#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuj s PRO 4 N 0.00 1.71 0.63 3.23 0.04 -1.26 -5.04 135.00 134.31 2nuj s PRO 4 Ca 0.00 -0.09 -0.17 0.00 0.04 0.00 0.00 61.00 60.78 2nuj s PRO 4 Cb 0.00 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2nuj s PRO 4 CO 0.00 -1.71 1.17 -1.25 0.04 0.00 0.00 177.00 175.25 2nuj s PRO 5 N -5.58 2.82 0.45 0.56 0.04 -1.26 -5.04 135.00 127.00 2nuj s PRO 5 Ca 0.64 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 2nuj s PRO 5 Cb -0.09 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2nuj s PRO 5 CO 0.49 -1.29 0.71 0.71 0.04 0.00 0.00 177.00 177.66 2nuj s TYR 6 N -1.87 3.40 -1.43 0.56 2.02 -1.26 -4.42 117.35 114.34 2nuj s TYR 6 Ca 0.74 0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 57.92 2nuj s TYR 6 Cb -0.27 -2.27 0.01 0.00 -0.40 0.00 0.00 41.96 39.03 2nuj s TYR 6 CO 0.36 -0.28 0.12 0.72 -1.57 0.00 0.00 175.55 174.90 2nuj n HIS 7 N -2.14 -1.36 -3.89 2.71 8.25 -0.74 -4.91 115.22 113.14 2nuj n HIS 7 Ca 0.00 0.11 -0.20 0.00 -0.26 0.00 0.00 57.72 57.38 2nuj n HIS 7 Cb 0.56 -3.50 -0.17 0.00 1.12 0.00 0.00 29.99 28.01 2nuj n HIS 7 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2nuj s THR 8 N -2.89 0.25 0.01 1.59 2.01 -1.26 -5.03 115.64 110.33 2nuj s THR 8 Ca 0.07 0.11 -0.36 0.00 0.31 0.00 0.00 61.69 61.82 2nuj s THR 8 Cb -0.04 -0.38 -0.15 0.00 0.01 0.00 0.00 72.50 71.95 2nuj s THR 8 CO 0.09 0.19 1.58 -2.65 -0.69 0.00 0.00 174.62 173.15 2nuj n PRO 9 N 4.56 1.63 -3.81 4.92 -0.02 -1.26 -4.55 135.00 136.47 2nuj n PRO 9 Ca -0.18 0.59 -0.36 0.00 -2.02 0.00 0.00 63.50 61.53 2nuj n PRO 9 Cb 0.50 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 2nuj n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nuj s LEU 10 N 1.81 3.39 0.89 2.45 1.43 -0.01 -4.93 118.68 123.71 2nuj s LEU 10 Ca 0.87 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 2nuj s LEU 10 Cb -0.85 -1.84 0.13 0.00 0.03 0.00 0.00 46.19 43.66 2nuj s LEU 10 CO 0.48 -0.08 1.16 -2.16 0.23 0.00 0.00 176.35 175.99 2nuj s PRO 11 N 1.53 1.28 0.23 1.29 0.04 -1.26 -1.07 135.00 137.03 2nuj s PRO 11 Ca 0.05 0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.18 2nuj s PRO 11 Cb -0.15 -1.87 0.37 0.00 0.04 0.00 0.00 34.50 32.89 2nuj s PRO 11 CO 0.01 -2.08 1.69 0.00 0.04 0.00 0.00 177.00 176.66 2nuj h ALA 12 N -1.41 0.82 -0.40 8.56 0.00 -1.74 -0.98 119.26 124.11 2nuj h ALA 12 Ca -0.48 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2nuj h ALA 12 Cb 1.32 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2nuj h ALA 12 CO 0.60 -0.32 0.17 1.05 0.00 0.00 0.00 179.25 180.75 2nuj h GLU 13 N 0.26 0.56 -0.37 0.00 9.09 -1.93 -0.56 114.58 121.63 2nuj h GLU 13 Ca 0.36 -0.07 -0.10 0.00 0.05 0.00 0.00 59.36 59.60 2nuj h GLU 13 Cb 0.58 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 2nuj h GLU 13 CO -0.46 0.46 -0.17 1.15 0.05 0.00 0.00 179.01 180.04 2nuj h THR 14 N 0.56 1.28 -0.27 -1.06 2.02 -1.56 -2.38 112.91 111.50 2nuj h THR 14 Ca 0.14 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 66.06 2nuj h THR 14 Cb 0.10 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2nuj h THR 14 CO -0.02 0.43 0.09 -0.07 0.37 0.00 0.00 175.52 176.32 2nuj h LEU 15 N 0.55 0.09 -0.99 2.58 3.38 -0.61 -1.79 115.31 118.52 2nuj h LEU 15 Ca 0.08 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2nuj h LEU 15 Cb 0.71 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2nuj h LEU 15 CO 0.05 0.09 0.45 0.03 0.09 0.00 0.00 178.44 179.14 2nuj h ARG 16 N 0.21 1.16 0.00 1.13 2.47 -1.12 0.25 114.38 118.48 2nuj h ARG 16 Ca 0.12 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2nuj h ARG 16 Cb 0.09 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 28.18 2nuj h ARG 16 CO -0.13 0.85 -0.12 0.00 0.56 0.00 0.00 179.97 181.14 2nuj h ALA 17 N 1.33 1.36 -0.28 0.04 0.00 -0.98 -0.63 119.26 120.11 2nuj h ALA 17 Ca 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2nuj h ALA 17 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2nuj h ALA 17 CO -0.05 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.63 2nuj n LEU 18 N -3.75 2.01 -1.20 0.00 4.77 -0.44 -4.92 117.00 113.47 2nuj n LEU 18 Ca -0.02 -0.91 -0.11 0.00 -0.03 0.00 0.00 56.01 54.94 2nuj n LEU 18 Cb 0.22 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2nuj n LEU 18 CO 0.31 0.46 -0.14 -1.20 -1.33 0.00 0.00 177.39 175.49 2nuj n SER 19 N 0.56 -3.56 -4.56 -1.43 7.64 -0.24 -4.80 113.62 107.24 2nuj n SER 19 Ca 0.15 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.66 2nuj n SER 19 Cb 0.36 -2.76 -0.11 0.00 -1.01 0.00 0.00 64.21 60.68 2nuj n SER 19 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2nuj s ILE 20 N -2.53 5.02 0.66 0.44 1.01 0.76 -4.94 121.20 121.63 2nuj s ILE 20 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 2nuj s ILE 20 Cb 0.00 -3.37 0.05 0.00 0.01 0.00 0.00 42.46 39.15 2nuj s ILE 20 CO 0.00 0.29 0.96 -2.16 0.00 0.00 0.00 174.94 174.04 2nuj s PRO 21 N 1.61 2.38 0.54 2.79 0.04 -1.26 -3.29 135.00 137.80 2nuj s PRO 21 Ca 0.07 -0.27 -0.19 0.00 0.04 0.00 0.00 61.00 60.65 2nuj s PRO 21 Cb -0.15 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 2nuj s PRO 21 CO 0.08 -1.07 0.59 0.00 0.04 0.00 0.00 177.00 176.64 2nuj n ALA 22 N -2.79 -1.01 1.03 8.56 0.00 -1.26 -2.18 120.51 122.87 2nuj n ALA 22 Ca 0.07 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.59 2nuj n ALA 22 Cb 0.60 -1.86 0.13 0.00 0.00 0.00 0.00 19.45 18.33 2nuj n ALA 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2nuj n PRO 23 N 0.01 1.70 -2.49 0.00 -0.04 -1.26 -5.12 135.00 127.80 2nuj n PRO 23 Ca 0.12 -1.