#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h06 s VAL 6 N 0.00 4.54 -0.53 12.58 1.01 0.69 -4.92 120.40 133.77 3h06 s VAL 6 Ca 0.00 1.95 -0.19 0.00 0.00 0.00 0.00 61.98 63.74 3h06 s VAL 6 Cb 0.00 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.20 3h06 s VAL 6 CO 0.00 0.22 0.65 -0.69 0.00 0.00 0.00 175.10 175.28 3h06 s VAL 7 N 0.52 4.86 -0.13 2.92 1.01 -1.26 -0.42 120.40 127.89 3h06 s VAL 7 Ca 0.51 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3h06 s VAL 7 Cb -0.24 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 3h06 s VAL 7 CO 0.29 -0.89 0.33 -0.69 0.00 0.00 0.00 175.10 174.14 3h06 s VAL 8 N 2.65 5.26 -0.14 2.92 1.01 -0.71 -0.52 120.40 130.88 3h06 s VAL 8 Ca 0.14 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 3h06 s VAL 8 Cb -0.21 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3h06 s VAL 8 CO 0.10 0.41 -0.01 0.28 0.00 0.00 0.00 175.10 175.88 3h06 s THR 9 N 0.28 4.18 0.30 3.92 -1.32 0.95 -1.62 115.64 122.34 3h06 s THR 9 Ca 0.19 -0.27 0.05 0.00 -1.21 0.00 0.00 61.69 60.46 3h06 s THR 9 Cb -0.14 -2.82 -0.03 0.00 -1.51 0.00 0.00 72.50 68.00 3h06 s THR 9 CO 0.06 0.52 0.25 0.28 -2.21 0.00 0.00 174.62 173.52 3h06 s THR 10 N -0.02 0.00 0.00 5.08 -1.32 -0.18 -1.79 115.64 117.42 3h06 s THR 10 Ca 0.03 -1.99 0.01 0.00 -1.21 0.00 0.00 61.69 58.53 3h06 s THR 10 Cb -0.13 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 3h06 s THR 10 CO 0.02 0.00 -0.05 -0.51 -2.21 0.00 0.00 174.62 171.88 3h06 s ILE 11 N -3.59 0.34 -0.38 5.08 2.07 -1.26 -1.05 121.20 122.41 3h06 s ILE 11 Ca 0.40 -0.33 -0.28 0.00 -1.41 0.00 0.00 60.65 59.03 3h06 s ILE 11 Cb 0.03 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 3h06 s ILE 11 CO 0.24 0.00 1.74 -0.76 -1.91 0.00 0.00 174.94 174.25 3h06 s LEU 12 N -0.35 3.49 -0.26 8.50 1.43 -1.26 -4.49 118.68 125.73 3h06 s LEU 12 Ca -0.01 1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 54.11 3h06 s LEU 12 Cb -0.03 -3.38 0.13 0.00 0.03 0.00 0.00 46.19 42.94 3h06 s LEU 12 CO -0.00 -1.75 0.54 -0.70 0.23 0.00 0.00 176.35 174.67 3h06 s GLU 13 N 5.72 0.47 0.16 1.70 2.56 -0.74 -5.01 118.70 123.55 3h06 s GLU 13 Ca 0.75 1.16 -0.30 0.00 0.00 0.00 0.00 54.97 56.58 3h06 s GLU 13 Cb -0.19 0.52 -0.07 0.00 2.00 0.00 0.00 34.13 36.38 3h06 s GLU 13 CO 0.32 -0.33 1.18 -1.12 -0.56 0.00 0.00 175.26 174.75 3h06 s SER 14 N 2.77 7.12 -0.51 -1.70 0.01 -1.26 -0.18 113.70 119.96 3h06 s SER 14 Ca 0.02 2.16 0.02 0.00 1.31 0.00 0.00 55.95 59.45 3h06 s SER 14 Cb -0.13 -2.60 0.48 0.00 0.21 0.00 0.00 66.02 63.98 3h06 s SER 14 CO -0.17 -0.36 1.74 -0.81 0.41 0.00 0.00 173.24 174.04 3h06 n PRO 15 N 2.79 2.80 0.03 12.44 -0.04 -1.26 -4.98 135.00 146.78 3h06 n PRO 15 Ca 0.05 -3.49 -0.20 0.00 -0.04 0.00 0.00 63.50 59.82 3h06 n PRO 15 Cb 0.45 -2.22 -0.14 0.00 -0.04 0.00 0.00 33.50 31.55 3h06 n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3h06 h TYR 16 N 1.84 0.48 -2.39 0.54 0.05 -0.90 0.19 116.97 116.78 3h06 h TYR 16 Ca 0.51 -0.35 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 3h06 h TYR 16 Cb 1.31 -0.02 -0.25 0.00 1.01 0.00 0.00 36.73 38.78 3h06 h TYR 16 CO 1.26 1.33 -0.20 0.54 -1.05 0.00 0.00 178.16 180.03 3h06 s VAL 17 N -2.42 -0.18 0.27 -2.88 0.11 -0.90 0.11 120.40 114.52 3h06 s VAL 17 Ca -0.15 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 3h06 s VAL 17 Cb 0.01 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3h06 s VAL 17 CO 0.80 0.03 0.36 -0.04 -3.33 0.00 0.00 175.10 172.92 3h06 s MET 18 N 1.76 1.57 0.34 1.54 -1.94 -0.29 -1.80 119.30 120.49 3h06 s MET 18 Ca -0.08 -1.58 -0.23 0.00 -1.71 0.00 0.00 55.69 52.10 3h06 s MET 18 Cb -0.08 0.39 -0.10 0.00 2.01 0.00 0.00 34.83 37.05 3h06 s MET 18 CO -0.15 -0.62 0.89 -1.64 -0.01 0.00 0.00 175.02 173.49 3h06 s MET 19 N -3.72 4.37 0.48 2.03 -1.94 -1.26 -2.42 119.30 116.84 3h06 s MET 19 Ca 0.31 1.13 -0.12 0.00 -1.71 0.00 0.00 55.69 55.31 3h06 s MET 19 Cb 0.02 -2.59 -0.06 0.00 2.01 0.00 0.00 34.83 34.21 3h06 s MET 19 CO 0.15 0.19 0.88 0.15 -0.01 0.00 0.00 175.02 176.38 3h06 s LYS 20 N -2.47 3.78 0.12 2.03 1.02 -0.62 -4.86 119.74 118.74 3h06 s LYS 20 Ca 0.53 0.63 -0.26 0.00 0.02 0.00 0.00 55.97 56.89 3h06 s LYS 20 Cb -0.15 -2.26 -0.07 0.00 -0.52 0.00 0.00 37.83 34.83 3h06 s LYS 20 CO 0.19 -0.21 1.45 1.57 -0.92 0.00 0.00 175.35 177.43 3h06 h LYS 21 N 0.79 -0.16 -2.48 1.68 -0.00 -1.97 -1.80 116.57 112.64 3h06 h LYS 21 Ca -0.47 0.01 -0.75 0.00 -0.00 0.00 0.00 60.65 59.45 3h06 h LYS 21 Cb 1.19 0.04 -0.32 0.00 -0.00 0.00 0.00 32.23 33.14 3h06 h LYS 21 CO 0.63 -0.11 0.47 0.27 -0.00 0.00 0.00 179.45 180.71 3h06 n ASN 22 N -4.88 6.09 0.09 7.07 6.94 -1.26 -4.76 115.26 124.55 3h06 n ASN 22 Ca -0.01 -3.56 -0.08 0.00 -0.02 0.00 0.00 54.58 50.92 3h06 n ASN 22 Cb 0.25 -1.04 -0.04 0.00 -2.36 0.00 0.00 39.78 36.59 3h06 n ASN 22 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3h06 h HIS 23 N 4.46 0.17 0.00 -2.53 2.07 -1.63 -2.82 115.15 114.87 3h06 h HIS 23 Ca 0.31 -0.10 -0.01 0.00 -2.85 0.00 0.00 60.37 57.71 3h06 h HIS 23 Cb 0.50 -0.02 -0.00 0.00 2.57 0.00 0.00 27.41 30.46 3h06 h HIS 23 CO 1.06 0.97 -0.04 1.05 -3.07 0.00 0.00 177.93 177.90 3h06 h GLU 24 N 0.05 0.00 0.00 5.12 9.09 -1.85 -3.01 114.58 123.97 3h06 h GLU 24 Ca -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.37 3h06 h GLU 24 Cb 1.59 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.69 3h06 h GLU 24 CO 0.13 0.04 -0.09 0.52 0.05 0.00 0.00 179.01 179.67 3h06 h MET 25 N 0.00 0.00 -6.93 1.06 2.86 -1.92 -3.47 114.93 106.53 3h06 h MET 25 Ca -0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 3h06 h MET 25 Cb 0.27 0.00 0.23 0.00 0.06 0.00 0.00 31.60 32.16 3h06 h MET 25 CO 0.01 0.14 -0.47 1.28 1.06 0.00 0.00 176.91 178.92 3h06 n LEU 26 N -4.73 -1.83 -4.29 1.22 4.77 -1.07 -5.05 117.00 106.01 3h06 n LEU 26 Ca -0.03 -0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.57 3h06 n LEU 26 Cb 0.10 -1.13 -0.13 0.00 -2.33 0.00 0.00 43.42 39.94 3h06 n LEU 26 CO 0.06 -3.23 -0.52 -0.70 -1.33 0.00 0.00 177.39 171.67 3h06 s GLU 27 N -3.99 1.13 1.01 3.23 2.56 -1.26 -4.86 118.70 116.53 3h06 s GLU 27 Ca 0.63 -1.17 0.00 0.00 0.00 0.00 0.00 54.97 54.43 3h06 s GLU 27 Cb -0.20 -1.41 0.00 0.00 2.00 0.00 0.00 34.13 34.52 3h06 s GLU 27 CO 0.66 0.33 0.00 0.41 -0.56 0.00 0.00 175.26 176.09 3h06 n GLY 28 N 1.08 2.09 0.20 -1.50 0.00 -1.26 -2.29 105.19 103.52 3h06 n GLY 28 Ca -0.19 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3h06 n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h06 h ASN 29 N 0.00 0.16 0.00 1.61 4.21 -1.96 -2.99 115.58 116.62 3h06 h ASN 29 Ca 0.00 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.45 3h06 h ASN 29 Cb 0.00 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 3h06 h ASN 29 CO 0.00 0.50 0.00 1.21 -1.29 0.00 0.00 177.43 177.85 3h06 n GLU 30 N -4.10 0.69 0.10 0.81 4.07 -0.97 -2.74 120.64 118.49 3h06 n GLU 30 Ca -0.01 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.06 3h06 n GLU 30 Cb 0.41 -1.39 -0.03 0.00 -0.06 0.00 0.00 31.44 30.37 3h06 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3h06 h ARG 31 N 0.00 0.00 -6.18 5.31 3.08 -1.66 -3.46 114.38 111.48 3h06 h ARG 31 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3h06 h ARG 31 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3h06 h ARG 31 CO 0.00 0.76 -0.50 0.71 -1.07 0.00 0.00 179.97 179.87 3h06 s TYR 32 N -2.88 2.92 0.28 3.04 2.02 -1.11 -1.58 117.35 120.04 3h06 s TYR 32 Ca 0.02 -0.25 -0.21 0.00 -0.37 0.00 0.00 57.07 56.26 3h06 s TYR 32 Cb 0.09 -1.61 0.03 0.00 -0.40 0.00 0.00 41.96 40.07 3h06 s TYR 32 CO 0.78 0.34 0.76 -1.83 -1.57 0.00 0.00 175.55 174.03 3h06 s GLU 33 N -3.90 1.77 0.00 -0.62 -1.05 -1.01 -4.89 118.70 108.99 3h06 s GLU 33 Ca 0.37 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.19 3h06 s GLU 33 Cb -0.06 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 3h06 s GLU 33 CO 0.25 -0.81 0.00 0.41 0.95 0.00 0.00 175.26 176.06 3h06 n GLY 34 N -0.47 1.15 0.18 -3.83 0.00 -1.26 -1.13 105.19 99.82 3h06 n GLY 34 Ca -0.05 -2.28 -0.06 0.00 0.00 0.00 0.00 46.02 43.64 3h06 n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3h06 h TYR 35 N 0.00 -0.26 -0.12 1.61 3.20 0.17 -2.41 116.97 119.15 3h06 h TYR 35 Ca 0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.76 3h06 h TYR 35 Cb 0.00 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3h06 h TYR 35 CO 0.00 -0.19 -0.57 0.00 -1.64 0.00 0.00 178.16 175.76 3h06 h VAL 37 N 0.28 1.22 0.01 0.00 2.07 -1.43 0.78 116.25 119.17 3h06 h VAL 37 Ca 0.00 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3h06 h VAL 37 Cb 1.08 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3h06 h VAL 37 CO 0.10 0.29 -0.00 0.44 0.02 0.00 0.00 177.57 178.41 3h06 h ASP 38 N 0.81 -0.01 -0.82 0.57 3.32 -1.32 -2.68 116.42 116.29 3h06 h ASP 38 Ca 0.18 -0.40 0.11 0.00 0.02 0.00 0.00 57.03 56.94 3h06 h ASP 38 Cb 0.26 