#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1au1 n SER 2 N 0.00 0.00 0.18 6.12 3.41 -1.26 -4.89 113.62 117.18 1au1 n SER 2 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 1au1 n SER 2 Cb 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 1au1 n SER 2 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1au1 h TYR 3 N 0.00 0.00 0.04 7.33 0.05 -1.92 0.21 116.97 122.69 1au1 h TYR 3 Ca 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 1au1 h TYR 3 Cb 0.00 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.76 1au1 h TYR 3 CO 0.00 0.34 -0.87 -0.91 -1.05 0.00 0.00 178.16 175.67 1au1 h ASN 4 N 0.00 0.69 -0.13 3.88 2.35 -1.79 -1.42 115.58 119.15 1au1 h ASN 4 Ca -0.00 -0.79 -0.14 0.00 -0.55 0.00 0.00 56.30 54.81 1au1 h ASN 4 Cb 1.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1au1 h ASN 4 CO 0.04 1.40 -0.42 0.25 -1.65 0.00 0.00 177.43 177.06 1au1 h LEU 5 N 0.05 0.72 0.17 1.61 5.85 -1.90 -1.70 115.31 120.11 1au1 h LEU 5 Ca -0.12 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1au1 h LEU 5 Cb 1.57 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 1au1 h LEU 5 CO 0.17 1.04 -0.09 0.25 -0.34 0.00 0.00 178.44 179.47 1au1 h LEU 6 N 0.55 -0.23 -1.68 2.25 5.85 -0.60 0.11 115.31 121.56 1au1 h LEU 6 Ca 0.04 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1au1 h LEU 6 Cb 0.95 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1au1 h LEU 6 CO 0.09 -0.16 0.15 1.23 -0.34 0.00 0.00 178.44 179.41 1au1 h GLY 7 N -0.25 0.38 0.72 3.75 0.00 -1.20 0.49 103.07 106.95 1au1 h GLY 7 Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1au1 h GLY 7 CO 0.03 0.15 -0.14 -2.75 0.00 0.00 0.00 176.54 173.83 1au1 h PHE 8 N 0.37 -0.36 -0.34 5.60 3.04 -0.62 -0.14 116.94 124.50 1au1 h PHE 8 Ca 0.10 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.07 1au1 h PHE 8 Cb 0.01 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 1au1 h PHE 8 CO 0.00 -0.05 0.23 -0.07 -2.02 0.00 0.00 178.31 176.39 1au1 h LEU 9 N -0.68 0.29 -0.36 0.59 3.38 -0.21 -1.71 115.31 116.60 1au1 h LEU 9 Ca -0.04 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1au1 h LEU 9 Cb 0.47 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1au1 h LEU 9 CO 0.07 0.20 -0.52 -0.61 0.09 0.00 0.00 178.44 177.66 1au1 h GLN 10 N 0.33 0.82 -0.60 1.13 5.75 0.32 -1.82 115.11 121.05 1au1 h GLN 10 Ca 0.14 -0.50 -0.06 0.00 -0.15 0.00 0.00 58.65 58.08 1au1 h GLN 10 Cb 0.14 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1au1 h GLN 10 CO -0.03 1.14 0.14 0.00 -2.65 0.00 0.00 178.83 177.42 1au1 h ARG 11 N 0.63 0.93 -0.43 1.69 3.08 -0.14 -0.39 114.38 119.76 1au1 h ARG 11 Ca 0.02 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1au1 h ARG 11 Cb 1.