.00 174.62 175.74 2h52 n GLY 215 N -0.05 -0.42 2.91 3.99 0.00 -0.48 -4.88 105.19 106.26 2h52 n GLY 215 Ca 0.05 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.44 0.95 0.21 1.61 1.01 -1.26 -4.64 120.40 114.84 2h52 s VAL 216 Ca 0.45 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2h52 s VAL 216 Cb -0.23 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.10 2h52 s VAL 216 CO 0.83 0.35 1.41 -2.16 0.00 0.00 0.00 175.10 175.53 2h52 s PRO 217 N 1.52 4.30 -0.25 2.72 0.04 -1.26 -4.57 135.00 137.49 2h52 s PRO 217 Ca 0.01 2.22 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 2h52 s PRO 217 Cb -0.13 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 2h52 s PRO 217 CO -0.05 -0.40 0.01 0.42 0.04 0.00 0.00 177.00 177.02 2h52 s ILE 218 N 0.26 3.65 -0.17 0.56 1.01 0.38 -0.80 121.20 126.10 2h52 s ILE 218 Ca 0.60 -0.58 -0.17 0.00 0.00 0.00 0.00 60.65 60.50 2h52 s ILE 218 Cb -0.40 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 2h52 s ILE 218 CO 0.39 0.26 0.45 -0.22 0.00 0.00 0.00 174.94 175.83 2h52 s LEU 219 N 1.49 4.19 -0.13 2.97 2.96 0.82 -1.57 118.68 129.41 2h52 s LEU 219 Ca 0.04 0.66 0.02 0.00 -0.22 0.00 0.00 54.13 54.63 2h52 s LEU 219 Cb -0.16 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.92 2h52 s LEU 219 CO -0.00 -0.08 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.54 2h52 s LEU 220 N 1.16 1.96 -0.24 -0.68 2.96 -0.08 -1.19 118.68 122.57 2h52 s LEU 220 Ca 0.23 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 2h52 s LEU 220 Cb -0.15 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 2h52 s LEU 220 CO 0.09 0.05 0.08 -1.61 -1.32 0.00 0.00 176.35 173.64 2h52 s GLU 221 N 0.94 3.73 0.24 1.98 2.02 -1.26 -1.02 118.70 125.34 2h52 s GLU 221 Ca -0.05 -0.44 0.09 0.00 0.02 0.00 0.00 54.97 54.58 2h52 s GLU 221 Cb -0.15 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 2h52 s GLU 221 CO -0.03 -0.12 0.01 -0.51 0.02 0.00 0.00 175.26 174.63 2h52 s LEU 222 N 1.46 3.28 0.00 1.80 1.43 0.12 -0.41 118.68 126.36 2h52 s LEU 222 Ca 0.06 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2h52 s LEU 222 Cb -0.15 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.28 2h52 s LEU 222 CO 0.04 0.02 0.43 -0.90 0.23 0.00 0.00 176.35 176.18 2h52 n ASP 223 N -0.69 1.06 0.25 2.29 5.68 -0.29 -1.57 116.55 123.28 2h52 n ASP 223 Ca -0.08 -1.78 0.18 0.00 -0.50 0.00 0.00 54.79 52.61 2h52 n ASP 223 Cb 0.58 -0.23 0.85 0.00 -1.14 0.00 0.00 41.12 41.17 2h52 n ASP 223 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2h52 h GLU 224 N 0.00 0.00 -0.69 0.11 4.11 -1.97 0.41 114.58 116.54 2h52 h GLU 224 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2h52 h GLU 224 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2h52 h GLU 224 CO 0.20 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.37 2h52 n ASN 225 N -3.29 3.90 -2.20 3.06 3.02 -1.26 -4.94 115.26 113.55 2h52 n ASN 225 Ca 0.01 -2.00 -0.19 0.00 -0.03 0.00 0.00 54.58 52.37 2h52 n ASN 225 Cb 0.39 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 1.63 -1.97 -4.82 3.41 4.77 0.14 -5.00 117.00 115.16 2h52 n LEU 226 Ca 0.24 -0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.81 2h52 n LEU 226 Cb 0.62 -2.65 -0.07 0.00 -2.33 0.00 0.00 43.42 38.99 2h52 n LEU 226 CO 0.17 -0.12 -0.21 -0.13 -1.33 0.00 0.00 177.39 175.76 2h52 s ARG 227 N -5.03 3.24 0.32 3.23 0.52 -1.26 -4.79 118.95 115.18 2h52 s ARG 227 Ca 0.05 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.63 2h52 s ARG 227 Cb -0.02 -2.99 -0.11 0.00 0.52 0.00 0.00 34.95 32.35 2h52 s ARG 227 CO 0.06 0.70 1.46 0.00 0.02 