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.73 3h06 h ASP 38 CO -0.01 0.40 0.45 0.25 -1.72 0.00 0.00 179.24 178.61 3h06 h LEU 39 N -0.42 0.61 -0.49 1.55 5.85 -0.73 -1.12 115.31 120.55 3h06 h LEU 39 Ca -0.00 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3h06 h LEU 39 Cb 0.41 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3h06 h LEU 39 CO 0.00 0.32 0.15 0.00 -0.34 0.00 0.00 178.44 178.58 3h06 h ALA 40 N 1.48 0.59 -0.41 1.25 0.00 0.66 -1.35 119.26 121.47 3h06 h ALA 40 Ca 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 3h06 h ALA 40 Cb 0.44 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3h06 h ALA 40 CO -0.28 -0.25 0.23 0.00 0.00 0.00 0.00 179.25 178.95 3h06 h ALA 41 N 1.35 1.63 0.05 0.00 0.00 -0.87 -0.45 119.26 120.97 3h06 h ALA 41 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h06 h ALA 41 Cb 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h06 h ALA 41 CO -0.27 0.31 -0.02 0.93 0.00 0.00 0.00 179.25 180.20 3h06 h GLU 42 N 0.57 -0.06 0.20 0.00 4.39 -0.96 -0.45 114.58 118.26 3h06 h GLU 42 Ca 0.15 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.86 3h06 h GLU 42 Cb 0.01 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3h06 h GLU 42 CO -0.03 0.47 -0.28 0.82 -1.16 0.00 0.00 179.01 178.84 3h06 h ILE 43 N -0.64 0.41 -0.93 3.13 1.08 -1.12 0.32 117.51 119.76 3h06 h ILE 43 Ca -0.01 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.69 3h06 h ILE 43 Cb 0.56 0.41 -0.12 0.00 -3.07 0.00 0.00 36.82 34.60 3h06 h ILE 43 CO 0.01 0.00 0.46 0.00 -0.69 0.00 0.00 178.15 177.93 3h06 h ALA 44 N 0.12 1.54 0.28 1.87 0.00 -1.12 0.26 119.26 122.20 3h06 h ALA 44 Ca 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h06 h ALA 44 Cb 0.53 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h06 h ALA 44 CO -0.11 -0.31 -0.13 -0.22 0.00 0.00 0.00 179.25 178.48 3h06 h LYS 45 N 0.47 -0.36 -0.81 0.00 3.64 0.69 -0.45 116.57 119.76 3h06 h LYS 45 Ca 0.58 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.95 3h06 h LYS 45 Cb 1.10 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 3h06 h LYS 45 CO -0.50 -0.04 0.35 0.45 -2.27 0.00 0.00 179.45 177.44 3h06 h HIS 46 N -0.69 1.20 0.00 1.91 3.86 0.79 -2.36 115.15 119.86 3h06 h HIS 46 Ca -0.04 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3h06 h HIS 46 Cb 0.48 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3h06 h HIS 46 CO 0.02 0.89 0.00 0.00 0.86 0.00 0.00 177.93 179.70 3h06 n GLY 48 N 1.40 -0.44 3.13 0.00 0.00 -0.49 -5.06 105.19 103.73 3h06 n GLY 48 Ca 0.07 0.28 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 3h06 n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h06 s PHE 49 N -3.25 0.35 0.07 1.61 -0.12 -0.30 -5.04 117.98 111.30 3h06 s PHE 49 Ca 0.29 -0.82 -0.07 0.00 -0.05 0.00 0.00 56.93 56.29 3h06 s PHE 49 Cb -0.04 -0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.05 3h06 s PHE 49 CO 0.48 -0.43 0.34 0.15 -0.05 0.00 0.00 175.22 175.71 3h06 s LYS 50 N -3.65 3.64 0.19 1.99 -0.14 -1.26 -4.67 119.74 115.84 3h06 s LYS 50 Ca 0.04 -0.01 -0.14 0.00 -1.36 0.00 0.00 55.97 54.50 3h06 s LYS 50 Cb 0.05 -2.99 0.01 0.00 -1.68 0.00 0.00 37.83 33.23 3h06 s LYS 50 CO -0.09 0.57 0.44 1.52 -0.76 0.00 0.00 175.35 177.02 3h06 s TYR 51 N -1.44 0.13 -0.07 3.18 -0.85 -1.26 -0.22 117.35 116.81 3h06 s TYR 51 Ca 0.33 -0.48 -0.00 0.00 -0.52 0.00 0.00 57.07 56.40 3h06 s TYR 51 Cb -0.13 0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.45 3h06 s TYR 51 CO 0.20 -0.87 -0.03 0.21 -1.52 0.00 0.00 175.55 173.54 3h06 s LYS 52 N -3.93 0.92 0.58 -3.49 2.20 0.43 -4.88 119.74 111.58 3h06 s LYS 52 Ca 0.14 -0.06 -0.17 0.00 -0.36 0.00 0.00 55.97 55.52 3h06 s LYS 52 Cb 0.00 -1.09 -0.04 0.00 -1.51 0.00 0.00 37.83 35.20 3h06 s LYS 52 CO 0.00 -0.21 1.10 -0.51 -0.36 0.00 0.00 175.35 175.37 3h06 s LEU 53 N 1.54 3.60 -0.09 5.43 1.43 -1.26 -1.74 118.68 127.60 3h06 s LEU 53 Ca -0.01 2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 54.97 3h06 s LEU 53 Cb -0.13 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.56 3h06 s LEU 53 CO -0.04 -1.29 0.39 0.42 0.23 0.00 0.00 176.35 176.06 3h06 s THR 54 N -2.09 0.02 -0.39 5.49 -4.23 -0.64 -4.89 115.64 108.90 3h06 s THR 54 Ca 0.69 -0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 60.86 3h06 s THR 54 Cb -0.21 -0.62 0.01 0.00 1.34 0.00 0.00 72.50 73.02 3h06 s THR 54 CO 0.32 -0.10 0.31 -0.63 -0.54 0.00 0.00 174.62 173.98 3h06 s ILE 55 N -0.51 5.24 0.02 2.99 -1.09 -1.26 -1.01 121.20 125.58 3h06 s ILE 55 Ca -0.06 -0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 57.66 3h06 s ILE 55 Cb -0.04 -3.89 -0.10 0.00 -1.58 0.00 0.00 42.46 36.85 3h06 s ILE 55 CO 0.03 -0.25 0.51 0.55 -1.23 0.00 0.00 174.94 174.55 3h06 n VAL 56 N 5.18 0.20 -0.02 2.92 3.14 -0.21 -4.85 118.33 124.69 3h06 n VAL 56 Ca -0.11 -0.05 -0.11 0.00 -2.96 0.00 0.00 64.34 61.11 3h06 n VAL 56 Cb 0.48 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.21 3h06 n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3h06 h GLY 57 N 1.39 -0.52 -1.94 7.55 0.00 -1.92 -2.18 103.07 105.46 3h06 h GLY 57 Ca -0.25 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3h06 h GLY 57 CO 0.34 -0.22 0.00 2.09 0.00 0.00 0.00 176.54 178.75 3h06 n ASP 58 N -5.42 2.82 -2.37 0.19 3.85 -1.26 -4.90 116.55 109.46 3h06 n ASP 58 Ca -0.03 -2.32 -0.04 0.00 -0.71 0.00 0.00 54.79 51.69 3h06 n ASP 58 Cb 0.34 -0.50 -0.00 0.00 -1.35 0.00 0.00 41.12 39.61 3h06 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h06 n GLY 59 N 0.46 -0.43 3.71 6.12 0.00 -0.82 -4.90 105.19 109.32 3h06 n GLY 59 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3h06 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h06 s LYS 60 N -4.80 2.47 -0.12 1.61 1.02 -1.26 -4.99 119.74 113.67 3h06 s LYS 60 Ca 0.00 -1.35 -0.06 0.00 0.02 0.00 0.00 55.97 54.58 3h06 s LYS 60 Cb 0.00 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 3h06 s LYS 60 CO 0.00 0.33 0.04 1.88 -0.92 0.00 0.00 175.35 176.67 3h06 h TYR 61 N 1.72 0.00 0.00 3.18 0.05 -1.91 -2.77 116.97 117.25 3h06 h TYR 61 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3h06 h TYR 61 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 3h06 h TYR 61 CO 0.64 0.16 0.00 0.41 -1.05 0.00 0.00 178.16 178.32 3h06 n GLY 62 N 1.71 1.25 3.14 3.88 0.00 -1.26 -0.16 105.19 113.75 3h06 n GLY 62 Ca -0.04 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 3h06 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h06 s ALA 63 N 0.00 0.81 -0.22 4.61 0.00 -1.26 -4.92 121.76 120.78 3h06 s ALA 63 Ca 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 50.59 3h06 s ALA 63 Cb 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3h06 s ALA 63 CO 0.00 -0.29 0.03 0.50 0.00 0.00 0.00 175.76 176.00 3h06 s ARG 64 N -3.87 3.68 0.19 0.00 3.52 -1.26 -1.47 118.95 119.74 3h06 s ARG 64 Ca 0.10 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 54.91 3h06 s ARG 64 Cb 0.06 -3.19 -0.10 0.00 -1.56 0.00 0.00 34.95 30.16 3h06 s ARG 64 CO -0.07 -0.02 1.56 0.34 -0.81 0.00 0.00 175.30 176.30 3h06 s ASP 65 N 1.13 6.57 0.44 -2.12 -1.08 -0.39 -4.90 116.67 116.32 3h06 s ASP 65 Ca 0.03 2.66 0.13 0.00 -0.52 0.00 0.00 52.55 54.85 3h06 s ASP 65 Cb -0.14 -2.60 0.98 0.00 -1.46 0.00 0.00 42.92 39.69 3h06 s ASP 65 CO 0.02 -0.82 2.00 0.00 0.52 0.00 0.00 175.17 176.89 3h06 h ALA 66 N 6.39 1.69 0.00 3.66 0.00 -1.96 0.12 119.26 129.17 3h06 h ALA 66 Ca -0.43 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3h06 h ALA 66 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h06 h ALA 66 CO 0.89 0.23 -0.00 -0.44 0.00 0.00 0.00 179.25 179.92 3h06 h ASP 67 N 0.08 0.00 0.77 0.00 5.19 -1.98 -3.39 116.42 117.10 3h06 h ASP 67 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3h06 h ASP 67 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 3h06 h ASP 67 CO 0.02 0.01 0.00 0.35 -3.12 0.00 0.00 179.24 176.49 3h06 n THR 68 N -2.07 0.79 -0.93 0.35 -2.24 -1.25 -4.85 114.28 104.08 3h06 n THR 68 Ca -0.00 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3h06 n THR 68 Cb 0.00 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 3h06 n THR 68 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3h06 n LYS 69 N -1.97 -1.43 -3.19 -0.78 4.01 0.43 -4.94 118.16 110.30 3h06 n LYS 69 Ca 0.03 0.36 -0.39 0.00 -0.51 0.00 0.00 58.31 57.80 3h06 n LYS 69 Cb 0.24 -4.63 -0.06 0.00 -0.51 0.00 0.00 35.03 30.08 3h06 n LYS 69 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3h06 s ILE 70 N -1.19 4.73 -0.04 -0.18 1.01 -1.25 -4.67 121.20 119.60 3h06 s ILE 70 Ca 0.00 1.32 -0.22 0.00 0.00 0.00 0.00 60.65 61.76 3h06 s ILE 70 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 3h06 s ILE 70 CO 0.00 0.50 0.63 0.26 0.00 0.00 0.00 174.94 176.34 3h06 s TRP 71 N -0.80 3.63 0.00 3.97 0.52 -1.26 -1.26 118.94 123.74 3h06 s TRP 71 Ca 0.31 1.21 0.00 0.00 0.02 0.00 0.00 56.10 57.64 3h06 s TRP 71 Cb -0.20 -2.69 0.00 0.00 -1.15 0.00 0.00 33.47 29.43 3h06 s TRP 71 CO 0.20 0.23 0.00 0.27 0.02 0.00 0.00 176.95 177.67 3h06 n ASN 72 N 3.23 0.10 0.00 2.95 0.23 -0.54 -4.28 115.26 116.94 3h06 n ASN 72 Ca -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 3h06 n ASN 72 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 3h06 n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h06 n GLY 73 N 5.00 0.93 0.16 4.83 0.00 -1.26 0.15 105.19 115.00 3h06 n GLY 73 Ca 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.48 3h06 n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3h06 h MET 74 N 0.00 0.00 -0.39 1.61 2.86 -0.24 -2.82 114.93 115.95 3h06 h MET 74 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 3h06 h MET 74 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3h06 h MET 74 CO 0.00 0.37 -0.29 0.28 1.06 0.00 0.00 176.91 178.33 3h06 h VAL 75 N 0.00 1.28 -0.47 -2.22 2.07 -1.50 -2.48 116.25 112.93 3h06 h VAL 75 Ca -0.00 -1.44 -0.12 0.00 0.82 0.00 0.00 66.70 65.96 3h06 h VAL 75 Cb 1.26 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3h06 h VAL 75 CO 0.05 0.48 -0.17 1.23 0.02 0.00 0.00 177.57 179.18 3h06 h GLY 76 N 0.92 0.98 1.09 2.17 0.00 -0.23 -0.42 103.07 107.57 3h06 h GLY 76 Ca 0.08 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3h06 h GLY 76 CO 0.07 0.74 0.59 0.83 0.00 0.00 0.00 176.54 178.77 3h06 h GLU 77 N 0.80 1.22 0.01 4.80 5.08 -1.28 0.17 114.58 125.38 3h06 h GLU 77 Ca 0.12 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3h06 h GLU 77 Cb 0.71 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.70 3h06 h GLU 77 CO 0.05 0.82 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.32 3h06 h LEU 78 N 1.25 0.41 -0.09 1.33 3.38 -1.32 0.40 115.31 120.67 3h06 h LEU 78 Ca 0.33 -0.79 0.03 0.00 0.09 0.00 0.00 57.88 57.54 3h06 h LEU 78 Cb -0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3h06 h LEU 78 CO -0.07 1.15 -0.12 0.58 0.09 0.00 0.00 178.44 180.08 3h06 h VAL 79 N -0.28 0.68 -0.58 1.22 2.07 -0.78 -2.92 116.25 115.66 3h06 h VAL 79 Ca -0.07 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.09 3h06 h VAL 79 Cb 1.24 0.68 -0.17 0.00 -1.52 0.00 0.00 31.29 31.52 3h06 h VAL 79 CO 0.10 0.00 0.47 -1.22 0.02 0.00 0.00 177.57 176.94 3h06 n TYR 80 N -5.26 1.86 -3.86 1.57 4.01 0.58 -4.90 117.16 111.16 3h06 n TYR 80 Ca -0.04 -1.91 -0.38 0.00 -0.16 0.00 0.00 57.90 55.41 3h06 n TYR 80 Cb 0.18 -0.94 0.03 0.00 -0.31 0.00 0.00 39.34 38.30 3h06 n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h06 n GLY 81 N -0.09 -0.94 0.00 2.72 0.00 -1.10 -4.89 105.19 100.89 3h06 n GLY 81 Ca 0.36 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3h06 n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h06 n LYS 82 N -4.51 2.25 -3.95 1.61 5.02 0.13 -5.04 118.16 113.67 3h06 n LYS 82 Ca -0.10 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.09 3h06 n LYS 82 Cb 0.58 -0.78 -0.10 0.00 -0.02 0.00 0.00 35.03 34.71 3h06 n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h06 s ALA 83 N -1.39 0.01 -0.18 7.82 0.00 -0.57 -4.96 121.76 122.49 3h06 s ALA 83 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 3h06 s ALA 83 Cb 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 23.12 23.09 3h06 s ALA 83 CO 0.00 -0.24 0.11 -0.25 0.00 0.00 0.00 175.76 175.38 3h06 n ASP 84 N 1.13 2.04 -4.05 0.00 8.00 0.33 -4.45 116.55 119.55 3h06 n ASP 84 Ca -0.21 0.13 -0.09 0.00 0.71 0.00 0.00 54.79 55.33 3h06 n ASP 84 Cb 0.57 -0.73 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 3h06 n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3h06 s ILE 85 N -2.52 0.27 -0.31 0.53 2.07 -1.01 -4.12 121.20 116.10 3h06 s ILE 85 Ca -0.28 -1.39 -0.00 0.00 -1.41 0.00 0.00 60.65 57.57 3h06 s ILE 85 Cb 0.08 -0.94 0.10 0.00 0.13 0.00 0.00 42.46 41.83 3h06 s ILE 85 CO 0.68 -0.72 0.09 0.00 -1.91 0.00 0.00 174.94 173.09 3h06 s ALA 86 N -2.62 1.63 -0.48 1.50 0.00 0.39 -0.03 121.76 122.15 3h06 s ALA 86 Ca -0.03 -1.74 -0.15 0.00 0.00 0.00 0.00 51.96 50.04 3h06 s ALA 86 Cb -0.02 -1.65 0.09 0.00 0.00 0.00 0.00 23.12 21.54 3h06 s ALA 86 CO -0.05 -1.67 0.41 0.42 0.00 0.00 0.00 175.76 174.87 3h06 s ILE 87 N 1.56 5.13 0.07 0.00 1.01 -0.74 -2.43 121.20 125.80 3h06 s ILE 87 Ca 0.10 -1.20 -0.26 0.00 0.00 0.00 0.00 60.65 59.29 3h06 s ILE 87 Cb -0.17 -4.13 0.09 0.00 0.01 0.00 0.00 42.46 38.26 3h06 s ILE 87 CO -0.24 -0.64 1.18 0.00 0.00 0.00 0.00 174.94 175.24 3h06 s ALA 88 N 1.61 -2.09 -1.14 9.38 0.00 -1.26 -4.47 121.76 123.79 3h06 s ALA 88 Ca 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 3h06 s ALA 88 Cb -0.26 0.80 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 3h06 s ALA 88 CO 0.05 -1.11 2.37 -2.30 0.00 0.00 0.00 175.76 174.77 3h06 n PRO 89 N -0.79 2.57 -3.09 0.00 -0.02 -1.26 -4.67 135.00 127.75 3h06 n PRO 89 Ca 0.00 -1.72 -0.40 0.00 -2.02 0.00 0.00 63.50 59.36 3h06 n PRO 89 Cb 0.59 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3h06 n PRO 89 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h06 s LEU 90 N 0.20 4.21 0.41 2.45 1.43 -1.26 -4.99 118.68 121.13 3h06 s LEU 90 Ca 0.49 0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 54.34 3h06 s LEU 90 Cb 0.13 -2.97 -0.10 0.00 0.03 0.00 0.00 46.19 43.29 3h06 s LEU 90 CO -0.04 -0.21 1.00 -0.89 0.23 0.00 0.00 176.35 176.45 3h06 s THR 91 N 1.46 3.98 -0.23 5.49 2.01 -1.26 -1.37 115.64 125.72 3h06 s THR 91 Ca 0.32 1.42 -0.24 0.00 0.31 0.00 0.00 61.69 63.50 3h06 s THR 91 Cb -0.16 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 3h06 s THR 91 CO 0.13 -0.09 0.82 -0.63 -0.69 0.00 0.00 174.62 174.16 3h06 s ILE 92 N -1.83 4.85 0.01 1.82 1.01 -0.65 -4.80 121.20 121.62 3h06 s ILE 92 Ca 0.59 1.56 -0.00 0.00 0.00 0.00 0.00 60.65 62.80 3h06 s ILE 92 Cb -0.17 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 3h06 s ILE 92 CO 0.22 -0.05 -0.01 0.42 0.00 0.00 0.00 174.94 175.52 3h06 s THR 93 N 2.68 0.06 0.06 2.92 -4.23 -1.26 -4.85 115.64 111.02 3h06 s THR 93 Ca 0.35 -0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 60.23 3h06 s THR 93 Cb -0.16 -0.16 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 3h06 s THR 93 CO 0.08 -0.27 1.22 0.25 -0.54 0.00 0.00 174.62 175.36 3h06 h LEU 94 N 5.31 -0.84 -0.80 4.79 5.85 -1.97 0.35 115.31 127.99 3h06 h LEU 94 Ca -0.28 0.12 0.19 0.00 0.84 0.00 0.00 57.88 58.75 3h06 h LEU 94 Cb 1.21 0.36 -0.13 0.00 0.37 0.00 0.00 40.66 42.47 3h06 h LEU 94 CO 0.45 -0.12 0.14 -0.37 -0.34 0.00 0.00 178.44 178.20 3h06 h VAL 95 N -0.06 0.37 -0.16 1.05 -1.51 -1.99 0.72 116.25 114.67 3h06 h VAL 95 Ca 0.05 -0.06 -0.05 0.00 -1.23 0.00 0.00 66.70 65.41 3h06 h VAL 95 Cb 0.19 0.17 -0.00 0.00 -2.13 0.00 0.00 31.29 29.52 3h06 h VAL 95 CO -0.33 0.03 -0.07 0.03 -1.23 0.00 0.00 177.57 176.00 3h06 h ARG 96 N 0.19 0.34 -0.30 5.19 3.08 -1.66 -2.77 114.38 118.44 3h06 h ARG 96 Ca 0.47 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 60.46 3h06 h ARG 96 Cb 0.87 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3h06 h ARG 96 CO -0.63 0.65 0.34 1.49 -1.07 0.00 0.00 179.97 180.75 3h06 h GLU 97 N 0.02 0.00 0.00 0.04 4.57 0.13 0.26 114.58 119.60 3h06 h GLU 97 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3h06 h GLU 97 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3h06 h GLU 97 CO 0.02 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.24 3h06 n GLU 98 N -3.73 0.18 0.00 1.92 1.02 0.08 -3.89 120.64 116.23 3h06 n GLU 98 Ca 0.05 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 3h06 n GLU 98 Cb 0.49 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3h06 n GLU 98 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3h06 n VAL 99 N -2.10 0.00 -3.87 2.62 0.24 0.74 -5.06 118.33 110.91 3h06 n VAL 99 Ca 0.04 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 3h06 n VAL 99 Cb 0.32 0.53 -0.13 0.00 -1.47 0.00 0.00 33.84 33.09 3h06 n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3h06 s ILE 100 N -1.24 0.01 0.42 1.34 -5.25 -0.09 -4.28 121.20 112.12 3h06 s ILE 100 Ca 0.00 -0.10 -0.23 0.00 -0.99 0.00 0.00 60.65 59.33 3h06 s ILE 100 Cb 0.00 -0.10 -0.09 0.00 2.95 0.00 0.00 42.46 45.22 3h06 s ILE 100 CO 0.00 -0.06 1.07 -1.81 -1.79 0.00 0.00 174.94 172.35 3h06 s ASP 101 N -0.15 6.61 -0.05 4.36 1.01 -0.82 -4.06 116.67 123.57 3h06 s ASP 101 Ca -0.02 2.07 0.05 0.00 0.71 0.00 0.00 52.55 55.36 3h06 s ASP 101 Cb -0.01 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3h06 s ASP 101 CO 0.00 -0.60 -0.20 -0.36 0.21 0.00 0.00 175.17 174.22 3h06 s PHE 102 N -1.68 1.99 0.73 4.23 0.08 -1.26 -2.39 117.98 119.67 3h06 s PHE 102 Ca 0.60 -0.59 -0.12 0.00 0.12 0.00 0.00 56.93 56.93 3h06 s PHE 102 Cb -0.22 -1.33 0.17 0.00 -0.57 0.00 0.00 43.02 41.07 3h06 s PHE 102 CO 0.28 -0.20 0.90 -1.13 -0.10 0.00 0.00 175.22 174.97 3h06 n SER 103 N 3.10 -0.36 -4.90 1.36 3.41 -0.79 -4.97 113.62 110.47 3h06 n SER 103 Ca -0.18 -1.25 -0.28 0.00 -0.26 0.00 0.00 58.87 56.90 