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 1au1 h ARG 11 CO 0.11 0.84 0.27 1.03 -1.07 0.00 0.00 179.97 181.15 1au1 h SER 12 N 0.89 0.50 -0.25 7.04 0.87 -1.25 -0.94 113.55 120.41 1au1 h SER 12 Ca 0.19 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 1au1 h SER 12 Cb 0.33 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1au1 h SER 12 CO 0.00 0.37 -0.14 -1.28 -0.53 0.00 0.00 176.83 175.26 1au1 h SER 13 N 0.57 0.55 -0.84 6.23 0.87 -1.16 -2.52 113.55 117.26 1au1 h SER 13 Ca 0.15 -0.42 0.07 0.00 -1.23 0.00 0.00 61.79 60.36 1au1 h SER 13 Cb -0.05 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.70 1au1 h SER 13 CO -0.03 0.85 0.51 0.78 -0.53 0.00 0.00 176.83 178.41 1au1 h ASN 14 N 0.25 0.79 0.16 6.23 2.35 -0.87 -0.77 115.58 123.72 1au1 h ASN 14 Ca 0.05 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1au1 h ASN 14 Cb 0.65 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1au1 h ASN 14 CO 0.04 0.50 -0.08 0.15 -1.65 0.00 0.00 177.43 176.39 1au1 h PHE 15 N 0.92 -0.20 -0.30 1.19 3.57 -1.12 -1.78 116.94 119.22 1au1 h PHE 15 Ca 0.37 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1au1 h PHE 15 Cb 0.19 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1au1 h PHE 15 CO -0.04 0.09 0.17 1.96 -2.23 0.00 0.00 178.31 178.26 1au1 h GLN 16 N -0.49 0.34 -0.70 1.11 1.08 -1.29 -0.57 115.11 114.58 1au1 h GLN 16 Ca -0.02 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1au1 h GLN 16 Cb 0.38 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1au1 h GLN 16 CO 0.04 0.22 0.37 0.00 -0.95 0.00 0.00 178.83 178.51 1au1 h GLN 18 N 0.97 0.73 -0.51 0.00 4.20 -1.16 -0.15 115.11 119.20 1au1 h GLN 18 Ca 0.25 -0.40 0.05 0.00 0.06 0.00 0.00 58.65 58.61 1au1 h GLN 18 Cb 0.06 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 1au1 h GLN 18 CO -0.04 1.02 0.24 -0.22 -0.67 0.00 0.00 178.83 179.16 1au1 h LYS 19 N 0.48 0.45 0.01 1.46 3.64 -0.61 0.37 116.57 122.38 1au1 h LYS 19 Ca 0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1au1 h LYS 19 Cb 0.90 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1au1 h LYS 19 CO 0.08 0.30 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.48 1au1 h LEU 20 N 0.47 -0.01 -0.77 5.20 3.38 -0.88 -2.05 115.31 120.64 1au1 h LEU 20 Ca 0.23 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1au1 h LEU 20 Cb 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1au1 h LEU 20 CO -0.18 0.17 0.44 -0.07 0.09 0.00 0.00 178.44 178.89 1au1 h LEU 21 N -0.20 0.64 -1.38 1.67 3.38 -0.38 -0.55 115.31 118.48 1au1 h LEU 21 Ca -0.00 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1au1 h LEU 21 Cb 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1au1 h LEU 21 CO 0.00 0.39 -0.30 -0.50 0.09 0.00 0.00 178.44 178.12 1au1 h TRP 22 N 0.77 0.02 -0.32 1.13 4.06 -0.82 -3.16 115.95 117.62 1au1 h TRP 22 Ca 0.36 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.28 1au1 h TRP 22 Cb 0.28 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 1au1 h TRP 22 CO -0.07 0.32 0.09 1.96 -3.56 0.00 0.00 178.44 177.18 1au1 h GLN 23 N 0.02 0.51 -6.19 0.49 4.20 -0.36 -3.45 115.11 110.33 1au1 h GLN 23 Ca 0.00 -0.11 -0.72 0.00 0.06 0.00 0.00 58.65 57.88 1au1 h GLN 23 Cb 0.54 -0.07 0.03 0.00 0.30 0.00 0.00 27.48 28.28 1au1 h GLN 23 CO 0.04 0.56 0.64 1.28 -0.67 0.00 