#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h21 s TRP 3 N 0.00 3.59 -0.77 5.64 0.52 -1.26 -4.98 118.94 121.68 3h21 s TRP 3 Ca 0.00 0.86 0.13 0.00 0.02 0.00 0.00 56.10 57.11 3h21 s TRP 3 Cb 0.00 -2.39 0.63 0.00 -1.15 0.00 0.00 33.47 30.56 3h21 s TRP 3 CO 0.00 0.39 1.48 -0.40 0.02 0.00 0.00 176.95 178.44 3h21 n ASP 4 N 2.86 4.42 -4.06 2.95 3.85 -1.26 -4.91 116.55 120.41 3h21 n ASP 4 Ca -0.11 -2.57 -0.10 0.00 -0.71 0.00 0.00 54.79 51.29 3h21 n ASP 4 Cb 0.52 -0.59 -0.08 0.00 -1.35 0.00 0.00 41.12 39.62 3h21 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h21 s TYR 5 N -2.13 0.65 0.06 2.11 -0.85 -1.26 -5.17 117.35 110.75 3h21 s TYR 5 Ca 0.43 -0.97 0.04 0.00 -0.52 0.00 0.00 57.07 56.05 3h21 s TYR 5 Cb 0.30 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 3h21 s TYR 5 CO 0.16 -0.76 -0.01 -0.51 -1.52 0.00 0.00 175.55 172.92 3h21 s ASP 6 N -3.04 5.00 -0.30 -0.18 1.01 -1.26 -4.52 116.67 113.37 3h21 s ASP 6 Ca 0.25 -0.14 -0.29 0.00 0.71 0.00 0.00 52.55 53.08 3h21 s ASP 6 Cb 0.04 -1.21 -0.00 0.00 1.01 0.00 0.00 42.92 42.75 3h21 s ASP 6 CO 0.06 0.21 1.41 -0.22 0.21 0.00 0.00 175.17 176.84 3h21 s LEU 7 N -2.07 3.82 -0.29 1.23 0.20 0.51 -4.88 118.68 117.20 3h21 s LEU 7 Ca 0.24 1.24 -0.16 0.00 0.69 0.00 0.00 54.13 56.13 3h21 s LEU 7 Cb -0.12 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.08 3h21 s LEU 7 CO 0.16 -1.20 0.44 -0.13 -0.29 0.00 0.00 176.35 175.32 3h21 s ARG 8 N 4.47 3.92 -0.48 1.98 1.81 -1.26 -0.36 118.95 129.02 3h21 s ARG 8 Ca 0.61 0.05 0.07 0.00 -1.72 0.00 0.00 55.73 54.74 3h21 s ARG 8 Cb -0.18 -3.70 0.25 0.00 -0.45 0.00 0.00 34.95 30.87 3h21 s ARG 8 CO 0.27 -0.39 0.61 0.00 -0.68 0.00 0.00 175.30 175.10 3h21 n GLY 10 N 1.20 4.03 0.20 0.00 0.00 -1.26 -1.31 105.19 108.05 3h21 n GLY 10 Ca 0.24 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.49 3h21 n GLY 10 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h21 h GLU 11 N 0.00 0.00 -6.72 1.61 5.08 -2.01 -3.44 114.58 109.09 3h21 h GLU 11 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 3h21 h GLU 11 Cb 0.00 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.06 3h21 h GLU 11 CO 0.00 0.00 -0.82 0.71 -1.00 0.00 0.00 179.01 177.90 3h21 s TYR 12 N -3.63 2.41 -0.06 4.33 1.51 -0.42 -5.14 117.35 116.35 3h21 s TYR 12 Ca -0.01 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3h21 s TYR 12 Cb 0.08 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 3h21 s TYR 12 CO 0.31 0.42 -0.11 0.99 -1.11 0.00 0.00 175.55 176.04 3h21 s THR 13 N -1.33 1.08 -0.24 -0.71 2.01 -1.26 -0.39 115.64 114.80 3h21 s THR 13 Ca 0.18 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 3h21 s THR 13 Cb -0.09 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 3h21 s THR 13 CO 0.09 0.34 0.04 -0.76 -0.69 0.00 0.00 174.62 173.65 3h21 s LEU 14 N 0.72 3.30 -0.23 4.42 1.43 0.51 -4.95 118.68 123.88 3h21 s LEU 14 Ca -0.14 -0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 3h21 s LEU 14 Cb -0.16 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3h21 s LEU 14 CO 0.03 -0.03 0.97 0.21 0.23 0.00 0.00 176.35 177.76 3h21 s ASN 15 N 1.58 7.02 0.00 2.29 3.84 -1.26 -0.36 114.94 128.05 3h21 s ASN 15 Ca 0.06 1.28 0.29 0.00 0.21 0.00 0.00 52.86 54.70 3h21 s ASN 15 Cb -0.15 -2.51 1.20 0.00 -0.55 0.00 0.00 41.25 39.24 3h21 s ASN 15 CO 0.02 -0.62 1.88 0.18 -2.79 0.00 0.00 177.10 175.78 3h21 n LEU 16 N 6.19 0.10 -0.12 3.21 4.77 -1.26 -4.06 117.00 125.82 3h21 n LEU 16 Ca 0.10 0.36 -0.16 0.00 -0.03 0.00 0.00 56.01 56.29 3h21 n LEU 16 Cb 0.47 -0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 41.02 3h21 n LEU 16 CO 0.51 0.02 -1.29 0.59 -1.33 0.00 0.00 177.39 175.88 3h21 n ASN 17 N -1.42 1.41 0.04 -1.43 3.02 -1.26 -4.65 115.26 110.97 3h21 n ASN 17 Ca 0.09 -0.10 -0.03 0.00 -0.03 0.00 0.00 54.58 54.50 3h21 n ASN 17 Cb 0.32 -0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.69 3h21 n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h21 h GLU 18 N 0.00 0.42 -2.48 3.52 4.11 -1.90 -3.46 114.58 114.79 3h21 h GLU 18 Ca -0.57 -0.17 0.09 0.00 0.07 0.00 0.00 59.36 58.77 3h21 h GLU 18 Cb 2.00 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 31.10 3h21 h GLU 18 CO -0.06 0.68 0.42 -1.59 0.07 0.00 0.00 179.01 178.54 3h21 s LYS 19 N -4.39 1.00 0.28 1.06 -2.85 -1.26 -4.88 119.74 108.70 3h21 s LYS 19 Ca -0.06 -0.40 -0.29 0.00 -1.00 0.00 0.00 55.97 54.21 3h21 s LYS 19 Cb 0.14 0.44 -0.10 0.00 -2.06 0.00 0.00 37.83 36.24 3h21 s LYS 19 CO 0.79 -0.44 1.38 0.99 0.10 0.00 0.00 175.35 178.16 3h21 s THR 20 N -3.31 2.72 -0.16 3.79 2.01 -1.26 -4.85 115.64 114.58 3h21 s THR 20 Ca 0.05 0.65 -0.10 0.00 0.31 0.00 0.00 61.69 62.60 3h21 s THR 20 Cb -0.01 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 3h21 s THR 20 CO -0.08 0.12 0.17 -0.76 -0.69 0.00 0.00 174.62 173.38 3h21 s LEU 21 N -0.94 4.27 -0.31 4.42 1.43 -0.18 -4.97 118.68 122.41 3h21 s LEU 21 Ca 0.55 0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 3h21 s LEU 21 Cb -0.41 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3h21 s LEU 21 CO 0.47 0.23 0.20 -0.63 0.23 0.00 0.00 176.35 176.85 3h21 s ILE 22 N -0.05 5.13 -0.34 -0.59 -1.09 -1.26 -1.37 121.20 121.62 3h21 s ILE 22 Ca 0.12 -0.12 -0.15 0.00 -2.23 0.00 0.00 60.65 58.27 3h21 s ILE 22 Cb -0.12 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3h21 s ILE 22 CO 0.01 0.11 0.38 -0.32 -1.23 0.00 0.00 174.94 173.89 3h21 s MET 23 N 1.71 3.59 -0.11 2.79 -2.45 0.20 -0.32 119.30 124.71 3h21 s MET 23 Ca 0.06 -0.37 -0.23 0.00 -1.25 0.00 0.00 55.69 53.90 3h21 s MET 23 Cb -0.17 -3.80 -0.03 0.00 1.25 0.00 0.00 34.83 32.08 3h21 s MET 23 CO 0.10 -0.52 0.69 0.20 1.05 0.00 0.00 175.02 176.53 3h21 s GLY 24 N 1.73 2.41 -0.32 2.11 0.00 0.62 -0.50 107.32 113.37 3h21 s GLY 24 Ca 0.12 0.01 -0.29 0.00 0.00 0.00 0.00 44.72 44.56 3h21 s GLY 24 CO 0.12 1.25 1.21 -0.42 0.00 0.00 0.00 173.10 175.25 3h21 s ILE 25 N 1.22 4.28 -0.25 0.90 1.01 -0.28 -0.83 121.20 127.26 3h21 s ILE 25 Ca 0.35 1.45 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 3h21 s ILE 25 Cb -0.17 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.02 3h21 s ILE 25 CO 0.15 -0.51 1.23 -0.22 0.00 0.00 0.00 174.94 175.59 3h21 s LEU 26 N 4.10 4.02 0.00 2.97 2.96 -0.40 -4.84 118.68 127.49 3h21 s LEU 26 Ca 0.52 1.38 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 3h21 s LEU 26 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3h21 s LEU 26 CO 0.21 -0.90 0.00 -3.20 -1.32 0.00 0.00 176.35 171.14 3h21 n ASN 27 N 7.04 0.00 0.00 3.68 4.05 -1.26 -4.52 115.26 124.25 3h21 n ASN 27 Ca 0.14 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.17 3h21 n ASN 27 Cb 0.46 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.47 3h21 n ASN 27 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3h21 n ASP 35 N 0.00 0.00 -0.29 1.20 5.75 -1.26 -4.95 116.55 117.00 3h21 n ASP 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3h21 n ASP 35 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3h21 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h21 n GLY 36 N 0.00 -0.39 0.00 6.12 0.00 -1.26 -4.86 105.19 104.80 3h21 n GLY 36 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3h21 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h21 n GLY 37 N 2.01 1.90 3.69 -0.02 0.00 -1.26 -4.80 105.19 106.71 3h21 n GLY 37 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3h21 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h21 s SER 38 N -1.63 3.31 0.24 1.61 1.04 -1.26 -4.81 113.70 112.20 3h21 s SER 38 Ca 0.00 2.29 -0.02 0.00 0.48 0.00 0.00 55.95 58.70 3h21 s SER 38 Cb 0.00 -2.58 0.27 0.00 0.10 0.00 0.00 66.02 63.81 3h21 s SER 38 CO 0.00 -2.85 1.67 0.22 0.98 0.00 0.00 173.24 173.26 3h21 h TYR 39 N -1.31 0.77 -0.36 5.02 3.20 -1.99 -2.50 116.97 119.81 3h21 h TYR 39 Ca -0.45 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 61.18 3h21 h TYR 39 Cb 1.28 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 3h21 h TYR 39 CO 0.48 0.84 -0.08 -0.91 -1.64 0.00 0.00 178.16 176.85 3h21 h ASN 40 N 0.61 0.69 -0.11 -2.11 2.35 -1.98 0.28 115.58 115.31 3h21 h ASN 40 Ca 0.09 -0.36 -0.09 0.00 -0.55 0.00 0.00 56.30 55.40 3h21 h ASN 40 Cb 0.68 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3h21 h ASN 40 CO 0.05 0.89 -0.27 1.05 -1.65 0.00 0.00 177.43 177.50 3h21 h GLU 41 N 0.48 0.37 0.00 0.81 4.11 -1.94 -2.17 114.58 116.25 3h21 h GLU 41 Ca 0.09 -0.26 -0.11 0.00 0.07 0.00 0.00 59.36 59.16 3h21 h GLU 41 Cb 0.58 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3h21 h GLU 41 CO 0.03 0.87 -0.52 0.28 0.07 0.00 0.00 179.01 179.74 3h21 h VAL 42 N -0.06 1.36 -0.27 -1.06 2.07 -1.43 -0.97 116.25 115.89 3h21 h VAL 42 Ca -0.00 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 3h21 h VAL 42 Cb 0.88 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3h21 h VAL 42 CO 0.06 0.51 0.06 -0.78 0.02 0.00 0.00 177.57 177.44 3h21 h ASP 43 