#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h03 s VAL 6 N 0.00 3.82 -0.36 12.58 1.01 -0.71 -4.86 120.40 131.88 3h03 s VAL 6 Ca 0.00 1.29 -0.21 0.00 0.00 0.00 0.00 61.98 63.06 3h03 s VAL 6 Cb 0.00 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.56 3h03 s VAL 6 CO 0.00 0.08 0.67 -0.69 0.00 0.00 0.00 175.10 175.16 3h03 s VAL 7 N 1.29 4.85 -0.22 2.92 1.01 -1.26 -1.41 120.40 127.58 3h03 s VAL 7 Ca 0.61 0.63 -0.10 0.00 0.00 0.00 0.00 61.98 63.12 3h03 s VAL 7 Cb -0.31 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 3h03 s VAL 7 CO 0.29 -0.36 0.13 -0.69 0.00 0.00 0.00 175.10 174.47 3h03 s VAL 8 N 2.81 5.26 -0.07 2.92 1.01 -0.36 -0.87 120.40 131.11 3h03 s VAL 8 Ca 0.26 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 3h03 s VAL 8 Cb -0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3h03 s VAL 8 CO 0.16 0.39 0.00 0.28 0.00 0.00 0.00 175.10 175.93 3h03 s THR 9 N 0.74 4.30 0.04 3.92 -1.32 0.33 -0.75 115.64 122.91 3h03 s THR 9 Ca 0.07 -0.32 -0.01 0.00 -1.21 0.00 0.00 61.69 60.23 3h03 s THR 9 Cb -0.13 -2.83 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 3h03 s THR 9 CO 0.02 0.55 0.07 1.07 -2.21 0.00 0.00 174.62 174.12 3h03 n THR 10 N 1.96 0.00 -3.96 5.08 5.66 -0.58 -2.35 114.28 120.09 3h03 n THR 10 Ca -0.18 -0.20 -0.09 0.00 -3.05 0.00 0.00 64.05 60.53 3h03 n THR 10 Cb 0.53 0.13 -0.11 0.00 -1.55 0.00 0.00 70.33 69.34 3h03 n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3h03 s ILE 11 N -2.55 0.11 -0.79 1.09 2.07 -1.26 -0.51 121.20 119.34 3h03 s ILE 11 Ca 0.03 -0.87 -0.26 0.00 -1.41 0.00 0.00 60.65 58.14 3h03 s ILE 11 Cb -0.00 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.29 3h03 s ILE 11 CO 0.02 -0.48 1.53 -0.76 -1.91 0.00 0.00 174.94 173.34 3h03 s LEU 12 N -1.46 3.27 -0.10 8.50 1.43 -1.26 -4.32 118.68 124.73 3h03 s LEU 12 Ca -0.16 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 3h03 s LEU 12 Cb -0.09 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.62 3h03 s LEU 12 CO -0.01 -1.99 0.19 -0.70 0.23 0.00 0.00 176.35 174.08 3h03 s GLU 13 N 6.01 0.07 0.30 1.70 2.56 -0.90 -4.99 118.70 123.44 3h03 s GLU 13 Ca 0.49 0.62 -0.28 0.00 0.00 0.00 0.00 54.97 55.80 3h03 s GLU 13 Cb -0.07 -0.20 -0.09 0.00 2.00 0.00 0.00 34.13 35.77 3h03 s GLU 13 CO 0.09 -0.30 1.03 -1.12 -0.56 0.00 0.00 175.26 174.40 3h03 s SER 14 N 2.31 7.29 -0.33 -1.70 0.01 -1.26 -0.48 113.70 119.55 3h03 s SER 14 Ca 0.02 2.08 0.08 0.00 1.31 0.00 0.00 55.95 59.45 3h03 s SER 14 Cb -0.12 -2.61 0.70 0.00 0.21 0.00 0.00 66.02 64.20 3h03 s SER 14 CO -0.07 -0.11 1.78 -0.81 0.41 0.00 0.00 173.24 174.44 3h03 n PRO 15 N 0.96 3.36 0.02 12.44 -0.04 -1.26 -4.94 135.00 145.54 3h03 n PRO 15 Ca 0.00 -2.89 -0.11 0.00 -0.04 0.00 0.00 63.50 60.46 3h03 n PRO 15 Cb 0.47 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.68 3h03 n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3h03 h TYR 16 N 2.27 -0.14 -3.24 0.54 0.05 -1.11 0.11 116.97 115.45 3h03 h TYR 16 Ca 0.32 -0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.80 3h03 h TYR 16 Cb 2.36 0.05 -0.35 0.00 1.01 0.00 0.00 36.73 39.79 3h03 h TYR 16 CO 1.28 0.36 -0.66 0.08 -1.05 0.00 0.00 178.16 178.18 3h03 s VAL 17 N -3.33 -0.14 0.04 -2.88 1.01 -0.49 -0.90 120.40 113.71 3h03 s VAL 17 Ca -0.13 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 3h03 s VAL 17 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 3h03 s VAL 17 CO 0.52 0.12 0.00 -0.04 0.00 0.00 0.00 175.10 175.70 3h03 s MET 18 N 1.77 0.51 0.16 2.72 -1.94 0.33 -2.12 119.30 120.72 3h03 s MET 18 Ca -0.02 -0.91 -0.30 0.00 -1.71 0.00 0.00 55.69 52.75 3h03 s MET 18 Cb -0.12 0.18 -0.07 0.00 2.01 0.00 0.00 34.83 36.83 3h03 s MET 18 CO -0.05 -0.10 1.02 -1.64 -0.01 0.00 0.00 175.02 174.24 3h03 s MET 19 N -2.81 4.67 0.59 2.03 -1.94 -1.26 -1.13 119.30 119.46 3h03 s MET 19 Ca -0.03 1.58 -0.18 0.00 -1.71 0.00 0.00 55.69 55.35 3h03 s MET 19 Cb -0.00 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.49 3h03 s MET 19 CO -0.06 0.19 1.16 0.15 -0.01 0.00 0.00 175.02 176.45 3h03 s LYS 20 N -0.35 3.05 0.34 2.03 1.02 -0.36 -4.85 119.74 120.61 3h03 s LYS 20 Ca 0.47 1.67 0.06 0.00 0.02 0.00 0.00 55.97 58.19 3h03 s LYS 20 Cb -0.27 -1.96 0.71 0.00 -0.52 0.00 0.00 37.83 35.80 3h03 s LYS 20 CO 0.33 -1.11 1.89 0.87 -0.92 0.00 0.00 175.35 176.40 3h03 h LYS 21 N 0.80 0.79 -0.83 1.68 1.57 -1.95 -0.77 116.57 117.85 3h03 h LYS 21 Ca -0.50 -0.05 -0.36 0.00 -1.87 0.00 0.00 60.65 57.88 3h03 h LYS 21 Cb 1.27 -0.18 -0.21 0.00 0.08 0.00 0.00 32.23 33.20 3h03 h LYS 21 CO 0.55 0.52 0.43 0.27 -0.57 0.00 0.00 179.45 180.65 3h03 n ASN 22 N -4.54 4.17 -0.17 0.86 6.94 -1.26 -4.68 115.26 116.57 3h03 n ASN 22 Ca 0.16 -3.44 0.18 0.00 -0.02 0.00 0.00 54.58 51.45 3h03 n ASN 22 Cb 0.36 -0.78 0.54 0.00 -2.36 0.00 0.00 39.78 37.54 3h03 n ASN 22 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3h03 h HIS 23 N 1.77 0.43 0.00 -2.53 2.07 -1.41 -1.58 115.15 113.89 3h03 h HIS 23 Ca 0.44 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3h03 h HIS 23 Cb 2.54 -0.13 -0.00 0.00 2.57 0.00 0.00 27.41 32.39 3h03 h HIS 23 CO 1.41 0.15 -0.01 1.05 -3.07 0.00 0.00 177.93 177.45 3h03 h GLU 24 N 0.35 0.00 -0.02 5.12 9.09 -1.84 -0.49 114.58 126.79 3h03 h GLU 24 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 3h03 h GLU 24 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 3h03 h GLU 24 CO -0.12 0.01 -0.13 -1.33 0.05 0.00 0.00 179.01 177.50 3h03 n MET 25 N -3.74 1.61 -3.57 1.06 2.81 -0.60 -4.95 117.12 109.75 3h03 n MET 25 Ca -0.03 -1.14 -0.21 0.00 -1.81 0.00 0.00 57.70 54.51 3h03 n MET 25 Cb 0.10 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.11 3h03 n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3h03 s LEU 26 N -2.18 3.34 0.06 4.03 1.43 -0.19 -5.15 118.68 120.02 3h03 s LEU 26 Ca 0.29 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3h03 s LEU 26 Cb 0.20 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3h03 s LEU 26 CO 0.40 -0.70 -0.05 -1.61 0.23 0.00 0.00 176.35 174.63 3h03 s GLU 27 N -4.15 0.64 4.65 1.70 2.02 -1.26 -4.85 118.70 117.44 3h03 s GLU 27 Ca 0.48 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.35 3h03 s GLU 27 Cb -0.03 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.19 3h03 s GLU 27 CO 0.28 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.92 3h03 n GLY 28 N 0.43 2.58 0.30 -1.39 0.00 -1.26 -2.77 105.19 103.08 3h03 n GLY 28 Ca -0.16 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.62 3h03 n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h03 h ASN 29 N 7.80 0.04 0.38 1.61 2.35 -1.93 -2.42 115.58 123.41 3h03 h ASN 29 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h03 h ASN 29 Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3h03 h ASN 29 CO 0.00 0.03 0.00 -0.62 -1.65 0.00 0.00 177.43 175.19 3h03 n GLU 30 N -4.49 0.13 0.24 0.81 4.71 -1.12 -2.39 120.64 118.53 3h03 n GLU 30 Ca 0.01 0.48 0.10 0.00 -0.01 0.00 0.00 57.16 57.74 3h03 n GLU 30 Cb 0.23 -1.81 0.58 0.00 -1.01 0.00 0.00 31.44 29.43 3h03 n GLU 30 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3h03 h ARG 31 N 0.00 0.00 -6.22 3.49 3.08 -1.54 -3.45 114.38 109.73 3h03 h ARG 31 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3h03 h ARG 31 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.16 3h03 h ARG 31 CO 0.00 0.20 -0.58 0.71 -1.07 0.00 0.00 179.97 179.23 3h03 s TYR 32 N -4.02 3.07 0.08 3.04 2.02 -1.01 -1.22 117.35 119.31 3h03 s TYR 32 Ca -0.02 -0.06 -0.13 0.00 -0.37 0.00 0.00 57.07 56.49 3h03 s TYR 32 Cb 0.12 -1.45 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 3h03 s TYR 32 CO 0.63 0.52 0.29 -1.83 -1.57 0.00 0.00 175.55 173.59 3h03 s GLU 33 N -3.23 0.89 0.00 -0.62 -1.05 -0.28 -4.83 118.70 109.57 3h03 s GLU 33 Ca 0.31 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 3h03 s GLU 33 Cb -0.09 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 3h03 s GLU 33 CO 0.23 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.54 3h03 n GLY 34 N 0.15 1.70 0.15 -3.83 0.00 -1.26 -0.51 105.19 101.59 3h03 n GLY 34 Ca -0.17 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 43.99 3h03 n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3h03 h TYR 35 N 0.00 -0.17 0.00 1.61 5.03 -0.37 -1.32 116.97 121.75 3h03 h TYR 35 Ca 0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 3h03 h TYR 35 Cb 0.00 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 3h03 h TYR 35 CO 0.00 -0.14 -0.18 0.00 -1.32 0.00 0.00 178.16 176.52 3h03 h VAL 37 N 0.00 1.33 -0.44 0.00 2.07 -1.41 0.44 116.25 118.24 3h03 h VAL 37 Ca -0.00 -1.73 -0.09 0.00 0.82 0.00 0.00 66.70 65.69 3h03 h VAL 37 Cb 0.75 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3h03 h VAL 37 CO 0.02 0.54 -0.10 0.44 0.02 0.00 0.00 177.57 178.49 3h03 h ASP 38 N 0.32 0.77 -0.31 0.57 5.19 -0.97 -2.58 116.42 119.41 3h03 h ASP 38 Ca -0.01 -0.23 -0.14 0.00 -0.62 0.00 0.00 57.03 