3h06 n SER 103 Cb 0.53 -0.72 0.01 0.00 -0.26 0.00 0.00 64.21 63.77 3h06 n SER 103 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h06 s LYS 104 N -4.98 3.44 0.24 4.33 3.01 -1.26 -4.60 119.74 119.91 3h06 s LYS 104 Ca 0.52 0.31 -0.29 0.00 -1.01 0.00 0.00 55.97 55.50 3h06 s LYS 104 Cb -0.02 -2.28 -0.15 0.00 -1.01 0.00 0.00 37.83 34.37 3h06 s LYS 104 CO 0.38 -0.40 0.96 -0.35 0.51 0.00 0.00 175.35 176.45 3h06 n PRO 105 N -2.45 1.03 -0.15 -1.68 -0.04 -1.26 -4.60 135.00 125.84 3h06 n PRO 105 Ca 0.03 0.36 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 3h06 n PRO 105 Cb 0.55 -1.70 0.15 0.00 -0.04 0.00 0.00 33.50 32.47 3h06 n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3h06 n PHE 106 N 0.54 0.41 -3.48 0.54 1.16 -0.19 -4.88 117.46 111.55 3h06 n PHE 106 Ca 0.13 -0.33 0.01 0.00 -1.87 0.00 0.00 57.45 55.38 3h06 n PHE 106 Cb 0.28 -0.01 -0.04 0.00 -1.61 0.00 0.00 39.48 38.10 3h06 n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3h06 s MET 107 N -1.07 0.39 0.28 3.97 0.00 -1.25 -4.95 119.30 116.67 3h06 s MET 107 Ca 0.26 0.98 -0.08 0.00 0.00 0.00 0.00 55.69 56.85 3h06 s MET 107 Cb 0.15 0.59 -0.07 0.00 0.00 0.00 0.00 34.83 35.50 3h06 s MET 107 CO 0.20 -0.14 0.59 -1.12 0.00 0.00 0.00 175.02 174.55 3h06 s SER 108 N 2.61 6.56 0.14 1.11 0.01 -1.26 -2.11 113.70 120.76 3h06 s SER 108 Ca -0.04 0.90 -0.25 0.00 1.31 0.00 0.00 55.95 57.88 3h06 s SER 108 Cb -0.08 -2.22 0.07 0.00 0.21 0.00 0.00 66.02 63.99 3h06 s SER 108 CO -0.18 -0.17 0.84 -1.48 0.41 0.00 0.00 173.24 172.67 3h06 s LEU 109 N -3.21 -0.30 0.23 2.44 2.34 -1.05 -4.90 118.68 114.23 3h06 s LEU 109 Ca 0.47 -0.28 -0.19 0.00 0.06 0.00 0.00 54.13 54.19 3h06 s LEU 109 Cb -0.11 2.30 0.02 0.00 -0.56 0.00 0.00 46.19 47.84 3h06 s LEU 109 CO 0.25 -0.93 0.59 -0.83 -1.06 0.00 0.00 176.35 174.38 3h06 s GLY 110 N -2.79 -0.05 -0.00 -3.48 0.00 -1.25 0.11 107.32 99.86 3h06 s GLY 110 Ca 0.09 -0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 3h06 s GLY 110 CO -0.02 -0.22 1.46 -0.42 0.00 0.00 0.00 173.10 173.91 3h06 s ILE 111 N -3.90 3.61 0.13 0.90 1.01 -1.25 -2.07 121.20 119.62 3h06 s ILE 111 Ca 0.11 0.97 0.04 0.00 0.00 0.00 0.00 60.65 61.77 3h06 s ILE 111 Cb -0.03 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3h06 s ILE 111 CO 0.01 -0.02 -0.09 -0.94 0.00 0.00 0.00 174.94 173.90 3h06 s SER 112 N 2.13 1.59 0.23 3.58 1.04 -0.62 0.26 113.70 121.92 3h06 s SER 112 Ca 0.66 -0.98 -0.21 0.00 0.48 0.00 0.00 55.95 55.90 3h06 s SER 112 Cb -0.32 0.02 -0.08 0.00 0.10 0.00 0.00 66.02 65.73 3h06 s SER 112 CO 0.27 -0.35 0.76 -0.63 0.98 0.00 0.00 173.24 174.27 3h06 s ILE 113 N -3.26 4.49 -0.19 -1.02 1.01 -1.25 -2.94 121.20 118.04 3h06 s ILE 113 Ca 0.14 1.42 0.01 0.00 0.00 0.00 0.00 60.65 62.22 3h06 s ILE 113 Cb 0.02 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.61 3h06 s ILE 113 CO -0.01 0.24 -0.12 -0.32 0.00 0.00 0.00 174.94 174.74 3h06 s MET 114 N -1.87 2.16 0.25 2.79 -2.45 -0.39 -1.60 119.30 118.19 3h06 s MET 114 Ca 0.43 -0.81 0.07 0.00 -1.25 0.00 0.00 55.69 54.13 3h06 s MET 114 Cb -0.18 -2.39 -0.05 0.00 1.25 0.00 0.00 34.83 33.46 3h06 s MET 114 CO 0.22 -0.38 -0.08 0.96 1.05 0.00 0.00 175.02 176.79 3h06 s ILE 115 N 1.39 1.63 0.16 10.11 -4.36 -1.22 -1.40 121.20 127.50 3h06 s ILE 115 Ca 0.00 -2.15 -0.12 0.00 -0.26 0.00 0.00 60.65 58.12 3h06 s ILE 115 Cb -0.15 -2.32 -0.07 0.00 1.25 0.00 0.00 42.46 41.17 3h06 s ILE 115 CO -0.09 -0.39 0.52 -0.75 0.24 0.00 0.00 174.94 174.47 3h06 s LYS 116 N -3.71 3.88 -0.77 0.37 2.20 -1.26 -2.68 119.74 117.78 3h06 s LYS 116 Ca 0.27 0.36 -0.34 0.00 -0.36 0.00 0.00 55.97 55.91 3h06 s LYS 116 Cb 0.02 -2.87 -0.20 0.00 -1.51 0.00 0.00 37.83 33.28 3h06 s LYS 116 CO 0.10 0.45 2.35 1.63 -0.36 0.00 0.00 175.35 179.52 3h06 n LYS 117 N 0.56 0.00 0.00 4.03 5.02 0.43 -2.28 118.16 125.92 3h06 n LYS 117 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3h06 n LYS 117 Cb 0.52 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3h06 n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h06 n GLY 118 N 6.50 1.26 3.69 0.72 0.00 -1.26 -5.03 105.19 111.06 3h06 n GLY 118 Ca 0.58 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.19 3h06 n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h06 s THR 119 N -2.00 4.93 0.34 2.61 2.01 -0.97 -4.95 115.64 117.61 3h06 s THR 119 Ca 0.00 1.66 0.14 0.00 0.31 0.00 0.00 61.69 63.80 3h06 s THR 119 Cb 0.00 -4.15 0.37 0.00 0.01 0.00 0.00 72.50 68.73 3h06 s THR 119 CO 0.00 0.12 1.54 -2.65 -0.69 0.00 0.00 174.62 172.94 3h06 n PRO 120 N 4.52 -0.07 -1.68 4.92 -0.02 -1.26 -4.64 135.00 136.77 3h06 n PRO 120 Ca 0.03 1.39 -0.32 0.00 -2.02 0.00 0.00 63.50 62.58 3h06 n PRO 120 Cb 0.50 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3h06 n PRO 120 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3h06 s ILE 121 N -5.66 3.61 0.00 4.25 -5.25 -1.26 -4.97 121.20 111.91 3h06 s ILE 121 Ca -0.10 0.64 0.00 0.00 -0.99 0.00 0.00 60.65 60.20 3h06 s ILE 121 Cb 0.32 -3.21 0.00 0.00 2.95 0.00 0.00 42.46 42.52 3h06 s ILE 121 CO 0.76 -0.56 0.36 -1.84 -1.79 0.00 0.00 174.94 171.87 3h06 n GLU 122 N -2.73 0.00 -3.90 0.37 0.28 -1.26 -5.04 120.64 108.36 3h06 n GLU 122 Ca 0.09 -0.03 -0.09 0.00 -0.16 0.00 0.00 57.16 56.97 3h06 n GLU 122 Cb 0.53 0.02 -0.04 0.00 1.43 0.00 0.00 31.44 33.38 3h06 n GLU 122 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3h06 s SER 123 N -0.03 -0.18 0.39 -1.84 0.15 -1.26 -3.34 113.70 107.59 3h06 s SER 123 Ca 0.00 -0.73 0.28 0.00 0.70 0.00 0.00 55.95 56.20 3h06 s SER 123 Cb 0.00 0.63 1.15 0.00 -1.71 0.00 0.00 66.02 66.09 3h06 s SER 123 CO 0.00 -1.18 1.84 0.00 1.20 0.00 0.00 173.24 175.09 3h06 h ALA 124 N 2.17 1.00 0.00 5.45 0.00 -1.95 -2.93 119.26 123.01 3h06 h ALA 124 Ca -0.25 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3h06 h ALA 124 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3h06 h ALA 124 CO 0.32 0.00 -0.46 0.93 0.00 0.00 0.00 179.25 180.04 3h06 h GLU 125 N 0.00 0.00 -0.49 0.00 3.07 -1.95 -2.47 114.58 112.73 3h06 h GLU 125 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.00 3h06 h GLU 125 Cb 0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3h06 h GLU 125 CO 0.00 0.48 0.86 -0.44 -1.40 0.00 0.00 179.01 178.51 3h06 h ASP 126 N -1.00 0.00 0.02 1.42 5.19 -1.91 0.68 116.42 120.82 3h06 h ASP 126 Ca -0.09 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.05 3h06 h ASP 126 Cb 0.69 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 3h06 h ASP 126 CO -0.05 0.00 -1.49 0.18 -3.12 0.00 0.00 179.24 174.76 3h06 n LEU 127 N -3.11 2.00 0.10 1.55 4.77 -1.11 -3.81 117.00 117.39 3h06 n LEU 127 Ca 0.10 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.57 3h06 n LEU 127 Cb 1.03 -0.98 0.45 0.00 -2.33 0.00 0.00 43.42 41.59 3h06 n LEU 127 CO 0.17 0.40 0.84 -1.54 -1.33 0.00 0.00 177.39 175.93 3h06 n SER 128 N -4.26 0.53 -0.35 -1.43 3.41 0.12 -1.85 113.62 109.80 3h06 n SER 128 Ca -0.34 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.00 3h06 n SER 128 Cb 0.76 -0.74 0.12 0.00 -0.26 0.00 0.00 64.21 64.09 3h06 n SER 128 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h06 n LYS 129 N -2.07 0.93 -4.37 4.33 4.76 0.19 -4.93 118.16 117.00 3h06 n LYS 129 Ca 0.03 -0.71 -0.22 0.00 -2.87 0.00 0.00 58.31 54.54 3h06 n LYS 129 Cb 0.25 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 31.82 3h06 n LYS 129 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3h06 s GLN 130 N -2.55 1.07 -0.01 1.97 0.74 -0.77 -5.01 119.66 115.10 3h06 s GLN 130 Ca 0.19 -0.94 0.02 0.00 0.05 0.00 0.00 55.36 54.68 3h06 s GLN 130 Cb 0.18 -1.17 -0.03 0.00 1.10 0.00 0.00 33.01 33.09 3h06 s GLN 130 CO 0.59 0.28 0.03 2.41 -0.55 0.00 0.00 175.29 178.05 3h06 n THR 131 N 1.57 0.06 -0.03 -0.34 -1.04 -1.26 -4.68 114.28 108.55 3h06 n THR 131 Ca -0.19 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.05 61.66 3h06 n THR 131 Cb 0.54 -0.17 -0.07 0.00 -1.82 0.00 0.00 70.33 68.81 3h06 n THR 131 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3h06 h GLU 132 N 0.00 -0.34 -6.36 -2.82 4.81 -1.95 -3.33 114.58 104.59 3h06 h GLU 132 Ca -0.02 0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 3h06 h GLU 132 Cb 0.55 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 3h06 h GLU 132 CO 0.00 -0.22 0.83 0.42 -0.73 0.00 0.00 179.01 179.31 3h06 s ILE 133 N -4.77 4.46 0.76 2.32 1.01 -1.26 -4.94 121.20 118.77 3h06 s ILE 133 Ca -0.10 1.58 -0.10 0.00 0.00 0.00 0.00 60.65 62.02 3h06 s ILE 133 Cb 0.05 -4.44 0.06 0.00 0.01 0.00 0.00 42.46 38.14 3h06 s ILE 133 CO 0.40 -0.59 1.12 0.00 0.00 0.00 0.00 174.94 175.87 3h06 s ALA 134 N 3.79 2.84 -0.24 9.38 0.00 0.77 -4.90 121.76 133.40 3h06 s ALA 134 Ca 0.45 -0.69 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 3h06 s ALA 134 Cb -0.11 -2.86 0.14 0.00 0.00 0.00 0.00 23.12 20.29 3h06 s ALA 134 CO 0.19 -1.48 1.11 1.52 0.00 0.00 0.00 175.76 177.10 3h06 s TYR 