N 0.00 0.41 -0.27 0.57 3.58 -0.49 -2.17 116.42 118.04 3h21 h ASP 43 Ca -0.01 -0.23 -0.06 0.00 0.42 0.00 0.00 57.03 57.15 3h21 h ASP 43 Cb 0.94 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 3h21 h ASP 43 CO 0.07 0.53 -0.08 0.00 -2.88 0.00 0.00 179.24 176.88 3h21 h ALA 44 N 0.89 0.38 -0.69 -0.78 0.00 -1.03 -2.12 119.26 115.91 3h21 h ALA 44 Ca 0.08 -0.29 0.14 0.00 0.00 0.00 0.00 54.91 54.85 3h21 h ALA 44 Cb 0.29 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 3h21 h ALA 44 CO 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 179.25 179.36 3h21 h ALA 45 N 0.76 0.55 -0.43 0.00 0.00 -1.22 0.22 119.26 119.15 3h21 h ALA 45 Ca 0.07 0.25 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 3h21 h ALA 45 Cb 0.57 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3h21 h ALA 45 CO 0.03 -0.42 -0.29 0.28 0.00 0.00 0.00 179.25 178.85 3h21 h VAL 46 N 0.04 1.27 -0.30 0.00 2.07 -1.17 -0.58 116.25 117.58 3h21 h VAL 46 Ca 0.35 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 3h21 h VAL 46 Cb 0.56 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3h21 h VAL 46 CO -0.66 0.49 -0.09 0.03 0.02 0.00 0.00 177.57 177.36 3h21 h ARG 47 N 0.79 0.60 -0.45 1.57 3.08 -0.90 -0.14 114.38 118.92 3h21 h ARG 47 Ca 0.09 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3h21 h ARG 47 Cb 0.88 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 3h21 h ARG 47 CO 0.08 0.80 0.25 1.25 -1.07 0.00 0.00 179.97 181.28 3h21 h HIS 48 N 0.36 0.61 -0.79 3.04 2.76 -0.47 -1.40 115.15 119.26 3h21 h HIS 48 Ca 0.07 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3h21 h HIS 48 Cb 0.59 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.31 3h21 h HIS 48 CO 0.05 0.46 0.39 0.00 -1.30 0.00 0.00 177.93 177.53 3h21 h ALA 49 N 1.10 1.20 -0.66 5.26 0.00 -0.93 -0.76 119.26 124.46 3h21 h ALA 49 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3h21 h ALA 49 Cb 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3h21 h ALA 49 CO -0.03 0.62 0.22 0.87 0.00 0.00 0.00 179.25 180.93 3h21 h LYS 50 N 1.11 1.00 -0.03 0.00 1.57 -0.61 0.58 116.57 120.19 3h21 h LYS 50 Ca 0.27 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3h21 h LYS 50 Cb 0.09 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3h21 h LYS 50 CO -0.04 0.85 -0.03 1.49 -0.57 0.00 0.00 179.45 181.15 3h21 h GLU 51 N 0.97 0.07 -0.53 3.15 4.81 -0.68 -1.23 114.58 121.14 3h21 h GLU 51 Ca 0.22 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3h21 h GLU 51 Cb 0.25 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 3h21 h GLU 51 CO -0.01 0.57 0.05 0.52 -0.73 0.00 0.00 179.01 179.41 3h21 h MET 52 N -0.43 0.17 -0.52 1.92 2.86 -1.11 0.43 114.93 118.25 3h21 h MET 52 Ca 0.00 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 3h21 h MET 52 Cb 0.56 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.11 3h21 h MET 52 CO 0.01 0.11 0.06 -0.09 1.06 0.00 0.00 176.91 178.06 3h21 h ARG 53 N 0.17 0.18 0.00 1.72 1.12 -0.76 -1.00 114.38 115.81 3h21 h ARG 53 Ca 0.27 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 59.11 3h21 h ARG 53 Cb 0.40 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 3h21 h ARG 53 CO -0.40 0.12 -0.10 -0.44 -3.11 0.00 0.00 179.97 176.03 3h21 h ASP 54 N 0.18 0.00 0.24 -3.80 3.32 -0.27 -2.71 116.42 113.37 3h21 h ASP 54 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3h21 h ASP 54 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3h21 h ASP 54 CO -0.38 0.10 -0.28 -0.62 -1.72 0.00 0.00 179.24 176.33 3h21 n GLU 55 N -3.31 0.81 0.00 3.56 1.02 0.05 -4.94 120.64 117.84 3h21 n GLU 55 Ca -0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 3h21 n GLU 55 Cb 0.31 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3h21 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h21 n GLY 56 N 1.35 1.28 3.76 0.62 0.00 -0.87 -4.31 105.19 107.03 3h21 n GLY 56 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3h21 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h21 s ALA 57 N -2.00 3.03 -0.08 4.61 0.00 -0.69 -4.70 121.76 121.92 3h21 s ALA 57 Ca 0.00 1.35 0.08 0.00 0.00 0.00 0.00 51.96 53.39 3h21 s ALA 57 Cb 0.00 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3h21 s ALA 57 CO 0.00 -1.21 0.20 0.72 0.00 0.00 0.00 175.76 175.47 3h21 n HIS 58 N -0.57 0.00 -4.03 0.00 8.25 0.56 -4.71 115.22 114.72 3h21 n HIS 58 Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 3h21 n HIS 58 Cb 0.44 -0.14 -0.14 0.00 1.12 0.00 0.00 29.99 31.27 3h21 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h21 s ILE 59 N -2.36 0.25 -0.23 1.59 1.01 -0.91 -4.02 121.20 116.54 3h21 s ILE 59 Ca -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 3h21 s ILE 59 Cb 0.05 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 3h21 s ILE 59 CO 0.32 -0.02 0.10 -0.63 0.00 0.00 0.00 174.94 174.71 3h21 s ILE 60 N -0.30 4.82 -0.31 2.92 -1.09 -0.12 -0.28 121.20 126.84 3h21 s ILE 60 Ca -0.01 -0.01 -0.13 0.00 -2.23 0.00 0.00 60.65 58.27 3h21 s ILE 60 Cb -0.03 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 3h21 s ILE 60 CO -0.00 0.38 0.27 -0.62 -1.23 0.00 0.00 174.94 173.73 3h21 s ASP 61 N 1.04 6.10 -0.24 3.58 3.68 -0.01 -0.58 116.67 130.25 3h21 s ASP 61 Ca 0.05 -0.10 -0.04 0.00 2.13 0.00 0.00 52.55 54.59 3h21 s ASP 61 Cb -0.14 -2.16 0.00 0.00 -1.45 0.00 0.00 42.92 39.18 3h21 s ASP 61 CO 0.04 -0.18 -0.02 -0.63 0.13 0.00 0.00 175.17 174.51 3h21 s ILE 62 N 1.86 3.36 -0.05 4.11 1.01 0.03 -1.27 121.20 130.25 3h21 s ILE 62 Ca 0.09 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.13 3h21 s ILE 62 Cb -0.16 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 3h21 s ILE 62 CO 0.11 0.30 -0.21 -0.83 0.00 0.00 0.00 174.94 174.31 3h21 s GLY 63 N 1.44 1.38 0.00 6.18 0.00 -1.26 -1.47 107.32 113.59 3h21 s GLY 63 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3h21 s GLY 63 CO -0.02 -0.75 0.00 0.61 0.00 0.00 0.00 173.10 172.94 3h21 n GLY 64 N 2.62 -2.63 0.63 0.20 0.00 -1.21 -5.00 105.19 99.81 3h21 n GLY 64 Ca -0.17 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 3h21 n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h21 n SER 75 N 0.00 -1.09 0.02 1.61 3.41 -1.26 -5.06 113.62 111.24 3h21 n SER 75 Ca 0.00 0.03 0.02 0.00 -0.26 0.00 0.00 58.87 58.66 3h21 n SER 75 Cb 0.00 -0.14 0.38 0.00 -0.26 0.00 0.00 64.21 64.18 3h21 n SER 75 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3h21 h VAL 76 N -0.21 1.14 -0.09 -3.33 3.04 -2.05 -1.80 116.25 112.96 3h21 h VAL 76 Ca -0.09 -0.46 -0.22 0.00 -1.01 0.00 0.00 66.70 64.93 3h21 h VAL 76 Cb 0.28 0.74 0.01 0.00 -2.01 0.00 0.00 31.29 30.30 3h21 h VAL 76 CO 0.05 0.17 -0.82 -0.33 -1.01 0.00 0.00 177.57 175.63 3h21 h GLU 77 N 0.50 0.60 -0.06 4.17 3.07 -2.02 -2.77 114.58 118.06 3h21 h GLU 77 Ca 0.12 -0.52 -0.01 0.00 -0.50 0.00 0.00 59.36 58.45 3h21 h GLU 77 Cb 0.12 0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3h21 h GLU 77 CO -0.01 1.14 0.01 0.93 -1.40 0.00 0.00 179.01 179.68 3h21 h GLU 78 N 0.39 0.11 -0.90 2.33 5.08 -1.96 -2.11 114.58 117.52 3h21 h GLU 78 Ca -0.06 -0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.46 3h21 h GLU 78 Cb 1.43 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.60 3h21 h GLU 78 CO 0.15 0.35 0.59 1.49 -1.00 0.00 0.00 179.01 180.60 3h21 h GLU 79 N -0.15 0.47 -0.16 2.33 4.81 -1.39 0.56 114.58 121.05 3h21 h GLU 79 Ca 0.02 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 3h21 h GLU 79 Cb 0.30 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.58 3h21 h GLU 79 CO 0.00 0.31 -0.54 0.82 -0.73 0.00 0.00 179.01 178.88 3h21 h ILE 80 N 0.48 1.33 -0.89 2.32 2.04 -1.46 0.12 117.51 121.46 3h21 h ILE 80 Ca 0.47 -1.79 0.07 0.00 1.00 0.00 0.00 64.86 64.60 3h21 h ILE 80 Cb 1.05 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 39.08 3h21 h ILE 80 CO -0.20 0.55 0.55 0.11 0.00 0.00 0.00 178.15 179.17 3h21 h LYS 81 N 0.30 0.97 0.15 2.37 1.57 -0.35 -0.49 116.57 121.10 3h21 h LYS 81 Ca -0.02 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.39 3h21 h LYS 81 Cb 1.16 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.26 3h21 h LYS 81 CO 0.11 0.64 -1.46 -0.09 -0.57 0.00 0.00 179.45 178.08 3h21 h ARG 82 N 1.00 0.33 0.09 3.15 2.43 0.06 -3.37 114.38 118.07 3h21 h ARG 82 Ca 0.39 -0.56 -0.33 0.00 -0.81 0.00 0.00 59.98 58.67 3h21 h ARG 82 Cb 0.19 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3h21 h ARG 82 CO -0.18 1.23 -1.83 -0.24 -1.51 0.00 0.00 179.97 177.43 3h21 h VAL 83 N 0.09 0.78 -0.46 0.20 3.04 -0.77 -3.38 116.25 115.75 3h21 h VAL 83 Ca -0.22 -2.52 -0.03 0.00 -1.01 0.00 0.00 66.70 62.91 3h21 h VAL 83 Cb 2.04 2.53 -0.02 0.00 -2.01 0.00 0.00 31.29 33.83 3h21 h VAL 83 CO 0.20 0.77 0.16 0.58 -1.01 0.00 0.00 177.57 178.26 3h21 h VAL 84 N 0.05 1.22 -0.96 1.51 2.07 -1.30 -1.50 116.25 117.35 3h21 h VAL 84 Ca -0.35 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 66.57 3h21 h VAL 84 Cb 2.03 