56.03 3h03 h ASP 38 Cb 1.10 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 3h03 h ASP 38 CO 0.10 0.90 -0.33 0.25 -3.12 0.00 0.00 179.24 177.04 3h03 h LEU 39 N 0.71 0.88 -0.64 1.55 5.85 -0.99 -2.68 115.31 119.98 3h03 h LEU 39 Ca 0.12 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.49 3h03 h LEU 39 Cb 0.58 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3h03 h LEU 39 CO 0.04 1.13 0.41 0.00 -0.34 0.00 0.00 178.44 179.67 3h03 h ALA 40 N 0.92 0.83 -0.60 1.25 0.00 -0.69 0.34 119.26 121.32 3h03 h ALA 40 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3h03 h ALA 40 Cb 0.89 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3h03 h ALA 40 CO 0.08 0.19 0.38 0.00 0.00 0.00 0.00 179.25 179.90 3h03 h ALA 41 N 1.26 0.77 -0.21 0.00 0.00 -1.32 -0.39 119.26 119.38 3h03 h ALA 41 Ca 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3h03 h ALA 41 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3h03 h ALA 41 CO -0.08 0.14 0.06 0.93 0.00 0.00 0.00 179.25 180.29 3h03 h GLU 42 N 0.75 0.32 -0.66 0.00 4.39 -1.06 -1.62 114.58 116.71 3h03 h GLU 42 Ca 0.23 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 3h03 h GLU 42 Cb -0.02 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3h03 h GLU 42 CO -0.08 0.43 0.34 0.82 -1.16 0.00 0.00 179.01 179.36 3h03 h ILE 43 N 0.15 1.22 -0.59 3.13 1.08 -0.73 -2.10 117.51 119.68 3h03 h ILE 43 Ca 0.07 -0.58 -0.03 0.00 -0.39 0.00 0.00 64.86 63.92 3h03 h ILE 43 Cb 0.25 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 3h03 h ILE 43 CO -0.00 0.24 0.24 0.00 -0.69 0.00 0.00 178.15 177.95 3h03 h ALA 44 N 1.16 0.76 -0.46 1.87 0.00 -0.99 -1.12 119.26 120.47 3h03 h ALA 44 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h03 h ALA 44 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h03 h ALA 44 CO -0.03 0.37 0.25 -0.22 0.00 0.00 0.00 179.25 179.61 3h03 h LYS 45 N 0.81 0.65 0.00 0.00 1.63 -1.05 0.24 116.57 118.84 3h03 h LYS 45 Ca 0.20 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3h03 h LYS 45 Cb 0.19 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3h03 h LYS 45 CO -0.02 0.52 -0.05 0.72 -3.45 0.00 0.00 179.45 177.18 3h03 n HIS 46 N -4.67 0.18 0.43 1.91 8.25 -0.81 -3.22 115.22 117.28 3h03 n HIS 46 Ca 0.01 0.05 0.08 0.00 -0.26 0.00 0.00 57.72 57.60 3h03 n HIS 46 Cb 0.09 -0.56 -0.11 0.00 1.12 0.00 0.00 29.99 30.53 3h03 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h03 n GLY 48 N 1.46 0.35 3.05 0.00 0.00 0.77 -5.06 105.19 105.76 3h03 n GLY 48 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 3h03 n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h03 s PHE 49 N -3.09 0.46 0.34 1.61 -0.12 -0.83 -5.05 117.98 111.30 3h03 s PHE 49 Ca 0.06 -0.81 -0.05 0.00 -0.05 0.00 0.00 56.93 56.08 3h03 s PHE 49 Cb -0.03 -0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 41.99 3h03 s PHE 49 CO 0.20 -0.27 0.61 0.15 -0.05 0.00 0.00 175.22 175.86 3h03 s LYS 50 N -2.81 3.61 0.17 1.99 1.02 -1.26 -4.65 119.74 117.81 3h03 s LYS 50 Ca -0.03 0.02 -0.16 0.00 0.02 0.00 0.00 55.97 55.82 3h03 s LYS 50 Cb -0.00 -2.58 0.03 0.00 -0.52 0.00 0.00 37.83 34.75 3h03 s LYS 50 CO -0.05 0.11 0.46 1.52 -0.92 0.00 0.00 175.35 176.47 3h03 s TYR 51 N -2.25 -0.08 -0.10 3.18 1.13 -1.26 -1.73 117.35 116.23 3h03 s TYR 51 Ca 0.44 -0.25 0.01 0.00 -1.41 0.00 0.00 57.07 55.86 3h03 s TYR 51 Cb -0.10 0.30 0.02 0.00 -1.10 0.00 0.00 41.96 41.08 3h03 s TYR 51 CO 0.33 -0.83 -0.10 0.21 -2.51 0.00 0.00 175.55 172.65 3h03 s LYS 52 N -3.86 1.69 0.04 -3.49 2.20 -0.50 -4.91 119.74 110.91 3h03 s LYS 52 Ca 0.08 -0.36 -0.26 0.00 -0.36 0.00 0.00 55.97 55.08 3h03 s LYS 52 Cb 0.00 -1.58 -0.05 0.00 -1.51 0.00 0.00 37.83 34.70 3h03 s LYS 52 CO -0.05 -0.14 0.81 -0.51 -0.36 0.00 0.00 175.35 175.10 3h03 s LEU 53 N 1.25 4.44 0.02 5.43 1.43 -1.26 -1.22 118.68 128.77 3h03 s LEU 53 Ca -0.03 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.60 3h03 s LEU 53 Cb -0.14 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 3h03 s LEU 53 CO -0.04 -0.04 -0.08 0.42 0.23 0.00 0.00 176.35 176.85 3h03 s THR 54 N 0.14 0.57 -0.17 5.49 -4.23 0.07 -4.85 115.64 112.66 3h03 s THR 54 Ca 0.41 -0.69 -0.21 0.00 -1.18 0.00 0.00 61.69 60.02 3h03 s THR 54 Cb -0.21 -0.56 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 3h03 s THR 54 CO 0.24 -0.10 0.64 -0.63 -0.54 0.00 0.00 174.62 174.23 3h03 s ILE 55 N -0.74 5.04 0.01 2.99 -1.09 -1.26 -1.52 121.20 124.62 3h03 s ILE 55 Ca -0.03 1.23 -0.39 0.00 -2.23 0.00 0.00 60.65 59.23 3h03 s ILE 55 Cb -0.06 -3.96 -0.19 0.00 -1.58 0.00 0.00 42.46 36.68 3h03 s ILE 55 CO 0.00 0.15 1.21 0.55 -1.23 0.00 0.00 174.94 175.62 3h03 n VAL 56 N 4.44 0.01 -0.28 2.92 3.14 0.33 -4.84 118.33 124.04 3h03 n VAL 56 Ca -0.02 -0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.46 3h03 n VAL 56 Cb 0.50 -0.36 0.25 0.00 -1.06 0.00 0.00 33.84 33.16 3h03 n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3h03 h GLY 57 N 3.77 1.29 -2.51 7.55 0.00 -1.92 -2.30 103.07 108.96 3h03 h GLY 57 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3h03 h GLY 57 CO 0.72 -0.24 0.00 2.09 0.00 0.00 0.00 176.54 179.11 3h03 n ASP 58 N -5.11 3.74 -2.34 0.19 5.68 -1.26 -4.97 116.55 112.48 3h03 n ASP 58 Ca 0.18 -1.99 -0.21 0.00 -0.50 0.00 0.00 54.79 52.27 3h03 n ASP 58 Cb 0.57 -0.39 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 3h03 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h03 n GLY 59 N 1.56 -0.40 3.42 6.12 0.00 -0.87 -4.94 105.19 110.08 3h03 n GLY 59 Ca 0.22 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3h03 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h03 s LYS 60 N -4.99 1.54 -0.14 1.61 1.02 -1.26 -5.02 119.74 112.50 3h03 s LYS 60 Ca 0.00 -1.70 -0.25 0.00 0.02 0.00 0.00 55.97 54.04 3h03 s LYS 60 Cb 0.00 -1.47 -0.22 0.00 -0.52 0.00 0.00 37.83 35.62 3h03 s LYS 60 CO 0.00 0.25 0.64 1.88 -0.92 0.00 0.00 175.35 177.20 3h03 h TYR 61 N 2.38 0.00 0.00 3.18 -1.99 -1.92 -1.95 116.97 116.66 3h03 h TYR 61 Ca -0.39 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.34 3h03 h TYR 61 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.97 3h03 h TYR 61 CO 0.76 0.87 0.00 0.41 -0.00 0.00 0.00 178.16 180.20 3h03 n GLY 62 N 1.63 2.37 3.12 3.88 0.00 -1.26 -1.79 105.19 113.14 3h03 n GLY 62 Ca -0.09 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3h03 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h03 s ALA 63 N 0.00 -0.23 -0.22 4.61 0.00 -1.25 -4.93 121.76 119.75 3h03 s ALA 63 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 3h03 s ALA 63 Cb 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 3h03 s ALA 63 CO 0.00 -0.28 0.12 0.50 0.00 0.00 0.00 175.76 176.10 3h03 s ARG 64 N -2.07 4.02 0.12 0.00 3.52 -1.26 -1.52 118.95 121.75 3h03 s ARG 64 Ca -0.09 -0.30 -0.31 0.00 -0.13 0.00 0.00 55.73 54.89 3h03 s ARG 64 Cb -0.04 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.85 3h03 s ARG 64 CO -0.02 0.14 1.72 0.34 -0.81 0.00 0.00 175.30 176.67 3h03 s ASP 65 N 0.80 6.51 0.43 -2.12 2.15 -0.11 -4.87 116.67 119.46 3h03 s ASP 65 Ca 0.06 2.65 0.12 0.00 0.43 0.00 0.00 52.55 55.81 3h03 s ASP 65 Cb -0.13 -2.57 0.99 0.00 -0.30 0.00 0.00 42.92 40.91 3h03 s ASP 65 CO 0.02 -0.93 2.01 0.00 -0.17 0.00 0.00 175.17 176.10 3h03 h ALA 66 N 8.05 1.92 0.00 3.66 0.00 -1.96 0.33 119.26 131.26 3h03 h ALA 66 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h03 h ALA 66 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3h03 h ALA 66 CO 0.94 -0.02 -0.38 -0.44 0.00 0.00 0.00 179.25 179.35 3h03 h ASP 67 N 0.43 0.00 0.82 0.00 3.32 -1.98 -3.40 116.42 115.61 3h03 h ASP 67 Ca 0.23 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 3h03 h ASP 67 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3h03 h ASP 67 CO -0.06 0.62 -0.27 0.71 -1.72 0.00 0.00 179.24 178.52 3h03 h THR 68 N -0.85 0.68 -0.37 0.35 1.35 -1.98 -3.46 112.91 108.63 3h03 h THR 68 Ca 0.00 -1.19 -0.16 0.00 -0.55 0.00 0.00 66.41 64.51 3h03 h THR 68 Cb 0.38 1.77 -0.06 0.00 -1.73 0.00 0.00 68.15 68.51 3h03 h THR 68 CO 0.00 0.26 -0.14 0.29 -0.25 0.00 0.00 175.52 175.68 3h03 n LYS 69 N -3.49 -0.53 -3.41 4.72 4.76 0.11 -5.00 118.16 115.31 3h03 n LYS 69 Ca -0.00 0.76 -0.38 0.00 -2.87 0.00 0.00 58.31 55.82 3h03 n LYS 69 Cb 0.43 -4.59 -0.06 0.00 -1.84 0.00 0.00 35.03 28.97 3h03 n LYS 69 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3h03 s ILE 70 N -2.29 5.03 0.05 -0.18 1.01 -1.26 -4.73 121.20 118.84 3h03 s ILE 70 Ca 0.00 0.92 -0.21 0.00 0.00 0.00 0.00 60.65 61.37 3h03 s ILE 70 Cb 0.00 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 3h03 s ILE 70 CO 0.00 0.50 0.61 0.26 0.00 0.00 0.00 174.94 176.31 3h03 s TRP 71 N -0.57 3.76 0.34 3.97 0.52 -1.26 -0.93 118.94 124.77 3h03 s TRP 71 Ca 0.25 1.28 0.03 0.00 0.02 0.00 0.00 56.10 57.68 3h03 s TRP 71 Cb -0.17 -2.59 0.03 0.00 -1.15 0.00 0.00 33.47 29.60 3h03 s TRP 71 CO 0.13 0.46 0.25 0.27 0.02 0.00 