#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 4.36 -0.34 12.58 1.01 0.11 -4.88 120.40 133.25 3h03 s VAL 6 Ca 0.00 1.69 -0.21 0.00 0.00 0.00 0.00 61.98 63.46 3h03 s VAL 6 Cb 0.00 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 3h03 s VAL 6 CO 0.00 0.07 0.65 -0.69 0.00 0.00 0.00 175.10 175.14 3h03 s VAL 7 N 1.54 4.89 -0.19 2.92 1.01 -1.26 -1.14 120.40 128.16 3h03 s VAL 7 Ca 0.55 0.73 -0.09 0.00 0.00 0.00 0.00 61.98 63.18 3h03 s VAL 7 Cb -0.25 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3h03 s VAL 7 CO 0.25 -0.26 0.11 -0.69 0.00 0.00 0.00 175.10 174.52 3h03 s VAL 8 N 2.72 5.25 -0.11 2.92 1.01 -0.42 -0.75 120.40 131.01 3h03 s VAL 8 Ca 0.26 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 3h03 s VAL 8 Cb -0.14 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3h03 s VAL 8 CO 0.14 0.46 0.00 0.28 0.00 0.00 0.00 175.10 175.98 3h03 s THR 9 N 0.22 4.29 0.10 3.92 -1.32 0.01 -1.01 115.64 121.86 3h03 s THR 9 Ca 0.07 -0.24 0.01 0.00 -1.21 0.00 0.00 61.69 60.32 3h03 s THR 9 Cb -0.11 -2.83 -0.00 0.00 -1.51 0.00 0.00 72.50 68.04 3h03 s THR 9 CO -0.01 0.57 0.11 1.07 -2.21 0.00 0.00 174.62 174.16 3h03 n THR 10 N 2.51 0.00 -3.91 5.08 5.66 -0.41 -2.49 114.28 120.72 3h03 n THR 10 Ca -0.18 -0.62 -0.11 0.00 -3.05 0.00 0.00 64.05 60.10 3h03 n THR 10 Cb 0.53 0.34 -0.12 0.00 -1.55 0.00 0.00 70.33 69.53 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 -2.47 0.05 -0.70 1.09 2.07 -1.26 -0.66 121.20 119.32 3h03 s ILE 11 Ca 0.10 -0.45 -0.26 0.00 -1.41 0.00 0.00 60.65 58.62 3h03 s ILE 11 Cb 0.00 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.41 3h03 s ILE 11 CO 0.07 -0.25 1.58 -0.76 -1.91 0.00 0.00 174.94 173.68 3h03 s LEU 12 N -0.75 3.23 -0.18 8.50 1.43 -1.26 -4.33 118.68 125.32 3h03 s LEU 12 Ca -0.08 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3h03 s LEU 12 Cb -0.05 -2.55 0.09 0.00 0.03 0.00 0.00 46.19 43.71 3h03 s LEU 12 CO -0.00 -2.11 0.30 -0.70 0.23 0.00 0.00 176.35 174.07 3h03 s GLU 13 N 6.36 0.23 0.32 1.70 2.56 -0.93 -4.98 118.70 123.96 3h03 s GLU 13 Ca 0.52 0.62 -0.28 0.00 0.00 0.00 0.00 54.97 55.83 3h03 s GLU 13 Cb -0.10 -0.35 -0.09 0.00 2.00 0.00 0.00 34.13 35.59 3h03 s GLU 13 CO 0.16 -0.45 1.09 -1.12 -0.56 0.00 0.00 175.26 174.38 3h03 s SER 14 N 2.46 7.10 -0.19 -1.70 0.01 -1.26 -0.30 113.70 119.81 3h03 s SER 14 Ca 0.05 2.21 0.11 0.00 1.31 0.00 0.00 55.95 59.63 3h03 s SER 14 Cb -0.14 -2.62 0.66 0.00 0.21 0.00 0.00 66.02 64.13 3h03 s SER 14 CO -0.12 -0.26 1.50 -0.81 0.41 0.00 0.00 173.24 173.97 3h03 n PRO 15 N 0.80 4.10 0.07 12.44 -0.04 -1.26 -4.93 135.00 146.18 3h03 n PRO 15 Ca 0.01 -2.52 -0.12 0.00 -0.04 0.00 0.00 63.50 60.82 3h03 n PRO 15 Cb 0.46 -2.12 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 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 3.16 -0.21 -3.14 0.54 0.05 -0.99 0.95 116.97 117.34 3h03 h TYR 16 Ca 0.01 -0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.49 3h03 h TYR 16 Cb 1.70 0.07 -0.36 0.00 1.01 0.00 0.00 36.73 39.15 3h03 h TYR 16 CO 0.89 0.20 -0.65 0.08 -1.05 0.00 0.00 178.16 177.63 3h03 s VAL 17 N -4.13 -0.22 0.06 -2.88 1.01 -0.56 -0.81 120.40 112.87 3h03 s VAL 17 Ca -0.14 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3h03 s VAL 17 Cb 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 3h03 s VAL 17 CO 0.56 0.14 -0.06 -0.04 0.00 0.00 0.00 175.10 175.71 3h03 s MET 18 N 2.14 0.61 0.15 2.72 -1.94 0.45 -2.19 119.30 121.25 3h03 s MET 18 Ca 0.02 -1.02 -0.30 0.00 -1.71 0.00 0.00 55.69 52.68 3h03 s MET 18 Cb -0.12 -0.10 -0.07 0.00 2.01 0.00 0.00 34.83 36.56 3h03 s MET 18 CO -0.05 -0.02 0.99 -1.64 -0.01 0.00 0.00 175.02 174.28 3h03 s MET 19 N -2.77 4.71 0.56 2.03 -1.94 -1.26 -1.16 119.30 119.47 3h03 s MET 19 Ca -0.00 1.52 -0.19 0.00 -1.71 0.00 0.00 55.69 55.30 3h03 s MET 19 Cb -0.01 -3.33 -0.05 0.00 2.01 0.00 0.00 34.83 33.44 3h03 s MET 19 CO -0.04 0.25 1.17 0.15 -0.01 0.00 0.00 175.02 176.54 3h03 s LYS 20 N -0.33 3.18 0.39 2.03 1.02 -0.28 -4.87 119.74 120.88 3h03 s LYS 20 Ca 0.46 1.72 0.08 0.00 0.02 0.00 0.00 55.97 58.26 3h03 s LYS 20 Cb -0.25 -1.98 0.84 0.00 -0.52 0.00 0.00 37.83 35.92 3h03 s LYS 20 CO 0.31 -1.01 1.97 0.87 -0.92 0.00 0.00 175.35 176.57 3h03 h LYS 21 N 1.07 0.62 -0.81 1.68 1.57 -1.95 -0.30 116.57 118.45 3h03 h LYS 21 Ca -0.50 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 57.98 3h03 h LYS 21 Cb 1.28 -0.14 -0.15 0.00 0.08 0.00 0.00 32.23 33.30 3h03 h LYS 21 CO 0.56 0.41 0.33 0.27 -0.57 0.00 0.00 179.45 180.45 3h03 n ASN 22 N -4.48 4.57 -0.11 0.86 6.94 -1.26 -4.62 115.26 117.16 3h03 n ASN 22 Ca 0.10 -3.22 0.21 0.00 -0.02 0.00 0.00 54.58 51.65 3h03 n ASN 22 Cb 0.26 -0.75 0.64 0.00 -2.36 0.00 0.00 39.78 37.56 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 2.30 0.16 0.00 -2.53 2.07 -1.32 -0.22 115.15 115.61 3h03 h HIS 23 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 3h03 h HIS 23 Cb 2.37 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 32.30 3h03 h HIS 23 CO 1.30 0.05 0.00 1.05 -3.07 0.00 0.00 177.93 177.26 3h03 h GLU 24 N 0.13 0.00 -0.01 5.12 9.09 -1.84 -0.47 114.58 126.61 3h03 h GLU 24 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 3h03 h GLU 24 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3h03 h GLU 24 CO -0.05 0.00 -0.43 -1.33 0.05 0.00 0.00 179.01 177.25 3h03 n MET 25 N -3.06 0.92 -3.63 1.06 2.81 -0.10 -4.96 117.12 110.17 3h03 n MET 25 Ca -0.02 -0.68 -0.23 0.00 -1.81 0.00 0.00 57.70 54.96 3h03 n MET 25 Cb 0.16 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.18 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 -2.55 3.02 0.12 4.03 1.43 -0.18 -5.15 118.68 119.39 3h03 s LEU 26 Ca 0.20 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 3h03 s LEU 26 Cb 0.18 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.84 3h03 s LEU 26 CO 0.58 -0.98 0.31 -1.83 0.23 0.00 0.00 176.35 174.66 3h03 s GLU 27 N -4.29 1.01 4.37 1.70 -1.05 -1.26 -4.88 118.70 114.30 3h03 s GLU 27 Ca 0.44 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 3h03 s GLU 27 Cb -0.03 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 3h03 s GLU 27 CO 0.27 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.52 3h03 n GLY 28 N -0.16 1.32 0.27 -3.83 0.00 -1.26 -2.97 105.19 98.56 3h03 n GLY 28 Ca -0.14 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 9.13 0.00 0.32 1.61 2.35 -1.93 -2.78 115.58 124.28 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 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3h03 h ASN 29 CO 0.00 0.02 0.00 -0.62 -1.65 0.00 0.00 177.43 175.18 3h03 n GLU 30 N -4.19 0.03 0.21 0.81 4.71 -1.16 -2.37 120.64 118.68 3h03 n GLU 30 Ca -0.03 0.30 0.08 0.00 -0.01 0.00 0.00 57.16 57.50 3h03 n GLU 30 Cb 0.11 -1.50 0.40 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 -6.19 3.49 3.08 -1.62 -3.46 114.38 109.68 3h03 h ARG 31 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 3h03 h ARG 31 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3h03 h ARG 31 CO 0.00 0.28 -0.51 0.71 -1.07 0.00 0.00 179.97 179.39 3h03 s TYR 32 N -3.61 3.19 0.11 3.04 2.02 -1.00 -1.12 117.35 119.98 3h03 s TYR 32 Ca 0.01 -0.08 -0.19 0.00 -0.37 0.00 0.00 57.07 56.43 3h03 s TYR 32 Cb 0.10 -1.45 0.05 0.00 -0.40 0.00 0.00 41.96 40.26 3h03 s TYR 32 CO 0.66 0.50 0.46 -1.83 -1.57 0.00 0.00 175.55 173.78 3h03 s GLU 33 N -3.82 1.09 0.00 -0.62 -1.05 -0.31 -4.82 118.70 109.18 3h03 s GLU 33 Ca 0.33 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 3h03 s GLU 33 Cb -0.08 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 3h03 s GLU 33 CO 0.26 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.45 3h03 n GLY 34 N -0.09 1.66 0.23 -3.83 0.00 -1.26 -0.41 105.19 101.49 3h03 n GLY 34 Ca -0.17 -1.92 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.45 0.00 1.61 5.03 -0.48 -1.44 116.97 121.24 3h03 h TYR 35 Ca 0.00 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.31 3h03 h TYR 35 Cb 0.00 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 3h03 h TYR 35 CO 0.00 -0.25 -0.18 0.00 -1.32 0.00 0.00 178.16 176.41 3h03 h VAL 37 N 0.00 1.28 -0.34 0.00 2.07 -1.42 0.74 116.25 118.57 3h03 h VAL 37 Ca -0.00 -1.82 -0.14 0.00 0.82 0.00 0.00 66.70 65.55 3h03 h VAL 37 Cb 0.71 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3h03 h VAL 37 CO 0.02 0.59 -0.37 0.44 0.02 0.00 0.00 177.57 178.27 3h03 h ASP 38 N 0.62 0.83 -0.39 0.57 3.32 -0.91 -2.73 116.42 117.73 3h03 h ASP 38 Ca -0.01 -0.37 -0.11 0.00 0.02 0.00 0.00 57.03 56.56 3h03 h ASP 38 Cb 1.