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 3h21 h VAL 84 CO 0.10 0.26 0.61 -0.65 0.02 0.00 0.00 177.57 177.91 3h21 h PRO 85 N 0.61 0.92 -0.26 1.57 0.11 -1.77 0.10 132.00 133.28 3h21 h PRO 85 Ca 0.15 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 3h21 h PRO 85 Cb 0.24 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3h21 h PRO 85 CO -0.01 0.61 0.02 0.52 -0.21 0.00 0.00 178.00 178.93 3h21 h MET 86 N 0.95 0.45 0.02 1.05 2.86 -1.61 0.38 114.93 119.01 3h21 h MET 86 Ca 0.46 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.98 3h21 h MET 86 Cb 0.47 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3h21 h MET 86 CO -0.23 0.60 -0.08 0.82 1.06 0.00 0.00 176.91 179.09 3h21 h ILE 87 N 0.24 0.81 -0.10 -1.22 2.04 -1.02 0.73 117.51 118.99 3h21 h ILE 87 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 3h21 h ILE 87 Cb 0.39 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 3h21 h ILE 87 CO 0.01 0.00 -0.27 1.56 0.00 0.00 0.00 178.15 179.45 3h21 h GLN 88 N -0.14 -0.34 0.14 2.37 4.20 -0.78 0.81 115.11 121.37 3h21 h GLN 88 Ca 0.03 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3h21 h GLN 88 Cb 0.17 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3h21 h GLN 88 CO -0.07 -0.23 -0.10 0.00 -0.67 0.00 0.00 178.83 177.76 3h21 h ALA 89 N 0.52 -0.23 -0.47 3.87 0.00 -0.78 -2.56 119.26 119.61 3h21 h ALA 89 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3h21 h ALA 89 Cb 0.49 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3h21 h ALA 89 CO -0.30 -0.64 0.18 0.28 0.00 0.00 0.00 179.25 178.76 3h21 h VAL 90 N -0.25 1.21 0.00 0.00 2.07 -0.62 -1.71 116.25 116.96 3h21 h VAL 90 Ca -0.01 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 3h21 h VAL 90 Cb 0.22 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3h21 h VAL 90 CO -0.00 0.25 -0.36 0.77 0.02 0.00 0.00 177.57 178.25 3h21 h SER 91 N 0.62 0.00 -0.39 0.57 4.64 -0.86 0.46 113.55 118.58 3h21 h SER 91 Ca 0.16 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3h21 h SER 91 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3h21 h SER 91 CO -0.01 0.36 -0.15 0.50 -0.87 0.00 0.00 176.83 176.66 3h21 h LYS 92 N 0.00 0.79 0.00 4.77 3.64 -1.11 -3.38 116.57 121.28 3h21 h LYS 92 Ca -0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3h21 h LYS 92 Cb 0.65 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3h21 h LYS 92 CO 0.05 0.95 -1.24 0.39 -2.27 0.00 0.00 179.45 177.33 3h21 n GLU 93 N -4.29 1.15 -3.85 1.90 1.02 -0.67 -4.86 120.64 111.03 3h21 n GLU 93 Ca -0.01 -0.07 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 3h21 n GLU 93 Cb 0.39 -1.31 -0.17 0.00 -0.02 0.00 0.00 31.44 30.33 3h21 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h21 s VAL 94 N -2.80 0.79 -1.27 2.62 1.01 0.15 -5.01 120.40 115.89 3h21 s VAL 94 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 3h21 s VAL 94 Cb 0.11 -0.88 0.15 0.00 0.00 0.00 0.00 36.38 35.77 3h21 s VAL 94 CO 0.66 0.30 1.72 0.29 0.00 0.00 0.00 175.10 178.08 3h21 n LYS 95 N 5.01 3.44 -3.69 2.72 4.76 -1.26 -4.45 118.16 124.70 3h21 n LYS 95 Ca -0.10 -3.57 -0.14 0.00 -2.87 0.00 0.00 58.31 51.63 3h21 n LYS 95 Cb 0.50 -3.04 -0.08 0.00 -1.84 0.00 0.00 35.03 30.57 3h21 n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h21 s LEU 96 N 1.01 0.42 0.67 -0.35 1.02 -1.26 -5.14 118.68 115.04 3h21 s LEU 96 Ca 0.42 0.22 -0.17 0.00 0.02 0.00 0.00 54.13 54.62 3h21 s LEU 96 Cb 0.05 1.65 0.00 0.00 0.02 0.00 0.00 46.19 47.91 3h21 s LEU 96 CO 0.00 -0.52 1.24 -2.84 0.02 0.00 0.00 176.35 174.24 3h21 s PRO 97 N -1.50 2.49 -0.07 1.29 0.02 -1.26 -4.84 135.00 131.14 3h21 s PRO 97 Ca -0.12 1.88 0.05 0.00 0.02 0.00 0.00 61.00 62.83 3h21 s PRO 97 Cb -0.03 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 3h21 s PRO 97 CO 0.04 -1.59 -0.22 0.42 -0.33 0.00 0.00 177.00 175.32 3h21 s ILE 98 N -1.69 2.28 -0.09 2.83 1.01 -1.26 -0.95 121.20 123.33 3h21 s ILE 98 Ca 0.78 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 3h21 s ILE 98 Cb -0.32 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3h21 s ILE 98 CO 0.40 0.57 0.05 -0.94 0.00 0.00 0.00 174.94 175.02 3h21 s SER 99 N -0.14 5.65 -0.39 3.58 1.04 0.26 0.23 113.70 123.93 3h21 s SER 99 Ca -0.04 0.25 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 3h21 s SER 99 Cb -0.14 -1.68 0.01 0.00 0.10 0.00 0.00 66.02 64.31 3h21 s SER 99 CO 0.04 0.38 0.57 -0.51 0.98 0.00 0.00 173.24 174.69 3h21 s ILE 100 N -0.96 4.94 -1.02 -1.02 1.10 -0.41 -0.79 121.20 123.04 3h21 s ILE 100 Ca 0.15 0.20 -0.23 0.00 -0.51 0.00 0.00 60.65 60.26 3h21 s ILE 100 Cb -0.12 -4.08 -0.01 0.00 0.15 0.00 0.00 42.46 38.41 3h21 s ILE 100 CO 0.04 -0.39 1.75 -0.62 -2.11 0.00 0.00 174.94 173.61 3h21 s ASP 101 N 1.86 5.76 -0.02 4.50 3.68 -0.54 -1.51 116.67 130.40 3h21 s ASP 101 Ca 0.20 -1.24 -0.09 0.00 2.13 0.00 0.00 52.55 53.55 3h21 s ASP 101 Cb -0.15 -2.57 0.01 0.00 -1.45 0.00 0.00 42.92 38.76 3h21 s ASP 101 CO 0.16 -2.21 0.19 0.28 0.13 0.00 0.00 175.17 173.72 3h21 s THR 102 N 7.88 0.06 -2.26 1.71 -1.32 -1.00 -3.31 115.64 117.39 3h21 s THR 102 Ca 0.60 -0.47 0.22 0.00 -1.21 0.00 0.00 61.69 60.82 3h21 s THR 102 Cb -0.03 -0.44 0.49 0.00 -1.51 0.00 0.00 72.50 71.02 3h21 s THR 102 CO -0.01 -0.26 1.45 0.00 -2.21 0.00 0.00 174.62 173.59 3h21 n TYR 103 N 1.80 0.61 -4.10 9.09 0.18 -1.26 -4.06 117.16 119.42 3h21 n TYR 103 Ca -0.20 -0.31 -0.34 0.00 1.88 0.00 0.00 57.90 58.93 3h21 n TYR 103 Cb 0.56 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.42 3h21 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h21 s LYS 104 N -1.39 3.87 0.23 -3.48 1.02 -1.26 -4.17 119.74 114.56 3h21 s LYS 104 Ca 0.40 -0.38 -0.08 0.00 0.02 0.00 0.00 55.97 55.94 3h21 s LYS 104 Cb 0.22 -3.14 0.25 0.00 -0.52 0.00 0.00 37.83 34.64 3h21 s LYS 104 CO 0.30 0.30 1.87 0.00 -0.92 0.00 0.00 175.35 176.90 3h21 h ALA 105 N 6.59 1.10 -0.19 5.17 0.00 -1.91 -1.51 119.26 128.51 3h21 h ALA 105 Ca -0.37 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3h21 h ALA 105 Cb 1.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3h21 h ALA 105 CO 0.68 0.37 -0.09 1.49 0.00 0.00 0.00 179.25 181.70 3h21 h GLU 106 N 1.05 0.40 -0.86 0.00 4.57 -1.96 -1.99 114.58 115.79 3h21 h GLU 106 Ca 0.33 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 3h21 h GLU 106 Cb 0.00 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 3h21 h GLU 106 CO -0.11 0.69 0.45 0.28 -1.18 0.00 0.00 179.01 179.14 3h21 h VAL 107 N 0.10 1.26 -0.46 0.32 2.07 -1.87 -2.43 116.25 115.24 3h21 h VAL 107 Ca 0.04 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3h21 h VAL 107 Cb 0.57 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3h21 h VAL 107 CO 0.03 0.30 0.15 0.00 0.02 0.00 0.00 177.57 178.06 3h21 h ALA 108 N 1.24 0.60 0.64 1.67 0.00 -1.16 -1.40 119.26 120.85 3h21 h ALA 108 Ca 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3h21 h ALA 108 Cb 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h21 h ALA 108 CO -0.04 0.25 -0.35 -0.22 0.00 0.00 0.00 179.25 178.89 3h21 h LYS 109 N 0.61 -0.89 -0.19 0.00 3.64 -1.22 -1.96 116.57 116.55 3h21 h LYS 109 Ca 0.15 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3h21 h LYS 109 Cb 0.26 0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 3h21 h LYS 109 CO -0.01 -0.59 -0.45 1.96 -2.27 0.00 0.00 179.45 178.09 3h21 h GLN 110 N -0.92 -0.46 -0.98 1.90 1.08 -1.47 -1.08 115.11 113.18 3h21 h GLN 110 Ca -0.08 0.03 0.24 0.00 -1.45 0.00 0.00 58.65 57.39 3h21 h GLN 110 Cb 0.73 0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 28.19 3h21 h GLN 110 CO 0.11 -0.31 0.64 0.00 -0.95 0.00 0.00 178.83 178.33 3h21 h ALA 111 N 0.09 2.27 0.02 3.87 0.00 -1.27 0.43 119.26 124.67 3h21 h ALA 111 Ca 0.08 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 3h21 h ALA 111 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3h21 h ALA 111 CO -0.45 -0.61 -1.02 0.82 0.00 0.00 0.00 179.25 178.00 3h21 h ILE 112 N 0.38 1.36 -0.72 0.00 2.04 -0.44 0.28 117.51 120.42 3h21 h ILE 112 Ca 0.53 -2.44 -0.03 0.00 1.00 0.00 0.00 64.86 63.92 3h21 h ILE 112 Cb 1.37 2.47 -0.03 0.00 -0.74 0.00 0.00 36.82 39.89 3h21 h ILE 112 CO -0.22 0.73 0.32 -0.33 0.00 0.00 0.00 178.15 178.66 3h21 h GLU 113 N 0.27 1.05 0.00 2.37 4.39 -0.03 -2.30 114.58 120.33 3h21 h GLU 113 Ca -0.11 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 3h21 h GLU 113 Cb 1.67 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 30.14 3h21 h GLU 113 CO 0.18 0.84 -0.02 0.00 -1.16 0.00 0.00 179.01 178.85 3h21 h ALA 114 N 1.16 1.18 0.00 3.43 0.00 -0.10 -3.47 119.26 121.45 3h21 h ALA 114 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3h21 h ALA 114 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h21 h ALA 114 CO -0.03 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h21 n GLY 115 N -0.92 0.53 3.79 0.00 0.00 -0.86 -3.88 105.19 103.84 3h21 n GLY 115 