0.00 0.00 175.30 177.54 2h52 s ALA 228 N -1.14 3.61 -0.35 2.13 0.00 -0.50 -1.14 121.76 124.37 2h52 s ALA 228 Ca 0.21 1.45 0.09 0.00 0.00 0.00 0.00 51.96 53.71 2h52 s ALA 228 Cb -0.12 -3.58 0.71 0.00 0.00 0.00 0.00 23.12 20.13 2h52 s ALA 228 CO 0.11 -0.88 1.74 0.28 0.00 0.00 0.00 175.76 177.00 2h52 n VAL 229 N 1.32 2.76 0.00 0.00 0.31 0.45 -4.86 118.33 118.30 2h52 n VAL 229 Ca 0.04 -1.49 0.00 0.00 -0.01 0.00 0.00 64.34 62.88 2h52 n VAL 229 Cb 0.40 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 2h52 n VAL 229 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2h52 n GLY 230 N -0.06 2.63 3.72 2.92 0.00 -1.26 -5.04 105.19 108.10 2h52 n GLY 230 Ca 0.38 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 2h52 n GLY 230 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2h52 s PRO 231 N -2.02 2.00 0.74 1.61 0.04 -1.26 -4.81 135.00 131.30 2h52 s PRO 231 Ca 0.00 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 2h52 s PRO 231 Cb 0.00 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.73 2h52 s PRO 231 CO 0.00 -1.94 0.91 -2.39 0.04 0.00 0.00 177.00 173.62 2h52 n HIS 232 N -2.92 0.44 -4.04 0.56 1.44 -1.26 -4.91 115.22 104.52 2h52 n HIS 232 Ca 0.13 0.38 -0.31 0.00 -2.01 0.00 0.00 57.72 55.91 2h52 n HIS 232 Cb 0.50 -2.05 -0.16 0.00 0.12 0.00 0.00 29.99 28.41 2h52 n HIS 232 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2h52 s GLN 233 N -3.36 2.37 -0.08 -1.40 0.74 -0.33 -4.97 119.66 112.63 2h52 s GLN 233 Ca 0.71 -0.86 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 2h52 s GLN 233 Cb -0.33 -2.47 -0.02 0.00 1.10 0.00 0.00 33.01 31.29 2h52 s GLN 233 CO 0.52 -0.35 1.13 -0.06 -0.55 0.00 0.00 175.29 175.98 2h52 s PHE 234 N 1.34 3.30 -0.45 1.67 0.40 -1.26 -0.12 117.98 122.86 2h52 s PHE 234 Ca 0.00 1.35 -0.24 0.00 -0.60 0.00 0.00 56.93 57.45 2h52 s PHE 234 Cb -0.15 -3.34 0.02 0.00 0.51 0.00 0.00 43.02 40.06 2h52 s PHE 234 CO -0.09 -0.93 0.81 -0.51 0.70 0.00 0.00 175.22 175.20 2h52 s LEU 235 N 2.18 4.20 0.00 -0.37 1.43 0.02 -4.90 118.68 121.25 2h52 s LEU 235 Ca 0.53 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 2h52 s LEU 235 Cb -0.22 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2h52 s LEU 235 CO 0.20 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.46 2h52 n GLY 236 N 4.94 0.17 3.64 -3.19 0.00 -1.26 -4.46 105.19 105.03 2h52 n GLY 236 Ca 0.03 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.85 6.46 0.48 1.61 2.15 -1.26 -4.90 116.67 117.36 2h52 s ASP 237 Ca 0.00 1.73 0.16 0.00 0.43 0.00 0.00 52.55 54.87 2h52 s ASP 237 Cb 0.00 -2.53 1.15 0.00 -0.30 0.00 0.00 42.92 41.23 2h52 s ASP 237 CO 0.00 -1.18 2.05 1.56 -0.17 0.00 0.00 175.17 177.43 2h52 h GLN 238 N 10.39 0.22 -0.30 4.34 1.08 -1.97 -1.12 115.11 127.76 2h52 h GLN 238 Ca -0.34 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 56.73 2h52 h GLN 238 Cb 1.15 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 2h52 h GLN 238 CO 0.99 0.15 -0.27 0.93 -0.95 0.00 0.00 178.83 179.68 2h52 h GLU 239 N 0.23 0.72 -0.19 1.46 3.07 -1.99 0.71 114.58 118.58 2h52 h GLU 239 Ca 0.17 -0.37 -0.14 0.00 -0.50 0.00 0.00 59.36 58.52 2h52 h GLU 239 Cb 0.38 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2h52 h GLU 239 CO -0.03 0.98 -0.47 0.00 -1.40 0.00 0.00 179.01 178.10 2h52 h ALA 240 N 0.72 0.84 -0.38 3.43 0.00 -1.85 -2.29 119.26 119.73 2h52 h ALA 240 Ca 0.05 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2h52 h ALA 240 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2h52 h ALA 240 CO 0.07 0.66 -0.17 0.82 0.00 0.00 0.00 179.25 180.63 2h52 h ILE 