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 3h03 h ASP 38 CO 0.14 1.11 -0.18 0.25 -1.72 0.00 0.00 179.24 178.84 3h03 h LEU 39 N 0.65 0.88 -0.74 1.55 5.85 -0.94 -2.52 115.31 120.04 3h03 h LEU 39 Ca 0.06 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3h03 h LEU 39 Cb 0.92 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3h03 h LEU 39 CO 0.08 1.04 0.45 0.00 -0.34 0.00 0.00 178.44 179.67 3h03 h ALA 40 N 1.03 0.94 -0.47 1.25 0.00 -0.74 -0.13 119.26 121.15 3h03 h ALA 40 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h03 h ALA 40 Cb 0.71 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3h03 h ALA 40 CO 0.05 0.41 0.26 0.00 0.00 0.00 0.00 179.25 179.98 3h03 h ALA 41 N 1.24 0.60 -0.15 0.00 0.00 -1.29 -0.60 119.26 119.06 3h03 h ALA 41 Ca 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h03 h ALA 41 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3h03 h ALA 41 CO -0.05 0.12 0.08 0.93 0.00 0.00 0.00 179.25 180.32 3h03 h GLU 42 N 0.62 0.21 -0.02 0.00 4.39 -1.02 -1.25 114.58 117.52 3h03 h GLU 42 Ca 0.17 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3h03 h GLU 42 Cb 0.04 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3h03 h GLU 42 CO -0.03 0.25 0.01 0.82 -1.16 0.00 0.00 179.01 178.90 3h03 h ILE 43 N 0.13 1.00 -0.90 3.13 1.08 -0.87 -1.87 117.51 119.20 3h03 h ILE 43 Ca 0.05 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.59 3h03 h ILE 43 Cb 0.10 0.98 -0.07 0.00 -3.07 0.00 0.00 36.82 34.77 3h03 h ILE 43 CO -0.01 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 178.02 3h03 h ALA 44 N 1.01 1.26 -0.22 1.87 0.00 -1.03 0.36 119.26 122.51 3h03 h ALA 44 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h03 h ALA 44 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3h03 h ALA 44 CO -0.01 0.30 0.10 -0.22 0.00 0.00 0.00 179.25 179.43 3h03 h LYS 45 N 1.01 0.32 0.00 0.00 1.63 -0.91 0.15 116.57 118.76 3h03 h LYS 45 Ca 0.40 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.14 3h03 h LYS 45 Cb 0.21 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3h03 h LYS 45 CO -0.19 0.34 -0.07 0.45 -3.45 0.00 0.00 179.45 176.53 3h03 h HIS 46 N 0.23 0.00 0.00 1.91 3.86 -0.95 -3.11 115.15 117.09 3h03 h HIS 46 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3h03 h HIS 46 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3h03 h HIS 46 CO -0.02 0.07 -0.92 0.00 0.86 0.00 0.00 177.93 177.93 3h03 n GLY 48 N 1.47 0.01 3.07 0.00 0.00 0.44 -5.05 105.19 105.12 3h03 n GLY 48 Ca 0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.19 0.40 0.17 1.61 -0.12 -0.78 -5.05 117.98 111.02 3h03 s PHE 49 Ca 0.02 -0.84 -0.06 0.00 -0.05 0.00 0.00 56.93 56.00 3h03 s PHE 49 Cb -0.00 -0.29 -0.06 0.00 -0.63 0.00 0.00 43.02 42.03 3h03 s PHE 49 CO 0.38 -0.33 0.44 0.15 -0.05 0.00 0.00 175.22 175.80 3h03 s LYS 50 N -3.08 3.68 0.16 1.99 1.02 -1.26 -4.66 119.74 117.60 3h03 s LYS 50 Ca -0.01 0.04 -0.07 0.00 0.02 0.00 0.00 55.97 55.95 3h03 s LYS 50 Cb 0.02 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.53 3h03 s LYS 50 CO -0.07 0.42 0.24 1.52 -0.92 0.00 0.00 175.35 176.54 3h03 s TYR 51 N -1.71 0.53 -0.10 3.18 1.13 -1.26 -0.71 117.35 118.41 3h03 s TYR 51 Ca 0.43 -0.89 -0.01 0.00 -1.41 0.00 0.00 57.07 55.20 3h03 s TYR 51 Cb -0.12 -0.15 0.03 0.00 -1.10 0.00 0.00 41.96 40.61 3h03 s TYR 51 CO 0.23 -0.69 -0.05 0.21 -2.51 0.00 0.00 175.55 172.74 3h03 s LYS 52 N -4.00 1.20 0.03 -3.49 2.20 -0.29 -4.89 119.74 110.50 3h03 s LYS 52 Ca 0.20 -0.13 -0.29 0.00 -0.36 0.00 0.00 55.97 55.40 3h03 s LYS 52 Cb 0.04 -1.36 -0.04 0.00 -1.51 0.00 0.00 37.83 34.96 3h03 s LYS 52 CO 0.02 -0.27 0.92 -0.51 -0.36 0.00 0.00 175.35 175.14 3h03 s LEU 53 N 1.78 4.41 0.03 5.43 1.43 -1.26 -1.31 118.68 129.18 3h03 s LEU 53 Ca 0.05 1.62 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 3h03 s LEU 53 Cb -0.12 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 3h03 s LEU 53 CO -0.07 -0.16 -0.09 0.42 0.23 0.00 0.00 176.35 176.68 3h03 s THR 54 N 0.59 0.65 -0.17 5.49 -4.23 -0.18 -4.85 115.64 112.94 3h03 s THR 54 Ca 0.48 -0.79 -0.19 0.00 -1.18 0.00 0.00 61.69 60.01 3h03 s THR 54 Cb -0.21 -0.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 3h03 s THR 54 CO 0.27 -0.12 0.53 -0.63 -0.54 0.00 0.00 174.62 174.12 3h03 s ILE 55 N -0.84 5.12 0.06 2.99 -1.09 -1.26 -1.28 121.20 124.89 3h03 s ILE 55 Ca -0.03 1.00 -0.37 0.00 -2.23 0.00 0.00 60.65 59.02 3h03 s ILE 55 Cb -0.07 -3.86 -0.19 0.00 -1.58 0.00 0.00 42.46 36.77 3h03 s ILE 55 CO 0.00 0.21 1.04 0.55 -1.23 0.00 0.00 174.94 175.52 3h03 n VAL 56 N 4.29 0.40 -0.27 2.92 3.14 0.16 -4.85 118.33 124.12 3h03 n VAL 56 Ca -0.05 -0.10 0.06 0.00 -2.96 0.00 0.00 64.34 61.30 3h03 n VAL 56 Cb 0.51 -0.22 0.21 0.00 -1.06 0.00 0.00 33.84 33.27 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 2.98 1.24 -2.22 7.55 0.00 -1.92 -2.55 103.07 108.15 3h03 h GLY 57 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3h03 h GLY 57 CO 0.66 -0.09 0.00 2.09 0.00 0.00 0.00 176.54 179.20 3h03 n ASP 58 N -4.97 3.35 -2.34 0.19 5.68 -1.26 -4.97 116.55 112.23 3h03 n ASP 58 Ca 0.16 -1.99 -0.19 0.00 -0.50 0.00 0.00 54.79 52.26 3h03 n ASP 58 Cb 0.44 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 1.48 -0.41 3.45 6.12 0.00 -0.96 -4.95 105.19 109.91 3h03 n GLY 59 Ca 0.18 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.15 1.60 -0.13 1.61 1.02 -1.26 -5.02 119.74 112.41 3h03 s LYS 60 Ca 0.09 -1.76 -0.15 0.00 0.02 0.00 0.00 55.97 54.17 3h03 s LYS 60 Cb -0.04 -1.51 -0.13 0.00 -0.52 0.00 0.00 37.83 35.63 3h03 s LYS 60 CO 0.11 0.22 0.33 1.88 -0.92 0.00 0.00 175.35 176.97 3h03 h TYR 61 N 2.29 0.00 0.00 3.18 -1.99 -1.92 -2.03 116.97 116.50 3h03 h TYR 61 Ca -0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.33 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 0.53 0.00 0.41 -0.00 0.00 0.00 178.16 179.87 3h03 n GLY 62 N 1.67 1.39 3.05 3.88 0.00 -1.26 -1.55 105.19 112.37 3h03 n GLY 62 Ca -0.07 0.35 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 0.04 -0.21 4.61 0.00 -1.25 -4.93 121.76 120.01 3h03 s ALA 63 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 3h03 s ALA 63 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3h03 s ALA 63 CO 0.00 -0.23 0.09 0.50 0.00 0.00 0.00 175.76 176.12 3h03 s ARG 64 N -2.02 3.92 0.07 0.00 3.52 -1.26 -1.60 118.95 121.58 3h03 s ARG 64 Ca -0.10 -0.36 -0.31 0.00 -0.13 0.00 0.00 55.73 54.83 3h03 s ARG 64 Cb -0.05 -3.33 -0.08 0.00 -1.56 0.00 0.00 34.95 29.93 3h03 s ARG 64 CO -0.02 0.10 1.60 0.34 -0.81 0.00 0.00 175.30 176.50 3h03 s ASP 65 N 0.88 6.64 0.61 -2.12 2.15 -0.46 -4.87 116.67 119.50 3h03 s ASP 65 Ca 0.05 2.45 0.34 0.00 0.43 0.00 0.00 52.55 55.82 3h03 s ASP 65 Cb -0.13 -2.57 1.97 0.00 -0.30 0.00 0.00 42.92 41.89 3h03 s ASP 65 CO 0.03 -0.85 2.27 0.00 -0.17 0.00 0.00 175.17 176.45 3h03 h ALA 66 N 8.03 1.33 0.00 3.66 0.00 -1.97 0.13 119.26 130.45 3h03 h ALA 66 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3h03 h ALA 66 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3h03 h ALA 66 CO 0.92 0.01 -0.24 -0.44 0.00 0.00 0.00 179.25 179.51 3h03 h ASP 67 N 0.00 0.00 1.20 0.00 5.19 -1.98 -3.41 116.42 117.42 3h03 h ASP 67 Ca -0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 3h03 h ASP 67 Cb 0.