0.00 176.95 178.09 3h03 n ASN 72 N 2.21 2.06 0.00 2.95 0.23 -0.58 -4.37 115.26 117.76 3h03 n ASN 72 Ca -0.08 -2.15 0.00 0.00 -0.53 0.00 0.00 54.58 51.82 3h03 n ASN 72 Cb 0.51 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 3h03 n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h03 n GLY 73 N 0.95 0.83 0.33 4.83 0.00 -1.26 -1.93 105.19 108.93 3h03 n GLY 73 Ca -0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.18 3h03 n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3h03 h MET 74 N 0.00 1.05 -0.70 1.61 2.86 -0.53 -1.45 114.93 117.77 3h03 h MET 74 Ca 0.00 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3h03 h MET 74 Cb 0.00 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 3h03 h MET 74 CO 0.00 0.87 0.45 0.28 1.06 0.00 0.00 176.91 179.57 3h03 h VAL 75 N 1.02 1.14 -0.63 -2.22 2.07 -1.56 -1.82 116.25 114.25 3h03 h VAL 75 Ca 0.23 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3h03 h VAL 75 Cb 0.23 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3h03 h VAL 75 CO -0.02 0.17 0.33 1.23 0.02 0.00 0.00 177.57 179.30 3h03 h GLY 76 N 0.91 0.96 1.56 2.17 0.00 -0.78 0.51 103.07 108.40 3h03 h GLY 76 Ca 0.27 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3h03 h GLY 76 CO -0.08 0.43 0.20 0.83 0.00 0.00 0.00 176.54 177.93 3h03 h GLU 77 N 0.87 0.58 -0.01 4.80 5.08 -0.72 0.65 114.58 125.83 3h03 h GLU 77 Ca 0.22 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3h03 h GLU 77 Cb 0.07 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.21 3h03 h GLU 77 CO -0.03 0.45 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.03 3h03 h LEU 78 N 0.58 0.31 -0.76 1.33 3.38 -0.89 0.54 115.31 119.80 3h03 h LEU 78 Ca 0.15 -0.76 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 3h03 h LEU 78 Cb 0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3h03 h LEU 78 CO -0.02 1.02 0.45 0.58 0.09 0.00 0.00 178.44 180.56 3h03 h VAL 79 N -0.38 1.22 -0.36 1.22 2.07 -0.63 -2.90 116.25 116.49 3h03 h VAL 79 Ca -0.04 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3h03 h VAL 79 Cb 1.07 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3h03 h VAL 79 CO 0.07 0.23 0.00 -1.22 0.02 0.00 0.00 177.57 176.66 3h03 n TYR 80 N -4.49 0.48 -1.41 1.57 4.01 0.20 -4.95 117.16 112.56 3h03 n TYR 80 Ca 0.07 -0.24 -0.01 0.00 -0.16 0.00 0.00 57.90 57.56 3h03 n TYR 80 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3h03 n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h03 n GLY 81 N 1.18 0.41 0.07 2.72 0.00 -1.10 -4.96 105.19 103.52 3h03 n GLY 81 Ca 0.15 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.32 3h03 n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h03 n LYS 82 N -2.25 0.45 -3.98 1.61 4.76 0.18 -4.94 118.16 114.00 3h03 n LYS 82 Ca -0.01 0.05 -0.09 0.00 -2.87 0.00 0.00 58.31 55.39 3h03 n LYS 82 Cb 0.22 -1.70 -0.10 0.00 -1.84 0.00 0.00 35.03 31.61 3h03 n LYS 82 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h03 s ALA 83 N -3.29 0.13 -0.14 7.82 0.00 -0.86 -4.99 121.76 120.44 3h03 s ALA 83 Ca 0.01 -0.71 0.18 0.00 0.00 0.00 0.00 51.96 51.44 3h03 s ALA 83 Cb 0.12 0.21 -0.14 0.00 0.00 0.00 0.00 23.12 23.32 3h03 s ALA 83 CO 0.79 -0.27 0.78 -0.25 0.00 0.00 0.00 175.76 176.81 3h03 n ASP 84 N 0.93 0.73 -3.55 0.00 8.00 -0.05 -4.50 116.55 118.12 3h03 n ASP 84 Ca -0.20 0.31 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 3h03 n ASP 84 Cb 0.58 0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 42.03 3h03 n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3h03 s ILE 85 N -3.01 0.00 -0.16 0.53 2.07 -0.93 -4.33 121.20 115.38 3h03 s ILE 85 Ca -0.03 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 3h03 s ILE 85 Cb 0.09 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.70 3h03 s ILE 85 CO 0.82 0.00 -0.21 0.00 -1.91 0.00 0.00 174.94 173.64 3h03 s ALA 86 N -0.96 2.24 -0.34 1.50 0.00 0.12 -0.51 121.76 123.81 3h03 s ALA 86 Ca -0.07 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.80 3h03 s ALA 86 Cb -0.01 -1.07 0.10 0.00 0.00 0.00 0.00 23.12 22.14 3h03 s ALA 86 CO 0.07 -0.18 0.06 0.42 0.00 0.00 0.00 175.76 176.12 3h03 s ILE 87 N 1.05 2.08 0.28 0.00 1.01 -0.99 -1.78 121.20 122.84 3h03 s ILE 87 Ca -0.01 -2.22 -0.20 0.00 0.00 0.00 0.00 60.65 58.22 3h03 s ILE 87 Cb -0.14 -2.54 0.06 0.00 0.01 0.00 0.00 42.46 39.84 3h03 s ILE 87 CO -0.07 -0.61 0.88 0.00 0.00 0.00 0.00 174.94 175.14 3h03 s ALA 88 N 1.00 -1.20 -1.31 9.38 0.00 -1.26 -4.64 121.76 123.73 3h03 s ALA 88 Ca 0.11 -0.44 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 3h03 s ALA 88 Cb -0.19 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 3h03 s ALA 88 CO -0.10 -1.03 2.20 -0.35 0.00 0.00 0.00 175.76 176.48 3h03 n PRO 89 N -0.56 2.59 -3.40 0.00 -0.04 -1.26 -4.65 135.00 127.67 3h03 n PRO 89 Ca -0.06 -2.38 -0.41 0.00 -0.04 0.00 0.00 63.50 60.61 3h03 n PRO 89 Cb 0.60 -3.16 -0.09 0.00 -0.04 0.00 0.00 33.50 30.80 3h03 n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h03 s LEU 90 N 1.81 4.45 0.22 1.53 2.96 -1.26 -5.00 118.68 123.38 3h03 s LEU 90 Ca 0.51 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 3h03 s LEU 90 Cb 0.14 -2.34 -0.09 0.00 0.50 0.00 0.00 46.19 44.40 3h03 s LEU 90 CO -0.04 -0.34 1.40 -0.89 -1.32 0.00 0.00 176.35 175.15 3h03 s THR 91 N 2.02 2.89 -0.40 3.68 2.01 -1.26 -1.85 115.64 122.73 3h03 s THR 91 Ca 0.12 0.73 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 3h03 s THR 91 Cb -0.17 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 68.90 3h03 s THR 91 CO 0.12 0.11 1.20 -0.63 -0.69 0.00 0.00 174.62 174.72 3h03 s ILE 92 N 0.16 4.21 0.16 1.82 1.01 -0.31 -4.88 121.20 123.37 3h03 s ILE 92 Ca 0.59 1.30 0.06 0.00 0.00 0.00 0.00 60.65 62.60 3h03 s ILE 92 Cb -0.40 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.61 3h03 s ILE 92 CO 0.40 -0.75 -0.13 0.42 0.00 0.00 0.00 174.94 174.88 3h03 s THR 93 N 4.43 1.40 0.12 2.92 -4.23 -1.26 -4.76 115.64 114.25 3h03 s THR 93 Ca 0.51 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.78 3h03 s THR 93 Cb -0.11 -1.81 -0.06 0.00 1.34 0.00 0.00 72.50 71.87 3h03 s THR 93 CO 0.27 -0.59 1.66 0.25 -0.54 0.00 0.00 174.62 175.66 3h03 h LEU 94 N 2.95 -0.58 -1.72 4.79 5.85 -1.98 0.64 115.31 125.26 3h03 h LEU 94 Ca -0.38 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3h03 h LEU 94 Cb 1.20 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 3h03 h LEU 94 CO 0.59 -0.27 0.24 -0.37 -0.34 0.00 0.00 178.44 178.30 3h03 h VAL 95 N -0.32 1.02 0.24 1.05 -1.51 -2.00 -2.15 116.25 112.58 3h03 h VAL 95 Ca 0.06 -0.13 -0.33 0.00 -1.23 0.00 0.00 66.70 65.07 3h03 h VAL 95 Cb 0.40 0.62 0.04 0.00 -2.13 0.00 0.00 31.29 30.21 3h03 h VAL 95 CO -0.19 0.07 -1.47 0.03 -1.23 0.00 0.00 177.57 174.78 3h03 h ARG 96 N 0.37 0.52 0.00 5.19 3.08 -1.86 -3.23 114.38 118.44 3h03 h ARG 96 Ca 0.15 -0.88 0.00 0.00 0.07 0.00 0.00 59.98 59.32 3h03 h ARG 96 Cb 0.14 0.33 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3h03 h ARG 96 CO -0.03 1.42 0.00 1.49 -1.07 0.00 0.00 179.97 181.78 3h03 h GLU 97 N 0.14 0.00 0.00 0.04 4.57 -0.42 0.12 114.58 119.03 3h03 h GLU 97 Ca -0.25 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 3h03 h GLU 97 Cb 2.15 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.74 3h03 h GLU 97 CO 0.27 0.00 -0.23 0.93 -1.18 0.00 0.00 179.01 178.80 3h03 h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.42 -3.35 114.58 116.81 3h03 h GLU 98 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h03 h GLU 98 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3h03 h GLU 98 CO 0.00 0.23 -0.58 1.33 -1.00 0.00 0.00 179.01 178.99 3h03 n VAL 99 N -3.23 0.00 -4.17 3.13 0.24 -0.14 -5.06 118.33 109.10 3h03 n VAL 99 Ca 0.02 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 3h03 n VAL 99 Cb 0.54 0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 33.57 3h03 n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3h03 s ILE 100 N -1.72 0.05 -0.09 1.34 -4.36 -0.23 -4.32 121.20 111.88 3h03 s ILE 100 Ca 0.00 -1.94 -0.05 0.00 -0.26 0.00 0.00 60.65 58.40 3h03 s ILE 100 Cb 0.03 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 3h03 s ILE 100 CO 0.15 -0.23 0.13 -1.81 0.24 0.00 0.00 174.94 173.42 3h03 s ASP 101 N -3.10 6.23 0.07 4.36 -0.00 0.24 -4.31 116.67 120.16 3h03 s ASP 101 Ca 0.31 0.39 0.10 0.00 -0.00 0.00 0.00 52.55 53.35 3h03 s ASP 101 Cb 0.07 -1.97 -0.03 0.00 -0.00 0.00 0.00 42.92 40.99 3h03 s ASP 101 CO 0.07 0.37 -0.26 -0.36 -0.00 0.00 0.00 175.17 174.98 3h03 s PHE 102 N -1.09 2.32 0.74 4.23 0.08 -1.26 -1.19 117.98 121.81 3h03 s PHE 102 Ca 0.18 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 3h03 s PHE 102 Cb -0.12 -1.35 0.08 0.00 -0.57 0.00 0.00 43.02 41.06 3h03 s PHE 102 CO 0.08 0.18 1.06 -1.54 -0.10 0.00 0.00 175.22 174.90 3h03 s SER 103 N -1.46 4.59 0.71 1.36 1.04 -0.40 -4.96 113.70 114.57 3h03 s SER 103 Ca 0.12 0.43 -0.15 0.00 0.48 0.00 0.00 55.95 56.83 