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3h21 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h21 s ALA 116 N -1.34 2.94 -0.03 4.61 0.00 0.05 -4.75 121.76 123.24 3h21 s ALA 116 Ca 0.00 0.70 0.11 0.00 0.00 0.00 0.00 51.96 52.77 3h21 s ALA 116 Cb 0.00 -3.28 -0.17 0.00 0.00 0.00 0.00 23.12 19.66 3h21 s ALA 116 CO 0.00 -0.36 0.23 0.72 0.00 0.00 0.00 175.76 176.35 3h21 n HIS 117 N -0.62 0.00 -3.83 0.00 -0.00 0.14 -4.49 115.22 106.41 3h21 n HIS 117 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.67 3h21 n HIS 117 Cb 0.51 -0.30 -0.14 0.00 -0.00 0.00 0.00 29.99 30.05 3h21 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h21 s ILE 118 N -2.74 -0.02 -0.05 1.59 1.01 -0.82 -4.06 121.20 116.11 3h21 s ILE 118 Ca -0.04 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 3h21 s ILE 118 Cb 0.07 -0.10 -0.05 0.00 0.01 0.00 0.00 42.46 42.39 3h21 s ILE 118 CO 0.48 0.02 0.38 -0.63 0.00 0.00 0.00 174.94 175.19 3h21 s ILE 119 N 0.34 5.13 -0.41 2.92 1.01 -0.13 -1.29 121.20 128.77 3h21 s ILE 119 Ca -0.03 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.42 3h21 s ILE 119 Cb -0.04 -3.69 0.11 0.00 0.01 0.00 0.00 42.46 38.86 3h21 s ILE 119 CO -0.01 0.52 0.15 0.21 0.00 0.00 0.00 174.94 175.81 3h21 s ASN 120 N -0.58 4.39 -0.36 3.58 2.47 -0.57 -0.06 114.94 123.81 3h21 s ASN 120 Ca 0.22 -2.46 -0.06 0.00 0.42 0.00 0.00 52.86 50.99 3h21 s ASN 120 Cb -0.15 -1.47 0.06 0.00 -1.45 0.00 0.00 41.25 38.23 3h21 s ASN 120 CO 0.11 -0.32 0.14 -0.62 -3.72 0.00 0.00 177.10 172.69 3h21 s ASP 121 N 0.50 5.34 0.00 -4.21 3.68 -0.43 -2.39 116.67 119.16 3h21 s ASP 121 Ca 0.14 -1.36 0.11 0.00 2.13 0.00 0.00 52.55 53.57 3h21 s ASP 121 Cb -0.22 -1.87 0.52 0.00 -1.45 0.00 0.00 42.92 39.90 3h21 s ASP 121 CO -0.06 -0.40 1.24 2.30 0.13 0.00 0.00 175.17 178.39 3h21 n ILE 122 N 4.79 0.82 0.28 4.11 -5.35 -1.26 -1.72 119.36 121.02 3h21 n ILE 122 Ca -0.11 0.20 0.03 0.00 -0.27 0.00 0.00 62.75 62.61 3h21 n ILE 122 Cb 0.44 -1.03 0.02 0.00 -1.74 0.00 0.00 39.64 37.33 3h21 n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h21 n TRP 123 N -1.31 0.00 -3.60 4.28 7.02 -1.26 -4.52 117.44 118.05 3h21 n TRP 123 Ca 0.05 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.32 3h21 n TRP 123 Cb 0.09 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.04 3h21 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h21 n GLY 124 N 0.44 -0.38 2.40 6.99 0.00 -0.70 -2.10 105.19 111.84 3h21 n GLY 124 Ca 0.04 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 3h21 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h21 n ALA 125 N -4.37 -0.07 -0.04 4.61 0.00 -1.26 -4.57 120.51 114.80 3h21 n ALA 125 Ca -0.21 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 3h21 n ALA 125 Cb 0.64 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 3h21 n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h21 n LYS 126 N -1.79 0.66 -0.05 0.00 5.02 -0.89 -3.01 118.16 118.10 3h21 n LYS 126 Ca -0.04 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 3h21 n LYS 126 Cb 0.28 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 3h21 n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h21 h ALA 127 N 1.30 0.20 -2.23 7.82 0.00 -1.87 -3.40 119.26 121.07 3h21 h ALA 127 Ca -0.32 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 53.65 3h21 h ALA 127 Cb 1.82 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 19.21 3h21 h ALA 127 CO 0.03 0.16 -0.95 0.39 0.00 0.00 0.00 179.25 178.88 3h21 n GLU 128 N -4.48 0.24 -0.04 0.00 1.02 -1.26 -4.99 120.64 111.13 3h21 n GLU 128 Ca -0.07 -3.09 0.23 0.00 -0.02 0.00 0.00 57.16 54.22 3h21 n GLU 128 Cb 0.43 -1.63 0.55 0.00 -0.02 0.00 0.00 31.44 30.77 3h21 n GLU 128 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3h21 h PRO 129 N 5.49 0.00 0.00 3.49 0.11 -1.77 0.28 132.00 139.60 3h21 h PRO 129 Ca 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 3h21 h PRO 129 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3h21 h PRO 129 CO 0.35 0.00 -0.02 0.87 -0.21 0.00 0.00 178.00 178.99 3h21 h LYS 130 N 0.00 0.00 -0.05 1.05 1.57 -1.94 -2.06 116.57 115.14 3h21 h LYS 130 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3h21 h LYS 130 Cb 2.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.38 3h21 h LYS 130 CO -0.00 0.02 0.01 0.97 -0.57 0.00 0.00 179.45 179.88 3h21 h ILE 131 N 0.00 1.03 -0.23 1.86 2.10 -0.77 -1.74 117.51 119.75 3h21 h ILE 131 Ca -0.00 -0.09 -0.01 0.00 1.08 0.00 0.00 64.86 65.84 3h21 h ILE 131 Cb 0.08 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 36.77 3h21 h ILE 131 CO 0.00 0.03 0.11 0.00 -1.08 0.00 0.00 178.15 177.21 3h21 h ALA 132 N 1.95 0.30 -0.97 0.18 0.00 -1.58 -1.32 119.26 117.81 3h21 h ALA 132 Ca 0.02 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 54.99 3h21 h ALA 132 Cb 0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 3h21 h ALA 132 CO -0.00 -0.14 0.59 0.93 0.00 0.00 0.00 179.25 180.63 3h21 h GLU 133 N 0.24 0.81 -0.20 0.00 5.08 -1.47 0.03 114.58 119.07 3h21 h GLU 133 Ca 0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3h21 h GLU 133 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3h21 h GLU 133 CO -0.01 0.54 0.08 0.28 -1.00 0.00 0.00 179.01 178.90 3h21 h VAL 134 N 0.84 1.16 -0.34 3.13 2.07 -0.99 -1.48 116.25 120.64 3h21 h VAL 134 Ca 0.52 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3h21 h VAL 134 Cb 0.67 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3h21 h VAL 134 CO -0.33 0.16 0.20 0.00 0.02 0.00 0.00 177.57 177.62 3h21 h ALA 135 N 0.92 0.43 -0.74 1.67 0.00 -0.75 -0.96 119.26 119.83 3h21 h ALA 135 Ca 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h21 h ALA 135 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3h21 h ALA 135 CO -0.01 -0.05 0.27 0.00 0.00 0.00 0.00 179.25 179.46 3h21 h ALA 136 N 1.07 1.07 -0.19 0.00 0.00 -0.99 0.26 119.26 120.48 3h21 h ALA 136 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h21 h ALA 136 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3h21 h ALA 136 CO -0.02 0.65 0.03 1.25 0.00 0.00 0.00 179.25 181.16 3h21 h HIS 137 N 1.09 0.33 0.00 0.00 6.17 -0.79 -3.09 115.15 118.86 3h21 h HIS 137 Ca 0.24 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.28 3h21 h HIS 137 Cb 0.25 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.09 3h21 h HIS 137 CO 0.02 0.46 -0.26 0.66 0.71 0.00 0.00 177.93 179.52 3h21 n TYR 138 N -4.76 0.75 -3.23 5.26 4.01 -0.41 -4.95 117.16 113.83 3h21 n TYR 138 Ca -0.04 0.22 -0.17 0.00 -0.16 0.00 0.00 57.90 57.74 3h21 n TYR 138 Cb 0.19 -0.81 0.05 0.00 -0.31 0.00 0.00 39.34 38.46 3h21 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h21 n ASP 139 N -2.17 -5.15 -4.87 7.72 2.03 0.88 -5.03 116.55 109.96 3h21 n ASP 139 Ca 0.05 -0.37 -0.30 0.00 0.52 0.00 0.00 54.79 54.69 3h21 n ASP 139 Cb 0.43 -3.77 -0.05 0.00 -0.72 0.00 0.00 41.12 37.01 3h21 n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h21 s VAL 140 N -3.20 5.04 0.49 5.18 -7.23 -0.97 -4.97 120.40 114.74 3h21 s VAL 140 Ca 0.40 -0.58 -0.23 0.00 -1.81 0.00 0.00 61.98 59.76 3h21 s VAL 140 Cb -0.18 -3.47 -0.07 0.00 0.56 0.00 0.00 36.38 33.22 3h21 s VAL 140 CO 0.49 0.11 1.26 -2.65 -0.31 0.00 0.00 175.10 174.00 3h21 n PRO 141 N 0.25 1.70 -4.63 4.82 -0.02 -1.26 -4.81 135.00 131.06 3h21 n PRO 141 Ca -0.07 0.62 -0.23 0.00 -2.02 0.00 0.00 63.50 61.81 3h21 n PRO 141 Cb 0.52 -2.42 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 3h21 n PRO 141 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3h21 s ILE 142 N -1.28 1.10 -0.26 4.25 2.07 0.31 -0.96 121.20 126.44 3h21 s ILE 142 Ca 0.67 -0.57 -0.10 0.00 -1.41 0.00 0.00 60.65 59.24 3h21 s ILE 142 Cb -0.46 -0.93 -0.05 0.00 0.13 0.00 0.00 42.46 41.15 3h21 s ILE 142 CO 0.53 0.32 0.15 -0.63 -1.91 0.00 0.00 174.94 173.41 3h21 s ILE 143 N -0.15 5.13 -0.53 2.00 1.01 0.92 -1.75 121.20 127.82 3h21 s ILE 143 Ca 0.02 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.66 3h21 s ILE 143 Cb -0.07 -3.41 0.13 0.00 0.01 0.00 0.00 42.46 39.12 3h21 s ILE 143 CO 0.00 0.31 0.44 -0.76 0.00 0.00 0.00 174.94 174.92 3h21 s LEU 144 N 1.45 5.93 0.12 2.97 1.43 0.32 -1.32 118.68 129.58 3h21 s LEU 144 Ca 0.07 -2.00 -0.23 0.00 -1.03 0.00 0.00 54.13 50.94 3h21 s LEU 144 Cb -0.15 -2.