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3h03 h ASP 67 CO 0.00 0.39 -0.36 0.71 -3.12 0.00 0.00 179.24 176.86 3h03 h THR 68 N -0.54 0.72 -0.20 0.35 1.35 -1.98 -3.47 112.91 109.16 3h03 h THR 68 Ca 0.00 -1.66 -0.08 0.00 -0.55 0.00 0.00 66.41 64.12 3h03 h THR 68 Cb 0.24 2.09 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 3h03 h THR 68 CO 0.00 0.35 -0.08 0.29 -0.25 0.00 0.00 175.52 175.84 3h03 n LYS 69 N -3.33 -0.42 -3.39 4.72 4.76 0.46 -5.00 118.16 115.95 3h03 n LYS 69 Ca 0.01 0.55 -0.38 0.00 -2.87 0.00 0.00 58.31 55.62 3h03 n LYS 69 Cb 0.58 -4.20 -0.06 0.00 -1.84 0.00 0.00 35.03 29.51 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 -2.08 4.96 0.04 -0.18 1.01 -1.26 -4.74 121.20 118.94 3h03 s ILE 70 Ca 0.00 0.99 -0.20 0.00 0.00 0.00 0.00 60.65 61.44 3h03 s ILE 70 Cb 0.00 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 3h03 s ILE 70 CO 0.00 0.53 0.57 0.26 0.00 0.00 0.00 174.94 176.30 3h03 s TRP 71 N -0.81 3.75 0.24 3.97 0.52 -1.26 -1.35 118.94 124.00 3h03 s TRP 71 Ca 0.26 1.23 0.02 0.00 0.02 0.00 0.00 56.10 57.63 3h03 s TRP 71 Cb -0.17 -2.54 0.02 0.00 -1.15 0.00 0.00 33.47 29.63 3h03 s TRP 71 CO 0.15 0.49 0.18 0.27 0.02 0.00 0.00 176.95 178.06 3h03 n ASN 72 N 2.16 1.72 0.00 2.95 0.23 -0.63 -4.36 115.26 117.32 3h03 n ASN 72 Ca -0.09 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 3h03 n ASN 72 Cb 0.51 -0.02 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 2.12 0.96 0.31 4.83 0.00 -1.26 -1.69 105.19 110.47 3h03 n GLY 73 Ca -0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 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 1.06 -0.89 1.61 2.86 -0.51 -1.69 114.93 117.38 3h03 h MET 74 Ca 0.00 -0.19 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3h03 h MET 74 Cb 0.00 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.43 3h03 h MET 74 CO 0.00 0.88 0.57 0.28 1.06 0.00 0.00 176.91 179.70 3h03 h VAL 75 N 1.02 1.12 -0.27 -2.22 2.07 -1.54 -1.76 116.25 114.66 3h03 h VAL 75 Ca 0.24 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3h03 h VAL 75 Cb 0.21 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3h03 h VAL 75 CO -0.02 0.20 0.18 1.23 0.02 0.00 0.00 177.57 179.18 3h03 h GLY 76 N 1.09 0.38 1.18 2.17 0.00 -0.66 0.61 103.07 107.84 3h03 h GLY 76 Ca 0.37 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.58 3h03 h GLY 76 CO -0.14 0.14 0.48 0.83 0.00 0.00 0.00 176.54 177.86 3h03 h GLU 77 N 0.36 0.87 0.13 4.80 5.08 -0.69 0.81 114.58 125.94 3h03 h GLU 77 Ca 0.10 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3h03 h GLU 77 Cb -0.03 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3h03 h GLU 77 CO -0.02 0.57 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.43 3h03 h LEU 78 N 0.89 -0.15 -0.77 1.33 3.38 -0.88 0.46 115.31 119.59 3h03 h LEU 78 Ca 0.29 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.97 3h03 h LEU 78 Cb 0.04 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 3h03 h LEU 78 CO -0.08 0.34 0.42 0.58 0.09 0.00 0.00 178.44 179.79 3h03 h VAL 79 N -0.69 0.90 -0.44 1.22 2.07 -0.52 -2.38 116.25 116.42 3h03 h VAL 79 Ca -0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3h03 h VAL 79 Cb 0.51 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3h03 h VAL 79 CO 0.03 0.13 0.00 -1.22 0.02 0.00 0.00 177.57 176.53 3h03 n TYR 80 N -4.78 0.81 -2.10 1.57 4.01 0.25 -4.95 117.16 111.97 3h03 n TYR 80 Ca 0.12 -0.35 -0.08 0.00 -0.16 0.00 0.00 57.90 57.43 3h03 n TYR 80 Cb 0.26 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 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 1.02 0.09 0.07 2.72 0.00 -0.89 -4.95 105.19 103.24 3h03 n GLY 81 Ca 0.16 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.86 0.57 -4.07 1.61 4.76 0.16 -4.95 118.16 114.38 3h03 n LYS 82 Ca -0.10 -0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.26 3h03 n LYS 82 Cb 0.56 -1.69 -0.10 0.00 -1.84 0.00 0.00 35.03 31.95 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 -3.39 0.47 -0.10 7.82 0.00 -1.03 -5.00 121.76 120.53 3h03 s ALA 83 Ca -0.02 -1.08 0.21 0.00 0.00 0.00 0.00 51.96 51.06 3h03 s ALA 83 Cb 0.12 0.23 -0.23 0.00 0.00 0.00 0.00 23.12 23.24 3h03 s ALA 83 CO 0.83 -0.31 0.60 -0.25 0.00 0.00 0.00 175.76 176.63 3h03 n ASP 84 N 0.43 0.28 -3.54 0.00 8.00 0.07 -4.52 116.55 117.27 3h03 n ASP 84 Ca -0.16 0.11 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 3h03 n ASP 84 Cb 0.60 1.36 -0.06 0.00 -0.02 0.00 0.00 41.12 42.99 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 -3.31 0.00 -0.18 0.53 2.07 -1.06 -4.33 121.20 114.92 3h03 s ILE 85 Ca -0.06 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.19 3h03 s ILE 85 Cb 0.12 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.73 3h03 s ILE 85 CO 0.86 0.00 -0.17 0.00 -1.91 0.00 0.00 174.94 173.72 3h03 s ALA 86 N -1.08 2.23 -0.31 1.50 0.00 0.19 -0.81 121.76 123.49 3h03 s ALA 86 Ca -0.08 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.70 3h03 s ALA 86 Cb -0.00 -1.20 0.08 0.00 0.00 0.00 0.00 23.12 21.99 3h03 s ALA 86 CO 0.08 -0.47 -0.02 0.42 0.00 0.00 0.00 175.76 175.77 3h03 s ILE 87 N 1.32 2.33 0.11 0.00 1.01 -1.04 -1.77 121.20 123.16 3h03 s ILE 87 Ca 0.03 -1.96 -0.25 0.00 0.00 0.00 0.00 60.65 58.47 3h03 s ILE 87 Cb -0.14 -2.54 0.08 0.00 0.01 0.00 0.00 42.46 39.88 3h03 s ILE 87 CO -0.11 -0.32 1.10 0.00 0.00 0.00 0.00 174.94 175.61 3h03 s ALA 88 N 1.02 -1.86 -1.21 9.38 0.00 -1.26 -4.59 121.76 123.25 3h03 s ALA 88 Ca 0.01 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 3h03 s ALA 88 Cb -0.20 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 3h03 s ALA 88 CO -0.06 -1.07 2.14 -0.35 0.00 0.00 0.00 175.76 176.42 3h03 n PRO 89 N -0.64 2.39 -3.44 0.00 -0.04 -1.26 -4.68 135.00 127.32 3h03 n PRO 89 Ca -0.04 -2.31 -0.40 0.00 -0.04 0.00 0.00 63.50 60.71 3h03 n PRO 89 Cb 0.60 -3.14 -0.10 0.00 -0.04 0.00 0.00 33.50 30.83 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 1.77 4.33 0.22 1.53 2.96 -1.26 -5.01 118.68 123.22 3h03 s LEU 90 Ca 0.51 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.97 3h03 s LEU 90 Cb 0.14 -2.30 -0.09 0.00 0.50 0.00 0.00 46.19 44.44 3h03 s LEU 90 CO -0.02 -0.26 1.31 -0.89 -1.32 0.00 0.00 176.35 175.17 3h03 s THR 91 N 1.96 3.12 -0.36 3.68 2.01 -1.26 -1.87 115.64 122.92 3h03 s THR 91 Ca 0.11 0.95 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 3h03 s THR 91 Cb -0.16 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.76 3h03 s THR 91 CO 0.11 0.15 1.19 -0.63 -0.69 0.00 0.00 174.62 174.76 3h03 s ILE 92 N -0.07 4.27 0.14 1.82 1.01 -0.76 -4.89 121.20 122.73 3h03 s ILE 92 Ca 0.56 1.41 0.06 0.00 0.00 0.00 0.00 60.65 62.67 3h03 s ILE 92 Cb -0.37 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 3h03 s ILE 92 CO 0.40 -0.62 -0.12 0.42 0.00 0.00 0.00 174.94 175.02 3h03 s THR 93 N 4.21 1.33 0.13 2.92 -4.23 -1.26 -4.80 115.64 113.94 3h03 s THR 93 Ca 0.51 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.89 3h03 s THR 93 Cb -0.13 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 3h03 s THR 93 CO 0.23 -0.57 1.70 0.25 -0.54 0.00 0.00 174.62 175.69 3h03 h LEU 94 N 3.08 -0.21 -1.29 4.79 5.85 -1.98 0.56 115.31 126.11 3h03 h LEU 94 Ca -0.38 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3h03 h LEU 94 Cb 1.20 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3h03 h LEU 94 CO 0.57 -0.08 0.21 -0.37 -0.34 0.00 0.00 178.44 178.44 3h03 h VAL 95 N -0.02 1.18 0.02 1.05 -1.51 -2.00 -2.13 116.25 112.84 3h03 h VAL 95 Ca 0.10 -0.53 -0.26 0.00 -1.23 0.00 0.00 66.70 64.78 3h03 h VAL 95 Cb 0.16 0.57 0.02 0.00 -2.13 0.00 0.00 31.29 29.92 3h03 h VAL 95 CO -0.21 0.21 -1.02 0.03 -1.23 0.00 0.00 177.57 175.35 3h03 h ARG 96 N 0.70 0.67 0.00 5.19 3.08 -1.87 -3.11 114.38 119.03 3h03 h ARG 96 Ca 0.17 -0.74 -0.00 0.00 0.07 0.00 0.00 59.98 59.48 3h03 h ARG 96 Cb 0.11 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3h03 h ARG 96 CO -0.02 1.32 -0.00 1.49 -1.07 0.00 0.00 179.97 181.68 3h03 h GLU 97 N 0.33 0.00 0.00 0.04 4.57 -0.60 0.75 114.58 119.66 3h03 h GLU 97 Ca -0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3h03 h GLU 97 Cb 1.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.28 3h03 h GLU 97 CO 0.20 0.00 0.00 0.93 -1.18 0.00 0.00 179.01 178.96 3h03 h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.32 -3.35 114.58 116.91 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 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3h03 h GLU 98 CO 0.00 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.34 3h03 n VAL 99 N -3.05 0.00 -4.04 3.13 0.24 0.13 -5.06 118.33 109.68 3h03 n VAL 99 Ca 0.02 -0.47 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 3h03 n VAL 99 Cb 0.42 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.71 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 -0.83 0.07 -0.09 1.34 -4.36 -0.46 -4.40 121.20 112.48 3h03 s ILE 100 Ca 0.00 -1.59 -0.04 0.00 -0.26 0.00 0.00 60.65 58.76 3h03 s ILE 100 Cb 0.00 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 3h03 s ILE 100 CO 0.00 -0.34 0.08 -1.81 0.24 0.00 0.00 174.94 173.11 3h03 s ASP 101 N -3.00 5.83 0.08 4.36 1.01 -0.06 -4.30 116.67 120.57 3h03 s ASP 101 Ca 0.21 0.29 0.07 0.00 0.71 0.00 0.00 52.55 53.83 3h03 s ASP 101 Cb 0.05 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 42.17 3h03 s ASP 101 CO 0.01 0.37 -0.14 -0.36 0.21 0.00 0.00 175.17 175.26 3h03 s PHE 102 N -1.00 2.64 0.81 4.23 0.08 -1.26 -1.25 117.98 122.22 3h03 s PHE 102 Ca 0.16 -0.21 -0.10 0.00 0.12 0.00 0.00 56.93 56.91 3h03 s PHE 102 Cb -0.12 -1.43 0.12 0.00 -0.57 0.00 0.00 43.02 41.01 3h03 s PHE 102 CO 0.05 0.36 1.14 -1.54 -0.10 0.00 0.00 175.22 175.12 3h03 s SER 103 N -1.87 4.16 0.63 1.36 1.04 0.05 -4.95 113.70 114.13 3h03 s SER 103 Ca 0.18 0.33 -0.18 