3h03 s SER 103 Cb -0.10 -0.98 0.03 0.00 0.10 0.00 0.00 66.02 65.06 3h03 s SER 103 CO 0.03 -1.76 1.21 -0.54 0.98 0.00 0.00 173.24 173.16 3h03 s LYS 104 N -5.34 2.27 0.37 4.02 -0.14 -1.26 -4.51 119.74 115.15 3h03 s LYS 104 Ca 0.62 1.76 -0.28 0.00 -1.36 0.00 0.00 55.97 56.72 3h03 s LYS 104 Cb -0.10 -1.85 -0.11 0.00 -1.68 0.00 0.00 37.83 34.09 3h03 s LYS 104 CO 0.46 -1.73 1.39 -0.35 -0.76 0.00 0.00 175.35 174.36 3h03 n PRO 105 N -2.55 2.38 0.00 -1.68 -0.04 -1.26 -4.61 135.00 127.24 3h03 n PRO 105 Ca 0.13 0.83 0.10 0.00 -0.04 0.00 0.00 63.50 64.53 3h03 n PRO 105 Cb 0.50 -2.51 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 3h03 n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3h03 n PHE 106 N 0.30 0.00 -3.66 0.54 1.16 0.04 -4.92 117.46 110.91 3h03 n PHE 106 Ca 0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.49 3h03 n PHE 106 Cb 0.38 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.17 3h03 n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3h03 s MET 107 N -2.45 0.67 0.03 3.97 0.00 -1.24 -4.99 119.30 115.29 3h03 s MET 107 Ca 0.17 0.92 0.01 0.00 0.00 0.00 0.00 55.69 56.79 3h03 s MET 107 Cb 0.17 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 35.21 3h03 s MET 107 CO 0.58 -0.11 0.07 -1.12 0.00 0.00 0.00 175.02 174.44 3h03 s SER 108 N 0.76 5.56 0.20 1.11 0.01 -1.26 -1.58 113.70 118.50 3h03 s SER 108 Ca -0.03 0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.21 3h03 s SER 108 Cb -0.05 -1.54 0.03 0.00 0.21 0.00 0.00 66.02 64.67 3h03 s SER 108 CO -0.06 0.23 0.42 0.00 0.41 0.00 0.00 173.24 174.24 3h03 n LEU 109 N 0.89 0.00 -3.63 2.44 -0.00 -0.16 -4.92 117.00 111.63 3h03 n LEU 109 Ca -0.11 -1.33 -0.00 0.00 -0.00 0.00 0.00 56.01 54.56 3h03 n LEU 109 Cb 0.52 1.99 -0.01 0.00 -0.00 0.00 0.00 43.42 45.92 3h03 n LEU 109 CO 0.40 -0.44 0.99 -0.83 -0.00 0.00 0.00 177.39 177.51 3h03 s GLY 110 N -2.10 -0.37 0.31 1.47 0.00 -1.26 -1.00 107.32 104.38 3h03 s GLY 110 Ca 0.08 0.76 -0.29 0.00 0.00 0.00 0.00 44.72 45.28 3h03 s GLY 110 CO 0.06 0.18 1.43 -0.42 0.00 0.00 0.00 173.10 174.35 3h03 s ILE 111 N -2.58 2.43 0.20 0.90 1.01 -1.26 -0.18 121.20 121.72 3h03 s ILE 111 Ca 0.13 0.40 -0.04 0.00 0.00 0.00 0.00 60.65 61.14 3h03 s ILE 111 Cb 0.03 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 3h03 s ILE 111 CO -0.03 0.08 0.21 -0.94 0.00 0.00 0.00 174.94 174.26 3h03 s SER 112 N -0.01 0.11 -0.17 3.58 1.04 0.11 -0.38 113.70 117.98 3h03 s SER 112 Ca 0.55 -1.23 -0.07 0.00 0.48 0.00 0.00 55.95 55.69 3h03 s SER 112 Cb -0.43 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 3h03 s SER 112 CO 0.52 -0.90 0.04 -0.63 0.98 0.00 0.00 173.24 173.26 3h03 s ILE 113 N -4.10 4.62 -0.21 -1.02 1.01 -1.25 -1.45 121.20 118.80 3h03 s ILE 113 Ca 0.32 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 3h03 s ILE 113 Cb 0.05 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 3h03 s ILE 113 CO 0.09 0.47 -0.03 -0.32 0.00 0.00 0.00 174.94 175.16 3h03 s MET 114 N 0.31 3.49 0.21 2.79 -2.45 0.05 -1.67 119.30 122.02 3h03 s MET 114 Ca 0.02 -0.58 0.08 0.00 -1.25 0.00 0.00 55.69 53.97 3h03 s MET 114 Cb -0.13 -3.02 -0.05 0.00 1.25 0.00 0.00 34.83 32.88 3h03 s MET 114 CO 0.01 -0.08 -0.16 0.96 1.05 0.00 0.00 175.02 176.80 3h03 s ILE 115 N 1.19 1.85 0.26 10.11 -4.36 -0.65 -1.44 121.20 128.16 3h03 s ILE 115 Ca 0.03 -2.20 -0.29 0.00 -0.26 0.00 0.00 60.65 57.93 3h03 s ILE 115 Cb -0.14 -2.05 -0.09 0.00 1.25 0.00 0.00 42.46 41.42 3h03 s ILE 115 CO -0.00 -0.53 0.96 -0.75 0.24 0.00 0.00 174.94 174.86 3h03 s LYS 116 N -3.50 4.79 0.20 0.37 2.20 -1.26 -0.75 119.74 121.79 3h03 s LYS 116 Ca 0.22 1.50 -0.32 0.00 -0.36 0.00 0.00 55.97 57.01 3h03 s LYS 116 Cb -0.02 -3.19 -0.15 0.00 -1.51 0.00 0.00 37.83 32.95 3h03 s LYS 116 CO 0.08 0.45 1.16 1.63 -0.36 0.00 0.00 175.35 178.31 3h03 n LYS 117 N 1.31 1.26 0.00 4.03 5.02 -0.17 -1.91 118.16 127.71 3h03 n LYS 117 Ca -0.01 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3h03 n LYS 117 Cb 0.47 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3h03 n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h03 n GLY 118 N 1.91 1.46 3.69 0.72 0.00 -1.26 -4.96 105.19 106.75 3h03 n GLY 118 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3h03 n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h03 s THR 119 N -2.38 3.44 -0.56 2.61 2.01 -0.80 -4.89 115.64 115.06 3h03 s THR 119 Ca 0.00 0.89 -0.06 0.00 0.31 0.00 0.00 61.69 62.83 3h03 s THR 119 Cb 0.00 -3.57 -0.12 0.00 0.01 0.00 0.00 72.50 68.82 3h03 s THR 119 CO 0.00 0.01 2.51 -0.81 -0.69 0.00 0.00 174.62 175.64 3h03 n PRO 120 N 5.17 1.97 -4.55 4.92 -0.04 -1.26 -4.81 135.00 136.40 3h03 n PRO 120 Ca 0.14 -1.18 -0.23 0.00 -0.04 0.00 0.00 63.50 62.18 3h03 n PRO 120 Cb 0.42 -2.20 -0.16 0.00 -0.04 0.00 0.00 33.50 31.53 3h03 n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h03 s ILE 121 N 2.34 1.05 0.00 0.52 -1.09 -1.26 -5.02 121.20 117.73 3h03 s ILE 121 Ca 0.47 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 3h03 s ILE 121 Cb 0.17 -0.94 0.00 0.00 -1.58 0.00 0.00 42.46 40.11 3h03 s ILE 121 CO -0.02 0.32 0.06 -0.62 -1.23 0.00 0.00 174.94 173.45 3h03 n GLU 122 N 3.48 4.90 -3.80 2.79 1.02 -1.26 -4.94 120.64 122.84 3h03 n GLU 122 Ca -0.20 -0.06 -0.05 0.00 -0.02 0.00 0.00 57.16 56.83 3h03 n GLU 122 Cb 0.53 -0.49 -0.01 0.00 -0.02 0.00 0.00 31.44 31.45 3h03 n GLU 122 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3h03 s SER 123 N -0.72 -0.16 0.28 1.62 1.04 -1.26 -2.60 113.70 111.89 3h03 s SER 123 Ca 0.00 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 3h03 s SER 123 Cb 0.00 0.58 0.39 0.00 0.10 0.00 0.00 66.02 67.09 3h03 s SER 123 CO 0.00 -1.09 1.78 0.00 0.98 0.00 0.00 173.24 174.91 3h03 h ALA 124 N 2.00 1.16 -0.47 5.32 0.00 -1.92 -1.96 119.26 123.40 3h03 h ALA 124 Ca -0.24 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.48 3h03 h ALA 124 Cb 1.24 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3h03 h ALA 124 CO 0.27 0.55 0.17 1.49 0.00 0.00 0.00 179.25 181.73 3h03 h GLU 125 N 0.69 0.34 -0.80 0.00 4.57 -1.95 0.10 114.58 117.52 3h03 h GLU 125 Ca 0.14 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 3h03 h GLU 125 Cb 0.43 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 3h03 h GLU 125 CO 0.02 0.22 0.53 -0.44 -1.18 0.00 0.00 179.01 178.16 3h03 h ASP 126 N 0.35 0.85 -0.26 1.04 5.19 -1.76 -2.23 116.42 119.60 3h03 h ASP 126 Ca 0.22 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.53 3h03 h ASP 126 Cb 0.22 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3h03 h ASP 126 CO -0.22 0.59 -0.18 -0.07 -3.12 0.00 0.00 179.24 176.24 3h03 h LEU 127 N 0.99 0.61 -2.00 1.55 3.38 -0.71 -3.13 115.31 116.00 3h03 h LEU 127 Ca 0.32 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3h03 h LEU 127 Cb 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3h03 h LEU 127 CO -0.09 0.92 -0.04 0.77 0.09 0.00 0.00 178.44 180.09 3h03 h SER 128 N 0.31 0.00 -0.48 -0.43 4.64 -0.52 -2.95 113.55 114.12 3h03 h SER 128 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3h03 h SER 128 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3h03 h SER 128 CO 0.05 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 3h03 n LYS 129 N -3.23 2.67 -4.01 4.77 5.02 -0.88 -4.92 118.16 117.58 3h03 n LYS 129 Ca -0.01 -1.96 -0.10 0.00 -2.02 0.00 0.00 58.31 54.22 3h03 n LYS 129 Cb 0.23 -1.60 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 3h03 n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3h03 s GLN 130 N -1.60 1.65 0.00 1.97 1.03 -1.11 -5.08 119.66 116.52 3h03 s GLN 130 Ca 0.36 -1.38 0.00 0.00 0.04 0.00 0.00 55.36 54.38 3h03 s GLN 130 Cb 0.21 0.47 0.00 0.00 0.03 0.00 0.00 33.01 33.72 3h03 s GLN 130 CO 0.20 -0.69 0.00 0.25 -2.54 0.00 0.00 175.29 172.50 3h03 n THR 131 N -0.42 0.00 -0.26 3.63 -2.24 -1.26 -4.83 114.28 108.89 3h03 n THR 131 Ca -0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.79 3h03 n THR 131 Cb 0.62 0.17 0.15 0.00 -2.10 0.00 0.00 70.33 69.17 3h03 n THR 131 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3h03 h GLU 132 N 0.00 0.63 -5.13 -0.78 4.11 -1.97 -3.37 114.58 108.08 3h03 h GLU 132 Ca 0.00 -0.04 -0.65 0.00 0.07 0.00 0.00 59.36 58.74 3h03 h GLU 132 Cb 0.08 -0.14 -0.16 0.00 0.50 0.00 0.00 28.75 29.03 3h03 h GLU 132 CO 0.00 0.42 -0.15 0.42 0.07 0.00 0.00 179.01 179.77 3h03 s ILE 133 N -6.05 5.09 0.67 -1.06 1.01 -1.26 -4.90 121.20 114.70 3h03 s ILE 133 Ca -0.12 0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 3h03 s ILE 133 Cb 0.19 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 3h03 s ILE 133 CO 0.77 -0.14 1.06 0.00 0.00 0.00 0.00 174.94 176.63 3h03 s ALA 134 N 2.23 2.93 -0.09 9.38 0.00 0.94 -4.87 121.76 132.27 3h03 s ALA 134 Ca 0.16 -0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 3h03 s ALA 134 Cb -0.16 -3.08 0.05 0.00 0.00 0.00 0.00 23.12 19.93 3h03 s ALA 134 CO 0.12 -0.95 0.53 1.52 