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 3h21 s LEU 144 CO 0.07 -0.72 0.68 -0.32 0.23 0.00 0.00 176.35 176.30 3h21 s MET 145 N 1.25 4.40 0.04 1.70 1.75 -0.99 -2.65 119.30 124.80 3h21 s MET 145 Ca 0.07 0.96 -0.30 0.00 -1.25 0.00 0.00 55.69 55.17 3h21 s MET 145 Cb -0.26 -3.26 -0.08 0.00 2.84 0.00 0.00 34.83 34.07 3h21 s MET 145 CO -0.01 0.58 1.83 -1.58 -0.65 0.00 0.00 175.02 175.20 3h21 s HIS 146 N -1.04 1.73 0.12 4.11 2.46 0.63 -3.79 115.29 119.51 3h21 s HIS 146 Ca 0.33 -0.14 -0.12 0.00 0.47 0.00 0.00 55.06 55.60 3h21 s HIS 146 Cb -0.21 -4.13 0.01 0.00 -0.13 0.00 0.00 32.58 28.12 3h21 s HIS 146 CO 0.23 -4.86 0.30 1.21 -2.47 0.00 0.00 174.74 169.16 3h21 s ASN 147 N 3.64 -0.05 0.20 9.88 3.84 -1.26 -4.00 114.94 127.19 3h21 s ASN 147 Ca 0.82 -0.56 -0.23 0.00 0.21 0.00 0.00 52.86 53.10 3h21 s ASN 147 Cb -0.41 0.42 0.05 0.00 -0.55 0.00 0.00 41.25 40.77 3h21 s ASN 147 CO 0.37 -0.82 0.90 0.00 -2.79 0.00 0.00 177.10 174.75 3h21 s ARG 148 N -3.86 1.41 -0.03 0.43 1.70 -1.26 -5.02 118.95 112.32 3h21 s ARG 148 Ca 0.07 -0.80 0.18 0.00 -0.47 0.00 0.00 55.73 54.70 3h21 s ARG 148 Cb 0.03 0.47 0.56 0.00 -0.57 0.00 0.00 34.95 35.44 3h21 s ARG 148 CO -0.09 -0.65 1.46 -0.40 -1.08 0.00 0.00 175.30 174.54 3h21 n ASP 149 N -0.57 3.51 -3.98 -2.89 5.68 -1.26 -4.61 116.55 112.43 3h21 n ASP 149 Ca -0.05 -2.12 -0.09 0.00 -0.50 0.00 0.00 54.79 52.02 3h21 n ASP 149 Cb 0.60 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 3h21 n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h21 s ASN 150 N -0.94 -0.04 -0.34 -1.12 2.20 -1.26 -5.06 114.94 108.37 3h21 s ASN 150 Ca 0.41 -0.99 0.06 0.00 -0.94 0.00 0.00 52.86 51.41 3h21 s ASN 150 Cb 0.23 0.58 0.46 0.00 -2.00 0.00 0.00 41.25 40.52 3h21 s ASN 150 CO 0.25 -1.13 1.34 0.23 -2.94 0.00 0.00 177.10 174.86 3h21 n MET 151 N -0.38 3.21 -3.41 3.55 2.81 -1.26 -4.84 117.12 116.79 3h21 n MET 151 Ca -0.01 -3.91 -0.44 0.00 -1.81 0.00 0.00 57.70 51.53 3h21 n MET 151 Cb 0.62 -2.20 -0.05 0.00 -0.71 0.00 0.00 33.22 30.88 3h21 n MET 151 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3h21 s ASN 152 N -3.23 6.23 -0.19 7.83 -0.87 -1.26 -4.97 114.94 118.49 3h21 s ASN 152 Ca 0.52 -2.34 -0.03 0.00 -1.57 0.00 0.00 52.86 49.43 3h21 s ASN 152 Cb 0.42 -2.13 -0.01 0.00 -0.02 0.00 0.00 41.25 39.51 3h21 s ASN 152 CO 0.02 -0.64 -0.05 -0.31 -2.57 0.00 0.00 177.10 173.54 3h21 s TYR 153 N 0.72 2.95 0.18 2.20 1.51 -1.26 -4.97 117.35 118.67 3h21 s TYR 153 Ca 0.12 -0.72 -0.13 0.00 -1.01 0.00 0.00 57.07 55.33 3h21 s TYR 153 Cb -0.19 -2.03 0.09 0.00 -0.11 0.00 0.00 41.96 39.72 3h21 s TYR 153 CO -0.04 -0.36 1.82 -0.09 -1.11 0.00 0.00 175.55 175.77 3h21 h ARG 154 N 7.52 0.82 -0.94 -0.62 2.43 -2.01 -3.42 114.38 118.17 3h21 h ARG 154 Ca -0.36 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 58.80 3h21 h ARG 154 Cb 1.18 -0.17 -0.21 0.00 -0.42 0.00 0.00 29.97 30.35 3h21 h ARG 154 CO 0.60 0.59 -0.31 1.21 -1.51 0.00 0.00 179.97 180.55 3h21 s ASN 155 N -5.84 -1.46 0.13 -3.80 3.84 -1.26 -5.08 114.94 101.47 3h21 s ASN 155 Ca -0.13 0.39 -0.27 0.00 0.21 0.00 0.00 52.86 53.06 3h21 s ASN 155 Cb 0.13 2.01 -0.07 0.00 -0.55 0.00 0.00 41.25 42.78 3h21 s ASN 155 CO 0.77 -0.27 1.46 0.25 -2.79 0.00 0.00 177.10 176.52 3h21 h LEU 156 N 7.96 -1.79 -1.06 3.21 5.85 -1.99 0.21 115.31 127.70 3h21 h LEU 156 Ca -0.08 0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3h21 h LEU 156 Cb 1.18 0.78 -0.03 0.00 0.37 0.00 0.00 40.66 42.96 3h21 h LEU 156 CO 0.16 -0.22 0.28 0.24 -0.34 0.00 0.00 178.44 178.56 3h21 h MET 157 N -0.07 0.95 -0.17 1.25 2.86 -1.98 0.14 114.93 117.90 3h21 h MET 157 Ca 0.12 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 3h21 h MET 157 Cb 0.38 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3h21 h MET 157 CO -0.74 0.76 -0.30 0.00 1.06 0.00 0.00 176.91 177.69 3h21 h ALA 158 N 1.37 0.27 -0.47 6.32 0.00 -1.85 -1.91 119.26 122.99 3h21 h ALA 158 Ca 0.22 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3h21 h ALA 158 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3h21 h ALA 158 CO -0.02 0.29 0.18 -0.44 0.00 0.00 0.00 179.25 179.25 3h21 h ASP 159 N 0.15 0.66 -0.56 0.00 3.32 -0.33 -1.68 116.42 117.98 3h21 h ASP 159 Ca 0.01 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3h21 h ASP 159 Cb 0.89 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 3h21 h ASP 159 CO 0.07 0.66 0.34 0.24 -1.72 0.00 0.00 179.24 178.83 3h21 h MET 160 N 0.62 0.77 -0.29 3.56 2.86 -0.65 0.27 114.93 122.06 3h21 h MET 160 Ca 0.16 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3h21 h MET 160 Cb 0.21 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3h21 h MET 160 CO -0.01 0.55 0.19 0.82 1.06 0.00 0.00 176.91 179.52 3h21 h ILE 161 N 0.76 1.07 0.06 -1.22 2.04 -1.29 0.18 117.51 119.10 3h21 h ILE 161 Ca 0.20 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.95 3h21 h ILE 161 Cb -0.02 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 3h21 h ILE 161 CO -0.04 0.07 -0.49 0.00 0.00 0.00 0.00 178.15 177.70 3h21 h ALA 162 N 1.11 -0.85 -0.67 1.87 0.00 -1.11 0.19 119.26 119.80 3h21 h ALA 162 Ca 0.11 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3h21 h ALA 162 Cb -0.04 0.84 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3h21 h ALA 162 CO -0.03 -1.06 0.38 -0.44 0.00 0.00 0.00 179.25 178.10 3h21 h ASP 163 N -0.67 0.57 -0.76 0.00 3.32 -0.76 -1.15 116.42 116.97 3h21 h ASP 163 Ca 0.02 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3h21 h ASP 163 Cb 0.71 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 3h21 h ASP 163 CO -0.31 0.37 0.36 -0.07 -1.72 0.00 0.00 179.24 177.87 3h21 h LEU 164 N 0.70 1.01 -0.78 1.55 3.38 -0.37 -2.59 115.31 118.21 3h21 h LEU 164 Ca 0.30 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3h21 h LEU 164 Cb 0.17 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3h21 h LEU 164 CO -0.17 0.85 0.48 1.88 0.09 0.00 0.00 178.44 181.57 3h21 h TYR 165 N 1.10 0.90 -0.94 1.13 0.05 0.27 -1.42 116.97 118.06 3h21 h TYR 165 Ca 0.27 0.03 0.11 0.00 0.05 0.00 0.00 58.73 59.19 3h21 h TYR 165 Cb 0.12 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 37.49 3h21 h TYR 165 CO 0.01 0.49 0.60 -0.44 -1.05 0.00 0.00 178.16 177.78 3h21 h ASP 166 N 0.92 0.82 -0.28 3.88 3.32 -0.88 0.00 116.42 124.21 3h21 h ASP 166 Ca 0.32 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 3h21 h ASP 166 Cb 0.07 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3h21 h ASP 166 CO -0.13 0.45 -0.21 0.28 -1.72 0.00 0.00 179.24 177.91 3h21 h SER 167 N 0.89 0.67 -0.76 6.45 0.02 -1.08 -2.61 113.55 117.13 3h21 h SER 167 Ca 0.45 -0.45 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3h21 h SER 167 Cb 0.50 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 3h21 h SER 167 CO -0.21 0.97 0.46 0.40 -1.14 0.00 0.00 176.83 177.30 3h21 h ILE 168 N 0.37 1.03 0.21 3.27 2.04 -0.72 -1.37 117.51 122.34 3h21 h ILE 168 Ca 0.05 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3h21 h ILE 168 Cb 0.76 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3h21 h ILE 168 CO 0.06 0.16 -0.10 0.50 0.00 0.00 0.00 178.15 178.76 3h21 h LYS 169 N 0.85 -0.27 -0.65 2.37 1.63 -0.98 0.20 116.57 119.71 3h21 h LYS 169 Ca 0.33 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.29 3h21 h LYS 169 Cb 0.15 0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 31.73 3h21 h LYS 169 CO -0.16 -0.07 -0.02 0.82 -3.45 0.00 0.00 179.45 176.57 3h21 h ILE 170 N -0.42 0.44 0.56 2.00 2.04 -1.27 -0.39 117.51 120.46 3h21 h ILE 170 Ca -0.03 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3h21 h ILE 170 Cb 0.32 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3h21 h ILE 170 CO 0.05 0.02 -0.38 0.00 0.00 0.00 0.00 178.15 177.83 3h21 h ALA 171 N 1.61 -0.94 -0.27 1.87 0.00 -0.93 -2.37 119.26 118.23 3h21 h ALA 171 Ca 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3h21 h ALA 171 Cb 0.57 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3h21 h ALA 171 CO -0.58 -1.05 0.00 0.87 0.00 0.00 0.00 179.25 178.50 3h21 h LYS 172 N -0.91 0.41 -0.42 0.00 1.57 -0.33 -0.88 116.57 116.01 3h21 h LYS 172 Ca -0.06 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 3h21 h LYS 172 Cb 0.75 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3h21 h LYS 172 CO 0.04 0.44 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.83 3h21 h ASP 173 N 0.40 0.72 0.26 0.86 3.45 -1.07 -1.97 116.42 119.07 3h21 h ASP 173 Ca 0.09 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.35 3h21 h ASP 173 Cb 0.26 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3h21 h ASP 173 CO 0.01 0.84 -0.04 0.00 -1.57 0.00 0.00 179.24 178.48 3h21 n ALA 174 N -2.48 2.66 0.00 3.45 0.00 -0.77 -4.91 120.51 118.46 3h21 n ALA 174 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3h21 n ALA 174 Cb 0.34 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3h21 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h21 n GLY 175 N 1.19 0.74 3.67 0.00 0.00 -0.74 -4.50 105.19 105.55 3h21 n GLY 175 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3h21 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h21 s VAL 176 N -2.00 3.03 0.52 1.61 1.01 -0.41 -4.83 120.40 119.34 3h21 s VAL 176 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 3h21 s VAL 176 Cb 0.00 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 3h21 s VAL 176 CO 0.00 -0.01 1.09 -0.13 0.00 0.00 0.00 175.10 176.05 3h21 s ARG 177 N 3.86 3.51 0.28 2.72 0.52 -1.26 -4.27 118.95 124.31 3h21 s ARG 177 Ca 0.83 1.51 -0.01 0.00 -0.52 0.00 0.00 55.73 57.54 3h21 s ARG 177 Cb -0.41 -2.04 0.48 0.00 0.52 0.00 0.00 34.95 33.50 3h21 s ARG 177 CO 0.37 -0.70 1.87 -0.44 0.02 0.00 0.00 175.30 176.42 3h21 h ASP 178 N 1.30 0.99 0.22 0.23 3.32 -1.98 0.27 116.42 120.77 3h21 h ASP 178 Ca -0.50 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3h21 h ASP 178 Cb 1.25 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3h21 h ASP 178 CO 0.58 0.59 0.00 -0.62 -1.72 0.00 0.00 179.24 178.07 3h21 n GLU 179 N -4.54 0.31 -0.32 3.56 1.02 -1.26 -1.91 120.64 117.50 3h21 n GLU 179 Ca 0.17 0.10 0.09 0.00 -0.02 0.00 0.00 57.16 57.50 3h21 n GLU 179 Cb 0.25 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.44 3h21 n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h21 n ASN 180 N -1.21 3.63 -4.68 1.62 5.03 0.08 -4.82 115.26 114.92 3h21 n ASN 180 Ca 0.09 -2.04 -0.35 0.00 0.87 0.00 0.00 54.58 53.15 3h21 n ASN 180 Cb 0.11 -0.40 -0.09 0.00 -1.02 0.00 0.00 39.78 38.37 3h21 n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h21 s ILE 181 N -1.07 4.72 -0.02 2.41 1.01 -0.80 -0.53 121.20 126.92 3h21 s ILE 181 Ca 0.40 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.00 3h21 s ILE 181 Cb 0.21 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3h21 s ILE 181 CO 0.26 0.53 -0.10 -0.63 0.00 0.00 0.00 174.94 175.01 3h21 s ILE 182 N -0.22 0.81 0.23 2.92 1.01 -0.72 -4.24 121.20 121.00 3h21 s ILE 182 Ca 0.07 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.43 3h21 s ILE 182 Cb -0.12 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 3h21 s ILE 182 CO 0.02 0.25 -0.04 -0.76 0.00 0.00 0.00 174.94 174.40 3h21 s LEU 183 N 0.12 3.10 -0.07 2.97 1.43 0.12 -0.52 118.68 125.82 3h21 s LEU 183 Ca -0.02 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3h21 s LEU 183 Cb -0.08 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.50 3h21 s LEU 183 CO 0.00 0.04 0.16 -0.62 0.23 0.00 0.00 176.35 176.16 3h21 s ASP 184 N -3.34 -0.13 0.04 2.29 3.68 -1.08 -0.01 116.67 118.11 3h21 s ASP 184 Ca 0.29 0.32 0.08 0.00 2.13 0.00 0.00 52.55 55.37 3h21 s ASP 184 Cb -0.07 0.21 0.35 0.00 -1.45 0.00 0.00 42.92 41.96 3h21 s ASP 184 CO 0.18 -0.15 1.24 -0.81 0.13 0.00 0.00 175.17 175.77 3h21 n PRO 185 N 4.15 0.02 -3.71 4.34 -0.04 -1.26 -0.26 135.00 138.24 3h21 n PRO 185 Ca -0.26 0.42 -0.28 0.00 -0.04 0.00 0.00 63.50 63.35 3h21 n PRO 185 Cb 0.52 -1.55 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3h21 n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h21 n GLY 186 N -0.91 -0.75 3.71 0.55 0.00 -1.26 -4.44 105.19 102.09 3h21 n GLY 186 Ca 0.01 0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 3h21 n GLY 186 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h21 n ILE 187 N -4.18 0.27 0.00 -0.61 2.08 -1.26 -1.76 119.36 113.90 3h21 n ILE 187 Ca -0.17 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.08 3h21 n ILE 187 Cb 0.62 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 3h21 n ILE 187 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h21 n GLY 188 N 3.35 1.69 3.39 7.39 0.00 -1.26 -4.87 105.19 114.89 3h21 n GLY 188 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3h21 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h21 s PHE 189 N -2.39 3.01 -1.48 1.61 0.40 -0.72 -4.57 117.98 113.84 3h21 s PHE 189 Ca 0.00 -0.64 -0.07 0.00 -0.60 0.00 0.00 56.93 55.62 3h21 s PHE 189 Cb 0.00 -2.11 0.03 0.00 0.51 0.00 0.00 43.02 41.45 3h21 s PHE 189 CO 0.00 -0.37 0.73 0.00 0.70 0.00 0.00 175.22 176.27 3h21 n ALA 190 N 4.53 -1.08 -3.42 5.36 0.00 -1.26 -4.79 120.51 119.85 3h21 n ALA 190 Ca -0.17 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 3h21 n ALA 190 Cb 0.51 -4.05 -0.15 0.00 0.00 0.00 0.00 19.45 15.76 3h21 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h21 s LYS 191 N -5.96 0.03 0.87 0.00 1.02 -1.26 -4.46 119.74 109.98 3h21 s LYS 191 Ca 0.41 0.10 -0.11 0.00 0.02 0.00 0.00 55.97 56.39 3h21 s LYS 191 Cb -0.19 -0.19 0.12 0.00 -0.52 0.00 0.00 37.83 37.04 3h21 s LYS 191 CO 0.50 -0.10 1.09 0.95 -0.92 0.00 0.00 175.35 176.88 3h21 s THR 192 N 0.66 2.78 0.47 2.17 -4.23 -1.26 -4.71 115.64 111.52 3h21 s THR 192 Ca -0.06 0.25 0.20 0.00 -1.18 0.00 0.00 61.69 60.91 3h21 s THR 192 Cb -0.08 -2.68 0.37 0.00 1.34 0.00 0.00 72.50 71.45 3h21 s THR 192 CO -0.02 -0.33 1.95 -0.65 -0.54 0.00 0.00 174.62 175.04 3h21 h PRO 193 N -1.50 0.22 0.10 3.99 0.11 -1.99 -0.54 132.00 132.40 3h21 h PRO 193 Ca -0.48 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.33 3h21 h PRO 193 Cb 1.27 -0.05 0.02 0.00 0.11 0.00 0.00 31.00 32.35 3h21 h PRO 193 CO 0.52 0.15 -1.21 1.49 -0.21 0.00 0.00 178.00 178.74 3h21 h GLU 194 N 0.23 0.58 -0.72 1.05 4.57 -1.99 -2.75 114.58 115.55 3h21 h GLU 194 Ca 0.32 -0.76 -0.04 0.00 -1.18 0.00 0.00 59.36 57.69 3h21 h GLU 194 Cb 0.92 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 3h21 h GLU 194 CO -0.06 1.34 0.27 1.96 -1.18 0.00 0.00 179.01 181.33 3h21 h GLN 195 N 0.26 1.07 -0.82 1.92 4.20 -1.58 -2.13 115.11 118.03 3h21 h GLN 195 Ca -0.17 -0.19 0.08 0.00 0.06 0.00 0.00 58.65 58.42 3h21 h GLN 195 Cb 1.88 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 29.42 3h21 h GLN 195 CO 0.23 0.88 0.49 -0.91 -0.67 0.00 0.00 178.83 178.85 3h21 h ASN 196 N 1.05 0.73 -0.28 1.46 2.35 -1.10 -0.86 115.58 118.93 3h21 h ASN 196 Ca 0.24 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 3h21 h ASN 196 Cb 0.22 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3h21 h ASN 196 CO -0.02 0.44 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.13 3h21 h LEU 197 N 0.85 0.58 -0.11 1.61 4.07 -1.19 -1.62 115.31 119.51 3h21 h LEU 197 Ca 0.38 -0.12 -0.24 0.00 0.08 0.00 0.00 57.88 57.98 3h21 h LEU 197 Cb 0.27 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 41.87 3h21 h LEU 197 CO -0.21 0.65 -0.99 -0.08 -1.08 0.00 0.00 178.44 176.74 3h21 h GLU 198 N 0.58 0.52 -0.21 1.13 4.81 -0.82 -1.39 114.58 119.19 3h21 h GLU 198 Ca 0.12 -0.56 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 3h21 h GLU 198 Cb 0.37 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3h21 h GLU 198 CO 0.01 1.19 0.00 0.00 -0.73 0.00 0.00 179.01 179.49 3h21 h ALA 199 N 0.61 0.29 -0.53 2.92 0.00 -0.99 -1.51 119.26 120.04 3h21 h ALA 199 Ca -0.10 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.71 3h21 h ALA 199 Cb 1.63 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 3h21 h ALA 199 CO 0.18 0.00 0.02 0.52 0.00 0.00 0.00 179.25 179.98 3h21 h MET 200 N 0.14 0.14 0.00 0.00 2.86 -1.27 0.96 114.93 117.75 3h21 h MET 200 Ca 0.06 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3h21 h MET 200 Cb 0.39 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 3h21 h MET 200 CO 0.01 0.09 -0.08 -0.09 1.06 0.00 0.00 176.91 177.90 3h21 h ARG 201 N 0.14 0.00 0.00 1.72 2.43 -0.88 -3.17 114.38 114.61 3h21 h ARG 201 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3h21 h ARG 201 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3h21 h ARG 201 CO -0.43 0.08 -0.01 0.09 -1.51 0.00 0.00 179.97 178.18 3h21 n ASN 202 N -4.03 2.14 -0.27 -3.80 3.02 -0.60 -4.82 115.26 106.90 3h21 n ASN 202 Ca -0.03 -2.68 0.22 0.00 -0.03 0.00 0.00 54.58 52.06 3h21 n ASN 202 Cb 0.16 -0.28 0.54 0.00 -0.61 0.00 0.00 39.78 39.60 3h21 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h21 h LEU 203 N 0.00 0.36 -2.30 3.41 3.38 -0.81 -1.35 115.31 118.00 3h21 h LEU 203 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h21 h LEU 203 Cb 0.85 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3h21 h LEU 203 CO 0.00 0.11 0.01 1.05 0.09 0.00 0.00 178.44 179.70 3h21 h GLU 204 N 0.35 0.00 0.00 1.13 9.09 -1.88 -0.97 114.58 122.30 3h21 h GLU 204 Ca 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.92 3h21 h GLU 204 Cb 1.40 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.50 3h21 h GLU 204 CO -0.19 0.00 -0.03 1.96 0.05 0.00 0.00 179.01 180.80 3h21 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.59 -2.28 115.11 116.51 3h21 h GLN 205 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h21 h GLN 205 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3h21 h GLN 205 CO 0.00 0.03 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.11 3h21 h LEU 206 N 0.00 0.00 -2.16 1.46 3.38 -1.39 -3.05 115.31 113.56 3h21 h LEU 206 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h21 h LEU 206 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3h21 h LEU 206 CO 0.00 0.00 -0.06 0.78 0.09 0.00 0.00 178.44 179.25 3h21 h ASN 207 N 0.00 0.00 0.83 -0.43 2.35 -1.58 -2.55 115.58 114.20 3h21 h ASN 207 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h21 h ASN 207 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3h21 h ASN 207 CO 0.00 0.06 0.00 -0.37 -1.65 0.00 0.00 177.43 175.48 3h21 h VAL 208 N 0.00 0.00 0.00 2.81 -1.51 -1.73 -1.32 116.25 114.50 3h21 h VAL 208 Ca -0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3h21 h VAL 208 Cb 0.24 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 