0.00 0.48 0.00 0.00 55.95 56.77 3h03 s SER 103 Cb -0.11 -0.73 -0.01 0.00 0.10 0.00 0.00 66.02 65.27 3h03 s SER 103 CO 0.09 -2.05 1.21 -0.54 0.98 0.00 0.00 173.24 172.93 3h03 s LYS 104 N -5.49 2.74 0.39 4.02 -0.14 -1.26 -4.52 119.74 115.48 3h03 s LYS 104 Ca 0.66 1.79 -0.27 0.00 -1.36 0.00 0.00 55.97 56.79 3h03 s LYS 104 Cb -0.08 -1.90 -0.11 0.00 -1.68 0.00 0.00 37.83 34.06 3h03 s LYS 104 CO 0.48 -1.38 1.41 -0.35 -0.76 0.00 0.00 175.35 174.75 3h03 n PRO 105 N -1.93 2.39 0.00 -1.68 -0.04 -1.26 -4.59 135.00 127.88 3h03 n PRO 105 Ca 0.13 0.84 0.11 0.00 -0.04 0.00 0.00 63.50 64.55 3h03 n PRO 105 Cb 0.50 -2.56 -0.01 0.00 -0.04 0.00 0.00 33.50 31.38 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 0.19 0.00 -3.67 0.54 1.16 -0.01 -4.92 117.46 110.76 3h03 n PHE 106 Ca 0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.50 3h03 n PHE 106 Cb 0.39 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.18 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 -2.50 0.64 -0.01 3.97 0.00 -1.24 -4.99 119.30 115.17 3h03 s MET 107 Ca 0.17 0.90 -0.01 0.00 0.00 0.00 0.00 55.69 56.75 3h03 s MET 107 Cb 0.18 0.23 -0.04 0.00 0.00 0.00 0.00 34.83 35.20 3h03 s MET 107 CO 0.59 -0.11 0.10 -1.12 0.00 0.00 0.00 175.02 174.48 3h03 s SER 108 N 0.79 5.86 0.12 1.11 0.01 -1.26 -1.36 113.70 118.97 3h03 s SER 108 Ca -0.04 0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.40 3h03 s SER 108 Cb -0.05 -1.73 0.01 0.00 0.21 0.00 0.00 66.02 64.46 3h03 s SER 108 CO -0.06 0.28 0.21 0.00 0.41 0.00 0.00 173.24 174.08 3h03 n LEU 109 N 1.20 0.00 -3.59 2.44 -0.00 0.65 -4.93 117.00 112.77 3h03 n LEU 109 Ca -0.13 -0.86 0.01 0.00 -0.00 0.00 0.00 56.01 55.03 3h03 n LEU 109 Cb 0.53 1.03 -0.01 0.00 -0.00 0.00 0.00 43.42 44.97 3h03 n LEU 109 CO 0.39 -0.24 1.14 -0.83 -0.00 0.00 0.00 177.39 177.84 3h03 s GLY 110 N -1.67 -0.41 0.30 1.47 0.00 -1.26 -1.48 107.32 104.26 3h03 s GLY 110 Ca 0.07 1.07 -0.29 0.00 0.00 0.00 0.00 44.72 45.56 3h03 s GLY 110 CO 0.05 0.26 1.31 -0.42 0.00 0.00 0.00 173.10 174.30 3h03 s ILE 111 N -2.21 2.85 0.23 0.90 1.01 -1.26 -0.29 121.20 122.42 3h03 s ILE 111 Ca 0.14 0.81 -0.00 0.00 0.00 0.00 0.00 60.65 61.59 3h03 s ILE 111 Cb 0.05 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 3h03 s ILE 111 CO -0.05 0.17 0.19 -0.94 0.00 0.00 0.00 174.94 174.32 3h03 s SER 112 N -0.29 0.42 -0.17 3.58 1.04 0.10 -0.51 113.70 117.87 3h03 s SER 112 Ca 0.51 -1.42 -0.05 0.00 0.48 0.00 0.00 55.95 55.47 3h03 s SER 112 Cb -0.39 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 3h03 s SER 112 CO 0.48 -0.91 -0.00 -0.63 0.98 0.00 0.00 173.24 173.16 3h03 s ILE 113 N -4.00 4.20 -0.16 -1.02 1.01 -1.25 -1.67 121.20 118.32 3h03 s ILE 113 Ca 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 3h03 s ILE 113 Cb 0.05 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3h03 s ILE 113 CO 0.15 0.48 -0.06 -0.32 0.00 0.00 0.00 174.94 175.19 3h03 s MET 114 N 0.39 3.55 0.17 2.79 -2.45 -0.11 -1.65 119.30 122.00 3h03 s MET 114 Ca -0.01 -0.58 0.04 0.00 -1.25 0.00 0.00 55.69 53.89 3h03 s MET 114 Cb -0.14 -2.87 -0.05 0.00 1.25 0.00 0.00 34.83 33.03 3h03 s MET 114 CO 0.02 0.14 -0.07 0.96 1.05 0.00 0.00 175.02 177.12 3h03 s ILE 115 N 0.59 1.14 0.15 10.11 -4.36 -0.63 -1.36 121.20 126.84 3h03 s ILE 115 Ca -0.04 -2.06 -0.28 0.00 -0.26 0.00 0.00 60.65 58.01 3h03 s ILE 115 Cb -0.15 -2.01 -0.07 0.00 1.25 0.00 0.00 42.46 41.49 3h03 s ILE 115 CO 0.03 -0.61 0.89 -0.75 0.24 0.00 0.00 174.94 174.74 3h03 s LYS 116 N -3.78 4.69 0.18 0.37 2.20 -1.26 -0.77 119.74 121.37 3h03 s LYS 116 Ca 0.21 1.35 -0.31 0.00 -0.36 0.00 0.00 55.97 56.85 3h03 s LYS 116 Cb 0.03 -3.33 -0.16 0.00 -1.51 0.00 0.00 37.83 32.86 3h03 s LYS 116 CO 0.03 0.37 0.94 1.63 -0.36 0.00 0.00 175.35 177.96 3h03 n LYS 117 N 2.22 0.73 0.00 4.03 5.02 0.03 -1.93 118.16 128.26 3h03 n LYS 117 Ca -0.01 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3h03 n LYS 117 Cb 0.49 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 1.78 2.54 3.72 0.72 0.00 -1.26 -4.98 105.19 107.71 3h03 n GLY 118 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.62 2.68 -0.30 2.61 2.01 -0.81 -4.88 115.64 114.32 3h03 s THR 119 Ca 0.00 0.49 -0.06 0.00 0.31 0.00 0.00 61.69 62.43 3h03 s THR 119 Cb 0.00 -3.31 -0.19 0.00 0.01 0.00 0.00 72.50 69.01 3h03 s THR 119 CO 0.00 0.04 2.94 -0.81 -0.69 0.00 0.00 174.62 176.10 3h03 n PRO 120 N 3.92 1.94 -4.69 4.92 -0.04 -1.26 -4.82 135.00 134.97 3h03 n PRO 120 Ca 0.13 -1.05 -0.26 0.00 -0.04 0.00 0.00 63.50 62.29 3h03 n PRO 120 Cb 0.39 -2.07 -0.17 0.00 -0.04 0.00 0.00 33.50 31.61 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 1.68 1.27 0.00 0.52 -1.09 -1.26 -5.02 121.20 117.31 3h03 s ILE 121 Ca 0.55 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 3h03 s ILE 121 Cb 0.23 -1.14 0.00 0.00 -1.58 0.00 0.00 42.46 39.97 3h03 s ILE 121 CO -0.01 0.38 0.24 -0.62 -1.23 0.00 0.00 174.94 173.70 3h03 n GLU 122 N 3.67 2.45 -3.68 2.79 1.02 -1.26 -4.94 120.64 120.70 3h03 n GLU 122 Ca -0.22 -0.24 -0.04 0.00 -0.02 0.00 0.00 57.16 56.65 3h03 n GLU 122 Cb 0.52 -0.71 -0.01 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.42 -0.19 0.34 1.62 1.04 -1.26 -2.82 113.70 112.01 3h03 s SER 123 Ca 0.00 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.19 3h03 s SER 123 Cb 0.00 0.40 0.62 0.00 0.10 0.00 0.00 66.02 67.14 3h03 s SER 123 CO 0.00 -0.72 1.97 0.00 0.98 0.00 0.00 173.24 175.47 3h03 h ALA 124 N 2.00 1.49 -0.78 5.32 0.00 -1.92 -1.42 119.26 123.96 3h03 h ALA 124 Ca -0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3h03 h ALA 124 Cb 1.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3h03 h ALA 124 CO 0.27 0.42 0.48 1.49 0.00 0.00 0.00 179.25 181.91 3h03 h GLU 125 N 0.76 1.04 -0.93 0.00 4.81 -1.95 -0.31 114.58 118.01 3h03 h GLU 125 Ca 0.19 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3h03 h GLU 125 Cb 0.03 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 3h03 h GLU 125 CO -0.03 0.72 0.61 -0.44 -0.73 0.00 0.00 179.01 179.14 3h03 h ASP 126 N 1.06 1.07 -0.68 1.04 3.32 -1.66 -1.87 116.42 118.69 3h03 h ASP 126 Ca 0.28 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3h03 h ASP 126 Cb -0.06 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 3h03 h ASP 126 CO -0.06 0.78 0.13 -0.07 -1.72 0.00 0.00 179.24 178.30 3h03 h LEU 127 N 1.26 1.06 -1.47 1.55 3.38 -0.87 -2.85 115.31 117.37 3h03 h LEU 127 Ca 0.34 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3h03 h LEU 127 Cb -0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.33 3h03 h LEU 127 CO -0.07 1.04 -0.09 0.77 0.09 0.00 0.00 178.44 180.17 3h03 h SER 128 N 1.03 0.00 0.22 -0.43 4.64 -0.43 -3.09 113.55 115.50 3h03 h SER 128 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3h03 h SER 128 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3h03 h SER 128 CO 0.01 0.09 -0.62 0.29 -0.87 0.00 0.00 176.83 175.73 3h03 n LYS 129 N -3.26 0.30 -4.60 4.77 5.02 -0.76 -4.92 118.16 114.71 3h03 n LYS 129 Ca -0.00 -0.22 -0.31 0.00 -2.02 0.00 0.00 58.31 55.77 3h03 n LYS 129 Cb 0.33 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.85 2.15 0.00 1.97 1.03 -1.14 -5.09 119.66 115.73 3h03 s GLN 130 Ca 0.13 -2.27 0.00 0.00 0.04 0.00 0.00 55.36 53.26 3h03 s GLN 130 Cb 0.17 -1.64 0.00 0.00 0.03 0.00 0.00 33.01 31.57 3h03 s GLN 130 CO 0.71 -0.31 0.00 0.25 -2.54 0.00 0.00 175.29 173.40 3h03 n THR 131 N -1.25 0.00 0.27 3.63 -2.24 -1.26 -4.85 114.28 108.57 3h03 n THR 131 Ca -0.13 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.78 3h03 n THR 131 Cb 0.67 -0.28 0.67 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.00 -4.62 -0.78 4.11 -1.97 -3.37 114.58 107.94 3h03 h GLU 132 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.73 3h03 h GLU 132 Cb 0.40 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.39 3h03 h GLU 132 CO 0.00 0.00 -0.55 0.42 0.07 0.00 0.00 179.01 178.95 3h03 s ILE 133 N -3.58 4.28 0.69 -1.06 1.01 -1.26 -4.85 121.20 116.42 3h03 s ILE 133 Ca -0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 3h03 s ILE 133 Cb 0.08 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.16 3h03 s ILE 133 CO 0.32 -0.21 1.07 0.00 0.00 0.00 0.00 174.94 176.11 3h03 s ALA 134 N 1.50 2.80 -0.09 9.38 0.00 -0.03 -4.87 121.76 130.45 3h03 s ALA 134 Ca 0.01 -0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 3h03 s ALA 134 Cb -0.19 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 19.89 3h03 s ALA 134 CO 0.05 -1.11 0.55 1.52 0.00 0.00 0.00 175.76 176.78 3h03 s TYR 135 N -3.19 -0.53 0.15 0.00 1.13 -1.26 -0.41 117.35 113.26 3h03 s TYR 135 Ca 0.57 1.03 -0.04 0.00 -1.41 0.00 0.00 57.07 57.22 3h03 s TYR 135 Cb -0.12 0.27 0.02 0.00 -1.10 0.00 0.00 41.96 41.02 3h03 s TYR 135 CO 0.54 -0.46 0.27 0.41 -2.51 0.00 0.00 175.55 173.80 3h03 n GLY 136 N 1.55 2.03 1.57 5.49 0.00 -0.93 -4.81 105.19 110.10 3h03 n GLY 136 Ca -0.18 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.22 0.00 -1.92 2.61 -2.24 -1.25 -0.92 114.28 110.33 3h03 n THR 137 Ca -0.02 -1.19 -0.36 0.00 -2.27 0.00 0.00 64.05 60.21 3h03 n THR 137 Cb 0.24 0.58 0.04 0.00 -2.10 0.00 0.00 70.33 69.10 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 3.62 0.00 3.22 1.43 -1.26 -1.83 118.68 123.85 3h03 s LEU 138 Ca 0.19 2.40 0.14 0.00 -1.03 0.00 0.00 54.13 55.83 3h03 s LEU 138 Cb 0.01 -4.60 0.61 0.00 0.03 0.00 0.00 46.19 42.24 3h03 s LEU 138 CO 0.13 -1.70 1.43 -0.90 0.23 0.00 0.00 176.35 175.54 3h03 n ASP 139 N -1.75 0.00 -3.59 2.29 3.85 0.74 -4.59 116.55 113.49 3h03 n ASP 139 Ca 0.14 0.42 -0.15 0.00 -0.71 0.00 0.00 54.79 54.49 3h03 n ASP 139 Cb 0.50 -0.46 -0.06 0.00 -1.35 0.00 0.00 41.12 39.75 3h03 n ASP 139 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3h03 s SER 140 N -2.92 -0.45 0.00 -1.12 1.04 -1.26 -5.05 113.70 103.94 3h03 s SER 140 Ca 0.08 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.80 3h03 s SER 140 Cb 0.09 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3h03 s SER 140 CO 0.24 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3h03 n GLY 141 N 0.66 0.85 0.35 7.32 0.00 -1.26 -4.81 105.19 108.29 3h03 n GLY 141 Ca -0.19 -2.23 -0.03 0.00 0.00 0.00 0.00 46.02 43.57 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 1.02 -0.46 1.61 4.64 -1.98 -1.65 113.55 116.74 3h03 h SER 142 Ca 0.00 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 3h03 h SER 142 Cb 0.00 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 3h03 h SER 142 CO 0.00 0.82 0.17 0.74 -0.87 0.00 0.00 176.83 177.69 3h03 h THR 143 N 1.14 1.21 -0.45 2.95 2.02 -1.95 0.23 112.91 118.06 3h03 h THR 143 Ca 0.29 -0.67 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 3h03 h THR 143 Cb 0.04 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3h03 h THR 143 CO -0.04 0.25 -0.05 0.50 0.37 0.00 0.00 175.52 176.54 3h03 h LYS 144 N 0.60 0.83 -0.24 6.66 3.64 -1.78 -2.80 116.57 123.46 3h03 h LYS 144 Ca 0.15 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 3h03 h LYS 144 Cb 0.22 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3h03 h LYS 144 CO -0.01 0.91 -0.06 0.93 -2.27 0.00 0.00 179.45 178.95 3h03 h GLU 145 N 0.66 0.38 -0.24 1.90 4.39 -1.02 -1.65 114.58 119.00 3h03 h GLU 145 Ca 0.12 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.77 3h03 h GLU 145 Cb 0.57 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 3h03 h GLU 145 CO 0.03 0.45 0.05 0.35 -1.16 0.00 0.00 179.01 178.73 3h03 h PHE 146 N 0.36 0.08 -0.29 4.33 3.57 -0.29 -1.84 116.94 122.85 3h03 h PHE 146 Ca 0.08 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 3h03 h PHE 146 Cb 0.34 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 3h03 h PHE 146 CO 0.01 0.02 -0.46 0.74 -2.23 0.00 0.00 178.31 176.39 3h03 h PHE 147 N 0.14 1.03 -0.93 0.41 -1.00 -1.39 -2.69 116.94 112.50 3h03 h PHE 147 Ca 0.11 -0.35 0.04 0.00 2.81 0.00 0.00 57.97 60.58 3h03 h PHE 147 Cb 0.11 -0.20 -0.06 0.00 3.61 0.00 0.00 35.95 39.41 3h03 h PHE 147 CO -0.16 1.16 0.61 -0.09 -1.61 0.00 0.00 178.31 178.22 3h03 h ARG 148 N 0.60 1.11 -0.18 1.51 2.43 -1.08 -2.82 114.38 115.96 3h03 h ARG 148 Ca 0.03 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3h03 h ARG 148 Cb 1.06 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3h03 h ARG 148 CO 0.11 0.73 0.00 2.89 -1.51 0.00 0.00 179.97 182.19 3h03 n ARG 149 N -4.45 2.23 -2.24 0.20 1.85 -0.71 -4.99 116.66 108.55 3h03 n ARG 149 Ca 0.13 -1.83 -0.40 0.00 -1.00 0.00 0.00 57.85 54.76 3h03 n ARG 149 Cb 0.12 -1.47 -0.02 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.76 6.71 0.00 2.89 0.15 -1.02 -4.92 113.70 115.76 3h03 s SER 150 Ca 0.34 2.48 0.16 0.00 0.70 0.00 0.00 55.95 59.63 3h03 s SER 150 Cb 0.21 -2.63 0.08 0.00 -1.71 0.00 0.00 66.02 61.97 3h03 s SER 150 CO 0.31 -0.55 0.96 0.29 1.20 0.00 0.00 173.24 175.44 3h03 n LYS 151 N 0.52 1.44 -2.62 5.44 5.02 -1.26 -4.60 118.16 122.10 3h03 n LYS 151 Ca 0.02 -1.25 -0.42 0.00 -2.02 0.00 0.00 58.31 54.64 3h03 n LYS 151 Cb 0.44 -1.30 -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 -1.54 4.46 0.17 -0.18 -1.09 -1.26 -4.93 121.20 116.83 3h03 s ILE 152 Ca 0.17 1.87 -0.23 0.00 -2.23 0.00 0.00 60.65 60.23 3h03 s ILE 152 Cb 0.13 -4.20 0.07 0.00 -1.58 0.00 0.00 42.46 36.89 3h03 s ILE 152 CO 0.27 0.20 1.58 0.00 -1.23 0.00 0.00 174.94 175.77 3h03 h ALA 153 N 6.29 -0.20 -0.49 9.38 0.00 -1.98 0.17 119.26 132.42 3h03 h ALA 153 Ca -0.42 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3h03 h ALA 153 Cb 1.22 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 3h03 h ALA 153 CO 0.75 -0.75 0.28 0.28 0.00 0.00 0.00 179.25 179.81 3h03 h VAL 154 N -0.23 1.03 -0.00 0.00 2.07 -1.99 -1.26 116.25 115.87 3h03 h VAL 154 Ca 0.19 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 3h03 h VAL 154 Cb 0.56 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3h03 h VAL 154 CO -0.63 0.10 -0.68 -0.26 0.02 0.00 0.00 177.57 176.12 3h03 h PHE 155 N 0.56 0.01 -0.49 1.57 0.04 -1.83 -2.10 116.94 114.70 3h03 h PHE 155 Ca 0.20 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.91 3h03 h PHE 155 Cb 0.04 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3h03 h PHE 155 CO -0.07 0.69 0.11 0.22 -0.60 0.00 0.00 178.31 178.65 3h03 h ASP 156 N 0.01 0.75 -0.70 2.17 3.58 -0.32 0.46 116.42 122.36 3h03 h ASP 156 Ca -0.01 -0.24 -0.06 0.00 0.42 0.00 0.00 57.03 57.14 3h03 h ASP 156 Cb 1.21 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 3h03 h ASP 156 CO 0.09 0.80 0.19 0.50 -2.88 0.00 0.00 179.24 177.93 3h03 h LYS 157 N 0.67 1.11 -0.45 0.28 3.64 -1.12 -0.93 116.57 119.76 3h03 h LYS 157 Ca 0.15 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3h03 h LYS 157 Cb 0.35 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3h03 h LYS 157 CO 0.00 0.97 -0.09 0.52 -2.27 0.00 0.00 179.45 178.58 3h03 h MET 158 N 1.04 0.86 -0.49 1.90 2.86 -1.06 -2.52 114.93 117.52 3h03 h MET 158 Ca 0.22 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3h03 h MET 158 Cb 0.35 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3h03 h MET 158 CO -0.00 0.96 0.11 2.35 1.06 0.00 0.00 176.91 181.39 3h03 h TRP 159 N 0.70 0.83 -0.97 -0.22 -0.00 -0.67 -0.12 115.95 115.50 3h03 h TRP 159 Ca 0.12 -0.10 0.07 0.00 -0.00 0.00 0.00 58.89 58.98 3h03 h TRP 159 Cb 0.63 -0.23 -0.07 0.00 -0.00 0.00 0.00 29.16 29.49 3h03 h TRP 159 CO 0.05 0.75 0.62 1.15 -0.00 0.00 0.00 178.44 181.00 3h03 h THR 160 N 0.67 1.06 0.27 2.65 2.02 -1.11 0.13 112.91 118.60 3h03 h THR 160 Ca 0.15 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3h03 h THR 160 Cb 0.34 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3h03 h THR 160 CO 0.00 0.20 -0.13 0.22 0.37 0.00 0.00 175.52 176.18 3h03 h TYR 161 N 1.11 -0.34 -0.67 3.16 3.20 -1.07 -3.29 116.97 119.06 3h03 h TYR 161 Ca 0.43 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.33 3h03 h TYR 161 Cb 0.20 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 3h03 h TYR 161 CO -0.01 0.02 0.40 0.52 -1.64 0.00 0.00 178.16 177.44 3h03 h MET 162 N -0.80 0.73 -0.43 1.82 2.86 -0.72 -0.54 114.93 117.86 3h03 h MET 162 Ca -0.04 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 3h03 h MET 162 Cb 0.51 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3h03 h MET 162 CO 0.06 0.49 0.29 0.07 1.06 0.00 0.00 176.91 178.88 3h03 h ARG 163 N 0.76 0.29 -0.16 1.72 0.11 -1.08 -3.00 114.38 113.02 3h03 h ARG 163 Ca 0.28 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.35 3h03 h ARG 163 Cb 0.10 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.11 3h03 h ARG 163 CO -0.14 0.19 0.00 0.43 0.10 0.00 0.00 179.97 180.55 3h03 n SER 164 N -4.47 2.34 -4.75 0.08 7.64 -1.01 -5.05 113.62 108.40 3h03 n SER 164 Ca 0.06 -1.90 -0.36 0.00 1.01 0.00 0.00 58.87 57.68 3h03 n SER 164 Cb 0.28 -0.10 0.04 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.93 2.54 -0.08 -0.43 0.00 -0.24 -5.04 121.76 117.58 3h03 s ALA 165 Ca 0.11 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 3h03 s ALA 165 Cb 0.06 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.74 3h03 s ALA 165 CO 0.08 -1.25 0.18 -1.21 0.00 0.00 0.00 175.76 173.55 