135 N -3.44 -0.33 0.00 0.00 -0.85 -1.26 -2.23 117.35 109.24 3h06 s TYR 135 Ca 0.61 0.69 0.00 0.00 -0.52 0.00 0.00 57.07 57.84 3h06 s TYR 135 Cb -0.11 0.43 0.00 0.00 0.38 0.00 0.00 41.96 42.66 3h06 s TYR 135 CO 0.48 -0.22 0.00 0.41 -1.52 0.00 0.00 175.55 174.70 3h06 n GLY 136 N 1.36 2.74 2.38 5.49 0.00 -1.24 -4.82 105.19 111.09 3h06 n GLY 136 Ca -0.10 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 3h06 n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h06 n THR 137 N 0.00 0.00 -2.17 2.61 -2.24 -1.20 -2.20 114.28 109.08 3h06 n THR 137 Ca 0.00 -1.69 -0.42 0.00 -2.27 0.00 0.00 64.05 59.66 3h06 n THR 137 Cb 0.00 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 3h06 n THR 137 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3h06 s LEU 138 N 0.00 4.29 0.18 3.22 2.96 -1.26 -2.65 118.68 125.42 3h06 s LEU 138 Ca 0.15 2.08 -0.24 0.00 -0.22 0.00 0.00 54.13 55.90 3h06 s LEU 138 Cb 0.01 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.23 3h06 s LEU 138 CO 0.11 -0.82 1.56 -0.78 -1.32 0.00 0.00 176.35 175.10 3h06 h ASP 139 N 8.62 -1.56 -3.22 3.68 3.58 0.29 -3.30 116.42 124.52 3h06 h ASP 139 Ca -0.36 0.27 -0.75 0.00 0.42 0.00 0.00 57.03 56.62 3h06 h ASP 139 Cb 1.16 0.73 -0.24 0.00 1.72 0.00 0.00 39.33 42.70 3h06 h ASP 139 CO 0.94 -0.31 -0.29 -0.94 -2.88 0.00 0.00 179.24 175.76 3h06 s SER 140 N -5.25 6.10 -0.08 2.28 1.04 -1.26 -4.89 113.70 111.64 3h06 s SER 140 Ca -0.14 -1.60 -0.31 0.00 0.48 0.00 0.00 55.95 54.39 3h06 s SER 140 Cb 0.15 -2.17 0.11 0.00 0.10 0.00 0.00 66.02 64.21 3h06 s SER 140 CO 0.67 -0.74 1.37 -0.83 0.98 0.00 0.00 173.24 174.69 3h06 s GLY 141 N 3.03 -0.28 0.18 7.32 0.00 -1.24 -5.00 107.32 111.33 3h06 s GLY 141 Ca 0.04 0.34 0.08 0.00 0.00 0.00 0.00 44.72 45.18 3h06 s GLY 141 CO 0.04 5.01 1.40 1.48 0.00 0.00 0.00 173.10 181.04 3h06 h SER 142 N 2.00 0.00 -0.16 1.64 4.64 -1.95 -3.03 113.55 116.69 3h06 h SER 142 Ca -0.23 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3h06 h SER 142 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3h06 h SER 142 CO 0.30 0.86 0.09 0.74 -0.87 0.00 0.00 176.83 177.94 3h06 h THR 143 N 0.00 1.08 -0.52 2.95 2.02 -1.94 -1.64 112.91 114.85 3h06 h THR 143 Ca -0.01 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.04 3h06 h THR 143 Cb 1.52 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 68.80 3h06 h THR 143 CO 0.11 0.07 0.18 0.50 0.37 0.00 0.00 175.52 176.76 3h06 h LYS 144 N 0.18 0.35 0.00 6.66 3.11 -1.76 -1.56 116.57 123.55 3h06 h LYS 144 Ca 0.06 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.84 3h06 h LYS 144 Cb 0.04 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.18 3h06 h LYS 144 CO -0.01 0.23 -0.16 0.93 -2.81 0.00 0.00 179.45 177.63 3h06 h GLU 145 N 0.36 0.00 0.27 1.90 4.39 -1.36 -3.14 114.58 117.00 3h06 h GLU 145 Ca 0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3h06 h GLU 145 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3h06 h GLU 145 CO -0.26 0.16 -0.21 0.35 -1.16 0.00 0.00 179.01 177.90 3h06 h PHE 146 N 0.00 -0.57 -0.90 4.33 3.57 -0.31 -0.46 116.94 122.60 3h06 h PHE 146 Ca -0.00 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 3h06 h PHE 146 Cb 0.47 0.22 -0.13 0.00 2.79 0.00 0.00 35.95 39.29 3h06 h PHE 146 CO 0.00 -0.30 0.37 0.74 -2.23 0.00 0.00 178.31 176.90 3h06 h PHE 147 N -0.46 0.61 -0.36 0.41 0.04 -1.56 0.32 116.94 115.93 3h06 h PHE 147 Ca -0.04 0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.64 3h06 h PHE 147 Cb 0.39 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 3h06 h PHE 147 CO -0.07 -0.09 -0.33 -0.09 -0.60 0.00 0.00 178.31 177.13 3h06 h ARG 148 N 0.36 0.81 -0.01 1.51 2.43 -1.50 -3.01 114.38 114.97 3h06 h ARG 148 Ca 0.57 -0.39 -0.16 0.00 -0.81 0.00 0.00 59.98 59.19 3h06 h ARG 148 Cb 1.11 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3h06 h ARG 148 CO -0.56 1.02 -0.74 -0.09 -1.51 0.00 0.00 179.97 178.09 3h06 h ARG 149 N 0.68 0.06 -5.95 0.20 2.43 0.70 -3.47 114.38 109.04 3h06 h ARG 149 Ca 0.07 -0.06 -0.61 0.00 -0.81 0.00 0.00 59.98 58.58 3h06 h ARG 149 Cb 0.88 0.01 0.17 0.00 -0.42 0.00 0.00 29.97 30.61 3h06 h ARG 149 CO 0.08 0.77 -1.04 0.45 -1.51 0.00 0.00 179.97 178.71 3h06 n SER 150 N -3.70 -3.25 -0.02 -3.80 2.88 0.93 -4.94 113.62 101.72 3h06 n SER 150 Ca -0.02 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 3h06 n SER 150 Cb 0.71 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 3h06 n SER 150 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3h06 n LYS 151 N 1.41 1.11 -3.97 -1.46 4.76 -1.26 -4.86 118.16 113.89 3h06 n LYS 151 Ca 0.09 -0.91 -0.35 0.00 -2.87 0.00 0.00 58.31 54.27 3h06 n LYS 151 Cb 0.43 -0.70 -0.11 0.00 -1.84 0.00 0.00 35.03 32.82 3h06 n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3h06 s ILE 152 N -0.41 4.56 0.00 -0.18 1.01 -1.26 -4.99 121.20 119.93 3h06 s ILE 152 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3h06 s ILE 152 Cb 0.00 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.40 3h06 s ILE 152 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 174.94 175.36 3h06 n ALA 153 N 4.01 0.00 -0.51 9.38 0.00 -1.26 -0.29 120.51 131.85 3h06 n ALA 153 Ca -0.16 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.70 3h06 n ALA 153 Cb 0.52 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.72 3h06 n ALA 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h06 h VAL 154 N 0.00 0.19 0.03 0.00 2.07 -1.97 0.25 116.25 116.81 3h06 h VAL 154 Ca 0.00 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.23 3h06 h VAL 154 Cb 0.00 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3h06 h VAL 154 CO 0.00 0.01 -1.46 -0.26 0.02 0.00 0.00 177.57 175.88 3h06 h PHE 155 N 0.04 0.10 -0.58 1.57 0.04 -1.03 -2.50 116.94 114.58 3h06 h PHE 155 Ca 0.78 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 61.44 3h06 h PHE 155 Cb 2.90 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 41.02 3h06 h PHE 155 CO -0.00 1.10 0.21 0.22 -0.60 0.00 0.00 178.31 179.24 3h06 h ASP 156 N 0.01 0.81 0.07 2.17 3.58 0.50 0.48 116.42 124.05 3h06 h ASP 156 Ca -0.19 -0.18 -0.12 0.00 0.42 0.00 0.00 57.03 56.95 3h06 h ASP 156 Cb 1.94 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.76 3h06 h ASP 156 CO 0.11 0.77 -0.39 0.50 -2.88 0.00 0.00 179.24 177.35 3h06 h LYS 157 N 0.80 0.42 -0.22 0.28 1.63 -1.43 0.73 116.57 118.79 3h06 h LYS 157 Ca 0.19 -0.20 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 3h06 h LYS 157 Cb 0.23 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 3h06 h LYS 157 CO -0.01 0.75 -0.34 0.52 -3.45 0.00 0.00 179.45 176.92 3h06 h MET 158 N 0.35 0.46 0.37 1.90 2.86 -1.00 -2.53 114.93 117.34 3h06 h MET 158 Ca 0.03 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3h06 h MET 158 Cb 0.85 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.50 3h06 h MET 158 CO 0.07 0.75 -0.18 2.35 1.06 0.00 0.00 176.91 180.96 3h06 h TRP 159 N 0.39 -0.46 -1.08 -0.22 -0.00 -0.48 -2.22 115.95 111.87 3h06 h TRP 159 Ca 0.04 -0.01 0.43 0.00 -0.00 0.00 0.00 58.89 59.36 3h06 h TRP 159 Cb 0.79 0.15 -0.17 0.00 -0.00 0.00 0.00 29.16 29.93 3h06 h TRP 159 CO 0.03 -0.29 0.62 0.25 -0.00 0.00 0.00 178.44 179.05 3h06 n THR 160 N -4.47 -0.38 0.01 2.65 -2.24 0.21 0.60 114.28 110.67 3h06 n THR 160 Ca -0.06 1.96 -0.00 0.00 -2.27 0.00 0.00 64.05 63.68 3h06 n THR 160 Cb 0.20 -3.20 -0.00 0.00 -2.10 0.00 0.00 70.33 65.23 3h06 n THR 160 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3h06 h TYR 161 N 0.00 -0.02 -0.82 4.78 3.20 -1.44 -3.30 116.97 119.37 3h06 h TYR 161 Ca 0.85 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.79 3h06 h TYR 161 Cb 2.38 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 40.59 3h06 h TYR 161 CO -0.01 -0.01 0.50 0.52 -1.64 0.00 0.00 178.16 177.52 3h06 h MET 162 N -0.03 0.87 -1.11 1.82 2.86 -0.31 -2.18 114.93 116.86 3h06 h MET 162 Ca -0.00 -0.05 0.37 0.00 -2.06 0.00 0.00 59.70 57.96 3h06 h MET 162 Cb 0.02 -0.20 -0.14 0.00 0.06 0.00 0.00 31.60 31.34 3h06 h MET 162 CO 0.00 0.58 0.66 0.07 1.06 0.00 0.00 176.91 179.28 3h06 h ARG 163 N 0.90 0.19 0.00 1.72 0.11 0.04 -3.40 114.38 113.94 3h06 h ARG 163 Ca 0.37 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 60.30 3h06 h ARG 163 Cb 0.20 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 3h06 h ARG 163 CO -0.19 0.12 -0.10 -1.13 0.10 0.00 0.00 179.97 178.78 3h06 n SER 164 N -4.94 2.23 0.00 0.08 3.41 -0.82 -5.10 113.62 108.47 3h06 n SER 164 Ca 0.34 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 3h06 n SER 164 Cb 1.18 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 3h06 n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h06 n ALA 165 N -2.68 -1.06 -3.73 7.33 0.00 -1.25 -4.82 120.51 114.30 3h06 n ALA 165 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 3h06 n ALA 165 Cb 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 3h06 n ALA 165 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3h06 s GLU 166 N -5.68 0.89 -0.24 0.00 -1.05 -1.26 -4.08 118.70 107.28 3h06 s GLU 166 Ca 0.00 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.01 3h06 s GLU 166 Cb 0.00 0.29 -0.13 0.00 -0.44 0.00 0.00 34.13 33.85 3h06 s GLU 166 CO 0.00 -0.41 0.97 -2.30 0.95 0.00 0.00 175.26 174.47 3h06 n PRO 167 N -0.52 0.00 -1.40 -4.83 -0.02 -1.26 -5.05 135.00 121.92 3h06 n PRO 167 Ca -0.06 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 60.94 3h06 n PRO 167 Cb 0.61 -1.