3h21 h VAL 208 CO 0.01 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.28 3h21 h LEU 209 N 0.00 0.00 0.00 4.19 4.07 -1.68 -3.47 115.31 118.42 3h21 h LEU 209 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3h21 h LEU 209 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3h21 h LEU 209 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 3h21 n GLY 210 N 0.43 0.63 3.51 0.83 0.00 -0.50 -5.07 105.19 105.02 3h21 n GLY 210 Ca 0.02 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3h21 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h21 s TYR 211 N -2.00 2.56 0.48 1.61 1.51 -1.26 -5.12 117.35 115.13 3h21 s TYR 211 Ca 0.00 -0.25 -0.22 0.00 -1.01 0.00 0.00 57.07 55.59 3h21 s TYR 211 Cb 0.00 -1.32 -0.09 0.00 -0.11 0.00 0.00 41.96 40.44 3h21 s TYR 211 CO 0.00 0.43 0.99 -2.30 -1.11 0.00 0.00 175.55 173.56 3h21 n PRO 212 N 0.57 1.22 -5.15 -1.71 -0.02 -1.26 -4.78 135.00 123.88 3h21 n PRO 212 Ca -0.14 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 3h21 n PRO 212 Cb 0.54 -2.09 -0.17 0.00 -0.02 0.00 0.00 33.50 31.76 3h21 n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h21 s VAL 213 N -1.37 1.95 -0.18 -1.45 1.01 -1.26 0.11 120.40 119.22 3h21 s VAL 213 Ca 0.67 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 3h21 s VAL 213 Cb -0.50 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3h21 s VAL 213 CO 0.54 0.54 0.04 -0.22 0.00 0.00 0.00 175.10 176.00 3h21 s LEU 214 N 0.36 3.72 -0.24 3.92 0.20 0.98 -0.87 118.68 126.75 3h21 s LEU 214 Ca -0.18 0.05 -0.08 0.00 0.69 0.00 0.00 54.13 54.60 3h21 s LEU 214 Cb -0.18 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.61 3h21 s LEU 214 CO 0.08 0.18 0.10 -0.22 -0.29 0.00 0.00 176.35 176.20 3h21 s LEU 215 N 0.34 3.69 -0.40 -0.68 2.96 -0.10 -4.10 118.68 120.39 3h21 s LEU 215 Ca 0.02 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3h21 s LEU 215 Cb -0.13 -1.99 0.11 0.00 0.50 0.00 0.00 46.19 44.69 3h21 s LEU 215 CO 0.01 0.01 0.16 -0.83 -1.32 0.00 0.00 176.35 174.38 3h21 s GLY 216 N 1.33 2.01 0.00 7.98 0.00 -1.26 -1.21 107.32 116.17 3h21 s GLY 216 Ca 0.06 -2.59 0.00 0.00 0.00 0.00 0.00 44.72 42.19 3h21 s GLY 216 CO 0.05 1.00 0.03 -1.30 0.00 0.00 0.00 173.10 172.88 3h21 n THR 217 N 4.40 0.00 -1.59 0.90 -2.24 -1.26 -4.33 114.28 110.16 3h21 n THR 217 Ca 0.00 -0.36 -0.51 0.00 -2.27 0.00 0.00 64.05 60.91 3h21 n THR 217 Cb 0.41 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 3h21 n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h21 n SER 218 N -0.67 2.64 -1.21 3.42 2.88 -1.26 -1.94 113.62 117.48 3h21 n SER 218 Ca 0.00 0.74 -0.16 0.00 -1.33 0.00 0.00 58.87 58.12 3h21 n SER 218 Cb 0.01 -1.28 -0.07 0.00 -0.75 0.00 0.00 64.21 62.12 3h21 n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h21 n ARG 219 N 7.08 -1.59 -1.33 -1.46 1.74 -1.26 -4.91 116.66 114.92 3h21 n ARG 219 Ca 0.32 1.05 -0.32 0.00 -0.77 0.00 0.00 57.85 58.12 3h21 n ARG 219 Cb 0.23 -5.46 0.09 0.00 -1.02 0.00 0.00 32.46 26.31 3h21 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h21 s LYS 220 N -3.33 2.14 0.30 5.56 1.02 -0.82 -4.84 119.74 119.77 3h21 s LYS 220 Ca 0.00 1.45 0.05 0.00 0.02 0.00 0.00 55.97 57.50 3h21 s LYS 220 Cb 0.00 -1.86 0.72 0.00 -0.52 0.00 0.00 37.83 36.17 3h21 s LYS 220 CO 0.00 -1.77 1.78 1.03 -0.92 0.00 0.00 175.35 175.46 3h21 h SER 221 N -0.74 0.78 0.56 2.83 0.87 -1.92 -2.08 113.55 113.84 3h21 h SER 221 Ca -0.45 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.19 3h21 h SER 221 Cb 1.26 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3h21 h SER 221 CO 0.50 0.28 -0.07 2.19 -0.53 0.00 0.00 176.83 179.20 3h21 h PHE 222 N 0.76 0.00 -0.17 2.24 -5.15 -1.93 0.22 116.94 112.91 3h21 h PHE 222 Ca 0.57 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 58.21 3h21 h PHE 222 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.04 3h21 h PHE 222 CO -0.01 0.07 -0.40 0.82 -2.00 0.00 0.00 178.31 176.79 3h21 h ILE 223 N 0.00 1.34 -0.53 0.88 2.04 -1.74 -2.71 117.51 116.79 3h21 h ILE 223 Ca -0.00 -1.65 0.07 0.00 1.00 0.00 0.00 64.86 64.28 3h21 h ILE 223 Cb 0.37 1.95 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 3h21 h ILE 223 CO 0.01 0.51 0.22 1.23 0.00 0.00 0.00 178.15 180.11 3h21 h GLY 224 N 0.23 0.74 1.50 5.37 0.00 -1.00 0.75 103.07 110.66 3h21 h GLY 224 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 3h21 h GLY 224 CO 0.09 0.03 0.11 0.84 0.00 0.00 0.00 176.54 177.61 3h21 h HIS 225 N 0.42 0.64 0.06 5.60 -0.00 -0.59 0.62 115.15 121.90 3h21 h HIS 225 Ca 0.25 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.47 3h21 h HIS 225 Cb 0.25 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 3h21 h HIS 225 CO -0.14 0.55 -0.55 0.28 -0.00 0.00 0.00 177.93 178.07 3h21 h VAL 226 N 0.62 1.53 0.00 5.26 2.07 -1.14 -3.35 116.25 121.24 3h21 h VAL 226 Ca 0.14 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.26 3h21 h VAL 226 Cb 0.23 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3h21 h VAL 226 CO -0.00 0.62 -0.44 -0.07 0.02 0.00 0.00 177.57 177.70 3h21 h LEU 227 N -0.72 0.00 -2.97 2.57 3.38 -0.69 -3.48 115.31 113.39 3h21 h LEU 227 Ca -0.11 -0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.50 3h21 h LEU 227 Cb 1.32 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.16 3h21 h LEU 227 CO 0.03 0.01 -0.77 -0.67 0.09 0.00 0.00 178.44 177.14 3h21 n ASP 228 N -2.73 -6.01 -3.83 -0.43 2.03 0.22 -5.05 116.55 100.75 3h21 n ASP 228 Ca 0.03 -0.78 -0.13 0.00 0.52 0.00 0.00 54.79 54.43 3h21 n ASP 228 Cb 0.51 -3.91 -0.14 0.00 -0.72 0.00 0.00 41.12 36.87 3h21 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h21 s LEU 229 N -5.64 1.54 0.90 -2.67 1.43 -1.20 -5.08 118.68 107.96 3h21 s LEU 229 Ca 0.34 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 3h21 s LEU 229 Cb -0.10 0.17 0.13 0.00 0.03 0.00 0.00 46.19 46.42 3h21 s LEU 229 CO 0.82 -0.05 1.11 -2.16 0.23 0.00 0.00 176.35 176.30 3h21 s PRO 230 N 0.34 1.27 0.41 1.29 0.04 -1.26 -4.37 135.00 132.72 3h21 s PRO 230 Ca -0.03 0.55 0.26 0.00 0.04 0.00 0.00 61.00 61.82 3h21 s PRO 230 Cb -0.04 -1.83 1.34 0.00 0.04 0.00 0.00 34.50 34.01 3h21 s PRO 230 CO -0.01 -2.17 1.64 -0.24 0.04 0.00 0.00 177.00 176.26 3h21 h VAL 231 N -1.48 0.18 -0.01 -0.36 3.04 -1.97 0.23 116.25 115.87 3h21 h VAL 231 Ca -0.50 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 3h21 h VAL 231 Cb 1.30 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 3h21 h VAL 231 CO 0.59 0.03 -0.09 -1.84 -1.01 0.00 0.00 177.57 175.25 3h21 n GLU 232 N -4.79 1.45 -1.03 4.17 0.00 -1.26 -3.77 120.64 115.42 3h21 n GLU 232 Ca 0.35 -0.88 -0.13 0.00 0.00 0.00 0.00 57.16 56.49 3h21 n GLU 232 Cb 1.30 -1.48 0.18 0.00 0.00 0.00 0.00 31.44 31.44 3h21 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h21 n GLU 233 N -0.00 2.08 -0.19 3.44 -0.58 0.80 -4.72 120.64 121.45 3h21 n GLU 233 Ca 0.16 -3.18 0.09 0.00 -0.42 0.00 0.00 57.16 53.82 3h21 n GLU 233 Cb 0.37 -1.98 0.18 0.00 -0.57 0.00 0.00 31.44 29.44 3h21 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h21 n ARG 234 N -1.11 1.77 -0.11 3.49 1.74 -1.24 -4.74 116.66 116.46 3h21 n ARG 234 Ca 0.44 -2.67 -0.12 0.00 -0.77 0.00 0.00 57.85 54.72 3h21 n ARG 234 Cb 1.23 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 3h21 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h21 h LEU 235 N 0.55 0.78 -0.58 0.55 6.46 -1.87 -1.49 115.31 119.70 3h21 h LEU 235 Ca 0.00 -0.43 -0.12 0.00 -0.12 0.00 0.00 57.88 57.20 3h21 h LEU 235 Cb 1.14 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 3h21 h LEU 235 CO 0.07 1.05 -0.21 -0.33 -0.62 0.00 0.00 178.44 178.40 3h21 h GLU 236 N 0.52 0.91 -0.62 1.25 3.07 -1.99 -1.59 114.58 116.13 3h21 h GLU 236 Ca 0.07 -0.37 -0.10 0.00 -0.50 0.00 0.00 59.36 58.46 3h21 h GLU 236 Cb 0.78 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 3h21 h GLU 236 CO 0.06 1.03 0.01 0.78 -1.40 0.00 0.00 179.01 179.49 3h21 h GLY 237 N 0.92 1.17 1.01 -3.84 0.00 -1.88 -2.32 103.07 98.13 3h21 h GLY 237 Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3h21 h GLY 237 CO 0.06 0.79 0.50 -0.84 0.00 0.00 0.00 176.54 177.05 3h21 h THR 238 N 0.99 1.21 -0.78 4.70 2.02 -1.08 -2.74 112.91 117.22 3h21 h THR 238 Ca 0.18 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3h21 h THR 238 Cb 0.56 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 3h21 h THR 238 CO 0.03 0.21 0.43 1.23 0.37 0.00 0.00 175.52 177.80 3h21 h GLY 239 N 1.08 1.16 0.86 2.16 0.00 -1.04 -0.46 103.07 106.84 3h21 h GLY 239 Ca 0.29 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3h21 h GLY 239 CO -0.06 0.50 -0.07 0.00 0.00 0.00 0.00 176.54 176.91 3h21 h ALA 240 N 1.23 -0.11 -0.58 3.60 0.00 -1.21 -0.38 119.26 121.79 3h21 h ALA 240 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3h21 h ALA 240 Cb 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3h21 h ALA 240 CO -0.05 -0.58 0.28 1.79 