3h03 s GLU 166 N -3.28 0.12 1.08 0.00 0.41 -1.26 -3.79 118.70 111.97 3h03 s GLU 166 Ca 0.78 0.44 -0.12 0.00 -0.41 0.00 0.00 54.97 55.66 3h03 s GLU 166 Cb -0.33 -0.17 0.24 0.00 -1.78 0.00 0.00 34.13 32.09 3h03 s GLU 166 CO 0.36 -0.18 1.07 -2.14 -0.49 0.00 0.00 175.26 173.88 3h03 s PRO 167 N 1.29 -0.25 0.26 0.39 0.02 -1.26 -5.06 135.00 130.39 3h03 s PRO 167 Ca -0.08 1.09 -0.30 0.00 0.02 0.00 0.00 61.00 61.72 3h03 s PRO 167 Cb -0.11 -1.61 -0.14 0.00 0.02 0.00 0.00 34.50 32.66 3h03 s PRO 167 CO -0.07 -3.34 1.27 0.45 -0.33 0.00 0.00 177.00 174.98 3h03 n SER 168 N -4.68 2.25 -0.76 2.53 2.88 -1.25 -4.89 113.62 109.70 3h03 n SER 168 Ca 0.06 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.89 3h03 n SER 168 Cb 0.53 -1.38 0.28 0.00 -0.75 0.00 0.00 64.21 62.90 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 1.24 0.00 -3.21 2.46 0.24 -1.26 -4.94 118.33 112.86 3h03 n VAL 169 Ca 0.11 -0.40 -0.31 0.00 -2.04 0.00 0.00 64.34 61.70 3h03 n VAL 169 Cb 0.31 1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 33.72 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 -2.00 3.42 0.19 6.34 0.40 -1.26 -3.85 117.98 121.22 3h03 s PHE 170 Ca 0.32 0.99 0.06 0.00 -0.60 0.00 0.00 56.93 57.70 3h03 s PHE 170 Cb 0.20 -2.36 -0.05 0.00 0.51 0.00 0.00 43.02 41.32 3h03 s PHE 170 CO 0.32 0.13 -0.11 0.14 0.70 0.00 0.00 175.22 176.39 3h03 s VAL 171 N -2.01 1.48 -0.12 -0.44 -7.23 -0.76 -4.88 120.40 106.44 3h03 s VAL 171 Ca 0.50 -2.14 0.17 0.00 -1.81 0.00 0.00 61.98 58.70 3h03 s VAL 171 Cb -0.11 -2.02 -0.18 0.00 0.56 0.00 0.00 36.38 34.63 3h03 s VAL 171 CO 0.23 -0.61 0.65 -1.14 -0.31 0.00 0.00 175.10 173.92 3h03 n ARG 172 N -0.33 0.64 -4.18 4.82 0.63 -1.26 -0.19 116.66 116.78 3h03 n ARG 172 Ca -0.08 0.15 -0.11 0.00 -0.92 0.00 0.00 57.85 56.89 3h03 n ARG 172 Cb 0.61 -1.73 -0.10 0.00 0.45 0.00 0.00 32.46 31.69 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 -2.87 0.33 0.11 5.15 -4.23 -1.26 -4.80 115.64 108.07 3h03 s THR 173 Ca -0.05 -1.93 -0.21 0.00 -1.18 0.00 0.00 61.69 58.32 3h03 s THR 173 Cb 0.09 -2.04 -0.11 0.00 1.34 0.00 0.00 72.50 71.78 3h03 s THR 173 CO 0.83 -0.50 1.75 0.74 -0.54 0.00 0.00 174.62 176.89 3h03 h THR 174 N 2.82 1.01 -0.85 3.99 2.02 -1.99 -1.27 112.91 118.64 3h03 h THR 174 Ca -0.36 -0.04 0.14 0.00 0.77 0.00 0.00 66.41 66.93 3h03 h THR 174 Cb 1.20 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.43 3h03 h THR 174 CO 0.61 0.02 0.55 0.00 0.37 0.00 0.00 175.52 177.07 3h03 h ALA 175 N 1.04 1.91 -0.24 6.16 0.00 -1.99 0.68 119.26 126.83 3h03 h ALA 175 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3h03 h ALA 175 Cb -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h03 h ALA 175 CO -0.02 -0.14 -0.02 1.49 0.00 0.00 0.00 179.25 180.56 3h03 h GLU 176 N 0.61 0.44 -0.63 0.00 4.81 -1.75 -1.38 114.58 116.68 3h03 h GLU 176 Ca 0.42 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3h03 h GLU 176 Cb 0.74 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 3h03 h GLU 176 CO -0.18 0.64 0.02 0.78 -0.73 0.00 0.00 179.01 179.55 3h03 h GLY 177 N 0.19 1.17 0.84 1.92 0.00 0.05 -1.94 103.07 105.31 3h03 h GLY 177 Ca 0.06 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.50 3h03 h GLY 177 CO 0.02 0.78 -0.05 -2.08 0.00 0.00 0.00 176.54 175.20 3h03 h VAL 178 N 1.00 1.28 -0.82 4.60 2.07 -0.92 -2.29 116.25 121.16 3h03 h VAL 178 Ca 0.18 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3h03 h VAL 178 Cb 0.53 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3h03 h VAL 178 CO 0.03 0.32 0.50 0.00 0.02 0.00 0.00 177.57 178.44 3h03 h ALA 179 N 0.76 1.32 -0.70 1.67 0.00 -1.20 -1.19 119.26 119.92 3h03 h ALA 179 Ca 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3h03 h ALA 179 Cb 0.51 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3h03 h ALA 179 CO 0.02 0.58 0.15 -0.09 0.00 0.00 0.00 179.25 179.91 3h03 h ARG 180 N 1.14 1.14 -0.56 0.00 2.43 -1.21 -0.76 114.38 116.54 3h03 h ARG 180 Ca 0.30 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3h03 h ARG 180 Cb -0.05 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3h03 h ARG 180 CO -0.06 1.01 0.16 0.28 -1.51 0.00 0.00 179.97 179.86 3h03 h VAL 181 N 1.07 1.24 0.00 0.20 2.07 -0.89 -1.68 116.25 118.27 3h03 h VAL 181 Ca 0.22 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3h03 h VAL 181 Cb 0.40 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3h03 h VAL 181 CO 0.01 0.31 -0.11 0.03 0.02 0.00 0.00 177.57 177.83 3h03 h ARG 182 N 0.79 0.00 -0.01 1.57 3.08 -0.81 -3.19 114.38 115.80 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 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3h03 h ARG 182 CO -0.00 0.11 -0.35 0.36 -1.07 0.00 0.00 179.97 179.01 3h03 n LYS 183 N -3.25 1.90 -0.20 0.04 2.85 -0.33 -4.52 118.16 114.65 3h03 n LYS 183 Ca 0.00 -0.63 0.05 0.00 -1.05 0.00 0.00 58.31 56.68 3h03 n LYS 183 Cb 0.37 -1.21 0.15 0.00 -0.65 0.00 0.00 35.03 33.69 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 -0.34 1.95 -3.47 -5.58 7.64 -0.64 -4.92 113.62 108.26 3h03 n SER 184 Ca 0.05 -2.06 -0.25 0.00 1.01 0.00 0.00 58.87 57.63 3h03 n SER 184 Cb 0.29 -0.27 -0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.43 -3.34 -0.69 1.43 5.02 -1.26 -0.42 118.16 119.34 3h03 n LYS 185 Ca 0.11 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3h03 n LYS 185 Cb 0.33 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 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 -1.19 0.74 1.02 0.72 0.00 -1.26 -4.93 105.19 100.29 3h03 n GLY 186 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.37 2.29 -3.74 1.61 4.76 0.45 -4.85 118.16 116.30 3h03 n LYS 187 Ca 0.00 -1.99 -0.14 0.00 -2.87 0.00 0.00 58.31 53.32 3h03 n LYS 187 Cb 0.00 -1.45 -0.14 0.00 -1.84 0.00 0.00 35.03 31.60 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 -1.33 -0.18 -0.05 2.13 5.04 -1.25 -0.85 117.35 120.85 3h03 s TYR 188 Ca 0.38 0.53 0.05 0.00 -2.44 0.00 0.00 57.07 55.59 3h03 s TYR 188 Cb 0.20 -0.08 -0.02 0.00 0.35 0.00 0.00 41.96 42.41 3h03 s TYR 188 CO 0.27 -0.18 -0.21 0.00 -1.34 0.00 0.00 175.55 174.09 3h03 s ALA 189 N 1.24 2.36 -0.17 3.97 0.00 0.46 -4.55 121.76 125.08 3h03 s ALA 189 Ca -0.09 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 3h03 s ALA 189 Cb -0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3h03 s ALA 189 CO -0.06 0.49 -0.01 -0.47 0.00 0.00 0.00 175.76 175.71 3h03 s TYR 190 N -0.48 3.07 -0.31 0.00 5.04 -0.46 -2.18 117.35 122.03 3h03 s TYR 190 Ca 0.06 -0.26 -0.18 0.00 -2.44 0.00 0.00 57.07 54.25 3h03 s TYR 190 Cb -0.11 -2.00 -0.01 0.00 0.35 0.00 0.00 41.96 40.18 3h03 s TYR 190 CO 0.01 -0.04 0.53 -0.51 -1.34 0.00 0.00 175.55 174.21 3h03 s LEU 191 N 0.48 4.20 0.31 6.97 1.43 -0.10 -0.93 118.68 131.03 3h03 s LEU 191 Ca -0.02 0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 3h03 s LEU 191 Cb -0.14 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3h03 s LEU 191 CO 0.02 -0.41 0.48 -1.48 0.23 0.00 0.00 176.35 175.19 3h03 s LEU 192 N 2.41 0.69 0.26 1.79 2.34 -0.67 -4.57 118.68 120.94 3h03 s LEU 192 Ca 0.21 -1.26 -0.30 0.00 0.06 0.00 0.00 54.13 52.84 3h03 s LEU 192 Cb -0.15 1.63 -0.11 0.00 -0.56 0.00 0.00 46.19 47.00 3h03 s LEU 192 CO 0.12 -1.25 1.54 -1.61 -1.06 0.00 0.00 176.35 174.08 3h03 s GLU 193 N -3.39 4.19 0.30 1.48 2.02 -1.26 0.01 118.70 122.05 3h03 s GLU 193 Ca 0.27 2.46 0.05 0.00 0.02 0.00 0.00 54.97 57.76 3h03 s GLU 193 Cb -0.00 -3.07 0.69 0.00 0.10 0.00 0.00 34.13 31.85 3h03 s GLU 193 CO 0.15 -0.55 1.80 0.66 0.02 0.00 0.00 175.26 177.34 3h03 h SER 194 N 5.12 0.82 -0.23 -0.19 4.64 -0.96 -1.79 113.55 120.96 3h03 h SER 194 Ca -0.46 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 60.97 3h03 h SER 194 Cb 1.22 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 3h03 h SER 194 CO 0.80 0.35 0.04 0.71 -0.87 0.00 0.00 176.83 177.86 3h03 h THR 195 N 0.83 0.89 -0.53 2.95 1.35 -1.91 0.34 112.91 116.83 3h03 h THR 195 Ca 0.55 -0.04 -0.07 0.00 -0.55 0.00 0.00 66.41 66.29 3h03 h THR 195 Cb 0.77 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 3h03 h THR 195 CO -0.33 0.02 0.04 -0.03 -0.25 0.00 0.00 175.52 174.97 3h03 h MET 196 N 0.13 0.91 0.06 4.72 -1.53 -1.82 -0.71 114.93 116.68 3h03 h MET 196 Ca 0.10 -0.27 0.02 0.00 -3.44 0.00 0.00 59.70 56.12 3h03 h MET 196 Cb 0.11 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.03 3h03 h MET 196 CO -0.14 0.91 -0.18 -0.97 0.14 0.00 0.00 176.91 176.66 3h03 h ASN 197 N 0.78 -0.52 -0.94 1.39 -0.73 -0.85 -0.66 115.58 114.05 3h03 h ASN 197 Ca 