0.00 0.00 0.00 175.76 176.98 3h03 s TYR 135 N -3.21 -0.50 0.00 0.00 1.13 -1.26 -0.13 117.35 113.37 3h03 s TYR 135 Ca 0.57 1.00 0.00 0.00 -1.41 0.00 0.00 57.07 57.23 3h03 s TYR 135 Cb -0.12 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 3h03 s TYR 135 CO 0.53 -0.44 0.00 0.41 -2.51 0.00 0.00 175.55 173.54 3h03 n GLY 136 N 1.64 2.54 0.58 5.49 0.00 -0.96 -4.80 105.19 109.68 3h03 n GLY 136 Ca -0.18 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 3h03 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h03 n THR 137 N 0.00 0.00 -1.94 2.61 -2.24 -1.24 -1.15 114.28 110.32 3h03 n THR 137 Ca 0.00 -0.30 -0.37 0.00 -2.27 0.00 0.00 64.05 61.11 3h03 n THR 137 Cb 0.00 0.19 0.04 0.00 -2.10 0.00 0.00 70.33 68.45 3h03 n THR 137 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h03 s LEU 138 N 0.00 3.72 0.00 3.22 1.43 -1.26 -1.42 118.68 124.38 3h03 s LEU 138 Ca 0.05 2.50 0.22 0.00 -1.03 0.00 0.00 54.13 55.87 3h03 s LEU 138 Cb -0.00 -4.50 1.16 0.00 0.03 0.00 0.00 46.19 42.88 3h03 s LEU 138 CO 0.03 -1.59 1.73 -0.90 0.23 0.00 0.00 176.35 175.85 3h03 n ASP 139 N -1.41 0.00 -3.74 2.29 3.85 0.51 -4.56 116.55 113.48 3h03 n ASP 139 Ca 0.13 -0.12 -0.11 0.00 -0.71 0.00 0.00 54.79 53.98 3h03 n ASP 139 Cb 0.48 -0.25 -0.07 0.00 -1.35 0.00 0.00 41.12 39.94 3h03 n ASP 139 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3h03 s SER 140 N -2.50 -0.10 0.00 -1.12 0.15 -1.26 -5.05 113.70 103.83 3h03 s SER 140 Ca 0.23 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.55 3h03 s SER 140 Cb 0.15 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 3h03 s SER 140 CO 0.33 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.67 3h03 n GLY 141 N 0.20 -0.35 0.25 9.45 0.00 -1.26 -4.75 105.19 108.73 3h03 n GLY 141 Ca -0.17 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.52 3h03 n GLY 141 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h03 h SER 142 N 0.00 0.65 -0.36 1.61 4.64 -1.98 -2.53 113.55 115.59 3h03 h SER 142 Ca 0.00 -0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 3h03 h SER 142 Cb 0.00 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3h03 h SER 142 CO 0.00 0.89 0.10 0.74 -0.87 0.00 0.00 176.83 177.69 3h03 h THR 143 N 0.56 1.21 -0.54 2.95 2.02 -1.94 0.14 112.91 117.31 3h03 h THR 143 Ca 0.07 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 3h03 h THR 143 Cb 0.73 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3h03 h THR 143 CO 0.06 0.24 0.15 0.50 0.37 0.00 0.00 175.52 176.84 3h03 h LYS 144 N 0.43 0.86 -0.04 6.66 3.64 -1.80 -2.66 116.57 123.66 3h03 h LYS 144 Ca 0.12 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 3h03 h LYS 144 Cb 0.27 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3h03 h LYS 144 CO -0.00 0.80 -0.25 0.93 -2.27 0.00 0.00 179.45 178.66 3h03 h GLU 145 N 0.76 0.07 -0.26 1.90 4.39 -1.18 -1.86 114.58 118.40 3h03 h GLU 145 Ca 0.17 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.88 3h03 h GLU 145 Cb 0.31 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3h03 h GLU 145 CO -0.00 0.32 0.10 0.35 -1.16 0.00 0.00 179.01 178.62 3h03 h PHE 146 N 0.06 0.19 -0.25 4.33 3.57 -0.36 -2.17 116.94 122.31 3h03 h PHE 146 Ca 0.01 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 3h03 h PHE 146 Cb 0.47 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3h03 h PHE 146 CO 0.00 0.10 -0.36 0.74 -2.23 0.00 0.00 178.31 176.56 3h03 h PHE 147 N 0.23 0.84 -0.82 0.41 -1.00 -1.42 -2.69 116.94 112.48 3h03 h PHE 147 Ca 0.11 -0.28 0.09 0.00 2.81 0.00 0.00 57.97 60.70 3h03 h PHE 147 Cb 0.06 -0.17 -0.07 0.00 3.61 0.00 0.00 35.95 39.39 3h03 h PHE 147 CO -0.11 1.04 0.48 -0.09 -1.61 0.00 0.00 178.31 178.01 3h03 h ARG 148 N 0.40 0.79 -0.12 1.51 2.43 -1.18 -2.72 114.38 115.50 3h03 h ARG 148 Ca 0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3h03 h ARG 148 Cb 0.94 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3h03 h ARG 148 CO 0.08 0.53 0.00 2.89 -1.51 0.00 0.00 179.97 181.96 3h03 n ARG 149 N -4.72 2.06 -2.21 0.20 1.85 -0.83 -4.98 116.66 108.03 3h03 n ARG 149 Ca 0.13 -1.57 -0.40 0.00 -1.00 0.00 0.00 57.85 55.02 3h03 n ARG 149 Cb 0.25 -1.46 -0.02 0.00 -1.05 0.00 0.00 32.46 30.18 3h03 n ARG 149 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3h03 s SER 150 N -1.82 6.68 0.00 2.89 0.15 -1.02 -4.92 113.70 115.66 3h03 s SER 150 Ca 0.34 2.52 0.17 0.00 0.70 0.00 0.00 55.95 59.68 3h03 s SER 150 Cb 0.20 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 3h03 s SER 150 CO 0.31 -0.58 0.86 0.29 1.20 0.00 0.00 173.24 175.32 3h03 n LYS 151 N 0.52 1.64 -2.50 5.44 5.02 -1.26 -4.60 118.16 122.42 3h03 n LYS 151 Ca 0.02 -0.75 -0.42 0.00 -2.02 0.00 0.00 58.31 55.14 3h03 n LYS 151 Cb 0.44 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 34.12 3h03 n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h03 s ILE 152 N -2.01 4.07 0.16 -0.18 -1.09 -1.26 -4.91 121.20 115.97 3h03 s ILE 152 Ca 0.13 1.60 -0.24 0.00 -2.23 0.00 0.00 60.65 59.91 3h03 s ILE 152 Cb 0.13 -4.02 0.04 0.00 -1.58 0.00 0.00 42.46 37.03 3h03 s ILE 152 CO 0.44 0.19 1.59 0.00 -1.23 0.00 0.00 174.94 175.93 3h03 h ALA 153 N 6.06 -0.27 -0.48 9.38 0.00 -1.99 0.15 119.26 132.12 3h03 h ALA 153 Ca -0.43 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.60 3h03 h ALA 153 Cb 1.21 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 3h03 h ALA 153 CO 0.77 -0.78 0.27 0.28 0.00 0.00 0.00 179.25 179.79 3h03 h VAL 154 N -0.28 1.03 -0.06 0.00 2.07 -1.99 -1.54 116.25 115.47 3h03 h VAL 154 Ca 0.16 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 3h03 h VAL 154 Cb 0.56 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3h03 h VAL 154 CO -0.55 0.10 -0.55 -0.26 0.02 0.00 0.00 177.57 176.32 3h03 h PHE 155 N 0.55 0.24 -0.15 1.57 0.04 -1.85 -2.16 116.94 115.18 3h03 h PHE 155 Ca 0.20 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 3h03 h PHE 155 Cb 0.04 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3h03 h PHE 155 CO -0.08 0.70 0.08 0.22 -0.60 0.00 0.00 178.31 178.64 3h03 h ASP 156 N 0.15 0.19 -0.61 2.17 3.58 -0.32 -0.41 116.42 121.18 3h03 h ASP 156 Ca -0.00 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.37 3h03 h ASP 156 Cb 1.02 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 3h03 h ASP 156 CO 0.08 0.23 0.40 0.50 -2.88 0.00 0.00 179.24 177.57 3h03 h LYS 157 N 0.14 0.78 -0.51 0.28 3.64 -1.17 -0.56 116.57 119.17 3h03 h LYS 157 Ca 0.05 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3h03 h LYS 157 Cb 0.08 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3h03 h LYS 157 CO -0.01 0.51 0.24 0.52 -2.27 0.00 0.00 179.45 178.45 3h03 h MET 158 N 0.80 0.73 -0.23 1.90 2.86 -1.10 -2.16 114.93 117.73 3h03 h MET 158 Ca 0.23 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3h03 h MET 158 Cb -0.06 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3h03 h MET 158 CO -0.06 0.60 0.11 2.35 1.06 0.00 0.00 176.91 180.97 3h03 h TRP 159 N 0.67 0.34 -0.86 -0.22 -0.00 -0.69 0.22 115.95 115.41 3h03 h TRP 159 Ca 0.17 -0.02 0.15 0.00 -0.00 0.00 0.00 58.89 59.19 3h03 h TRP 159 Cb 0.12 -0.10 -0.09 0.00 -0.00 0.00 0.00 29.16 29.08 3h03 h TRP 159 CO -0.01 0.34 0.45 1.15 -0.00 0.00 0.00 178.44 180.38 3h03 h THR 160 N 0.24 0.73 0.18 2.65 2.02 -0.94 -0.27 112.91 117.51 3h03 h THR 160 Ca 0.08 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3h03 h THR 160 Cb 0.13 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 3h03 h THR 160 CO -0.01 0.12 -0.08 0.22 0.37 0.00 0.00 175.52 176.13 3h03 h TYR 161 N 0.64 -0.22 -0.71 3.16 3.20 -0.99 -3.30 116.97 118.76 3h03 h TYR 161 Ca 0.47 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.37 3h03 h TYR 161 Cb 0.66 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 3h03 h TYR 161 CO -0.08 0.17 0.43 0.52 -1.64 0.00 0.00 178.16 177.56 3h03 h MET 162 N -0.69 0.80 0.00 1.82 2.86 -0.39 -0.12 114.93 119.22 3h03 h MET 162 Ca -0.02 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3h03 h MET 162 Cb 0.49 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3h03 h MET 162 CO 0.04 0.53 -0.03 0.07 1.06 0.00 0.00 176.91 178.58 3h03 h ARG 163 N 0.83 0.00 -0.00 1.72 0.11 -1.18 -3.08 114.38 112.78 3h03 h ARG 163 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 3h03 h ARG 163 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 3h03 h ARG 163 CO -0.13 0.03 -0.00 0.43 0.10 0.00 0.00 179.97 180.40 3h03 n SER 164 N -3.37 1.09 -4.75 0.08 7.64 -0.98 -5.05 113.62 108.27 3h03 n SER 164 Ca -0.02 -1.04 -0.38 0.00 1.01 0.00 0.00 58.87 58.43 3h03 n SER 164 Cb 0.16 0.06 0.03 0.00 -1.01 0.00 0.00 64.21 63.45 3h03 n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h03 s ALA 165 N -0.21 2.83 -0.08 -0.43 0.00 -0.09 -5.04 121.76 118.74 3h03 s ALA 165 Ca 0.02 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 3h03 s ALA 165 Cb 0.02 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.64 3h03 s ALA 