0.00 178.83 180.68 1au1 n LEU 24 N -4.66 1.87 -3.88 1.46 4.77 -1.05 -4.99 117.00 110.52 1au1 n LEU 24 Ca -0.02 1.10 -0.11 0.00 -0.03 0.00 0.00 56.01 56.96 1au1 n LEU 24 Cb 0.18 -1.14 -0.11 0.00 -2.33 0.00 0.00 43.42 40.02 1au1 n LEU 24 CO 0.37 -0.81 -0.22 0.54 -1.33 0.00 0.00 177.39 175.94 1au1 s ASN 25 N 1.93 0.02 0.00 -1.43 2.20 -1.26 -5.07 114.94 111.33 1au1 s ASN 25 Ca 0.92 -0.14 0.00 0.00 -0.94 0.00 0.00 52.86 52.70 1au1 s ASN 25 Cb -1.05 0.20 0.00 0.00 -2.00 0.00 0.00 41.25 38.41 1au1 s ASN 25 CO 0.57 -0.28 0.00 0.61 -2.94 0.00 0.00 177.10 175.07 1au1 n GLY 26 N 1.87 3.96 0.11 0.45 0.00 -1.26 -4.48 105.19 105.84 1au1 n GLY 26 Ca -0.20 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.59 1au1 n GLY 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1au1 h ARG 27 N 0.00 -0.16 -1.26 1.61 2.43 -1.85 -3.50 114.38 111.65 1au1 h ARG 27 Ca 0.00 0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.41 1au1 h ARG 27 Cb 0.00 0.04 -0.24 0.00 -0.42 0.00 0.00 29.97 29.35 1au1 h ARG 27 CO 0.00 0.30 0.85 0.00 -1.51 0.00 0.00 179.97 179.61 1au1 h LEU 32 N 2.12 0.58 0.00 0.00 -0.00 -2.03 -3.43 115.31 112.54 1au1 h LEU 32 Ca -0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1au1 h LEU 32 Cb 1.17 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1au1 h LEU 32 CO 0.23 0.41 0.00 1.17 -0.00 0.00 0.00 178.44 180.25 1au1 n LYS 33 N -4.46 0.00 -0.05 0.17 4.81 -1.26 -5.05 118.16 112.31 1au1 n LYS 33 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1au1 n LYS 33 Cb 0.09 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.14 1au1 n LYS 33 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1au1 n ASP 34 N -2.43 0.00 -3.70 3.14 8.00 -1.26 -5.01 116.55 115.29 1au1 n ASP 34 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1au1 n ASP 34 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1au1 n ASP 34 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1au1 s ARG 35 N -0.53 0.43 -0.09 -1.24 0.52 -1.26 -4.81 118.95 111.97 1au1 s ARG 35 Ca 0.00 0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 55.86 1au1 s ARG 35 Cb 0.00 0.05 0.03 0.00 0.52 0.00 0.00 34.95 35.55 1au1 s ARG 35 CO 0.00 -0.13 0.30 1.41 0.02 0.00 0.00 175.30 176.90 1au1 s MET 36 N 1.11 0.41 -0.22 3.54 1.75 -1.26 -5.15 119.30 119.49 1au1 s MET 36 Ca -0.07 0.29 -0.16 0.00 -1.25 0.00 0.00 55.69 54.50 1au1 s MET 36 Cb -0.07 0.19 -0.04 0.00 2.84 0.00 0.00 34.83 37.76 1au1 s MET 36 CO -0.10 -0.07 0.40 1.21 -0.65 0.00 0.00 175.02 175.82 1au1 s ASN 37 N -0.15 6.40 -0.02 1.11 3.84 -1.26 -4.94 114.94 119.92 1au1 s ASN 37 Ca -0.03 0.47 0.11 0.00 0.21 0.00 0.00 52.86 53.62 1au1 s ASN 37 Cb -0.03 -2.23 0.31 0.00 -0.55 0.00 0.00 41.25 38.75 1au1 s ASN 37 CO 0.01 -0.11 1.26 0.49 -2.79 0.00 0.00 177.10 175.96 1au1 n PHE 38 N 4.73 0.49 -3.09 0.43 3.72 -1.26 -5.01 117.46 117.47 1au1 n PHE 38 Ca -0.08 -0.55 -0.02 0.00 -0.05 0.00 0.00 57.45 56.75 1au1 n PHE 38 Cb 0.51 -0.06 0.01 0.00 -0.94 0.00 0.00 39.48 39.00 1au1 n PHE 38 