0.15 0.07 0.04 0.00 1.87 0.00 0.00 56.30 58.44 3h03 h ASN 197 Cb 0.47 0.21 -0.06 0.00 0.27 0.00 0.00 38.32 39.21 3h03 h ASN 197 CO 0.02 -0.25 0.62 -0.33 -0.37 0.00 0.00 177.43 177.11 3h03 h GLU 198 N -0.33 1.12 0.00 6.67 5.08 -0.17 -2.01 114.58 124.95 3h03 h GLU 198 Ca 0.04 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h03 h GLU 198 Cb 0.37 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3h03 h GLU 198 CO -0.13 0.74 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.70 3h03 h TYR 199 N 1.16 -0.01 -0.25 4.33 3.20 -0.53 -3.08 116.97 121.79 3h03 h TYR 199 Ca 0.38 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 3h03 h TYR 199 Cb 0.06 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3h03 h TYR 199 CO -0.00 0.33 0.16 0.82 -1.64 0.00 0.00 178.16 177.82 3h03 h ILE 200 N -0.34 1.07 0.00 1.81 1.08 -0.99 -1.53 117.51 118.61 3h03 h ILE 200 Ca -0.00 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 3h03 h ILE 200 Cb 0.33 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3h03 h ILE 200 CO 0.00 0.07 -0.05 -0.08 -0.69 0.00 0.00 178.15 177.40 3h03 h GLU 201 N 0.34 0.00 -0.65 2.37 4.81 -1.28 -2.09 114.58 118.08 3h03 h GLU 201 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3h03 h GLU 201 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3h03 h GLU 201 CO -0.02 0.05 0.00 1.04 -0.73 0.00 0.00 179.01 179.35 3h03 n GLN 202 N -4.35 3.39 -4.88 1.92 1.13 -0.58 -4.81 117.38 109.20 3h03 n GLN 202 Ca -0.03 -2.58 -0.31 0.00 -1.94 0.00 0.00 57.00 52.15 3h03 n GLN 202 Cb 0.13 -1.81 -0.14 0.00 0.11 0.00 0.00 30.24 28.53 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 -1.75 1.95 0.72 -1.09 1.81 -0.79 -0.07 118.95 119.73 3h03 s ARG 203 Ca 0.46 -1.03 -0.16 0.00 -1.72 0.00 0.00 55.73 53.28 3h03 s ARG 203 Cb 0.29 -2.07 0.02 0.00 -0.45 0.00 0.00 34.95 32.74 3h03 s ARG 203 CO 0.23 0.53 1.14 1.63 -0.68 0.00 0.00 175.30 178.15 3h03 n LYS 204 N 1.82 0.63 0.00 3.54 4.76 -1.26 -1.09 118.16 126.56 3h03 n LYS 204 Ca -0.17 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3h03 n LYS 204 Cb 0.52 -2.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 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 -2.22 0.85 -3.88 1.97 -0.04 -1.26 -4.94 135.00 125.48 3h03 n PRO 205 Ca 0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 3h03 n PRO 205 Cb 0.49 -1.30 0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.94 2.55 -4.56 0.00 5.75 -1.26 -4.98 116.55 111.11 3h03 n ASP 207 Ca -0.17 -2.57 -0.26 0.00 -0.01 0.00 0.00 54.79 51.78 3h03 n ASP 207 Cb 0.62 -0.28 -0.11 0.00 -1.03 0.00 0.00 41.12 40.32 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 -2.00 2.21 -0.15 2.12 -4.23 -1.26 -0.79 115.64 111.54 3h03 s THR 208 Ca 0.22 -2.17 -0.19 0.00 -1.18 0.00 0.00 61.69 58.37 3h03 s THR 208 Cb 0.18 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.36 3h03 s THR 208 CO 0.05 -0.17 0.50 -0.32 -0.54 0.00 0.00 174.62 174.13 3h03 s MET 209 N -3.63 0.65 -0.17 3.99 1.75 0.05 -4.68 119.30 117.26 3h03 s MET 209 Ca 0.33 0.53 -0.17 0.00 -1.25 0.00 0.00 55.69 55.13 3h03 s MET 209 Cb 0.04 0.31 -0.04 0.00 2.84 0.00 0.00 34.83 37.98 3h03 s MET 209 CO 0.17 -0.11 0.44 0.21 -0.65 0.00 0.00 175.02 175.07 3h03 s LYS 210 N -0.12 4.23 0.16 4.11 2.20 -1.26 -1.61 119.74 127.46 3h03 s LYS 210 Ca -0.03 0.31 0.08 0.00 -0.36 0.00 0.00 55.97 55.97 3h03 s LYS 210 Cb -0.03 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3h03 s LYS 210 CO 0.02 0.01 -0.18 0.14 -0.36 0.00 0.00 175.35 174.99 3h03 s VAL 211 N 1.12 1.78 0.34 4.02 -7.23 -0.66 -5.03 120.40 114.75 3h03 s VAL 211 Ca 0.22 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 3h03 s VAL 211 Cb -0.15 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.97 3h03 s VAL 211 CO 0.09 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 3h03 n GLY 212 N 0.30 -2.76 3.81 2.32 0.00 -1.13 -3.78 105.19 103.95 3h03 n GLY 212 Ca -0.13 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 -6.16 1.58 0.52 -0.02 0.00 -1.26 -4.83 107.32 97.14 3h03 s GLY 213 Ca 0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 44.72 43.98 3h03 s GLY 213 CO 0.00 0.00 1.13 -1.31 0.00 0.00 0.00 173.10 172.93 3h03 s ASN 214 N -4.13 5.88 0.31 1.64 0.01 -1.26 -4.84 114.94 112.54 3h03 s ASN 214 Ca 0.63 2.20 0.22 0.00 -0.71 0.00 0.00 52.86 55.20 3h03 s ASN 214 Cb -0.14 -2.59 0.15 0.00 0.41 0.00 0.00 41.25 39.09 3h03 s ASN 214 CO 0.52 -1.11 1.31 -0.07 -1.51 0.00 0.00 177.10 176.24 3h03 h LEU 215 N 1.45 0.00 0.00 0.60 3.38 -1.12 -3.48 115.31 116.14 3h03 h LEU 215 Ca -0.50 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.30 3h03 h LEU 215 Cb 1.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 3h03 h LEU 215 CO 0.58 0.04 -0.03 -0.90 0.09 0.00 0.00 178.44 178.21 3h03 n ASP 216 N -2.90 -1.23 -3.95 -0.43 5.75 -1.26 -4.93 116.55 107.60 3h03 n ASP 216 Ca 0.02 -2.41 -0.15 0.00 -0.01 0.00 0.00 54.79 52.24 3h03 n ASP 216 Cb 0.56 2.21 -0.14 0.00 -1.03 0.00 0.00 41.12 42.72 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 -2.66 0.48 0.20 -1.12 0.01 -1.26 -4.08 113.70 105.26 3h03 s SER 217 Ca 0.20 -0.12 -0.19 0.00 1.31 0.00 0.00 55.95 57.15 3h03 s SER 217 Cb -0.01 -0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.24 3h03 s SER 217 CO 0.14 0.02 0.94 2.29 0.41 0.00 0.00 173.24 177.05 3h03 n LYS 218 N 2.84 0.67 -3.84 12.44 2.85 -0.55 -4.97 118.16 127.60 3h03 n LYS 218 Ca -0.14 -1.49 -0.09 0.00 -1.05 0.00 0.00 58.31 55.54 3h03 n LYS 218 Cb 0.58 1.99 -0.04 0.00 -0.65 0.00 0.00 35.03 36.91 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 -3.31 0.11 -0.04 2.58 0.00 -1.26 -0.26 107.32 105.15 3h03 s GLY 219 Ca 0.21 -0.45 -0.07 0.00 0.00 0.00 0.00 44.72 44.41 3h03 s GLY 219 CO 0.06 -0.37 0.24 -0.19 0.00 0.00 0.00 173.10 172.83 3h03 s TYR 220 N -3.92 3.60 0.16 1.90 2.02 -0.46 -1.83 117.35 118.83 3h03 s TYR 220 Ca 0.13 0.60 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 3h03 s TYR 220 Cb -0.01 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 3h03 s TYR 220 CO 0.02 0.66 -0.04 0.20 -1.57 0.00 0.00 175.55 174.82 3h03 s GLY 221 N -1.42 1.16 -0.02 0.71 0.00 -0.78 -0.83 107.32 106.13 3h03 s GLY 221 Ca 0.23 -1.55 -0.21 0.00 0.00 0.00 0.00 44.72 43.19 3h03 s GLY 221 CO 0.12 -1.56 0.60 -0.42 0.00 0.00 0.00 173.10 171.84 3h03 s ILE 222 N -3.53 4.96 0.10 0.90 1.01 -1.26 -4.44 121.20 118.93 3h03 s ILE 222 Ca 0.21 1.25 0.06 0.00 0.00 0.00 0.00 60.65 62.16 3h03 s ILE 222 Cb 0.05 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3h03 s ILE 222 CO 0.02 0.38 -0.05 0.00 0.00 0.00 0.00 174.94 175.30 3h03 s ALA 223 N 0.04 3.12 0.05 9.38 0.00 -0.73 -0.77 121.76 132.85 3h03 s ALA 223 Ca 0.32 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 3h03 s ALA 223 Cb -0.18 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3h03 s ALA 223 CO 0.17 0.67 0.08 0.95 0.00 0.00 0.00 175.76 177.62 3h03 s THR 224 N -1.26 0.15 0.78 0.00 -4.23 -0.38 -0.64 115.64 110.06 3h03 s THR 224 Ca 0.23 -1.25 -0.14 0.00 -1.18 0.00 0.00 61.69 59.36 3h03 s THR 224 Cb -0.11 -1.05 0.05 0.00 1.34 0.00 0.00 72.50 72.73 3h03 s THR 224 CO 0.16 -0.69 1.12 -2.65 -0.54 0.00 0.00 174.62 172.03 3h03 n PRO 225 N 0.56 0.33 -1.76 3.99 -0.02 -1.26 -0.89 135.00 135.95 3h03 n PRO 225 Ca -0.18 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 3h03 n PRO 225 Cb 0.59 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 3h03 n PRO 225 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h03 n LYS 226 N -2.74 2.65 -2.14 -0.52 4.76 -1.26 -2.29 118.16 116.62 3h03 n LYS 226 Ca 0.13 0.93 -0.16 0.00 -2.87 0.00 0.00 58.31 56.35 3h03 n LYS 226 Cb 0.50 -2.67 -0.02 0.00 -1.84 0.00 0.00 35.03 31.00 3h03 n LYS 226 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h03 n GLY 227 N 0.98 0.10 3.79 0.72 0.00 -1.26 -4.98 105.19 104.53 3h03 n GLY 227 Ca 0.04 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.38 7.25 0.00 1.61 0.15 -0.97 -4.95 113.70 114.41 3h03 s SER 228 Ca 0.00 1.81 0.25 0.00 0.70 0.00 0.00 55.95 58.71 3h03 s SER 228 Cb 0.00 -2.57 1.22 0.00 -1.71 0.00 0.00 66.02 62.96 3h03 s SER 228 CO 0.00 -0.13 1.82 -1.54 1.20 0.00 0.00 173.24 174.58 3h03 n SER 229 N 0.31 0.00 0.06 5.45 3.41 -1.26 -2.94 113.62 118.64 3h03 n SER 229 Ca 0.03 -0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.72 3h03 n SER 229 Cb 0.51 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 3h03 n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h03 n LEU 230 N -1.31 0.64 -0.21 1.04 4.77 -1.26 -4.55 117.00 116.12 3h03 n