165 CO 0.03 -1.26 0.19 -1.21 0.00 0.00 0.00 175.76 173.51 3h03 s GLU 166 N -2.89 0.16 0.91 0.00 0.41 -1.26 -3.67 118.70 112.36 3h03 s GLU 166 Ca 0.71 0.38 -0.11 0.00 -0.41 0.00 0.00 54.97 55.54 3h03 s GLU 166 Cb -0.38 -0.08 0.12 0.00 -1.78 0.00 0.00 34.13 32.02 3h03 s GLU 166 CO 0.45 -0.12 1.05 -2.30 -0.49 0.00 0.00 175.26 173.85 3h03 n PRO 167 N 3.85 -0.36 -1.57 0.39 -0.02 -1.26 -5.06 135.00 130.97 3h03 n PRO 167 Ca -0.22 -0.04 -0.45 0.00 -2.02 0.00 0.00 63.50 60.77 3h03 n PRO 167 Cb 0.54 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3h03 n PRO 167 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3h03 n SER 168 N -3.72 1.02 -0.88 2.55 2.88 -1.24 -4.89 113.62 109.34 3h03 n SER 168 Ca 0.11 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.95 3h03 n SER 168 Cb 0.52 -1.25 0.24 0.00 -0.75 0.00 0.00 64.21 62.97 3h03 n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3h03 n VAL 169 N 0.25 0.15 -3.41 2.46 0.24 -1.26 -4.95 118.33 111.81 3h03 n VAL 169 Ca 0.11 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.59 3h03 n VAL 169 Cb 0.31 1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 33.68 3h03 n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3h03 s PHE 170 N -1.85 3.43 0.24 6.34 0.40 -1.26 -3.64 117.98 121.64 3h03 s PHE 170 Ca 0.33 0.85 0.08 0.00 -0.60 0.00 0.00 56.93 57.59 3h03 s PHE 170 Cb 0.21 -2.25 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 3h03 s PHE 170 CO 0.31 0.26 -0.12 0.14 0.70 0.00 0.00 175.22 176.51 3h03 s VAL 171 N -1.83 1.80 -0.10 -0.44 -7.23 -0.51 -4.88 120.40 107.22 3h03 s VAL 171 Ca 0.47 -2.21 0.15 0.00 -1.81 0.00 0.00 61.98 58.58 3h03 s VAL 171 Cb -0.11 -2.20 -0.22 0.00 0.56 0.00 0.00 36.38 34.40 3h03 s VAL 171 CO 0.22 -0.48 0.51 -1.14 -0.31 0.00 0.00 175.10 173.90 3h03 n ARG 172 N -0.48 0.65 -4.22 4.82 0.63 -1.26 -0.36 116.66 116.44 3h03 n ARG 172 Ca -0.07 0.18 -0.13 0.00 -0.92 0.00 0.00 57.85 56.92 3h03 n ARG 172 Cb 0.61 -1.71 -0.10 0.00 0.45 0.00 0.00 32.46 31.71 3h03 n ARG 172 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3h03 s THR 173 N -2.65 0.62 0.16 5.15 -4.23 -1.26 -4.80 115.64 108.63 3h03 s THR 173 Ca -0.06 -1.97 -0.15 0.00 -1.18 0.00 0.00 61.69 58.33 3h03 s THR 173 Cb 0.08 -2.05 0.03 0.00 1.34 0.00 0.00 72.50 71.90 3h03 s THR 173 CO 0.83 -0.53 1.81 0.74 -0.54 0.00 0.00 174.62 176.92 3h03 h THR 174 N 2.75 1.05 -0.93 3.99 2.02 -1.99 -1.52 112.91 118.29 3h03 h THR 174 Ca -0.36 -0.18 0.09 0.00 0.77 0.00 0.00 66.41 66.73 3h03 h THR 174 Cb 1.20 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.02 3h03 h THR 174 CO 0.63 0.10 0.60 0.00 0.37 0.00 0.00 175.52 177.21 3h03 h ALA 175 N 1.19 1.56 -0.40 6.16 0.00 -1.99 0.57 119.26 126.35 3h03 h ALA 175 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3h03 h ALA 175 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3h03 h ALA 175 CO -0.07 0.25 -0.03 1.49 0.00 0.00 0.00 179.25 180.89 3h03 h GLU 176 N 0.97 0.73 -0.16 0.00 4.81 -1.77 -0.58 114.58 118.59 3h03 h GLU 176 Ca 0.43 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3h03 h GLU 176 Cb 0.36 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3h03 h GLU 176 CO -0.19 0.83 0.07 0.78 -0.73 0.00 0.00 179.01 179.78 3h03 h GLY 177 N 0.55 0.24 0.94 1.92 0.00 -0.23 -1.09 103.07 105.40 3h03 h GLY 177 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3h03 h GLY 177 CO 0.03 0.11 0.15 -2.08 0.00 0.00 0.00 176.54 174.75 3h03 h VAL 178 N 0.12 1.16 -0.75 4.60 2.07 -0.90 -2.12 116.25 120.43 3h03 h VAL 178 Ca 0.05 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3h03 h VAL 178 Cb 0.12 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3h03 h VAL 178 CO -0.01 0.17 0.49 0.00 0.02 0.00 0.00 177.57 178.24 3h03 h ALA 179 N 1.00 1.45 -0.68 1.67 0.00 -1.03 -1.87 119.26 119.81 3h03 h ALA 179 Ca 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3h03 h ALA 179 Cb 0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3h03 h ALA 179 CO -0.01 0.50 0.15 -0.09 0.00 0.00 0.00 179.25 179.80 3h03 h ARG 180 N 1.02 1.09 -0.55 0.00 2.43 -0.72 -1.36 114.38 116.29 3h03 h ARG 180 Ca 0.27 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3h03 h ARG 180 Cb -0.11 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 3h03 h ARG 180 CO -0.06 0.97 0.18 0.28 -1.51 0.00 0.00 179.97 179.84 3h03 h VAL 181 N 1.03 1.23 0.00 0.20 2.07 -0.83 -2.12 116.25 117.84 3h03 h VAL 181 Ca 0.21 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 3h03 h VAL 181 Cb 0.39 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3h03 h VAL 181 CO 0.01 0.29 -0.31 0.03 0.02 0.00 0.00 177.57 177.60 3h03 h ARG 182 N 0.76 0.00 -0.00 1.57 3.08 -0.97 -3.19 114.38 115.63 3h03 h ARG 182 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3h03 h ARG 182 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3h03 h ARG 182 CO -0.01 0.31 -0.92 0.36 -1.07 0.00 0.00 179.97 178.65 3h03 n LYS 183 N -3.75 0.18 -0.28 0.04 2.85 -0.55 -4.42 118.16 112.22 3h03 n LYS 183 Ca -0.01 -0.15 0.05 0.00 -1.05 0.00 0.00 58.31 57.16 3h03 n LYS 183 Cb 0.41 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.48 3h03 n LYS 183 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3h03 n SER 184 N -1.28 2.51 -4.10 -5.58 7.64 -0.80 -4.93 113.62 107.07 3h03 n SER 184 Ca 0.05 -2.15 -0.34 0.00 1.01 0.00 0.00 58.87 57.43 3h03 n SER 184 Cb 0.35 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 3h03 n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3h03 n LYS 185 N 0.55 -3.40 -0.87 1.43 5.02 -1.26 -0.24 118.16 119.38 3h03 n LYS 185 Ca 0.13 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 3h03 n LYS 185 Cb 0.46 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 3h03 n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h03 n GLY 186 N -1.38 0.71 0.65 0.72 0.00 -1.26 -4.91 105.19 99.71 3h03 n GLY 186 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3h03 n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h03 n LYS 187 N -2.53 1.88 -3.91 1.61 4.76 0.66 -4.83 118.16 115.80 3h03 n LYS 187 Ca 0.00 -1.29 -0.16 0.00 -2.87 0.00 0.00 58.31 53.99 3h03 n LYS 187 Cb 0.00 -1.46 -0.16 0.00 -1.84 0.00 0.00 35.03 31.58 3h03 n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3h03 s TYR 188 N -1.89 0.26 -0.02 2.13 5.04 -1.26 -0.04 117.35 121.57 3h03 s TYR 188 Ca 0.35 0.02 0.05 0.00 -2.44 0.00 0.00 57.07 55.05 3h03 s TYR 188 Cb 0.20 -0.36 -0.03 0.00 0.35 0.00 0.00 41.96 42.12 3h03 s TYR 188 CO 0.31 -0.11 -0.18 0.00 -1.34 0.00 0.00 175.55 174.23 3h03 s ALA 189 N 0.94 2.54 -0.15 3.97 0.00 0.82 -4.53 121.76 125.35 3h03 s ALA 189 Ca -0.09 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 3h03 s ALA 189 Cb -0.13 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 3h03 s ALA 189 CO -0.02 0.56 -0.07 -0.47 0.00 0.00 0.00 175.76 175.75 3h03 s TYR 190 N -0.76 2.93 -0.25 0.00 5.04 -0.52 -2.27 117.35 121.51 3h03 s TYR 190 Ca 0.12 -0.51 -0.16 0.00 -2.44 0.00 0.00 57.07 54.08 3h03 s TYR 190 Cb -0.10 -1.93 -0.04 0.00 0.35 0.00 0.00 41.96 40.24 3h03 s TYR 190 CO 0.01 -0.17 0.41 -0.51 -1.34 0.00 0.00 175.55 173.96 3h03 s LEU 191 N 0.50 4.07 0.33 6.97 1.43 -0.30 -0.77 118.68 130.91 3h03 s LEU 191 Ca -0.06 0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 3h03 s LEU 191 Cb -0.15 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.60 3h03 s LEU 191 CO 0.03 -0.18 0.60 -1.48 0.23 0.00 0.00 176.35 175.55 3h03 s LEU 192 N 1.93 0.45 0.35 1.79 2.34 -0.53 -4.58 118.68 120.42 3h03 s LEU 192 Ca 0.17 -1.20 -0.29 0.00 0.06 0.00 0.00 54.13 52.88 3h03 s LEU 192 Cb -0.15 2.07 -0.11 0.00 -0.56 0.00 0.00 46.19 47.44 3h03 s LEU 192 CO 0.09 -1.40 1.52 -1.61 -1.06 0.00 0.00 176.35 173.90 3h03 s GLU 193 N -3.08 4.12 0.40 1.48 2.02 -1.26 0.08 118.70 122.45 3h03 s GLU 193 Ca 0.22 2.57 0.09 0.00 0.02 0.00 0.00 54.97 57.87 3h03 s GLU 193 Cb -0.02 -2.99 0.86 0.00 0.10 0.00 0.00 34.13 32.08 3h03 s GLU 193 CO 0.14 -0.56 1.98 0.66 0.02 0.00 0.00 175.26 177.50 3h03 h SER 194 N 3.64 0.53 -0.23 -0.19 4.64 -0.88 -1.99 113.55 119.07 3h03 h SER 194 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3h03 h SER 194 Cb 1.23 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3h03 h SER 194 CO 0.69 0.34 0.12 0.71 -0.87 0.00 0.00 176.83 177.83 3h03 h THR 195 N 0.60 1.12 -0.58 2.95 1.35 -1.90 0.15 112.91 116.60 3h03 h THR 195 Ca 0.27 -0.33 -0.10 0.00 -0.55 0.00 0.00 66.41 65.70 3h03 h THR 195 Cb 0.30 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 3h03 h THR 195 CO -0.08 0.12 -0.04 -0.03 -0.25 0.00 0.00 175.52 175.23 3h03 h MET 196 N 0.26 1.05 -0.16 4.72 -1.53 -1.88 -1.68 114.93 115.71 3h03 h MET 196 Ca 0.08 -0.36 0.01 0.00 -3.44 0.00 0.00 59.70 55.99 3h03 h MET 196 Cb 0.08 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.03 3h03 h MET 196 CO -0.01 1.05 0.08 -0.97 0.14 0.00 0.00 176.91 177.20 3h03 h ASN 197 N 0.94 0.11 -0.93 1.39 -0.73 -1.06 -0.76 115.58 114.53 3h03 h ASN 197 Ca 0.16 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.34 3h03 h ASN 197 Cb 0.61 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 39.14 3h03 h ASN 197 CO 0.04 0.09 0.60 -0.33 -0.37 0.00 0.00 177.43 177.45 3h03 h GLU 198 N 0.17 1.25 0.10 6.67 5.08 -0.57 -1.99 114.58 125.29 3h03 h GLU 198 Ca 0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3h03 h GLU 198 Cb 0.02 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.99 3h03 h GLU 198 CO -0.05 0.84 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.83 3h03 h TYR 199 N 1.27 -0.13 -0.03 4.33 3.20 -0.88 -3.04 116.97 121.70 3h03 h TYR 199 Ca 0.34 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 3h03 h TYR 199 Cb -0.11 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 3h03 h TYR 199 CO -0.00 0.18 -0.04 0.82 -1.64 0.00 0.00 178.16 177.48 3h03 h ILE 200 N -0.45 1.05 0.00 1.81 1.08 -1.11 -0.32 117.51 119.56 3h03 h ILE 200 Ca -0.01 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3h03 h ILE 200 Cb 0.37 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 3h03 h ILE 200 CO 0.02 0.06 0.00 -0.08 -0.69 0.00 0.00 178.15 177.47 3h03 h GLU 201 N 0.04 0.00 -0.39 2.37 4.81 -1.24 -2.41 114.58 117.76 3h03 h GLU 201 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3h03 h GLU 201 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3h03 h GLU 201 CO 0.01 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.33 3h03 n GLN 202 N -2.92 3.60 -4.74 1.92 1.13 -0.13 -4.84 117.38 111.41 3h03 n GLN 202 Ca -0.01 -2.91 -0.26 0.00 -1.94 0.00 0.00 57.00 51.88 3h03 n GLN 202 Cb 0.20 -1.96 -0.14 0.00 0.11 0.00 0.00 30.24 28.44 3h03 n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3h03 s ARG 203 N -2.67 1.49 0.66 -1.09 1.81 -0.91 -0.49 118.95 117.76 3h03 s ARG 203 Ca 0.46 -0.93 -0.17 0.00 -1.72 0.00 0.00 55.73 53.37 3h03 s ARG 203 Cb 0.35 -1.58 -0.01 0.00 -0.45 0.00 0.00 34.95 33.26 3h03 s ARG 203 CO 0.12 0.41 1.10 1.63 -0.68 0.00 0.00 175.30 177.88 3h03 n LYS 204 N 1.96 0.84 0.00 3.54 4.76 -1.26 -0.56 118.16 127.43 3h03 n LYS 204 Ca -0.17 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3h03 n LYS 204 Cb 0.53 -2.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 3h03 n LYS 204 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3h03 n PRO 205 N -1.68 0.86 -3.91 1.97 -0.04 -1.26 -4.94 135.00 125.99 3h03 n PRO 205 Ca 0.14 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 3h03 n PRO 205 Cb 0.48 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.61 3h03 n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h03 n ASP 207 N -2.97 2.31 -4.58 0.00 5.75 -1.26 -5.00 116.55 110.80 3h03 n ASP 207 Ca -0.27 -2.19 -0.24 0.00 -0.01 0.00 0.00 54.79 52.08 3h03 n ASP 207 Cb 0.66 -0.13 -0.09 0.00 -1.03 0.00 0.00 41.12 40.54 3h03 n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3h03 s THR 208 N -1.32 2.69 -0.09 2.12 -4.23 -1.26 -1.00 115.64 112.54 3h03 s THR 208 Ca 0.11 -2.10 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 3h03 s THR 208 Cb 0.08 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.28 3h03 s THR 208 CO 0.04 -0.28 0.30 -0.32 -0.54 0.00 0.00 174.62 173.81 3h03 s MET 209 N -3.64 0.41 -0.17 3.99 1.75 0.07 -4.72 119.30 116.98 3h03 s MET 209 Ca 0.33 0.30 -0.17 0.00 -1.25 0.00 0.00 55.69 54.89 3h03 s MET 209 Cb -0.02 0.19 -0.04 0.00 2.84 0.00 0.00 34.83 37.80 3h03 s MET 209 CO 0.18 -0.07 0.45 0.21 -0.65 0.00 0.00 175.02 175.15 3h03 s LYS 210 N -0.13 4.24 0.13 4.11 2.20 -1.26 -1.63 119.74 127.39 3h03 s LYS 210 Ca -0.03 0.34 0.08 0.00 -0.36 0.00 0.00 55.97 56.00 3h03 s LYS 210 Cb -0.03 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 3h03 s LYS 210 CO 0.01 0.01 -0.18 0.14 -0.36 0.00 0.00 175.35 174.97 3h03 s VAL 211 N 1.14 1.63 0.25 4.02 -7.23 -0.67 -5.02 120.40 114.52 3h03 s VAL 211 Ca 0.23 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3h03 s VAL 211 Cb -0.15 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.17 3h03 s VAL 211 CO 0.09 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3h03 n GLY 212 N 0.71 -2.40 3.88 2.32 0.00 -1.07 -3.76 105.19 104.87 3h03 n GLY 212 Ca -0.17 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 3h03 n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h03 s GLY 213 N -6.02 1.64 0.61 -0.02 0.00 -1.26 -4.86 107.32 97.41 3h03 s GLY 213 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.27 3h03 s GLY 213 CO 0.00 0.06 1.23 -1.31 0.00 0.00 0.00 173.10 173.08 3h03 s ASN 214 N -4.29 5.00 0.21 1.64 0.01 -1.26 -4.86 114.94 111.39 3h03 s ASN 214 Ca 0.57 2.45 0.19 0.00 -0.71 0.00 0.00 52.86 55.36 3h03 s ASN 214 Cb -0.11 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 38.97 3h03 s ASN 214 CO 0.52 -1.72 1.14 -0.07 -1.51 0.00 0.00 177.10 175.46 3h03 h LEU 215 N 0.75 0.00 0.00 0.60 3.38 -1.02 -3.48 115.31 115.54 3h03 h LEU 215 Ca -0.50 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.17 3h03 h LEU 215 Cb 1.31 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 3h03 h LEU 215 CO 0.54 0.29 -0.16 -0.90 0.09 0.00 0.00 178.44 178.30 3h03 n ASP 216 N -2.92 -1.33 -3.85 -0.43 5.75 -1.26 -4.94 116.55 107.57 3h03 n ASP 216 Ca -0.02 -2.91 -0.18 0.00 -0.01 0.00 0.00 54.79 51.67 3h03 n ASP 216 Cb 0.68 2.50 -0.16 0.00 -1.03 0.00 0.00 41.12 43.10 3h03 n ASP 216 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3h03 s SER 217 N -3.18 0.65 0.33 -1.12 0.01 -1.26 -4.10 113.70 105.03 3h03 s SER 217 Ca 0.30 -0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.43 3h03 s SER 217 Cb -0.01 -0.32 0.02 0.00 0.21 0.00 0.00 66.02 65.93 3h03 s SER 217 CO 0.21 -0.08 0.54 2.29 0.41 0.00 0.00 173.24 176.61 3h03 n LYS 218 N 4.12 0.78 -3.76 12.44 2.85 -0.17 -5.00 118.16 129.41 3h03 n LYS 218 Ca -0.26 -2.30 -0.10 0.00 -1.05 0.00 0.00 58.31 54.61 3h03 n LYS 218 Cb 0.51 2.44 -0.05 0.00 -0.65 0.00 0.00 35.03 37.27 3h03 n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3h03 s GLY 219 N -2.90 -0.01 -0.05 2.58 0.00 -1.26 -0.99 107.32 104.68 3h03 s GLY 219 Ca 0.21 -0.36 -0.09 0.00 0.00 0.00 0.00 44.72 44.49 3h03 s GLY 219 CO 0.16 -0.49 0.24 -0.19 0.00 0.00 0.00 173.10 172.82 3h03 s TYR 220 N -3.86 3.62 0.16 1.90 2.02 -0.61 -1.16 117.35 119.41 3h03 s TYR 220 Ca 0.08 0.65 0.02 0.00 -0.37 0.00 0.00 57.07 57.45 3h03 s TYR 220 Cb 0.02 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 3h03 s TYR 220 CO -0.07 0.68 -0.02 0.20 -1.57 0.00 0.00 175.55 174.77 3h03 s GLY 221 N -1.24 1.13 -0.01 0.71 0.00 -0.77 -0.78 107.32 106.36 3h03 s GLY 221 Ca 0.21 -1.54 -0.21 0.00 0.00 0.00 0.00 44.72 43.18 3h03 s GLY 221 CO 0.10 -1.52 0.61 -0.42 0.00 0.00 0.00 173.10 171.87 3h03 s ILE 222 N -3.62 4.91 0.01 0.90 1.01 -1.26 -4.43 121.20 118.72 3h03 s ILE 222 Ca 0.21 1.28 0.04 0.00 0.00 0.00 0.00 60.65 62.18 3h03 s ILE 222 Cb 0.06 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3h03 s ILE 222 CO 0.02 0.41 -0.08 0.00 0.00 0.00 0.00 174.94 175.28 3h03 s ALA 223 N -0.13 2.96 0.07 9.38 0.00 -0.74 -1.28 121.76 132.03 3h03 s ALA 223 Ca 0.32 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3h03 s ALA 223 Cb -0.18 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3h03 s ALA 223 CO 0.18 0.61 -0.08 0.95 0.00 0.00 0.00 175.76 177.42 3h03 s THR 224 N -1.00 0.65 0.58 0.00 -4.23 -0.33 -0.71 115.64 110.60 3h03 s THR 224 Ca 0.17 -1.47 -0.20 0.00 -1.18 0.00 0.00 61.69 59.01 3h03 s THR 224 Cb -0.11 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 3h03 s THR 224 CO 0.08 -0.58 1.29 -2.65 -0.54 0.00 0.00 174.62 172.21 3h03 n PRO 225 N 0.79 1.43 -1.89 3.99 -0.02 -1.26 -0.59 135.00 137.46 3h03 n PRO 225 Ca -0.18 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 3h03 n PRO 225 Cb 0.57 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3h03 n PRO 225 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h03 s LYS 226 N -2.99 4.19 0.00 -0.52 1.02 -1.26 -1.75 119.74 118.44 3h03 s LYS 226 Ca 0.75 2.43 0.00 0.00 0.02 0.00 0.00 55.97 59.17 3h03 s LYS 226 Cb -0.41 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 3h03 s LYS 226 CO 0.47 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 3h03 n GLY 227 N 3.21 0.73 3.76 -3.33 0.00 -1.26 -5.02 105.19 103.28 3h03 n GLY 227 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3h03 n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h03 s SER 228 N -2.99 6.73 0.35 1.61 0.15 -0.71 -4.91 113.70 113.91 3h03 s SER 228 Ca 0.00 2.66 0.14 0.00 0.70 0.00 0.00 55.95 59.45 3h03 s SER 228 Cb 0.00 -2.64 0.63 0.00 -1.71 0.00 0.00 66.02 62.30 3h03 s SER 228 CO 0.00 -0.61 1.75 0.77 1.20 0.00 0.00 173.24 176.35 3h03 h SER 229 N 4.23 0.00 0.62 5.45 4.64 -1.96 -2.96 113.55 123.58 3h03 h SER 229 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3h03 h SER 229 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3h03 h SER 229 CO 0.71 0.44 