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1au1 n ASP 39 N 0.33 -7.64 -4.69 4.37 8.00 -1.26 -4.83 116.55 110.83 1au1 n ASP 39 Ca 0.12 -0.16 -0.51 0.00 0.71 0.00 0.00 54.79 54.94 1au1 n ASP 39 Cb 0.47 -5.30 -0.06 0.00 -0.02 0.00 0.00 41.12 36.22 1au1 n ASP 39 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1au1 n ILE 40 N -1.98 0.50 -1.55 0.53 5.41 -1.26 -4.82 119.36 116.17 1au1 n ILE 40 Ca -0.01 -0.09 -0.48 0.00 1.00 0.00 0.00 62.75 63.16 1au1 n ILE 40 Cb 0.52 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.74 1au1 n ILE 40 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1au1 n PRO 41 N 6.30 0.99 -0.34 0.38 -0.02 -1.26 -4.80 135.00 136.25 1au1 n PRO 41 Ca 0.24 0.35 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 1au1 n PRO 41 Cb 0.24 -1.76 0.29 0.00 -0.02 0.00 0.00 33.50 32.25 1au1 n PRO 41 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1au1 h GLU 42 N 2.74 0.74 -0.95 -0.52 4.81 -1.97 -0.73 114.58 118.71 1au1 h GLU 42 Ca -0.41 -0.04 0.30 0.00 -0.13 0.00 0.00 59.36 59.07 1au1 h GLU 42 Cb 1.36 -0.17 -0.16 0.00 0.63 0.00 0.00 28.75 30.42 1au1 h GLU 42 CO 0.66 0.49 0.36 0.93 -0.73 0.00 0.00 179.01 180.72 1au1 h GLU 43 N 0.76 0.18 0.16 1.92 4.39 -1.94 1.05 114.58 121.09 1au1 h GLU 43 Ca 0.54 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.99 1au1 h GLU 43 Cb 0.79 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1au1 h GLU 43 CO -0.36 0.12 -1.13 0.82 -1.16 0.00 0.00 179.01 177.30 1au1 h ILE 44 N 0.18 1.32 -0.27 3.13 2.04 -1.48 -3.30 117.51 119.13 1au1 h ILE 44 Ca 0.66 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1au1 h ILE 44 Cb 1.49 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 40.60 1au1 h ILE 44 CO -0.70 0.74 0.00 2.29 0.00 0.00 0.00 178.15 180.48 1au1 n LYS 45 N -3.98 1.82 -2.10 2.37 2.85 -0.78 -4.89 118.16 113.46 1au1 n LYS 45 Ca -0.18 -1.26 -0.43 0.00 -1.05 0.00 0.00 58.31 55.40 1au1 n LYS 45 Cb 0.90 -1.35 -0.03 0.00 -0.65 0.00 0.00 35.03 33.91 1au1 n LYS 45 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1au1 s GLN 46 N -1.64 4.04 -0.54 -1.58 -0.21 0.36 -4.97 119.66 115.11 1au1 s GLN 46 Ca 0.29 1.93 -0.19 0.00 0.02 0.00 0.00 55.36 57.41 1au1 s GLN 46 Cb 0.16 -3.98 0.07 0.00 1.00 0.00 0.00 33.01 30.26 1au1 s GLN 46 CO 0.22 -1.00 0.67 -0.51 -2.12 0.00 0.00 175.29 172.55 1au1 s LEU 47 N 4.42 5.07 0.20 2.90 1.43 -1.26 -4.97 118.68 126.47 1au1 s LEU 47 Ca 0.70 -1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 1au1 s LEU 47 Cb -0.29 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.54 1au1 s LEU 47 CO 0.27 -0.99 0.47 0.00 0.23 0.00 0.00 176.35 176.34 1au1 s GLN 48 N 2.72 1.38 -0.50 1.70 -2.07 -1.26 -5.12 119.66 116.52 1au1 s GLN 48 Ca 0.14 -1.01 -0.22 0.00 -1.82 0.00 0.00 55.36 52.46 1au1 s GLN 48 Cb -0.21 0.48 0.04 0.00 -1.09 0.00 0.00 33.01 32.24 1au1 s GLN 48 CO 0.10 -0.57 0.77 -1.14 -1.32 0.00 0.00 175.29 173.13 1au1 s GLN 49 N -3.92 3.28 0.01 9.60 0.74 -1.26 -5.01 119.66 123.10 1au1 s GLN 49 Ca 0.13 -0.41 -0.30 0.00 0.05 0.00 0.00 55.36 54.83 1au1 s GLN 49 Cb -0.00 -4.