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.07 2nuj n PRO 23 Cb 0.46 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 2nuj n PRO 23 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2nuj s TRP 24 N -1.59 3.53 0.00 0.54 0.52 -0.92 -4.91 118.94 116.10 2nuj s TRP 24 Ca 0.20 1.48 0.00 0.00 0.02 0.00 0.00 56.10 57.80 2nuj s TRP 24 Cb 0.11 -3.32 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 2nuj s TRP 24 CO 0.14 -0.85 0.12 0.25 0.02 0.00 0.00 176.95 176.63 2nuj n THR 25 N 3.18 0.00 -3.61 2.01 -2.24 -1.26 -4.74 114.28 107.61 2nuj n THR 25 Ca 0.06 -0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 2nuj n THR 25 Cb 0.47 1.16 -0.16 0.00 -2.10 0.00 0.00 70.33 69.71 2nuj n THR 25 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2nuj s PHE 26 N -0.35 -0.09 0.14 4.78 2.19 -1.25 -2.24 117.98 121.15 2nuj s PHE 26 Ca 0.00 0.27 0.05 0.00 0.33 0.00 0.00 56.93 57.58 2nuj s PHE 26 Cb 0.00 -0.41 -0.04 0.00 -1.31 0.00 0.00 43.02 41.26 2nuj s PHE 26 CO 0.00 -0.40 -0.12 0.20 1.83 0.00 0.00 175.22 176.73 2nuj s GLY 27 N 2.25 1.11 -0.06 13.12 0.00 -0.23 -3.12 107.32 120.39 2nuj s GLY 27 Ca 0.04 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 43.31 2nuj s GLY 27 CO -0.08 -1.51 0.14 1.08 0.00 0.00 0.00 173.10 172.73 2nuj s LEU 28 N -2.89 0.75 0.04 0.66 1.43 0.08 -0.83 118.68 117.92 2nuj s LEU 28 Ca 0.14 0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.52 2nuj s LEU 28 Cb -0.01 0.33 -0.04 0.00 0.03 0.00 0.00 46.19 46.50 2nuj s LEU 28 CO 0.02 -0.15 0.17 0.00 0.23 0.00 0.00 176.35 176.63 2nuj s ALA 29 N 1.16 3.89 0.21 4.21 0.00 -1.26 -0.34 121.76 129.63 2nuj s ALA 29 Ca -0.09 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 2nuj s ALA 29 Cb -0.12 -1.77 0.03 0.00 0.00 0.00 0.00 23.12 21.27 2nuj s ALA 29 CO -0.06 0.78 0.40 -3.47 0.00 0.00 0.00 175.76 173.42 2nuj n ASP 30 N 0.59 -1.16 -3.96 0.00 -0.08 -0.57 -1.80 116.55 109.56 2nuj n ASP 30 Ca -0.08 -1.86 -0.15 0.00 -1.51 0.00 0.00 54.79 51.20 2nuj n ASP 30 Cb 0.52 1.95 -0.14 0.00 2.34 0.00 0.00 41.12 45.79 2nuj n ASP 30 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2nuj s ARG 31 N -2.09 0.39 0.25 -0.67 3.52 -1.26 -1.27 118.95 117.83 2nuj s ARG 31 Ca 0.09 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.14 2nuj s ARG 31 Cb -0.02 -0.35 -0.12 0.00 -1.56 0.00 0.00 34.95 32.90 2nuj s ARG 31 CO 0.07 0.09 1.67 0.28 -0.81 0.00 0.00 175.30 176.60 2nuj n VAL 32 N 2.76 0.52 -3.77 7.11 0.31 -0.03 -4.96 118.33 120.27 2nuj n VAL 32 Ca -0.14 -0.13 -0.29 0.00 -0.01 0.00 0.00 64.34 63.77 2nuj n VAL 32 Cb 0.58 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 31.48 2nuj n VAL 32 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2nuj s ARG 33 N 0.32 3.52 0.27 5.55 0.52 -1.26 -3.10 118.95 124.77 2nuj s ARG 33 Ca 0.69 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.58 2nuj s ARG 33 Cb -0.49 -2.90 0.58 0.00 0.52 0.00 0.00 34.95 32.65 2nuj s ARG 33 CO 0.40 0.48 1.75 0.35 0.02 0.00 0.00 175.30 178.31 2nuj h PHE 34 N 2.50 0.78 0.00 -0.53 3.57 -1.98 -1.72 116.94 119.55 2nuj h PHE 34 Ca -0.47 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2nuj h PHE 34 Cb 1.18 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.70 2nuj h PHE 34 CO 0.58 0.15 0.00 0.78 -2.23 0.00 0.00 178.31 177.59 2nuj h GLY 35 N 0.60 0.00 1.70 2.40 0.00 -2.03 -2.00 103.07 103.74 2nuj h GLY 35 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2nuj h GLY 35 CO -0.39 0.00 -0.18 1.18 0.00 0.00 0.00 176.54 177.15 2nuj n GLU 36 N -2.86 0.12 -2.72 4.80 1.02 -0.65 -4.90 120.64 115.46 2nuj n GLU 36 Ca -0.01 0.07 -0.40 0.00 -0.02 0.00 0.00 57.16 56.80 2nuj n GLU 36 Cb 0.17 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 2nuj n GLU 36 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2nuj s LEU 37 N -3.61 4.58 0.72 -4.62 1.43 -0.75 -0.80 118.68 115.63 2nuj s LEU 37 Ca 0.11 1.91 -0.01 0.00 -1.03 0.00 0.00 54.13 55.11 2nuj s LEU 37 Cb 0.16 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.90 2nuj s LEU 37 CO 0.61 0.04 1.00 1.51 0.23 0.00 0.00 176.35 179.74 2nuj s ASP 38 N -0.67 4.34 0.00 2.29 1.47 0.11 -4.86 116.67 119.35 2nuj s ASP 38 Ca 0.44 -0.33 0.01 0.00 1.18 0.00 0.00 52.55 53.84 2nuj s ASP 38 Cb -0.25 -0.05 0.02 0.00 -0.34 0.00 0.00 42.92 42.30 2nuj s ASP 38 CO 0.32 -1.87 1.00 0.00 0.68 0.00 0.00 175.17 175.30 2nuj n ALA 39 N -2.85 1.04 -1.06 2.11 0.00 -1.26 -1.15 120.51 117.34 2nuj n ALA 39 Ca 0.15 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.66 2nuj n ALA 39 Cb 0.61 -1.01 0.23 0.00 0.00 0.00 0.00 19.45 19.28 2nuj n ALA 39 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2nuj n ILE 40 N -1.48 2.25 -0.55 0.00 -5.35 -1.26 -4.97 119.36 107.99 2nuj n ILE 40 Ca 0.00 -2.04 0.00 0.00 -0.27 0.00 0.00 62.75 60.44 2nuj n ILE 40 Cb 0.01 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 2nuj n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nuj n GLY 41 N -0.73 0.75 3.74 3.28 0.00 -0.30 -5.06 105.19 106.87 2nuj n GLY 41 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2nuj