241 N 0.39 1.28 -0.25 0.00 2.04 -1.10 -1.48 117.51 118.39 2h52 h ILE 241 Ca 0.02 -1.30 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 2h52 h ILE 241 Cb 0.97 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2h52 h ILE 241 CO 0.09 0.43 -0.11 1.56 0.00 0.00 0.00 178.15 180.11 2h52 h GLN 242 N 0.58 0.41 -0.04 2.37 1.08 -0.76 -0.59 115.11 118.16 2h52 h GLN 242 Ca 0.09 -0.11 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 2h52 h GLN 242 Cb 0.72 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 2h52 h GLN 242 CO 0.05 0.53 -0.61 0.00 -0.95 0.00 0.00 178.83 177.85 2h52 h ALA 243 N 1.50 0.90 -0.20 3.87 0.00 -1.23 -1.45 119.26 122.66 2h52 h ALA 243 Ca 0.07 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2h52 h ALA 243 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2h52 h ALA 243 CO 0.02 0.75 -0.42 0.00 0.00 0.00 0.00 179.25 179.61 2h52 h ALA 244 N 1.27 0.92 -0.27 0.00 0.00 -0.40 -1.01 119.26 119.77 2h52 h ALA 244 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2h52 h ALA 244 Cb 1.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2h52 h ALA 244 CO 0.09 0.63 -0.17 0.82 0.00 0.00 0.00 179.25 180.63 2h52 h ILE 245 N 0.38 1.30 -0.65 0.00 2.04 -0.85 -2.89 117.51 116.85 2h52 h ILE 245 Ca 0.03 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 2h52 h ILE 245 Cb 0.89 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2h52 h ILE 245 CO 0.08 0.40 0.39 0.50 0.00 0.00 0.00 178.15 179.51 2h52 h LYS 246 N 0.32 0.87 -0.33 2.37 3.64 -1.05 -1.94 116.57 120.45 2h52 h LYS 246 Ca 0.06 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2h52 h LYS 246 Cb 0.69 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2h52 h LYS 246 CO 0.05 0.61 0.13 -0.22 -2.27 0.00 0.00 179.45 177.75 2h52 h LYS 247 N 0.89 0.28 -0.78 1.90 3.64 -1.01 0.30 116.57 121.79 2h52 h LYS 247 Ca 0.23 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2h52 h LYS 247 Cb -0.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2h52 h LYS 247 CO -0.04 0.18 0.32 0.28 -2.27 0.00 0.00 179.45 177.92 2h52 h VAL 248 N 0.28 1.26 -0.04 2.00 2.07 -1.21 -2.80 116.25 117.81 2h52 h VAL 248 Ca 0.15 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2h52 h VAL 248 Cb 0.10 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2h52 h VAL 248 CO -0.14 0.33 0.01 -0.33 0.02 0.00 0.00 177.57 177.46 2h52 h GLU 249 N 1.13 0.07 0.00 1.57 5.08 -0.76 -2.90 114.58 118.77 2h52 h GLU 249 Ca 0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2h52 h GLU 249 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2h52 h GLU 249 CO -0.02 0.30 0.09 -0.44 -1.00 0.00 0.00 179.01 177.94 2h52 h ASP 250 N -0.18 0.00 0.47 1.42 3.32 -0.23 -0.75 116.42 120.48 2h52 h ASP 250 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2h52 h ASP 250 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2h52 h ASP 250 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 2h52 h GLN 251 N 0.00 0.00 -0.70 3.56 4.20 -1.28 -1.60 115.11 119.29 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 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2h52 h GLN 251 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2h52 n GLY 252 N -0.57 2.54 3.64 3.46 0.00 -0.29 -3.39 105.19 110.59 2h52 n GLY 252 Ca -0.01 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.01 2.67 0.00 1.61 1.02 -0.60 -4.66 119.74 118.76 2h52 s LYS 253 Ca 0.46 -0.67 0.21 0.00 0.02 0.00 0.00 55.97 55.99 2h52 s LYS 253 Cb 0.24 -2.59 1.24 0.00 -0.52 0.00 0.00 37.83 36.21 2h52 s LYS 253 CO 0.31 0.61 1.63 0.28 -0.92 0.00 0.00 175.35 177.26