0.00 0.00 0.00 179.25 180.70 3h21 h THR 241 N -0.15 1.19 -0.59 0.00 1.35 -1.16 -0.85 112.91 112.70 3h21 h THR 241 Ca 0.02 -0.54 -0.07 0.00 -0.55 0.00 0.00 66.41 65.27 3h21 h THR 241 Cb 0.16 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 3h21 h THR 241 CO -0.05 0.22 0.10 0.58 -0.25 0.00 0.00 175.52 176.13 3h21 h VAL 242 N 0.82 1.26 -0.22 6.82 2.07 -0.91 -0.93 116.25 125.16 3h21 h VAL 242 Ca 0.20 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 3h21 h VAL 242 Cb 0.08 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3h21 h VAL 242 CO -0.03 0.36 -0.10 0.00 0.02 0.00 0.00 177.57 177.82 3h21 h LEU 244 N 0.17 1.00 -0.89 0.00 5.85 -1.16 0.19 115.31 120.46 3h21 h LEU 244 Ca 0.05 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 3h21 h LEU 244 Cb 0.59 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3h21 h LEU 244 CO 0.03 0.98 -0.31 1.23 -0.34 0.00 0.00 178.44 180.03 3h21 h GLY 245 N 1.06 0.49 1.12 3.75 0.00 -1.01 -1.50 103.07 106.98 3h21 h GLY 245 Ca 0.21 -0.43 -0.20 0.00 0.00 0.00 0.00 47.33 46.91 3h21 h GLY 245 CO 0.01 0.39 -0.68 -2.22 0.00 0.00 0.00 176.54 174.03 3h21 h ILE 246 N 0.39 1.29 -0.18 2.60 2.04 -0.63 -1.37 117.51 121.65 3h21 h ILE 246 Ca 0.05 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 3h21 h ILE 246 Cb 0.74 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3h21 h ILE 246 CO 0.06 0.60 0.06 -0.08 0.00 0.00 0.00 178.15 178.78 3h21 h GLU 247 N 0.49 0.25 -0.13 2.37 4.22 -0.40 -2.06 114.58 119.32 3h21 h GLU 247 Ca -0.04 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.38 3h21 h GLU 247 Cb 1.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3h21 h GLU 247 CO 0.14 0.22 0.00 1.63 -2.18 0.00 0.00 179.01 178.82 3h21 n LYS 248 N -4.45 1.37 -0.20 1.92 5.02 -0.58 -4.91 118.16 116.34 3h21 n LYS 248 Ca -0.00 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 3h21 n LYS 248 Cb 0.13 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3h21 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h21 n GLY 249 N 0.85 0.92 3.79 0.72 0.00 -0.77 -4.05 105.19 106.64 3h21 n GLY 249 Ca 0.10 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3h21 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h21 n GLU 251 N 0.16 0.63 -4.06 0.00 4.71 -0.05 -4.72 120.64 117.30 3h21 n GLU 251 Ca 0.04 0.27 -0.13 0.00 -0.01 0.00 0.00 57.16 57.32 3h21 n GLU 251 Cb 0.51 -1.80 -0.11 0.00 -1.01 0.00 0.00 31.44 29.02 3h21 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h21 s PHE 252 N -2.76 0.67 -0.02 -0.32 0.40 -1.07 -1.01 117.98 113.87 3h21 s PHE 252 Ca -0.04 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 55.82 3h21 s PHE 252 Cb 0.08 -0.40 -0.00 0.00 0.51 0.00 0.00 43.02 43.21 3h21 s PHE 252 CO 0.82 -0.08 -0.11 0.14 0.70 0.00 0.00 175.22 176.69 3h21 s VAL 253 N -1.37 0.89 -0.44 -0.44 -7.23 -0.47 -0.92 120.40 110.42 3h21 s VAL 253 Ca -0.10 -0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 59.51 3h21 s VAL 253 Cb -0.10 -0.78 0.06 0.00 0.56 0.00 0.00 36.38 36.13 3h21 s VAL 253 CO 0.00 0.27 0.32 -0.60 -0.31 0.00 0.00 175.10 174.78 3h21 s ARG 254 N 0.07 2.84 0.07 4.82 3.52 -0.35 -0.62 118.95 129.31 3h21 s ARG 254 Ca -0.02 -1.32 0.05 0.00 -0.13 0.00 0.00 55.73 54.32 3h21 s ARG 254 Cb -0.08 -3.96 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 3h21 s ARG 254 CO 0.00 -0.94 -0.14 0.14 -0.81 0.00 0.00 175.30 173.56 3h21 s VAL 255 N 1.57 1.12 -0.10 7.11 -7.23 0.34 -4.25 120.40 118.96 3h21 s VAL 255 Ca 0.04 -1.30 -0.24 0.00 -1.81 0.00 0.00 61.98 58.67 3h21 s VAL 255 Cb -0.23 -1.07 -0.28 0.00 0.56 0.00 0.00 36.38 35.36 3h21 s VAL 255 CO 0.06 -0.22 0.76 0.45 -0.31 0.00 0.00 175.10 175.84 3h21 h HIS 256 N 4.31 0.30 -1.12 2.82 3.86 -1.88 -0.73 115.15 122.71 3h21 h HIS 256 Ca -0.41 -0.22 -0.73 0.00 -1.16 0.00 0.00 60.37 57.85 3h21 h HIS 256 Cb 1.19 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 29.53 3h21 h HIS 256 CO 0.63 1.25 2.19 -0.25 0.86 0.00 0.00 177.93 182.61 3h21 n ASP 257 N -4.29 4.79 -0.28 2.45 9.92 -1.26 -4.79 116.55 123.09 3h21 n ASP 257 Ca -0.15 -2.99 0.04 0.00 -0.53 0.00 0.00 54.79 51.16 3h21 n ASP 257 Cb 0.70 -1.58 0.18 0.00 -0.64 0.00 0.00 41.12 39.78 3h21 n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h21 h VAL 258 N 4.24 0.81 0.04 2.53 2.07 -1.94 -1.39 116.25 122.61 3h21 h VAL 258 Ca 0.43 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 3h21 h VAL 258 Cb 0.71 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3h21 h VAL 258 CO 1.59 0.12 -0.02 0.50 0.02 0.00 0.00 177.57 179.78 3h21 h LYS 259 N 0.66 -0.05 0.09 1.57 3.64 -1.88 -1.53 116.57 119.07 3h21 h LYS 259 Ca 0.41 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3h21 h LYS 259 Cb 0.48 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3h21 h LYS 259 CO -0.30 0.24 -0.04 0.93 -2.27 0.00 0.00 179.45 178.00 3h21 h GLU 260 N -0.34 -0.12 -0.48 1.90 3.07 -1.88 -2.99 114.58 113.75 3h21 h GLU 260 Ca -0.01 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 3h21 h GLU 260 Cb 0.31 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3h21 h GLU 260 CO 0.01 0.12 -0.03 0.52 -1.40 0.00 0.00 179.01 178.23 3h21 h MET 261 N -0.35 0.81 -0.79 2.33 2.86 -1.27 -1.97 114.93 116.55 3h21 h MET 261 Ca -0.01 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.44 3h21 h MET 261 Cb 0.30 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 3h21 h MET 261 CO 0.02 0.84 0.49 0.77 1.06 0.00 0.00 176.91 180.09 3h21 h SER 262 N 0.75 0.77 -0.37 1.22 0.02 -1.30 0.12 113.55 114.76 3h21 h SER 262 Ca 0.14 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3h21 h SER 262 Cb 0.50 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3h21 h SER 262 CO 0.03 0.51 0.08 0.03 -1.14 0.00 0.00 176.83 176.34 3h21 h ARG 263 N 0.91 0.60 -0.26 3.45 3.08 -1.32 -1.25 114.38 119.60 3h21 h ARG 263 Ca 0.34 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3h21 h ARG 263 Cb 0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3h21 h ARG 263 CO -0.15 0.65 0.12 0.52 -1.07 0.00 0.00 179.97 180.03 3h21 h MET 264 N 0.46 0.37 -0.58 0.04 2.86 -1.00 -1.06 114.93 116.02 3h21 h MET 264 Ca 0.12 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.79 3h21 h MET 264 Cb 0.32 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.84 3h21 h MET 264 CO 0.00 0.39 0.20 0.00 1.06 0.00 0.00 176.91 178.56 3h21 h ALA 265 N 0.97 0.74 -0.43 6.32 0.00 -0.78 0.72 119.26 126.79 3h21 h ALA 265 Ca 0.09 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3h21 h ALA 265 Cb 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3h21 h ALA 265 CO -0.01 -0.22 -0.03 -0.22 0.00 0.00 0.00 179.25 178.77 3h21 h LYS 266 N 0.37 0.70 -0.04 0.00 3.64 -1.00 0.09 116.57 120.33 3h21 h LYS 266 Ca 0.30 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 3h21 h LYS 266 Cb 0.37 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3h21 h LYS 266 CO -0.31 0.74 -0.60 1.98 -2.27 0.00 0.00 179.45 178.99 3h21 h MET 267 N 0.66 0.48 -0.13 1.90 4.05 -0.60 -2.85 114.93 118.44 3h21 h MET 267 Ca 0.13 -0.46 0.05 0.00 -0.28 0.00 0.00 59.70 59.14 3h21 h MET 267 Cb 0.45 0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 31.30 3h21 h MET 267 CO 0.02 1.10 -0.36 0.52 0.23 0.00 0.00 176.91 178.42 3h21 h MET 268 N 0.03 -0.42 -0.88 0.39 2.86 -0.67 -1.96 114.93 114.28 3h21 h MET 268 Ca -0.06 0.03 0.23 0.00 -2.06 0.00 0.00 59.70 57.83 3h21 h MET 268 Cb 1.27 0.10 -0.13 0.00 0.06 0.00 0.00 31.60 32.90 3h21 h MET 268 CO 0.12 -0.28 0.31 -0.44 1.06 0.00 0.00 176.91 177.67 3h21 h ASP 269 N -0.44 0.15 -0.21 1.22 3.45 -1.03 0.34 116.42 119.91 3h21 h ASP 269 Ca 0.09 0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.70 3h21 h ASP 269 Cb 0.58 0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 3h21 h ASP 269 CO -0.37 -0.09 0.02 0.00 -1.57 0.00 0.00 179.24 177.24 3h21 h ALA 270 N 1.74 0.28 -0.58 3.45 0.00 -1.18 -0.09 119.26 122.88 3h21 h ALA 270 Ca 0.55 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3h21 h ALA 270 Cb 1.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3h21 h ALA 270 CO -0.59 -0.04 0.19 0.52 0.00 0.00 0.00 179.25 179.33 3h21 h MET 271 N 0.14 0.90 0.00 0.00 2.86 -0.42 -2.94 114.93 115.46 3h21 h MET 271 Ca 0.06 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3h21 h MET 271 Cb 0.34 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3h21 h MET 271 CO 0.01 0.80 0.00 0.44 1.06 0.00 0.00 176.91 179.22 3h21 n ILE 272 N -4.43 0.55 -1.47 -1.22 -5.35 -0.04 -4.94 119.36 102.46 3h21 n ILE 272 Ca 0.03 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 3h21 n ILE 272 Cb 0.20 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 3h21 n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h21 n GLY 273 N 1.27 0.41 0.00 3.28 0.00 -0.12 -5.06 105.19 104.96 3h21 n GLY 273 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3h21 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49