n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nuj s HIS 42 N -2.54 3.11 0.19 1.61 3.76 -1.26 -4.50 115.29 115.66 2nuj s HIS 42 Ca 0.00 0.04 -0.33 0.00 -0.15 0.00 0.00 55.06 54.62 2nuj s HIS 42 Cb 0.00 -1.58 -0.13 0.00 1.11 0.00 0.00 32.58 31.98 2nuj s HIS 42 CO 0.00 0.51 1.63 0.28 -0.85 0.00 0.00 174.74 176.30 2nuj n VAL 43 N 0.46 0.13 -2.26 -0.90 0.31 -1.26 0.07 118.33 114.87 2nuj n VAL 43 Ca -0.09 -0.03 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 2nuj n VAL 43 Cb 0.52 -1.74 -0.02 0.00 -0.91 0.00 0.00 33.84 31.70 2nuj n VAL 43 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2nuj s ASN 44 N 0.95 6.26 0.53 4.52 2.20 0.02 -4.81 114.94 124.61 2nuj s ASN 44 Ca 0.76 1.69 0.26 0.00 -0.94 0.00 0.00 52.86 54.63 2nuj s ASN 44 Cb -0.60 -2.52 1.49 0.00 -2.00 0.00 0.00 41.25 37.62 2nuj s ASN 44 CO 0.37 -0.84 2.12 1.12 -2.94 0.00 0.00 177.10 176.93 2nuj h HIS 45 N 0.77 0.00 0.00 1.54 2.07 -1.91 -0.70 115.15 116.92 2nuj h HIS 45 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2nuj h HIS 45 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2nuj h HIS 45 CO 0.61 0.09 -0.23 1.79 -3.07 0.00 0.00 177.93 177.12 2nuj h THR 46 N 0.00 0.00 -0.79 6.12 1.35 -1.95 -3.26 112.91 114.38 2nuj h THR 46 Ca -0.00 -0.87 -0.04 0.00 -0.55 0.00 0.00 66.41 64.95 2nuj h THR 46 Cb 0.22 1.75 -0.04 0.00 -1.73 0.00 0.00 68.15 68.35 2nuj h THR 46 CO 0.01 0.00 0.34 0.00 -0.25 0.00 0.00 175.52 175.63 2nuj h ALA 47 N 2.13 1.02 -0.96 6.62 0.00 -1.46 -1.70 119.26 124.92 2nuj h ALA 47 Ca 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.89 2nuj h ALA 47 Cb 0.93 -0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2nuj h ALA 47 CO 0.00 0.62 0.57 1.88 0.00 0.00 0.00 179.25 182.31 2nuj h TYR 48 N 1.13 1.01 -0.30 0.00 -1.99 -1.67 -0.25 116.97 114.90 2nuj h TYR 48 Ca 0.27 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 61.00 2nuj h TYR 48 Cb 0.17 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 2nuj h TYR 48 CO 0.02 0.29 0.07 -0.07 -0.00 0.00 0.00 178.16 178.46 2nuj h LEU 49 N 0.80 0.46 -1.06 3.88 -0.00 -1.49 -1.79 115.31 116.10 2nuj h LEU 49 Ca 0.52 -0.24 0.04 0.00 -0.00 0.00 0.00 57.88 58.20 2nuj h LEU 49 Cb 0.70 -0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 41.18 2nuj h LEU 49 CO -0.34 0.58 0.63 0.03 -0.00 0.00 0.00 178.44 179.34 2nuj h ARG 50 N 0.32 1.18 -0.59 1.13 2.47 -0.52 0.34 114.38 118.71 2nuj h ARG 50 Ca 0.09 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2nuj h ARG 50 Cb 0.30 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 2nuj h ARG 50 CO 0.00 0.78 0.24 -1.49 0.56 0.00 0.00 179.97 180.06 2nuj h TRP 51 N 1.21 0.89 -0.64 3.04 6.55 -0.62 0.25 115.95 126.65 2nuj h TRP 51 Ca 0.39 -0.07 -0.09 0.00 0.95 0.00 0.00 58.89 60.07 2nuj h TRP 51 Cb 0.02 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.03 2nuj h TRP 51 CO -0.00 0.71 0.03 1.88 -1.05 0.00 0.00 178.44 180.02 2nuj h TYR 52 N 0.81 1.19 0.03 0.49 0.05 -0.94 -1.18 116.97 117.42 2nuj h TYR 52 Ca 0.20 -0.19 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2nuj h TYR 52 Cb 0.20 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2nuj h TYR 52 CO 0.01 1.03 -0.02 1.49 -1.05 0.00 0.00 178.16 179.62 2nuj h GLU 53 N 1.01 -0.04 -0.78 4.88 4.81 -0.66 -2.16 114.58 121.64 2nuj h GLU 53 Ca 0.18 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.53 2nuj h GLU 53 Cb 0.53 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 2nuj h GLU 53 CO 0.03 -0.03 0.40 0.77 -0.73 0.00 0.00 179.01 179.45 2nuj h SER 54 N -0.04 0.52 -0.87 1.04 0.02 -0.83 -2.19 113.55 111.18 2nuj h SER 54 Ca -0.00 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2nuj h SER 54 Cb 0.03 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 2nuj h SER 54 CO 0.01 0.27 0.57 0.15 -1.14 0.00 0.00 176.83 176.68 2nuj h PHE 55 N 0.64 1.07 -0.03 3.45 3.04 -0.99 -2.98 116.94 121.14 2nuj h PHE 55 Ca 0.40 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.37 2nuj h PHE 55 Cb 0.46 -0.36 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 2nuj h PHE 55 CO -0.10 0.62 0.01 0.00 -2.02 0.00 0.00 178.31 176.83 2nuj h ARG 56 N 1.11 0.04 0.52 1.11 3.08 -0.73 -2.66 114.38 116.85 2nuj h ARG 56 Ca 0.34 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 2nuj h ARG 56 Cb -0.02 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.03 2nuj h ARG 56 CO -0.11 0.03 -0.25 -0.07 -1.07 0.00 0.00 179.97 178.51 2nuj h LEU 57 N 0.04 -0.59 -0.94 3.04 3.38 -1.54 -1.11 115.31 117.60 2nuj h LEU 57 Ca 0.01 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2nuj h LEU 57 Cb 0.01 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2nuj h LEU 57 CO -0.00 -0.21 0.21 1.55 0.09 0.00 0.00 178.44 180.07 2nuj h PRO 58 N -1.02 0.98 -0.54 1.13 0.13 -1.73 -3.05 132.00 127.90 2nuj h PRO 58 Ca -0.07 -0.19 0.03 0.00 -0.87 0.00 0.00 66.00 64.90 2nuj h PRO 58 Cb 0.61 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 2nuj h PRO 58 CO 0.12 0.83 0.31 0.35 -0.23 0.00 0.00 178.00 179.38 2nuj h PHE 59 N 0.95 0.57 0.00 1.56 3.57 -1.42 -0.27 116.94 121.90 2nuj h PHE 59 Ca 0.21 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2nuj h PHE 59 Cb 0.26 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 2nuj h PHE 59 CO 0.02 0.31 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.18 2nuj h LEU 60 N 0.60 0.00 -0.02 0.59 3.38 -1.14 0.78 115.31 119.50 2nuj h LEU 60 Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2nuj h LEU 60 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2nuj h LEU 60 CO -0.12 0.16 -0.14 0.50 0.09 0.00 0.00 178.44 178.94 2nuj h LYS 61 N 0.00 0.13 -0.70 1.13 3.64 -1.39 -0.06 116.57 119.33 2nuj h LYS 61 Ca -0.00 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2nuj h LYS 61 Cb 0.88 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 2nuj h LYS 61 CO 0.02 0.78 0.46 0.00 -2.27 0.00 0.00 179.45 178.45 2nuj h ALA 62 N 0.35 1.85 -0.13 5.00 0.00 -0.54 -1.75 119.26 124.04 2nuj h ALA 62 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2nuj h ALA 62 Cb 0.81 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2nuj h ALA 62 CO 0.03 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.83 2nuj n ARG 63 N -4.49 1.61 -1.55 0.00 5.12 0.22 -4.93 116.66 112.64 2nuj n ARG 63 Ca 0.11 -0.91 -0.06 0.00 -1.93 0.00 0.00 57.85 55.07 2nuj n ARG 63 Cb 0.32 -1.39 -0.01 0.00 -1.16 0.00 0.00 32.46 30.22 2nuj n ARG 63 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2nuj n HIS 64 N 0.13 -0.11 0.10 -1.55 8.25 -0.66 -3.54 115.22 117.84 2nuj n HIS 64 Ca 0.16 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.43 2nuj n HIS 64 Cb 0.29 -1.50 -0.15 0.00 1.12 0.00 0.00 29.99 29.76 2nuj n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2nuj h VAL 65 N 0.00 1.28 -2.46 1.59 2.07 -1.23 -3.37 116.25 114.13 2nuj h VAL 65 Ca -0.12 -2.84 -0.09 0.00 0.82 0.00 0.00 66.70 64.48 2nuj h VAL 65 Cb 0.67 2.89 -0.21 0.00 -1.52 0.00 0.00 31.29 33.12 2nuj h VAL 65 CO 0.16 0.85 -0.05 0.28 0.02 0.00 0.00 177.57 178.83 2nuj s THR 66 N -2.62 0.02 -1.47 2.57 -1.32 -1.18 -4.74 115.64 106.90 2nuj s THR 66 Ca -0.08 -0.14 0.13 0.00 -1.21 0.00 0.00 61.69 60.38 2nuj s THR 66 Cb 0.06 -0.80 0.16 0.00 -1.51 0.00 0.00 72.50 70.41 2nuj s THR 66 CO 0.89 -0.08 1.00 -0.90 -2.21 0.00 0.00 174.62 173.31 2nuj n ASP 67 N 1.70 2.30 -1.32 8.08 5.68 -1.26 -3.88 116.55 127.85 2nuj n ASP 67 Ca -0.18 -1.64 -0.16 0.00 -0.50 0.00 0.00 54.79 52.31 2nuj n ASP 67 Cb 0.56 -0.06 -0.06 0.00 -1.14 0.00 0.00 41.12 40.42 2nuj n ASP 67 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2nuj n TYR 68 N 0.71 -0.10 -1.47 2.11 4.01 -1.26 -5.01 117.16 116.15 2nuj n TYR 68 Ca 0.09 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.54 2nuj n TYR 68 Cb 0.35 -2.88 0.17 0.00 -0.31 0.00 0.00 39.34 36.67 2nuj n TYR 68 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2nuj s GLY 69 N -2.76 1.61 0.57 2.72 0.00 -1.26 -4.91 107.32 103.30 2nuj s GLY 69 Ca 0.00 -0.73 0.28 0.00 0.00 0.00 0.00 44.72 44.26 2nuj s GLY 69 CO 0.00 -0.05 1.99 -0.56 0.00 0.00 0.00 173.10 174.47 2nuj h PRO 70 N -1.82 0.00 0.00 2.90 0.13 -2.03 -2.36 132.00 128.83 2nuj h PRO 70 Ca -0.48 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 2nuj h PRO 70 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2nuj h PRO 70 CO 0.51 0.00 -1.12 1.79 -0.23 0.00 0.00 178.00 178.95 2nuj h THR 71 N 0.00 1.08 -3.83 1.56 1.35 -2.01 -3.49 112.91 107.57 2nuj h THR 71 Ca 0.19 -2.69 -0.48 0.00 -0.55 0.00 0.00 66.41 62.87 2nuj h THR 71 Cb 0.92 2.49 0.19 0.00 -1.73 0.00 0.00 68.15 70.02 2nuj h THR 71 CO -0.00 0.61 0.14 -0.94 -0.25 0.00 0.00 175.52 175.09 2nuj s SER 72 N -6.33 2.24 0.61 5.36 1.04 -0.89 -4.65 113.70 111.08 2nuj s SER 72 Ca -0.00 1.79 -0.18 0.00 0.48 0.00 0.00 55.95 58.04 2nuj s SER 72 Cb 0.09 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 2nuj s SER 72 CO 0.80 -3.46 1.16 -2.16 0.98 0.00 0.00 173.24 170.56 2nuj s PRO 73 N -4.63 2.96 -0.00 4.02 0.04 -1.26 -4.40 135.00 131.73 2nuj s PRO 73 Ca 0.67 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 2nuj s PRO 73 Cb -0.23 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2nuj s PRO 73 CO 0.60 -1.17 0.98 0.50 0.04 0.00 0.00 177.00 177.95 2nuj s ARG 74 N -3.57 4.55 -0.24 4.56 3.52 0.43 -4.90 118.95 123.30 2nuj s ARG 74 Ca 0.73 1.41 -0.13 0.00 -0.13 0.00 0.00 55.73 57.61 2nuj s ARG 74 Cb -0.26 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 2nuj s ARG 74 CO 0.34 -0.06 0.27 -0.51 -0.81 0.00 0.00 175.30 174.54 2nuj s LEU 75 N 1.05 4.09 -0.14 -0.88 1.43 -1.26 -1.19 118.68 121.78 2nuj s LEU 75 Ca 0.52 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 2nuj s LEU 75 Cb -0.21 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.74 2nuj s LEU 75 CO 0.27 -0.05 -0.19 -0.69 0.23 0.00 0.00 176.35 175.93 2nuj s VAL 76 N 1.48 1.86 -0.09 -1.59 1.01 -0.28 -4.99 120.40 117.80 2nuj s VAL 76 Ca 0.12 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 2nuj s VAL 76 Cb -0.15 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2nuj s VAL 76 CO 0.08 0.51 0.92 -0.22 0.00 0.00 0.00 175.10 176.38 2nuj s LEU 77 N 0.99 4.27 -0.09 3.92 2.96 -1.26 -1.09 118.68 128.38 2nuj s LEU 77 Ca -0.04 1.42 0.14 0.00 -0.22 0.00 0.00 54.13 55.44 2nuj s LEU 77 Cb -0.15 -3.41 -0.21 0.00 0.50 0.00 0.00 46.19 42.92 2nuj s LEU 77 CO -0.04 -0.35 0.19 0.29 -1.32 0.00 0.00 176.35 175.12 2nuj n LYS 78 N 4.65 1.08 -3.57 1.98 4.76 -0.33 -4.99 118.16 121.75 2nuj n LYS 78 Ca 0.06 -0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.29 2nuj n LYS 78 Cb 0.50 -1.37 -0.06 0.00 -1.84 0.00 0.00 35.03 32.25 2nuj n LYS 78 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2nuj s GLN 79 N -2.70 0.77 