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.98 3h03 h LEU 230 N 0.00 0.00 -0.51 5.97 3.38 -1.96 -3.31 115.31 118.88 3h03 h LEU 230 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3h03 h LEU 230 Cb 0.83 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 3h03 h LEU 230 CO 0.06 0.07 -0.26 1.23 0.09 0.00 0.00 178.44 179.63 3h03 h GLY 231 N 1.31 0.05 0.92 0.83 0.00 -1.89 -1.34 103.07 102.95 3h03 h GLY 231 Ca -0.00 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 3h03 h GLY 231 CO 0.01 -0.22 -0.17 -0.57 0.00 0.00 0.00 176.54 175.60 3h03 h ASN 232 N -0.14 -0.41 -0.82 0.19 -1.24 -1.81 -2.12 115.58 109.23 3h03 h ASN 232 Ca 0.23 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.27 3h03 h ASN 232 Cb 0.50 0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.63 3h03 h ASN 232 CO -0.59 -0.27 0.54 0.00 -1.29 0.00 0.00 177.43 175.82 3h03 h ALA 233 N 0.29 1.39 -0.50 1.57 0.00 -1.73 -2.36 119.26 117.93 3h03 h ALA 233 Ca -0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3h03 h ALA 233 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3h03 h ALA 233 CO 0.03 0.55 0.08 0.28 0.00 0.00 0.00 179.25 180.20 3h03 h VAL 234 N 1.12 1.25 -0.81 0.00 2.07 -1.08 -1.78 116.25 117.02 3h03 h VAL 234 Ca 0.30 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 3h03 h VAL 234 Cb -0.11 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3h03 h VAL 234 CO -0.06 0.33 0.33 -1.13 0.02 0.00 0.00 177.57 177.06 3h03 h ASN 235 N 0.70 1.11 -0.11 0.57 -1.24 -1.09 -2.11 115.58 113.41 3h03 h ASN 235 Ca 0.15 -0.17 -0.08 0.00 0.71 0.00 0.00 56.30 56.92 3h03 h ASN 235 Cb 0.39 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 3h03 h ASN 235 CO 0.01 0.97 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.90 3h03 h LEU 236 N 1.18 0.46 -0.54 0.34 3.38 -1.21 -2.55 115.31 116.36 3h03 h LEU 236 Ca 0.27 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3h03 h LEU 236 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3h03 h LEU 236 CO -0.02 0.64 -0.03 0.00 0.09 0.00 0.00 178.44 179.12 3h03 h ALA 237 N 1.41 0.73 -0.69 1.53 0.00 -0.86 -1.03 119.26 120.34 3h03 h ALA 237 Ca 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3h03 h ALA 237 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3h03 h ALA 237 CO 0.03 0.58 0.33 0.28 0.00 0.00 0.00 179.25 180.47 3h03 h VAL 238 N 0.85 1.23 -0.17 0.00 2.07 -1.14 0.50 116.25 119.60 3h03 h VAL 238 Ca 0.15 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3h03 h VAL 238 Cb 0.58 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3h03 h VAL 238 CO 0.03 0.28 -0.01 -0.07 0.02 0.00 0.00 177.57 177.81 3h03 h LEU 239 N 0.97 0.31 -0.85 2.57 3.38 -1.28 -2.22 115.31 118.19 3h03 h LEU 239 Ca 0.24 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3h03 h LEU 239 Cb 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3h03 h LEU 239 CO -0.03 0.57 0.55 0.50 0.09 0.00 0.00 178.44 180.12 3h03 h LYS 240 N 0.04 1.06 -0.37 1.13 3.64 -0.95 -1.05 116.57 120.08 3h03 h LYS 240 Ca 0.05 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3h03 h LYS 240 Cb 0.42 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3h03 h LYS 240 CO 0.01 0.70 0.02 -0.07 -2.27 0.00 0.00 179.45 177.85 3h03 h LEU 241 N 1.09 0.53 -0.14 5.20 3.38 -0.80 -0.85 115.31 123.72 3h03 h LEU 241 Ca 0.33 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 3h03 h LEU 241 Cb -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3h03 h LEU 241 CO -0.10 0.58 -0.42 -1.13 0.09 0.00 0.00 178.44 177.47 3h03 h ASN 242 N 0.55 0.61 0.27 -0.43 -0.00 -0.74 -1.22 115.58 114.61 3h03 h ASN 242 Ca 0.12 -0.59 -0.03 0.00 -0.00 0.00 0.00 56.30 55.79 3h03 h ASN 242 Cb 0.31 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.45 3h03 h ASN 242 CO 0.01 1.10 -0.16 -0.33 -0.00 0.00 0.00 177.43 178.04 3h03 h GLU 243 N 0.15 0.00 -0.00 6.67 5.08 -0.94 -0.32 114.58 125.22 3h03 h GLU 243 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h03 h GLU 243 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3h03 h GLU 243 CO 0.09 0.16 -0.11 1.04 -1.00 0.00 0.00 179.01 179.20 3h03 n GLN 244 N -3.98 0.24 -0.96 2.33 6.02 -0.35 -4.90 117.38 115.78 3h03 n GLN 244 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3h03 n GLN 244 Cb 0.25 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3h03 n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h03 n GLY 245 N 1.41 0.77 0.22 1.08 0.00 -0.13 -4.93 105.19 103.60 3h03 n GLY 245 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3h03 n GLY 245 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h03 h LEU 246 N 0.00 0.00 -0.22 0.99 3.38 -1.44 -2.36 115.31 115.66 3h03 h LEU 246 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3h03 h LEU 246 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h03 h LEU 246 CO 0.00 0.27 -0.26 -0.07 0.09 0.00 0.00 178.44 178.47 3h03 h LEU 247 N 0.00 0.61 -0.75 1.67 3.38 -1.83 -1.69 115.31 116.71 3h03 h LEU 247 Ca -0.00 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 3h03 h LEU 247 Cb 0.60 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3h03 h LEU 247 CO 0.04 0.98 0.22 0.44 0.09 0.00 0.00 178.44 180.21 3h03 h ASP 248 N 0.26 1.10 -0.30 -0.43 3.32 -1.86 -1.39 116.42 117.11 3h03 h ASP 248 Ca 0.03 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.90 3h03 h ASP 248 Cb 0.83 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3h03 h ASP 248 CO 0.06 1.02 0.10 0.50 -1.72 0.00 0.00 179.24 179.21 3h03 h LYS 249 N 1.12 0.23 -0.79 3.56 3.64 -1.32 0.29 116.57 123.28 3h03 h LYS 249 Ca 0.24 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3h03 h LYS 249 Cb 0.32 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3h03 h LYS 249 CO -0.01 0.15 0.32 1.25 -2.27 0.00 0.00 179.45 178.89 3h03 h LEU 250 N 0.23 1.09 -0.23 5.20 5.85 -0.99 -1.11 115.31 125.36 3h03 h LEU 250 Ca 0.14 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3h03 h LEU 250 Cb 0.11 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3h03 h LEU 250 CO -0.14 0.96 0.07 0.50 -0.34 0.00 0.00 178.44 179.49 3h03 h LYS 251 N 1.15 0.35 -0.84 1.25 1.63 -0.78 -2.33 116.57 117.01 3h03 h LYS 251 Ca 0.26 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.98 3h03 h LYS 251 Cb 0.21 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 3h03 h LYS 251 CO -0.02 0.45 0.51 -0.97 -3.45 0.00 0.00 179.45 175.97 3h03 h ASN 252 N 0.19 1.01 0.24 4.20 -1.24 -0.71 -1.74 115.58 117.54 3h03 h ASN 252 Ca 0.07 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 3h03 h ASN 252 Cb 0.25 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.04 3h03 h ASN 252 CO -0.00 0.77 -0.12 0.50 -1.29 0.00 0.00 177.43 177.29 3h03 h LYS 253 N 1.16 -0.32 0.00 6.67 3.64 -0.99 0.19 116.57 126.92 3h03 h LYS 253 Ca 0.30 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3h03 h LYS 253 Cb -0.05 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3h03 h LYS 253 CO -0.06 -0.08 -0.02 -1.49 -2.27 0.00 0.00 179.45 175.53 3h03 h TRP 254 N -0.51 0.00 0.02 1.91 4.06 -1.40 -1.65 115.95 118.38 3h03 h TRP 254 Ca -0.03 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.53 3h03 h TRP 254 Cb 0.38 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.48 3h03 h TRP 254 CO -0.01 0.02 -2.17 0.91 -3.56 0.00 0.00 178.44 173.63 3h03 n TRP 255 N -3.10 0.41 -0.09 0.49 8.01 -0.66 -4.60 117.44 117.90 3h03 n TRP 255 Ca 0.04 0.14 -0.15 0.00 -1.31 0.00 0.00 57.50 56.21 3h03 n TRP 255 Cb 0.53 -1.05 -0.08 0.00 -2.01 0.00 0.00 31.31 28.71 3h03 n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3h03 n TYR 256 N -3.96 0.00 -0.00 -5.99 4.01 -0.04 -3.70 117.16 107.48 3h03 n TYR 256 Ca -0.45 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.32 3h03 n TYR 256 Cb 0.89 -0.67 0.38 0.00 -0.31 0.00 0.00 39.34 39.63 3h03 n TYR 256 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3h03 h ASP 257 N -0.27 0.48 -0.65 7.72 3.32 -0.58 -1.02 116.42 125.41 3h03 h ASP 257 Ca -0.42 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3h03 h ASP 257 Cb 1.53 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3h03 h ASP 257 CO -0.15 0.41 0.00 0.29 -1.72 0.00 0.00 179.24 178.07 3h03 n LYS 258 N -4.41 3.06 -1.03 3.56 5.02 -0.63 -4.98 118.16 118.74 3h03 n LYS 258 Ca 0.03 -2.58 -0.31 0.00 -2.02 0.00 0.00 58.31 53.43 3h03 n LYS 258 Cb 0.12 -1.69 0.12 0.00 -0.02 0.00 0.00 35.03 33.56 3h03 n LYS 258 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3h03 s GLY 259 N -0.94 1.68 0.00 0.72 0.00 -0.39 -4.97 107.32 103.42 3h03 s GLY 259 Ca 0.47 0.38 0.07 0.00 0.00 0.00 0.00 44.72 45.64 3h03 s GLY 259 CO 0.27 0.76 0.73 1.18 0.00 0.00 0.00 173.10 176.04 3h03 n GLU 260 N -3.82 0.12 0.00 2.90 1.02 0.36 -5.04 120.64 116.17 3h03 n GLU 260 Ca 0.10 -0.93 0.01 0.00 -0.02 0.00 0.00 57.16 56.32 3h03 n GLU 260 Cb 0.53 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 3h03 n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31