LEU 230 Ca 0.11 0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 56.26 3h03 n LEU 230 Cb 0.21 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3h03 n LEU 230 CO 0.19 -0.04 0.56 1.23 -1.33 0.00 0.00 177.39 177.99 3h03 h GLY 231 N 3.93 -0.55 0.85 -0.72 0.00 -1.90 -1.25 103.07 103.43 3h03 h GLY 231 Ca -0.06 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3h03 h GLY 231 CO 0.01 -0.14 -0.13 -0.57 0.00 0.00 0.00 176.54 175.71 3h03 h ASN 232 N -0.24 -0.33 -0.53 0.19 -1.24 -1.81 -1.72 115.58 109.89 3h03 h ASN 232 Ca 0.17 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.23 3h03 h ASN 232 Cb 0.56 0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 3h03 h ASN 232 CO -0.69 -0.20 0.32 0.00 -1.29 0.00 0.00 177.43 175.57 3h03 h ALA 233 N 0.56 0.68 -0.73 1.57 0.00 -1.78 -2.00 119.26 117.56 3h03 h ALA 233 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3h03 h ALA 233 Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3h03 h ALA 233 CO -0.03 0.02 0.30 0.28 0.00 0.00 0.00 179.25 179.83 3h03 h VAL 234 N 0.63 1.24 -0.41 0.00 2.07 -1.11 -1.67 116.25 117.01 3h03 h VAL 234 Ca 0.22 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3h03 h VAL 234 Cb 0.03 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3h03 h VAL 234 CO -0.10 0.31 0.18 -1.13 0.02 0.00 0.00 177.57 176.84 3h03 h ASN 235 N 1.05 0.55 -0.40 0.57 -1.24 -0.89 -2.10 115.58 113.13 3h03 h ASN 235 Ca 0.25 -0.15 -0.06 0.00 0.71 0.00 0.00 56.30 57.04 3h03 h ASN 235 Cb 0.18 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 3h03 h ASN 235 CO -0.02 0.55 0.04 -0.07 -1.29 0.00 0.00 177.43 176.64 3h03 h LEU 236 N 0.51 0.72 -0.69 0.34 3.38 -1.09 -2.67 115.31 115.81 3h03 h LEU 236 Ca 0.14 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3h03 h LEU 236 Cb 0.16 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3h03 h LEU 236 CO -0.01 0.76 0.20 0.00 0.09 0.00 0.00 178.44 179.48 3h03 h ALA 237 N 1.33 0.90 -0.63 1.53 0.00 -1.04 0.03 119.26 121.39 3h03 h ALA 237 Ca 0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3h03 h ALA 237 Cb 0.38 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3h03 h ALA 237 CO 0.01 0.59 0.16 0.28 0.00 0.00 0.00 179.25 180.29 3h03 h VAL 238 N 1.01 1.25 -0.29 0.00 2.07 -1.14 0.85 116.25 120.00 3h03 h VAL 238 Ca 0.22 -0.89 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 3h03 h VAL 238 Cb 0.32 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3h03 h VAL 238 CO -0.00 0.34 -0.29 -0.07 0.02 0.00 0.00 177.57 177.57 3h03 h LEU 239 N 0.94 0.76 -0.64 2.57 3.38 -1.15 -2.45 115.31 118.72 3h03 h LEU 239 Ca 0.20 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3h03 h LEU 239 Cb 0.33 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3h03 h LEU 239 CO -0.00 1.07 0.31 0.50 0.09 0.00 0.00 178.44 180.41 3h03 h LYS 240 N 0.46 0.92 -0.71 1.13 3.64 -0.63 -1.49 116.57 119.89 3h03 h LYS 240 Ca 0.05 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3h03 h LYS 240 Cb 0.85 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3h03 h LYS 240 CO 0.07 0.74 0.37 -0.07 -2.27 0.00 0.00 179.45 178.29 3h03 h LEU 241 N 0.88 0.90 -0.20 5.20 3.38 -0.78 -0.46 115.31 124.23 3h03 h LEU 241 Ca 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3h03 h LEU 241 Cb 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3h03 h LEU 241 CO -0.03 0.75 0.05 -1.13 0.09 0.00 0.00 178.44 178.17 3h03 h ASN 242 N 0.98 0.31 -0.08 -0.43 -0.00 -1.17 -1.26 115.58 113.93 3h03 h ASN 242 Ca 0.25 -0.24 -0.01 0.00 -0.00 0.00 0.00 56.30 56.30 3h03 h ASN 242 Cb 0.07 -0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 38.30 3h03 h ASN 242 CO -0.04 0.46 0.03 -0.33 -0.00 0.00 0.00 177.43 177.56 3h03 h GLU 243 N 0.14 0.16 -0.00 6.67 5.08 -1.01 0.27 114.58 125.88 3h03 h GLU 243 Ca 0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3h03 h GLU 243 Cb 0.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3h03 h GLU 243 CO 0.00 0.15 -0.03 1.04 -1.00 0.00 0.00 179.01 179.17 3h03 n GLN 244 N -4.47 0.49 -0.95 2.33 6.02 -0.20 -4.89 117.38 115.70 3h03 n GLN 244 Ca -0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 3h03 n GLN 244 Cb 0.12 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 1.28 0.83 0.19 1.08 0.00 0.08 -4.93 105.19 103.72 3h03 n GLY 245 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.32 0.99 4.07 -1.44 -2.24 115.31 116.37 3h03 h LEU 246 Ca 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 3h03 h LEU 246 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3h03 h LEU 246 CO 0.00 0.38 -0.30 -0.07 -1.08 0.00 0.00 178.44 177.37 3h03 h LEU 247 N 0.00 0.82 -0.70 1.67 3.38 -1.84 -1.44 115.31 117.19 3h03 h LEU 247 Ca -0.00 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 3h03 h LEU 247 Cb 0.72 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3h03 h LEU 247 CO 0.05 1.11 -0.07 0.44 0.09 0.00 0.00 178.44 180.06 3h03 h ASP 248 N 0.54 0.92 -0.45 -0.43 5.19 -1.87 -1.73 116.42 118.58 3h03 h ASP 248 Ca 0.05 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.17 3h03 h ASP 248 Cb 0.87 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 3h03 h ASP 248 CO 0.07 1.02 0.21 0.50 -3.12 0.00 0.00 179.24 177.92 3h03 h LYS 249 N 0.84 0.66 -0.71 3.56 3.64 -1.29 -0.95 116.57 122.32 3h03 h LYS 249 Ca 0.14 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3h03 h LYS 249 Cb 0.60 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3h03 h LYS 249 CO 0.04 0.57 0.22 1.25 -2.27 0.00 0.00 179.45 179.25 3h03 h LEU 250 N 0.59 1.03 -0.25 5.20 5.85 -1.08 -1.25 115.31 125.40 3h03 h LEU 250 Ca 0.15 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3h03 h LEU 250 Cb 0.13 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3h03 h LEU 250 CO -0.02 0.97 0.03 0.50 -0.34 0.00 0.00 178.44 179.58 3h03 h LYS 251 N 1.04 0.43 -0.78 1.25 3.11 -1.09 -2.13 116.57 118.40 3h03 h LYS 251 Ca 0.23 -0.12 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 3h03 h LYS 251 Cb 0.31 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.46 3h03 h LYS 251 CO -0.01 0.57 0.46 -0.97 -2.81 0.00 0.00 179.45 176.70 3h03 h ASN 252 N 0.22 0.93 -0.00 4.20 -1.24 -0.99 -1.37 115.58 117.34 3h03 h ASN 252 Ca 0.07 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 3h03 h ASN 252 Cb 0.36 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.17 3h03 h ASN 252 CO 0.01 0.72 0.00 0.50 -1.29 0.00 0.00 177.43 177.37 3h03 h LYS 253 N 1.07 0.01 0.00 6.67 3.64 -1.02 0.11 116.57 127.04 3h03 h LYS 253 Ca 0.28 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3h03 h LYS 253 Cb -0.04 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3h03 h LYS 253 CO -0.05 0.28 -0.14 -1.49 -2.27 0.00 0.00 179.45 175.78 3h03 h TRP 254 N -0.27 0.00 0.00 1.91 4.06 -1.30 -2.23 115.95 118.13 3h03 h TRP 254 Ca 0.00 0.00 -0.43 0.00 2.06 0.00 0.00 58.89 60.52 3h03 h TRP 254 Cb 0.28 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.37 3h03 h TRP 254 CO 0.02 0.00 -2.47 0.91 -3.56 0.00 0.00 178.44 173.34 3h03 n TRP 255 N -2.59 0.07 -0.10 0.49 8.01 -0.52 -4.66 117.44 118.13 3h03 n TRP 255 Ca 0.04 0.02 -0.22 0.00 -1.31 0.00 0.00 57.50 56.04 3h03 n TRP 255 Cb 0.48 -1.01 -0.07 0.00 -2.01 0.00 0.00 31.31 28.70 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 -3.94 0.00 0.02 -5.99 4.01 -0.20 -3.70 117.16 107.37 3h03 n TYR 256 Ca -0.51 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.39 3h03 n TYR 256 Cb 0.92 -0.74 0.63 0.00 -0.31 0.00 0.00 39.34 39.84 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 -0.76 0.09 -0.63 7.72 5.19 -0.82 0.26 116.42 127.48 3h03 h ASP 257 Ca -0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 3h03 h ASP 257 Cb 1.44 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.93 3h03 h ASP 257 CO -0.31 0.05 0.00 0.29 -3.12 0.00 0.00 179.24 176.15 3h03 n LYS 258 N -4.43 3.33 -1.01 3.56 5.02 -0.84 -4.99 118.16 118.79 3h03 n LYS 258 Ca 0.08 -2.75 -0.30 0.00 -2.02 0.00 0.00 58.31 53.32 3h03 n LYS 258 Cb 0.46 -1.74 0.16 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.99 1.62 0.00 0.72 0.00 0.92 -4.98 107.32 104.61 3h03 s GLY 259 Ca 0.48 0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3h03 s GLY 259 CO 0.26 0.56 0.63 1.18 0.00 0.00 0.00 173.10 175.73 3h03 n GLU 260 N -4.09 0.21 0.00 2.90 1.02 0.89 -5.04 120.64 116.53 3h03 n GLU 260 Ca 0.07 -0.78 0.02 0.00 -0.02 0.00 0.00 57.16 56.45 3h03 n GLU 260 Cb 0.54 -0.98 0.01 0.00 -0.02 0.00 0.00 31.44 31.00 3h03 n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31