0.06 1.97 0.74 -1.23 -4.98 119.66 114.29 2nuj s GLN 79 Ca -0.07 0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.64 2nuj s GLN 79 Cb 0.07 0.36 -0.04 0.00 1.10 0.00 0.00 33.01 34.51 2nuj s GLN 79 CO 0.62 -0.22 -0.05 0.14 -0.55 0.00 0.00 175.29 175.24 2nuj s VAL 80 N -0.89 0.37 0.06 1.34 -7.23 -1.26 -1.28 120.40 111.51 2nuj s VAL 80 Ca -0.04 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 2nuj s VAL 80 Cb -0.01 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 2nuj s VAL 80 CO 0.04 -0.80 -0.09 -1.38 -0.31 0.00 0.00 175.10 172.56 2nuj s HIS 81 N -3.11 0.80 -0.12 2.82 -0.00 -0.89 -4.97 115.29 109.83 2nuj s HIS 81 Ca 0.02 -0.57 -0.11 0.00 -0.00 0.00 0.00 55.06 54.41 2nuj s HIS 81 Cb 0.02 -0.47 0.03 0.00 -0.00 0.00 0.00 32.58 32.16 2nuj s HIS 81 CO -0.06 -0.07 0.32 0.00 -0.00 0.00 0.00 174.74 174.94 2nuj s THR 83 N 0.23 2.58 -0.29 0.00 -4.23 1.00 -4.99 115.64 109.93 2nuj s THR 83 Ca -0.00 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 2nuj s THR 83 Cb -0.03 -2.20 0.09 0.00 1.34 0.00 0.00 72.50 71.70 2nuj s THR 83 CO -0.00 0.01 0.03 -0.31 -0.54 0.00 0.00 174.62 173.80 2nuj s TYR 84 N -1.35 2.69 -0.21 3.99 2.02 -1.26 -3.08 117.35 120.15 2nuj s TYR 84 Ca 0.18 -2.20 0.14 0.00 -0.37 0.00 0.00 57.07 54.83 2nuj s TYR 84 Cb -0.09 -2.10 -0.23 0.00 -0.40 0.00 0.00 41.96 39.14 2nuj s TYR 84 CO 0.09 -0.87 -0.00 1.28 -1.57 0.00 0.00 175.55 174.49 2nuj n LEU 85 N 4.57 0.71 -3.70 -1.29 4.77 0.13 -4.98 117.00 117.21 2nuj n LEU 85 Ca -0.03 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.78 2nuj n LEU 85 Cb 0.43 0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 2nuj n LEU 85 CO 0.17 0.59 0.20 0.00 -1.33 0.00 0.00 177.39 177.02 2nuj s ALA 86 N -2.48 -1.27 1.00 -1.18 0.00 -0.88 -4.98 121.76 111.97 2nuj s ALA 86 Ca -0.16 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2nuj s ALA 86 Cb 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2nuj s ALA 86 CO 0.76 -0.25 0.00 0.39 0.00 0.00 0.00 175.76 176.66 2nuj n GLU 87 N 2.69 -0.29 0.00 0.00 1.02 -1.26 -4.79 120.64 118.01 2nuj n GLU 87 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2nuj n GLU 87 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 2nuj n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nuj n GLY 89 N 3.33 1.20 0.28 0.62 0.00 -1.26 -5.03 105.19 104.33 2nuj n GLY 89 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2nuj n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nuj n GLY 91 N 0.00 0.00 3.75 -0.02 0.00 -1.18 -4.84 105.19 102.90 2nuj n GLY 91 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2nuj n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nuj s GLU 92 N 0.00 4.50 0.29 1.61 2.02 -1.26 -4.62 118.70 121.24 2nuj s GLU 92 Ca 0.00 1.97 -0.17 0.00 0.02 0.00 0.00 54.97 56.78 2nuj s GLU 92 Cb 0.00 -3.17 -0.09 0.00 0.10 0.00 0.00 34.13 30.97 2nuj s GLU 92 CO 0.00 -0.02 0.75 -0.51 0.02 0.00 0.00 175.26 175.50 2nuj s ASP 93 N -0.41 6.91 0.15 -0.19 1.01 -1.26 -0.85 116.67 122.03 2nuj s ASP 93 Ca 0.49 1.37 -0.12 0.00 0.71 0.00 0.00 52.55 55.01 2nuj s ASP 93 Cb -0.35 -2.41 0.01 0.00 1.01 0.00 0.00 42.92 41.18 2nuj s ASP 93 CO 0.43 -0.12 0.33 -0.72 0.21 0.00 0.00 175.17 175.30 2nuj s TYR 94 N -1.81 0.15 -0.11 4.23 -0.85 -0.39 -0.82 117.35 117.74 2nuj s TYR 94 Ca 0.50 -0.52 0.03 0.00 -0.52 0.00 0.00 57.07 56.57 2nuj s TYR 94 Cb -0.13 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.29 2nuj s TYR 94 CO 0.19 -0.71 -0.23 0.08 -1.52 0.00 0.00 175.55 173.35 2nuj s VAL 95 N -3.90 2.05 -0.13 -3.49 1.01 0.11 -1.51 120.40 114.54 2nuj s VAL 95 Ca 0.11 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 2nuj s VAL 95 Cb 0.03 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2nuj s VAL 95 CO -0.05 0.55 0.57 -0.63 0.00 0.00 0.00 175.10 175.55 2nuj s ILE 96 N 0.52 5.11 0.04 2.22 -1.09 0.53 -0.76 121.20 127.76 2nuj s ILE 96 Ca -0.14 1.13 0.05 0.00 -2.23 0.00 0.00 60.65 59.45 2nuj s ILE 96 Cb -0.17 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2nuj s ILE 96 CO 0.05 0.24 -0.09 0.42 -1.23 0.00 0.00 174.94 174.33 2nuj s THR 97 N 1.09 3.48 0.04 2.92 -4.23 -0.46 -0.74 115.64 117.75 2nuj s THR 97 Ca 0.29 -0.96 -0.15 0.00 -1.18 0.00 0.00 61.69 59.69 2nuj s THR 97 Cb -0.16 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.16 2nuj s THR 97 CO 0.12 0.31 0.34 -0.83 -0.54 0.00 0.00 174.62 174.02 2nuj s GLY 98 N -1.65 -0.17 0.11 3.99 0.00 -1.18 -1.01 107.32 107.40 2nuj s GLY 98 Ca 0.18 0.10 -0.18 0.00 0.00 0.00 0.00 44.72 44.82 2nuj s GLY 98 CO 0.09 -0.13 0.44 1.09 0.00 0.00 0.00 173.10 174.60 2nuj s ARG 99 N -2.55 1.06 -0.01 2.90 1.70 -0.31 -4.57 118.95 117.19 2nuj s ARG 99 Ca -0.05 -0.56 -0.26 0.00 -0.47 0.00 0.00 55.73 54.39 2nuj s ARG 99 Cb -0.01 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 2nuj s ARG 99 CO -0.03 -0.41 0.82 0.08 -1.08 0.00 0.00 175.30 174.68 2nuj s VAL 100 N -3.40 4.88 -0.06 4.99 1.01 -1.26 -0.74 120.40 125.82 2nuj s VAL 100 Ca 0.00 1.73 0.15 0.00 0.00 0.00 0.00 61.98 63.86 2nuj s VAL 100 Cb 0.01 -4.17 -0.22 0.00 0.00 0.00 0.00 36.38 32.00 2nuj s VAL 100 CO -0.09 0.25 0.26 -1.54 0.00 0.00 0.00 175.10 173.98 2nuj n SER 101 N 3.51 1.47 -3.44 3.32 3.41 -0.11 -4.72 113.62 117.06 2nuj n SER 101 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.49 2nuj n SER 101 Cb 0.51 