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.06 3h06 n PRO 167 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3h06 n SER 168 N 2.19 -1.33 -1.76 2.55 2.88 -1.26 -4.83 113.62 112.06 3h06 n SER 168 Ca 0.19 1.10 -0.01 0.00 -1.33 0.00 0.00 58.87 58.82 3h06 n SER 168 Cb -0.01 -0.95 0.29 0.00 -0.75 0.00 0.00 64.21 62.78 3h06 n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3h06 n VAL 169 N -0.08 2.45 -4.19 2.46 0.24 -1.26 -4.94 118.33 113.00 3h06 n VAL 169 Ca 0.17 -1.28 -0.30 0.00 -2.04 0.00 0.00 64.34 60.90 3h06 n VAL 169 Cb 0.26 -0.38 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 3h06 n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3h06 s PHE 170 N -2.54 2.83 0.30 6.34 0.08 -1.26 -3.26 117.98 120.47 3h06 s PHE 170 Ca 0.46 -0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.49 3h06 s PHE 170 Cb 0.36 -1.47 -0.06 0.00 -0.57 0.00 0.00 43.02 41.29 3h06 s PHE 170 CO 0.12 0.45 -0.10 0.14 -0.10 0.00 0.00 175.22 175.73 3h06 s VAL 171 N -1.28 2.02 -0.16 -0.44 -7.23 -1.09 -4.81 120.40 107.41 3h06 s VAL 171 Ca 0.23 -2.21 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 3h06 s VAL 171 Cb -0.11 -2.46 -0.23 0.00 0.56 0.00 0.00 36.38 34.14 3h06 s VAL 171 CO 0.16 -0.31 0.36 -0.09 -0.31 0.00 0.00 175.10 174.91 3h06 h ARG 172 N 2.21 0.10 -5.63 4.82 2.43 -1.96 0.78 114.38 117.14 3h06 h ARG 172 Ca -0.41 -0.18 -0.48 0.00 -0.81 0.00 0.00 59.98 58.11 3h06 h ARG 172 Cb 1.24 0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.72 3h06 h ARG 172 CO 0.67 1.09 -0.72 0.95 -1.51 0.00 0.00 179.97 180.44 3h06 s THR 173 N -2.41 1.81 0.17 0.20 -4.23 -1.26 -4.74 115.64 105.19 3h06 s THR 173 Ca -0.25 -2.22 -0.14 0.00 -1.18 0.00 0.00 61.69 57.90 3h06 s THR 173 Cb 0.05 -2.16 0.06 0.00 1.34 0.00 0.00 72.50 71.79 3h06 s THR 173 CO 0.67 -0.51 1.82 0.74 -0.54 0.00 0.00 174.62 176.80 3h06 h THR 174 N 2.46 1.06 -0.79 3.99 2.02 -2.00 -2.15 112.91 117.51 3h06 h THR 174 Ca -0.39 -0.21 0.18 0.00 0.77 0.00 0.00 66.41 66.77 3h06 h THR 174 Cb 1.23 0.39 -0.12 0.00 -1.74 0.00 0.00 68.15 67.91 3h06 h THR 174 CO 0.63 0.11 0.19 0.00 0.37 0.00 0.00 175.52 176.82 3h06 h ALA 175 N 1.22 1.04 -0.51 6.16 0.00 -2.00 0.13 119.26 125.31 3h06 h ALA 175 Ca 0.20 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3h06 h ALA 175 Cb 0.01 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3h06 h ALA 175 CO -0.09 -0.38 0.26 1.49 0.00 0.00 0.00 179.25 180.54 3h06 h GLU 176 N 0.25 0.71 -0.54 0.00 4.81 -1.81 0.34 114.58 118.33 3h06 h GLU 176 Ca 0.46 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 3h06 h GLU 176 Cb 0.83 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3h06 h GLU 176 CO -0.57 0.54 -0.08 0.78 -0.73 0.00 0.00 179.01 178.95 3h06 h GLY 177 N 0.81 1.09 1.02 1.92 0.00 -0.54 -1.12 103.07 106.25 3h06 h GLY 177 Ca 0.18 -0.85 -0.27 0.00 0.00 0.00 0.00 47.33 46.39 3h06 h GLY 177 CO -0.03 0.78 -1.17 -2.08 0.00 0.00 0.00 176.54 174.04 3h06 h VAL 178 N 0.90 1.37 -0.51 4.60 2.07 -1.12 -3.07 116.25 120.50 3h06 h VAL 178 Ca 0.15 -2.59 0.10 0.00 0.82 0.00 0.00 66.70 65.18 3h06 h VAL 178 Cb 0.64 3.05 -0.09 0.00 -1.52 0.00 0.00 31.29 33.37 3h06 h VAL 178 CO 0.04 0.76 -0.09 0.00 0.02 0.00 0.00 177.57 178.31 3h06 h ALA 179 N 0.15 0.38 0.30 1.67 0.00 -0.27 0.51 119.26 121.99 3h06 h ALA 179 Ca -0.20 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h06 h ALA 179 Cb 1.91 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 3h06 h ALA 179 CO 0.22 -0.43 -0.34 -0.09 0.00 0.00 0.00 179.25 178.61 3h06 h ARG 180 N 0.03 -0.65 -0.07 0.00 2.43 -1.29 -1.54 114.38 113.28 3h06 h ARG 180 Ca 0.25 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 3h06 h ARG 180 Cb 0.38 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 3h06 h ARG 180 CO -0.49 -0.44 -0.36 0.28 -1.51 0.00 0.00 179.97 177.45 3h06 h VAL 181 N -0.68 0.23 0.00 0.20 2.07 -1.06 -3.05 116.25 113.96 3h06 h VAL 181 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3h06 h VAL 181 Cb 0.63 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3h06 h VAL 181 CO -0.09 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.04 3h06 n ARG 182 N -5.43 0.00 -2.77 1.57 1.74 0.16 -3.63 116.66 108.31 3h06 n ARG 182 Ca -0.04 0.71 -0.43 0.00 -0.77 0.00 0.00 57.85 57.32 3h06 n ARG 182 Cb 0.34 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 3h06 n ARG 182 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3h06 s LYS 183 N -2.57 3.80 0.00 5.56 2.20 -0.60 -4.27 119.74 123.86 3h06 s LYS 183 Ca 0.00 -1.86 0.00 0.00 -0.36 0.00 0.00 55.97 53.75 3h06 s LYS 183 Cb 0.00 -5.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.13 3h06 s LYS 183 CO 0.00 -1.98 0.00 -1.13 -0.36 0.00 0.00 175.35 171.88 3h06 n SER 184 N 7.28 0.00 -1.13 1.43 3.41 -1.20 -4.69 113.62 118.71 3h06 n SER 184 Ca 0.34 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 59.10 3h06 n SER 184 Cb 0.47 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 3h06 n SER 184 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h06 n LYS 185 N 0.00 -2.27 -1.03 4.33 5.02 -1.26 -3.94 118.16 119.01 3h06 n LYS 185 Ca 0.00 1.54 -0.13 0.00 -2.02 0.00 0.00 58.31 57.69 3h06 n LYS 185 Cb 0.00 -2.78 -0.15 0.00 -0.02 0.00 0.00 35.03 32.08 3h06 n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h06 n GLY 186 N -3.45 3.14 0.06 0.72 0.00 -1.26 -4.17 105.19 100.24 3h06 n GLY 186 Ca 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.82 3h06 n GLY 186 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h06 n LYS 187 N 2.26 3.77 -3.61 1.61 -0.00 -1.25 -4.82 118.16 116.12 3h06 n LYS 187 Ca 0.42 -0.19 -0.16 0.00 -0.00 0.00 0.00 58.31 58.38 3h06 n LYS 187 Cb 0.86 -0.89 -0.14 0.00 -0.00 0.00 0.00 35.03 34.86 3h06 n LYS 187 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3h06 s TYR 188 N -1.46 -0.31 0.63 5.58 5.04 -1.24 0.27 117.35 125.86 3h06 s TYR 188 Ca 0.04 0.65 0.05 0.00 -2.44 0.00 0.00 57.07 55.37 3h06 s TYR 188 Cb 0.06 -0.20 0.10 0.00 0.35 0.00 0.00 41.96 42.27 3h06 s TYR 188 CO 0.25 -0.40 0.87 0.00 -1.34 0.00 0.00 175.55 174.93 3h06 s ALA 189 N 2.36 4.30 0.01 3.97 0.00 -0.95 -4.46 121.76 126.99 3h06 s ALA 189 Ca 0.04 -1.98 0.05 0.00 0.00 0.00 0.00 51.96 50.06 3h06 s ALA 189 Cb -0.13 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 3h06 s ALA 189 CO -0.09 -1.10 -0.14 -0.47 0.00 0.00 0.00 175.76 173.96 3h06 s TYR 190 N -2.86 1.26 -0.27 0.00 5.04 -0.50 -3.89 117.35 116.13 3h06 s TYR 190 Ca 0.64 -0.28 -0.06 0.00 -2.44 0.00 0.00 57.07 54.93 3h06 s TYR 190 Cb -0.06 -0.78 0.01 0.00 0.35 0.00 0.00 41.96 41.48 3h06 s TYR 190 CO 0.41 0.01 0.04 -0.51 -1.34 0.00 0.00 175.55 174.16 3h06 s LEU 191 N -0.67 3.57 0.00 6.97 1.43 -0.93 -1.26 118.68 127.79 3h06 s LEU 191 Ca 0.04 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 3h06 s LEU 191 Cb -0.06 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3h06 s LEU 191 CO 0.00 -0.14 0.00 0.00 0.23 0.00 0.00 176.35 176.44 3h06 n LEU 192 N 4.83 0.00 -4.84 1.79 -0.00 -1.15 -4.36 117.00 113.28 3h06 n LEU 192 Ca -0.15 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.50 3h06 n LEU 192 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.85 3h06 n LEU 192 CO 0.30 0.00 0.29 -1.61 -0.00 0.00 0.00 177.39 176.38 3h06 s GLU 193 N 0.76 4.05 0.12 1.47 0.41 -1.26 -1.58 118.70 122.67 3h06 s GLU 193 Ca 0.00 0.59 -0.25 0.00 -0.41 0.00 0.00 54.97 54.91 3h06 s GLU 193 Cb 0.00 -2.88 -0.05 0.00 -1.78 0.00 0.00 34.13 29.42 3h06 s GLU 193 CO 0.00 0.43 1.65 0.77 -0.49 0.00 0.00 175.26 177.62 3h06 h SER 194 N 3.40 -0.63 -0.77 -0.19 0.02 -1.74 0.21 113.55 113.86 3h06 h SER 194 Ca -0.48 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 60.72 3h06 h SER 194 Cb 1.19 0.26 -0.10 0.00 0.14 0.00 0.00 62.40 63.89 3h06 h SER 194 CO 0.66 -0.28 0.28 0.71 -1.14 0.00 0.00 176.83 177.06 3h06 h THR 195 N -0.33 0.59 0.01 -2.27 1.35 -1.91 0.80 112.91 111.16 3h06 h THR 195 Ca 0.06 -0.13 -0.23 0.00 -0.55 0.00 0.00 66.41 65.56 3h06 h THR 195 Cb 0.42 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 3h06 h THR 195 CO -0.21 0.07 -0.96 -0.03 -0.25 0.00 0.00 175.52 174.15 3h06 h MET 196 N 0.39 0.37 0.34 4.72 -1.53 -1.86 -2.94 114.93 114.42 3h06 h MET 196 Ca 0.44 -0.41 -0.02 0.00 -3.44 0.00 0.00 59.70 56.27 3h06 h MET 196 Cb 0.71 0.12 0.00 0.00 -0.55 0.00 0.00 31.60 31.88 3h06 h MET 196 CO -0.45 1.09 -0.16 -0.97 0.14 0.00 0.00 176.91 176.56 3h06 h ASN 197 N 0.20 -0.39 -0.01 1.39 -1.24 0.80 -2.88 115.58 113.45 3h06 h ASN 197 Ca -0.08 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.77 3h06 h ASN 197 Cb 1.60 0.10 -0.00 0.00 0.73 0.00 0.00 38.32 40.75 3h06 h ASN 197 CO 0.16 -0.00 0.01 -0.33 -1.29 0.00 0.00 177.43 175.98 3h06 h GLU 198 N -0.83 0.00 -0.01 6.67 5.08 0.43 -1.84 114.58 124.07 3h06 h GLU 198 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3h06 h GLU 198 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3h06 h GLU 198 CO 0.08 0.00 0.00 -0.92 -1.00 0.00 0.00 179.01 177.17 3h06 h TYR 199 N 0.00 0.02 0.17 4.33 3.20 -1.47 -3.03 116.97 120.19 3h06 h TYR 199 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3h06 h TYR 199 Cb 0.02 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3h06 h TYR 199 CO 0.00 0.20 -0.08 0.82 -1.64 0.00 0.00 178.16 177.46 3h06 h ILE 200 N -0.17 0.87 -1.29 1.81 1.08 -1.18 -2.40 117.51 116.23 3h06 h ILE 200 Ca 0.00 -0.16 0.37 0.00 -0.39 0.00 0.00 64.86 64.69 3h06 h ILE 200 Cb 0.19 0.97 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 3h06 h ILE 200 CO -0.00 0.04 1.18 -0.08 -0.69 0.00 0.00 178.15 178.60 3h06 h GLU 201 N -0.30 0.00 -0.75 2.37 4.81 -1.31 0.95 114.58 120.35 3h06 h GLU 201 Ca -0.02 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.76 3h06 h GLU 201 Cb 0.24 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 29.36 3h06 h GLU 201 CO 0.04 0.00 0.29 1.04 -0.73 0.00 0.00 179.01 179.65 3h06 n GLN 202 N -3.59 2.35 -4.34 1.92 1.13 -0.91 -4.87 117.38 109.07 3h06 n GLN 202 Ca 0.29 -3.26 -0.17 0.00 -1.94 0.00 0.00 57.00 51.91 3h06 n GLN 202 Cb 1.57 -2.09 -0.10 0.00 0.11 0.00 0.00 30.24 29.73 3h06 n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3h06 s ARG 203 N -3.44 1.42 0.38 -1.09 1.81 0.33 -1.58 118.95 116.78 3h06 s ARG 203 Ca 0.54 -1.76 -0.02 0.00 -1.72 0.00 0.00 55.73 52.77 3h06 s ARG 203 Cb 0.45 -0.44 -0.01 0.00 -0.45 0.00 0.00 34.95 34.50 3h06 s ARG 203 CO 0.04 -0.23 -0.10 1.63 -0.68 0.00 0.00 175.30 175.96 3h06 n LYS 204 N -0.48 0.00 -3.77 3.54 4.76 -1.26 -2.61 118.16 118.34 3h06 n LYS 204 Ca -0.02 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.12 3h06 n LYS 204 Cb 0.66 -0.69 -0.06 0.00 -1.84 0.00 0.00 35.03 33.10 3h06 n LYS 204 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3h06 n PRO 205 N 1.40 -1.07 -0.96 1.97 -0.02 -1.26 -4.55 135.00 130.52 3h06 n PRO 205 Ca -0.00 0.10 -0.15 0.00 -2.02 0.00 0.00 63.50 61.42 3h06 n PRO 205 Cb 0.05 -3.96 -0.06 0.00 -0.02 0.00 0.00 33.50 29.52 3h06 n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h06 n ASP 207 N 8.24 2.43 -4.91 0.00 5.75 -1.26 -5.00 116.55 121.80 3h06 n ASP 207 Ca 0.21 -0.25 -0.26 0.00 -0.01 0.00 0.00 54.79 54.48 3h06 n ASP 207 Cb 0.39 1.11 -0.00 0.00 -1.03 0.00 0.00 41.12 41.58 3h06 n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3h06 s THR 208 N -1.89 1.65 -0.30 2.12 -4.23 -1.26 -0.43 115.64 111.30 3h06 s THR 208 Ca -0.00 -1.48 -0.17 0.00 -1.18 0.00 0.00 61.69 58.85 3h06 s THR 208 Cb 0.03 -2.13 0.20 0.00 1.34 0.00 0.00 72.50 71.93 3h06 s THR 208 CO 0.16 0.00 1.24 0.00 -0.54 0.00 0.00 174.62 175.49 3h06 s MET 209 N -4.29 0.10 0.60 3.99 0.23 -1.09 -4.63 119.30 114.22 3h06 s MET 209 Ca 0.34 0.17 -0.19 0.00 -1.03 0.00 0.00 55.69 54.98 3h06 s MET 209 Cb -0.02 0.03 -0.04 0.00 -1.53 0.00 0.00 34.83 33.27 3h06 s MET 209 CO 0.21 -0.02 1.16 1.17 -2.03 0.00 0.00 175.02 175.51 3h06 n LYS 210 N 2.95 1.13 -3.91 3.16 0.00 -1.26 -3.39 118.16 116.84 3h06 n LYS 210 Ca -0.16 0.43 -0.10 0.00 0.00 0.00 0.00 58.31 58.48 3h06 n LYS 210 Cb 0.56 -2.37 -0.09 0.00 0.00 0.00 0.00 35.03 33.14 3h06 n LYS 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3h06 s VAL 211 N -1.42 0.13 0.05 3.15 0.11 -0.63 -4.94 120.40 116.85 3h06 s VAL 211 Ca 0.77 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 3h06 s VAL 211 Cb -0.41 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 3h06 s VAL 211 CO 0.45 -0.58 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 3h06 n GLY 212 N 0.75 -1.34 0.94 6.54 0.00 -1.21 -3.81 105.19 107.06 3h06 n GLY 212 Ca -0.19 -1.12 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 3h06 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h06 n GLY 213 N -0.69 1.58 3.84 -0.02 0.00 -1.26 -4.91 105.19 103.73 3h06 n GLY 213 Ca 0.00 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 3h06 n GLY 213 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h06 s ASN 214 N -1.90 6.80 0.09 1.61 0.01 -1.26 -4.55 114.94 115.75 3h06 s ASN 214 Ca 0.15 1.42 0.24 0.00 -0.71 0.00 0.00 52.86 53.96 3h06 s ASN 214 Cb -0.01 -2.43 0.40 0.00 0.41 0.00 0.00 41.25 39.62 3h06 s ASN 214 CO 0.10 -0.29 1.36 0.18 -1.51 0.00 0.00 177.10 176.94 3h06 n LEU 215 N -0.57 0.64 0.00 0.60 4.77 0.73 -4.90 117.00 118.28 3h06 n LEU 215 Ca 0.05 0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 3h06 n LEU 215 Cb 0.54 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3h06 n LEU 215 CO 0.41 -0.02 0.35 -0.90 -1.33 0.00 0.00 177.39 175.89 3h06 n ASP 216 N -1.98 -1.53 -3.66 -1.43 5.75 -1.26 -4.87 116.55 107.56 3h06 n ASP 216 Ca 0.04 -2.09 -0.27 0.00 -0.01 0.00 0.00 54.79 52.45 3h06 n ASP 216 Cb 0.42 2.56 -0.16 0.00 -1.03 0.00 0.00 41.12 42.91 3h06 n ASP 216 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3h06 s SER 217 N -2.41 2.83 0.00 -1.12 1.04 -1.26 -3.82 113.70 108.96 3h06 s SER 217 Ca 0.11 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.70 3h06 s SER 217 Cb -0.03 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.64 3h06 s SER 217 CO 0.08 -0.35 0.00 0.29 0.98 0.00 0.00 173.24 174.25 3h06 n LYS 218 N 5.15 2.62 -3.65 4.02 5.02 0.30 -4.97 118.16 126.65 3h06 n LYS 218 Ca -0.07 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.19 3h06 n LYS 218 Cb 0.47 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.41 3h06 n LYS 218 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3h06 s GLY 219 N -0.82 0.37 -0.03 0.72 0.00 -1.26 -2.53 107.32 103.77 3h06 s GLY 219 Ca 0.00 3.53 -0.15 0.00 0.00 0.00 0.00 44.72 48.10 3h06 s GLY 219 CO 0.00 1.89 0.41 -0.19 0.00 0.00 0.00 173.10 175.21 3h06 s TYR 220 N -0.07 3.68 0.30 1.90 2.02 -0.90 -1.63 117.35 122.65 3h06 s TYR 220 Ca 0.08 0.95 0.05 0.00 -0.37 0.00 0.00 57.07 57.78 3h06 s TYR 220 Cb -0.05 -2.33 -0.06 0.00 -0.40 0.00 0.00 41.96 39.12 3h06 s TYR 220 CO -0.16 0.54 0.00 0.20 -1.57 0.00 0.00 175.55 174.57 3h06 s GLY 221 N -0.70 1.96 -0.11 0.71 0.00 -0.47 -1.02 107.32 107.68 3h06 s GLY 221 Ca 0.23 -1.99 -0.21 0.00 0.00 0.00 0.00 44.72 42.75 3h06 s GLY 221 CO 0.12 -1.84 0.63 -0.42 0.00 0.00 0.00 173.10 171.59 3h06 s ILE 222 N -3.14 5.08 -0.02 0.90 1.01 -1.26 -4.38 121.20 119.38 3h06 s ILE 222 Ca 0.33 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.24 3h06 s ILE 222 Cb 0.07 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3h06 s ILE 222 CO 0.14 0.24 -0.00 0.00 0.00 0.00 0.00 174.94 175.31 3h06 s ALA 223 N 1.03 3.26 0.04 9.38 0.00 -1.02 -1.88 121.76 132.57 3h06 s ALA 223 Ca 0.32 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 3h06 s ALA 223 Cb -0.17 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 3h06 s ALA 223 CO 0.14 0.63 -0.03 0.95 0.00 0.00 0.00 175.76 177.45 3h06 s THR 224 N -1.03 0.20 0.41 0.00 -4.23 -1.01 -0.47 115.64 109.51 3h06 s THR 224 Ca 0.18 -1.39 -0.26 0.00 -1.18 0.00 0.00 61.69 59.03 3h06 s THR 224 Cb -0.11 -0.94 -0.09 0.00 1.34 0.00 0.00 72.50 72.69 3h06 s THR 224 CO 0.08 -0.76 1.42 -2.84 -0.54 0.00 0.00 174.62 171.98 3h06 s PRO 225 N -2.76 3.91 0.20 3.99 0.02 -1.26 -1.95 135.00 137.15 3h06 s PRO 225 Ca -0.04 2.41 -0.32 0.00 0.02 0.00 0.00 61.00 63.07 3h06 s PRO 225 Cb -0.01 -2.80 -0.12 0.00 0.02 0.00 0.00 34.50 31.59 3h06 s PRO 225 CO -0.06 -0.63 1.73 1.63 -0.33 0.00 0.00 177.00 179.34 3h06 n LYS 226 N 0.13 2.76 -0.57 5.54 5.02 -1.26 -2.06 118.16 127.73 3h06 n LYS 226 Ca 0.03 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 3h06 n LYS 226 Cb 0.41 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 3h06 n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h06 n GLY 227 N 3.97 0.81 3.86 0.72 0.00 -1.26 -5.04 105.19 108.24 3h06 n GLY 227 Ca 0.16 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3h06 n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h06 s SER 228 N -2.48 6.74 0.12 1.61 0.15 -0.87 -4.96 113.70 114.00 3h06 s SER 228 Ca 0.00 1.08 0.26 0.00 0.70 0.00 0.00 55.95 57.98 3h06 s SER 228 Cb 0.00 -2.29 0.96 0.00 -1.71 0.00 0.00 66.02 62.99 3h06 s SER 228 CO 0.00 -0.06 1.79 -1.54 1.20 0.00 0.00 173.24 174.63 3h06 n SER 229 N 0.09 0.42 0.12 5.45 3.41 -1.26 -3.20 113.62 118.65 3h06 n SER 229 Ca -0.00 0.55 -0.24 0.00 -0.26 0.00 0.00 58.87 58.92 3h06 n SER 229 Cb 0.52 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 3h06 n SER 229 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3h06 