1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 65.89 2nuj n SER 101 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2nuj s ASN 102 N -4.06 -0.58 0.03 4.04 4.22 -1.22 -4.90 114.94 112.46 2nuj s ASN 102 Ca -0.06 0.16 -0.17 0.00 -2.14 0.00 0.00 52.86 50.64 2nuj s ASN 102 Cb 0.08 0.58 0.03 0.00 1.28 0.00 0.00 41.25 43.22 2nuj s ASN 102 CO 0.63 -0.88 0.38 0.72 -2.04 0.00 0.00 177.10 175.91 2nuj s PHE 103 N -3.16 -0.24 0.00 1.54 -0.71 -1.26 -0.82 117.98 113.33 2nuj s PHE 103 Ca -0.01 0.23 0.00 0.00 -1.04 0.00 0.00 56.93 56.11 2nuj s PHE 103 Cb -0.01 0.18 0.00 0.00 -1.21 0.00 0.00 43.02 41.98 2nuj s PHE 103 CO -0.08 -0.52 0.00 0.54 -1.34 0.00 0.00 175.22 173.82 2nuj n ARG 104 N 0.70 0.00 -0.13 1.99 1.74 -0.54 -4.22 116.66 116.20 2nuj n ARG 104 Ca -0.19 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.67 2nuj n ARG 104 Cb 0.59 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.91 2nuj n ARG 104 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2nuj n THR 105 N 0.00 1.52 -0.84 0.55 -1.04 -1.26 -4.68 114.28 108.53 2nuj n THR 105 Ca 0.00 -0.51 0.03 0.00 -2.04 0.00 0.00 64.05 61.53 2nuj n THR 105 Cb 0.00 -1.59 0.04 0.00 -1.82 0.00 0.00 70.33 66.96 2nuj n THR 105 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2nuj n THR 106 N -3.60 0.84 -3.64 12.58 -2.24 -1.26 -1.04 114.28 115.92 2nuj n THR 106 Ca -0.48 -0.94 -0.10 0.00 -2.27 0.00 0.00 64.05 60.26 2nuj n THR 106 Cb 0.96 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 2nuj n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2nuj s SER 107 N -1.27 -0.32 0.15 3.42 1.04 -1.26 -0.83 113.70 114.63 2nuj s SER 107 Ca 0.08 -0.33 -0.23 0.00 0.48 0.00 0.00 55.95 55.96 2nuj s SER 107 Cb 0.07 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.82 2nuj s SER 107 CO 0.01 -0.99 0.59 0.72 0.98 0.00 0.00 173.24 174.55 2nuj s PHE 108 N -3.83 -0.52 0.20 5.02 -0.12 -0.41 -1.47 117.98 116.85 2nuj s PHE 108 Ca 0.06 0.33 0.02 0.00 -0.05 0.00 0.00 56.93 57.29 2nuj s PHE 108 Cb -0.00 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 2nuj s PHE 108 CO -0.07 -0.83 0.17 0.25 -0.05 0.00 0.00 175.22 174.69 2nuj n THR 109 N -0.32 0.00 -3.56 -4.49 -2.24 -0.00 -1.19 114.28 102.49 2nuj n THR 109 Ca -0.17 -0.77 -0.16 0.00 -2.27 0.00 0.00 64.05 60.68 2nuj n THR 109 Cb 0.65 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 2nuj n THR 109 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2nuj s GLU 111 N -2.83 1.02 0.05 -0.78 2.02 0.08 -0.93 118.70 117.33 2nuj s GLU 111 Ca 0.13 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.17 2nuj s GLU 111 Cb -0.01 0.47 -0.03 0.00 0.10 0.00 0.00 34.13 34.66 2nuj s GLU 111 CO 0.08 -0.34 -0.04 -0.06 0.02 0.00 0.00 175.26 174.92 2nuj s PHE 112 N -1.65 0.55 0.04 1.61 0.08 0.02 -1.16 117.98 117.48 2nuj s PHE 112 Ca -0.09 -0.83 -0.06 0.00 0.12 0.00 0.00 56.93 56.07 2nuj s PHE 112 Cb -0.01 -0.37 -0.01 0.00 -0.57 0.00 0.00 43.02 42.06 2nuj s PHE 112 CO 0.05 -0.25 0.10 0.00 -0.10 0.00 0.00 175.22 175.03 2nuj s ALA 113 N -2.92 -0.06 -0.18 5.36 0.00 -0.18 -1.37 121.76 122.42 2nuj s ALA 113 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 2nuj s ALA 113 Cb 0.01 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2nuj s ALA 113 CO -0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 175.76 175.29 2nuj s TRP 115 N 0.93 3.26 0.03 0.00 0.52 0.06 -0.87 118.94 122.88 2nuj s TRP 115 Ca -0.01 -1.78 -0.30 0.00 0.02 0.00 0.00 56.10 54.03 2nuj s TRP 115 Cb -0.15 -2.14 -0.05 0.00 -1.15 0.00 0.00 33.47 29.99 2nuj s TRP 115 CO 0.00 -0.79 1.17 0.50 0.02 0.00 0.00 176.95 177.86 2nuj s ARG 116 N 1.28 4.44 0.20 4.98 3.52 0.34 -0.71 118.95 133.00 2nuj s ARG 116 Ca -0.05 1.71 -0.08 0.00 -0.13 0.00 0.00 55.73 57.18 2nuj s ARG 116 Cb -0.20 -3.40 -0.07 0.00 -1.56 0.00 0.00 34.95 29.73 2nuj s ARG 116 CO -0.00 -0.26 0.49 -0.51 -0.81 0.00 0.00 175.30 174.21 2nuj s LEU 117 N 1.24 4.20 0.00 -0.88 1.43 -0.00 -2.34 118.68 122.33 2nuj s LEU 117 Ca 0.57 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 2nuj s LEU 117 Cb -0.28 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2nuj s LEU 117 CO 0.28 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.43 2nuj n GLY 118 N -0.09 -1.16 0.37 -3.19 0.00 -1.26 -4.58 105.19 95.28 2nuj n GLY 118 Ca -0.00 -1.09 0.06 0.00 0.00 0.00 0.00 46.02 44.98 2nuj n GLY 118 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2nuj h ASP 119 N 0.00 0.96 -4.23 1.61 3.32 -2.03 -3.38 116.42 112.67 2nuj h ASP 119 Ca 0.00 0.04 -0.52 0.00 0.02 0.00 0.00 57.03 56.57 2nuj h ASP 119 Cb 0.00 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 39.18 2nuj h ASP 119 CO 0.00 0.54 -0.81 0.00 -1.72 0.00 0.00 179.24 177.25 2nuj s ALA 120 N -5.97 1.66 -0.01 3.45 0.00 -1.26 -5.14 121.76 114.48 2nuj s ALA 120 Ca -0.12 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.48 2nuj s ALA 120 Cb 0.22 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 2nuj s ALA 120 CO 0.81 0.31 0.44 0.08 0.00 0.00 0.00 175.76 177.40 2nuj s VAL 121 N -1.23 5.02 -0.06 0.00 1.01 -1.26 -4.73 120.40 119.14 2nuj s VAL 121 Ca 0.05 0.90 -0.03 0.00 0.00 0.00 0.00 61.98 62.90 2nuj s VAL 121 Cb -0.10 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2nuj s VAL 121 CO 0.04 0.53 0.14 -0.70 0.00 0.00 0.00 175.10 175.11 2nuj s GLU 122 N -0.78 0.11 -0.26 2.72 2.12 -0.99 -4.97 118.70 116.65 2nuj s GLU 122 Ca 0.25 0.32 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 2nuj s GLU 122 Cb -0.17 -0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.11 2nuj s GLU 122 CO 0.13 -0.13 1.19 0.00 -0.54 0.00 0.00 175.26 175.92 2nuj n THR 124 N 5.78 0.17 -3.55 0.00 -2.24 -0.05 -4.55 114.28 109.84 2nuj n THR 124 Ca 0.13 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 2nuj n THR 124 Cb 0.46 0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 2nuj n THR 124 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2nuj s SER 125 N -4.21 -0.49 0.18 3.42 0.15 -1.24 -0.70 113.70 110.81 2nuj s SER 125 Ca 0.00 0.53 0.09 0.00 0.70 0.00 0.00 55.95 57.27 2nuj s SER 125 Cb 0.14 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.80 2nuj s SER 125 CO 0.84 -0.45 -0.19 -1.61 1.20 0.00 0.00 173.24 173.03 2nuj s GLU 126 N -1.16 1.33 0.34 5.44 2.02 -1.18 -1.24 118.70 124.25 2nuj s GLU 126 Ca -0.05 -1.45 -0.08 0.00 0.02 0.00 0.00 54.97 53.40 2nuj s GLU 126 Cb -0.00 -1.40 0.03 0.00 0.10 0.00 0.00 34.13 32.86 2nuj s GLU 126 CO 0.05 0.28 0.59 0.41 0.02 0.00 0.00 175.26 176.61 2nuj n GLY 127 N 0.21 1.56 3.34 -1.39 0.00 -0.47 -0.00 105.19 108.43 2nuj n GLY 127 Ca -0.12 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 2nuj n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nuj s SER 128 N -2.88 -0.22 -0.03 1.61 1.04 -0.50 -0.80 113.70 111.93 2nuj s SER 128 Ca 0.19 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.13 2nuj s SER 128 Cb -0.03 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.59 2nuj s SER 128 CO 0.14 -0.88 0.27 0.00 0.98 0.00 0.00 173.24 173.75 2nuj s ALA 129 N -3.82 -0.67 -0.17 5.32 0.00 -1.26 -2.09 121.76 119.07 2nuj s ALA 129 Ca 0.04 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 2nuj s ALA 129 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2nuj s ALA 129 CO -0.10 -0.23 -0.10 0.08 0.00 0.00 0.00 175.76 175.41 2nuj s VAL 130 N -1.06 3.13 -0.04 0.00 1.01 -0.40 -4.35 120.40 118.69 2nuj s VAL 130 Ca -0.11 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.32 2nuj s VAL 130 Cb -0.05 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2nuj s VAL 130 CO 0.03 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 2nuj s VAL 131 N 0.80 1.69 0.23 2.92 1.01 -0.34 -1.18 120.40 125.54 2nuj s VAL 131 Ca -0.04 -0.88 0.11 0.00 0.00 0.00 0.00 61.98 61.17 2nuj s VAL 131 Cb -0.15 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2nuj s VAL 131 CO 0.01 0.48 -0.15 0.68 0.00 0.00 0.00 175.10 176.12 2nuj s VAL 132 N -0.21 2.77 -0.12 2.92 -7.23 -0.25 -1.29 120.40 117.00 2nuj s VAL 132 Ca 0.01 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 2nuj s VAL 132 Cb -0.11 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 2nuj s VAL 132 CO 0.01 -0.26 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.60 2nuj s LEU 133 N -3.17 2.37 0.09 1.32 1.43 -0.01 -1.13 118.68 119.59 2nuj s LEU 133 Ca 0.27 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 53.00 2nuj s LEU 133 Cb -0.07 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2nuj s LEU 133 CO 0.15 0.15 -0.26 -0.76 0.23 0.00 0.00 176.35 175.86 2nuj s LEU 134 N 0.42 2.26 0.26 1.79 1.43 -0.33 -1.10 118.68 123.41 2nuj s LEU 134 Ca -0.14 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 51.98 2nuj s LEU 134 Cb -0.17 -1.19 -0.11 0.00 0.03 0.00 0.00 46.19 44.75 2nuj s LEU 134 CO 0.06 0.19 1.58 0.20 0.23 0.00 0.00 176.35 178.61 2nuj s ASN 135 N -1.72 6.44 0.48 2.29 0.01 -0.22 -0.43 114.94 121.80 2nuj s ASN 135 Ca 0.12 2.86 0.16 0.00 -0.71 0.00 0.00 52.86 55.30 2nuj s ASN 135 Cb -0.10 -2.63 1.15 0.00 0.41 0.00 0.00 41.25 40.09 2nuj s ASN 135 CO 0.04 -0.88 2.06 -0.09 -1.51 0.00 0.00 177.10 176.73 2nuj h ARG 136 N 5.26 0.00 -0.19 -0.60 2.43 -1.83 -2.25 114.38 117.21 2nuj h ARG 136 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2nuj h ARG 136 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2nuj h ARG 136 CO 0.82 0.11 0.00 -0.40 -1.51 0.00 0.00 179.97 178.99 2nuj n ASP 137 N -4.34 0.50 0.00 -3.80 5.68 -1.26 -4.88 116.55 108.44 2nuj n ASP 137 Ca -0.03 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 2nuj n ASP 137 Cb 0.18 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2nuj n ASP 137 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2nuj n GLY 138 N 0.52 0.87 0.00 6.12 0.00 -0.84 -4.92 105.19 106.95 2nuj n GLY 138 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2nuj n GLY 138 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nuj n SER 139 N -0.01 0.54 0.00 1.61 3.41 -1.26 -5.00 113.62 112.91 2nuj n SER 139 Ca 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2nuj n SER 139 Cb 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2nuj n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nuj n GLY 140 N 1.49 -1.26 3.88 5.00 0.00 -1.26 -5.05 105.19 107.99 2nuj n GLY 140 Ca 0.05 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 2nuj n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nuj s ARG 141 N -1.11 3.78 -0.23 1.61 0.52 -1.26 -1.05 118.95 121.20 2nuj s ARG 141 Ca 0.00 0.23 -0.06 0.00 -0.52 0.00 0.00 55.73 55.38 2nuj s ARG 141 Cb 0.00 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 2nuj s ARG 141 CO 0.00 0.34 0.02 -0.47 0.02 0.00 0.00 175.30 175.21 2nuj s TYR 142 N -1.80 3.04 0.28 -0.53 6.14 -0.25 -4.61 117.35 119.62 2nuj s TYR 142 Ca 0.47 -0.56 -0.29 0.00 0.64 0.00 0.00 57.07 57.32 2nuj s TYR 142 Cb -0.11 -2.16 -0.10 0.00 0.42 0.00 0.00 41.96 40.00 2nuj s TYR 142 CO 0.22 -0.38 1.31 -1.25 0.64 0.00 0.00 175.55 176.09 2nuj s PRO 143 N 1.42 4.38 0.05 4.97 0.04 -1.26 -4.51 135.00 140.08 2nuj s PRO 143 Ca 0.05 2.14 -0.34 0.00 0.04 0.00 0.00 61.00 62.90 2nuj s PRO 143 Cb -0.15 -3.12 -0.13 0.00 0.04 0.00 0.00 34.50 31.14 2nuj s PRO 143 CO 0.01 -0.20 1.73 -0.89 0.04 0.00 0.00 177.00 177.69 2nuj n ILE 144 N 1.60 0.28 -1.57 0.56 5.41 -0.21 -4.88 119.36 120.55 2nuj n ILE 144 Ca 0.03 -0.05 -0.40 0.00 1.00 0.00 0.00 62.75 63.33 2nuj n ILE 144 Cb 0.42 -1.72 0.02 0.00 -0.71 0.00 0.00 39.64 37.65 2nuj n ILE 144 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2nuj n PRO 145 N 4.99 1.01 -0.30 0.38 -0.02 -1.26 -4.74 135.00 135.06 2nuj n PRO 145 Ca 0.20 0.37 0.07 0.00 -2.02 0.00 0.00 63.50 62.11 2nuj n PRO 145 Cb 0.30 -1.95 0.22 0.00 -0.02 0.00 0.00 33.50 32.05 2nuj n PRO 145 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2nuj h GLU 146 N 0.99 0.64 -0.24 -0.52 4.39 -1.92 -0.24 114.58 117.68 2nuj h GLU 146 Ca -0.45 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2nuj h GLU 146 Cb 1.36 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2nuj h GLU 146 CO 0.53 0.42 0.04 0.00 -1.16 0.00 0.00 179.01 178.84 2nuj h ALA 147 N 1.54 1.63 0.12 3.43 0.00 -1.90 -1.60 119.26 122.48 2nuj h ALA 147 Ca 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2nuj h ALA 147 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2nuj h ALA 147 CO -0.34 0.28 -0.06 0.78 0.00 0.00 0.00 179.25 179.91 2nuj h GLY 148 N 0.58 -0.17 0.59 0.00 0.00 -1.12 -0.04 103.07 102.90 2nuj h GLY 148 Ca 0.08 0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.55 2nuj h GLY 148 CO -0.00 -0.06 0.42 3.21 0.00 0.00 0.00 176.54 180.10 2nuj h ARG 149 N -0.37 0.71 -0.21 4.80 3.08 -1.11 0.11 114.38 121.38 2nuj h ARG 149 Ca -0.02 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2nuj h ARG 149 Cb 0.30 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2nuj h ARG 149 CO 0.03 0.47 -0.05 0.00 -1.07 0.00 0.00 179.97 179.35 2nuj h ALA 150 N 1.41 0.29 -0.72 0.04 0.00 -1.25 -2.22 119.26 116.81 2nuj h ALA 150 Ca 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2nuj h ALA 150 Cb 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2nuj h ALA 150 CO -0.22 0.07 0.45 0.77 0.00 0.00 0.00 179.25 180.32 2nuj h SER 151 N 0.14 0.85 -0.82 0.00 0.02 -0.51 -0.62 113.55 112.60 2nuj h SER 151 Ca 0.05 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2nuj h SER 151 Cb 0.49 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2nuj h SER 151 CO 0.02 0.64 0.42 -0.26 -1.14 0.00 0.00 176.83 176.50 2nuj h PHE 152 N 0.98 1.17 -0.17 3.45 0.04 -0.62 0.88 116.94 122.68 2nuj h PHE 152 Ca 0.26 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 2nuj h PHE 152 Cb -0.07 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 37.71 2nuj h PHE 152 CO 0.00 0.83 -0.23 0.28 -0.60 0.00 0.00 178.31 178.59 2nuj h VAL 153 N 1.17 1.35 0.12 -0.55 2.07 -0.85 -2.67 116.25 116.89 2nuj h VAL 153 Ca 0.29 -1.44 -0.34 0.00 0.82 0.00 0.00 66.70 66.03 2nuj h VAL 153 Cb 0.08 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2nuj h VAL 153 CO -0.04 0.43 -1.81 0.71 0.02 0.00 0.00 177.57 176.88 2nuj h THR 154 N 0.08 0.83 0.09 2.57 1.35 -1.00 -2.57 112.91 114.26 2nuj h THR 154 Ca 0.02 -2.53 -0.35 0.00 -0.55 0.00 0.00 66.41 63.00 2nuj h THR 154 Cb 0.80 2.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.78 2nuj h THR 154 CO 0.05 0.81 -1.97 -0.62 -0.25 0.00 0.00 175.52 173.54 2nuj n GLU 155 N -3.43 0.72 0.00 4.72 -0.58 0.29 -4.22 120.64 118.15 2nuj n GLU 155 Ca -0.25 0.26 0.11 0.00 -0.42 0.00 0.00 57.16 56.86 2nuj n GLU 155 Cb 1.05 -1.71 0.09 0.00 -0.57 0.00 0.00 31.44 30.30 2nuj n GLU 155 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2nuj n ASP 156 N -3.36 1.65 -1.15 1.62 8.00 -1.03 -4.90 116.55 117.38 2nuj n ASP 156 Ca -0.29 -1.28 -0.11 0.00 0.71 0.00 0.00 54.79 53.82 2nuj n ASP 156 Cb 1.05 0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 42.56 2nuj n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nuj n GLY 157 N 1.41 0.16 3.74 0.44 0.00 -0.97 -4.88 105.19 105.09 2nuj n GLY 157 Ca 0.09 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2nuj n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nuj s VAL 158 N -2.51 4.32 -0.00 1.61 1.01 -1.03 -4.99 120.40 118.80 2nuj s VAL 158 Ca 0.00 2.05 -0.23 0.00 0.00 0.00 0.00 61.98 63.79 2nuj s VAL 158 Cb 0.00 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.93 2nuj s VAL 158 CO 0.00 0.37 1.05 0.17 0.00 0.00 0.00 175.10 176.69 2nuj h LEU 159 N 5.08 -0.51 0.00 3.92 -0.00 -1.91 -3.39 115.31 118.50 2nuj h LEU 159 Ca -0.44 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 2nuj h LEU 159 Cb 1.21 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 2nuj h LEU 159 CO 0.71 -0.11 0.00 0.00 -0.00 0.00 0.00 178.44 179.03 2nuj n ALA 160 N -2.61 0.00 1.09 0.17 0.00 -1.26 -5.00 120.51 112.89 2nuj n ALA 160 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.47 2nuj n ALA 160 Cb 0.29 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.92 2nuj n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50