h LEU 230 N 0.00 0.82 -0.06 1.04 3.38 -1.95 -3.41 115.31 115.13 3h06 h LEU 230 Ca 0.00 -0.90 0.01 0.00 0.09 0.00 0.00 57.88 57.08 3h06 h LEU 230 Cb 0.55 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3h06 h LEU 230 CO 0.00 1.65 -0.04 0.61 0.09 0.00 0.00 178.44 180.76 3h06 n GLY 231 N 1.62 -0.60 0.18 0.83 0.00 -1.19 -0.23 105.19 105.79 3h06 n GLY 231 Ca -0.16 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3h06 n GLY 231 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h06 h ASN 232 N 0.00 0.50 0.63 1.61 4.21 -1.82 -2.08 115.58 118.63 3h06 h ASN 232 Ca 0.01 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.31 3h06 h ASN 232 Cb 0.03 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.08 3h06 h ASN 232 CO -0.06 0.55 -0.47 0.00 -1.29 0.00 0.00 177.43 176.16 3h06 h ALA 233 N 0.97 -1.13 -0.22 -0.83 0.00 -1.00 0.17 119.26 117.23 3h06 h ALA 233 Ca 0.12 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3h06 h ALA 233 Cb 0.21 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 3h06 h ALA 233 CO -0.01 -1.16 -0.40 0.28 0.00 0.00 0.00 179.25 177.96 3h06 h VAL 234 N -1.06 0.17 -0.82 0.00 2.07 -0.63 0.03 116.25 116.01 3h06 h VAL 234 Ca -0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 3h06 h VAL 234 Cb 0.88 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 3h06 h VAL 234 CO 0.02 0.00 0.46 -1.13 0.02 0.00 0.00 177.57 176.94 3h06 h ASN 235 N -0.42 0.64 0.37 0.57 -1.24 -1.26 0.41 115.58 114.65 3h06 h ASN 235 Ca 0.10 0.05 -0.07 0.00 0.71 0.00 0.00 56.30 57.10 3h06 h ASN 235 Cb 0.60 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 3h06 h ASN 235 CO -0.44 0.36 -0.32 -0.07 -1.29 0.00 0.00 177.43 175.66 3h06 h LEU 236 N 0.76 0.00 0.56 0.34 3.38 0.27 -2.99 115.31 117.62 3h06 h LEU 236 Ca 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 3h06 h LEU 236 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 3h06 h LEU 236 CO -0.26 0.32 -0.27 0.00 0.09 0.00 0.00 178.44 178.33 3h06 h ALA 237 N 1.68 -1.11 -0.89 1.53 0.00 0.98 -1.97 119.26 119.47 3h06 h ALA 237 Ca -0.00 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.93 3h06 h ALA 237 Cb 0.60 0.29 -0.17 0.00 0.00 0.00 0.00 17.79 18.51 3h06 h ALA 237 CO 0.04 -1.06 -0.18 0.28 0.00 0.00 0.00 179.25 178.33 3h06 n VAL 238 N -4.17 -0.38 -0.28 0.00 0.31 -0.93 0.10 118.33 113.00 3h06 n VAL 238 Ca -0.09 2.03 -0.06 0.00 -0.01 0.00 0.00 64.34 66.21 3h06 n VAL 238 Cb 0.30 -2.84 0.06 0.00 -0.91 0.00 0.00 33.84 30.45 3h06 n VAL 238 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h06 h LEU 239 N 0.00 1.02 0.20 7.52 3.38 -1.45 -0.65 115.31 125.34 3h06 h LEU 239 Ca 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3h06 h LEU 239 Cb 0.73 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3h06 h LEU 239 CO -0.91 0.90 -0.10 0.50 0.09 0.00 0.00 178.44 178.93 3h06 h LYS 240 N 1.08 -0.26 -0.59 1.13 3.64 0.15 -1.82 116.57 119.89 3h06 h LYS 240 Ca 0.26 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 3h06 h LYS 240 Cb 0.18 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3h06 h LYS 240 CO -0.03 -0.07 0.39 -0.07 -2.27 0.00 0.00 179.45 177.41 3h06 h LEU 241 N -0.41 0.49 -0.65 5.20 3.38 -0.78 0.36 115.31 122.90 3h06 h LEU 241 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3h06 h LEU 241 Cb 0.31 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3h06 h LEU 241 CO 0.05 0.32 -0.66 -1.13 0.09 0.00 0.00 178.44 177.11 3h06 h ASN 242 N 0.56 0.10 1.73 -0.43 -1.24 -0.88 -0.87 115.58 114.55 3h06 h ASN 242 Ca 0.26 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.21 3h06 h ASN 242 Cb 0.30 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.32 3h06 h ASN 242 CO -0.08 0.73 -0.12 -0.33 -1.29 0.00 0.00 177.43 176.34 3h06 h GLU 243 N 0.06 0.00 0.20 6.67 5.08 -0.14 -3.11 114.58 123.34 3h06 h GLU 243 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 3h06 h GLU 243 Cb 1.17 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.44 3h06 h GLU 243 CO 0.09 0.00 -1.40 0.37 -1.00 0.00 0.00 179.01 177.07 3h06 h GLN 244 N 0.00 0.43 0.00 2.33 4.15 -0.07 -3.48 115.11 118.47 3h06 h GLN 244 Ca 0.00 -0.73 0.00 0.00 0.77 0.00 0.00 58.65 58.69 3h06 h GLN 244 Cb 0.93 0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3h06 h GLN 244 CO 0.00 1.35 0.00 0.41 -1.93 0.00 0.00 178.83 178.66 3h06 n GLY 245 N 1.65 0.74 0.24 2.39 0.00 -0.41 -4.99 105.19 104.81 3h06 n GLY 245 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.05 3h06 n GLY 245 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h06 h LEU 246 N 0.00 0.00 0.01 0.99 4.07 -1.62 -2.11 115.31 116.65 3h06 h LEU 246 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 3h06 h LEU 246 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3h06 h LEU 246 CO 0.00 0.00 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.17 3h06 h LEU 247 N 0.00 0.08 -1.43 1.67 3.38 -1.89 -2.17 115.31 114.95 3h06 h LEU 247 Ca 0.00 -0.88 -0.06 0.00 0.09 0.00 0.00 57.88 57.03 3h06 h LEU 247 Cb 0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3h06 h LEU 247 CO 0.00 0.96 -0.26 0.44 0.09 0.00 0.00 178.44 179.66 3h06 h ASP 248 N -0.78 0.03 0.63 -0.43 5.19 -1.88 0.16 116.42 119.34 3h06 h ASP 248 Ca -0.02 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 3h06 h ASP 248 Cb 0.98 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.49 3h06 h ASP 248 CO 0.02 0.30 -0.36 0.50 -3.12 0.00 0.00 179.24 176.58 3h06 h LYS 249 N 0.03 -0.88 -0.89 3.56 1.63 -1.39 -0.17 116.57 118.46 3h06 h LYS 249 Ca 0.00 0.06 0.13 0.00 -0.85 0.00 0.00 60.65 60.00 3h06 h LYS 249 Cb 0.48 0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 32.24 3h06 h LYS 249 CO 0.04 -0.59 0.57 -0.07 -3.45 0.00 0.00 179.45 175.95 3h06 h LEU 250 N -0.91 0.69 0.36 5.20 3.38 -0.95 -0.84 115.31 122.23 3h06 h LEU 250 Ca -0.08 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3h06 h LEU 250 Cb 0.72 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3h06 h LEU 250 CO 0.10 0.36 -0.23 0.50 0.09 0.00 0.00 178.44 179.26 3h06 h LYS 251 N 0.73 -0.55 -0.12 1.13 3.11 -0.38 -2.66 116.57 117.83 3h06 h LYS 251 Ca 0.44 0.04 0.03 0.00 -2.81 0.00 0.00 60.65 58.35 3h06 h LYS 251 Cb 0.66 0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.99 3h06 h LYS 251 CO -0.20 -0.37 -0.04 -0.97 -2.81 0.00 0.00 179.45 175.06 3h06 h ASN 252 N -0.57 -0.14 -0.27 4.20 -1.24 -0.25 -1.75 115.58 115.55 3h06 h ASN 252 Ca -0.04 0.04 0.06 0.00 0.71 0.00 0.00 56.30 57.07 3h06 h ASN 252 Cb 0.48 0.09 -0.08 0.00 0.73 0.00 0.00 38.32 39.54 3h06 h ASN 252 CO 0.03 -0.06 -0.38 0.50 -1.29 0.00 0.00 177.43 176.23 3h06 h LYS 253 N -0.02 -0.36 0.00 6.67 3.64 -1.04 0.56 116.57 126.02 3h06 h LYS 253 Ca 0.06 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3h06 h LYS 253 Cb 0.11 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3h06 h LYS 253 CO -0.14 -0.24 -0.14 -1.49 -2.27 0.00 0.00 179.45 175.17 3h06 h TRP 254 N -0.38 0.00 0.02 1.91 4.06 -1.45 -1.63 115.95 118.48 3h06 h TRP 254 Ca 0.12 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.70 3h06 h TRP 254 Cb 0.58 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.68 3h06 h TRP 254 CO -0.52 0.14 -2.26 0.91 -3.56 0.00 0.00 178.44 173.15 3h06 n TRP 255 N -3.14 0.32 0.00 0.49 8.01 -0.66 -4.55 117.44 117.91 3h06 n TRP 255 Ca 0.03 0.09 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 3h06 n TRP 255 Cb 0.58 -1.05 0.00 0.00 -2.01 0.00 0.00 31.31 28.83 3h06 n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3h06 n TYR 256 N -3.05 0.00 0.23 -5.99 4.01 0.18 -4.33 117.16 108.21 3h06 n TYR 256 Ca -0.34 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.49 3h06 n TYR 256 Cb 1.08 0.00 0.53 0.00 -0.31 0.00 0.00 39.34 40.63 3h06 n TYR 256 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3h06 h ASP 257 N 0.00 0.00 -0.84 7.72 3.32 -1.00 -1.41 116.42 124.21 3h06 h ASP 257 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3h06 h ASP 257 Cb 0.83 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.06 3h06 h ASP 257 CO 0.00 0.22 0.13 0.29 -1.72 0.00 0.00 179.24 178.16 3h06 n LYS 258 N -3.54 2.93 -2.65 3.56 5.02 -0.63 -5.00 118.16 117.85 3h06 n LYS 258 Ca -0.01 -3.60 -0.41 0.00 -2.02 0.00 0.00 58.31 52.28 3h06 n LYS 258 Cb 0.38 -2.23 -0.04 0.00 -0.02 0.00 0.00 35.03 33.11 3h06 n LYS 258 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3h06 s GLY 259 N -2.55 2.95 0.00 0.72 0.00 -0.53 -4.88 107.32 103.03 3h06 s GLY 259 Ca 0.57 0.67 0.27 0.00 0.00 0.00 0.00 44.72 46.23 3h06 s GLY 259 CO 0.01 1.52 1.63 1.18 0.00 0.00 0.00 173.10 177.45 3h06 n GLU 260 N 2.57 0.20 0.00 2.90 1.02 -0.62 -5.03 120.64 121.68 3h06 n GLU 260 Ca 0.02 -0.09 0.03 0.00 -0.02 0.00 0.00 57.16 57.10 3h06 n GLU 260 Cb 0.48 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.42 3h06 n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31