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.05 1au1 s GLN 49 CO 0.00 -1.26 1.03 -0.06 -0.55 0.00 0.00 175.29 174.46 1au1 s PHE 50 N 3.27 3.61 0.60 1.67 0.08 -1.26 -5.02 117.98 120.92 1au1 s PHE 50 Ca 0.25 1.61 -0.17 0.00 0.12 0.00 0.00 56.93 58.73 1au1 s PHE 50 Cb -0.14 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.09 1au1 s PHE 50 CO 0.18 -0.30 1.13 -0.65 -0.10 0.00 0.00 175.22 175.48 1au1 s GLN 51 N 1.04 3.06 0.55 0.44 -0.21 -1.26 -4.71 119.66 118.58 1au1 s GLN 51 Ca 0.53 1.53 0.34 0.00 0.02 0.00 0.00 55.36 57.78 1au1 s GLN 51 Cb -0.23 -1.97 1.49 0.00 1.00 0.00 0.00 33.01 33.30 1au1 s GLN 51 CO 0.28 -1.07 1.81 1.57 -2.12 0.00 0.00 175.29 175.77 1au1 h LYS 52 N 0.64 0.00 0.02 2.91 2.10 -1.91 0.47 116.57 120.79 1au1 h LYS 52 Ca -0.49 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 57.95 1au1 h LYS 52 Cb 1.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1au1 h LYS 52 CO 0.55 0.00 -0.94 0.93 -2.00 0.00 0.00 179.45 177.99 1au1 h GLU 53 N 0.00 0.24 0.03 0.07 3.07 -1.89 -3.01 114.58 113.08 1au1 h GLU 53 Ca 0.47 -0.28 -0.23 0.00 -0.50 0.00 0.00 59.36 58.82 1au1 h GLU 53 Cb 1.99 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.96 1au1 h GLU 53 CO -0.00 1.02 -1.07 -0.44 -1.40 0.00 0.00 179.01 177.12 1au1 h ASP 54 N 0.12 0.11 -0.63 1.42 3.32 -1.30 -2.50 116.42 116.96 1au1 h ASP 54 Ca -0.06 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1au1 h ASP 54 Cb 1.60 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 41.08 1au1 h ASP 54 CO 0.15 1.09 0.38 0.00 -1.72 0.00 0.00 179.24 179.14 1au1 h ALA 55 N 0.89 0.81 0.00 3.45 0.00 -1.30 -0.62 119.26 122.49 1au1 h ALA 55 Ca -0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1au1 h ALA 55 Cb 1.82 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1au1 h ALA 55 CO 0.15 0.28 -0.62 0.00 0.00 0.00 0.00 179.25 179.06 1au1 h ALA 56 N 1.20 0.96 0.21 0.00 0.00 -1.57 -1.04 119.26 119.02 1au1 h ALA 56 Ca 0.23 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1au1 h ALA 56 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1au1 h ALA 56 CO -0.04 0.78 -0.10 1.25 0.00 0.00 0.00 179.25 181.13 1au1 h LEU 57 N 0.00 -0.24 -0.23 0.00 5.85 -0.95 0.14 115.31 119.87 1au1 h LEU 57 Ca -0.01 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1au1 h LEU 57 Cb 1.11 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1au1 h LEU 57 CO 0.08 0.13 -0.00 0.74 -0.34 0.00 0.00 178.44 179.05 1au1 h THR 58 N -0.65 0.83 -0.78 1.05 2.02 -1.10 0.30 112.91 114.59 1au1 h THR 58 Ca -0.03 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1au1 h THR 58 Cb 0.46 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 1au1 h THR 58 CO 0.05 0.01 0.46 0.40 0.37 0.00 0.00 175.52 176.81 1au1 h ILE 59 N 0.07 1.00 -0.20 3.11 2.04 -1.15 0.70 117.51 123.08 1au1 h ILE 59 Ca 0.11 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1au1 h ILE 59 Cb 0.14 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1au1 h ILE 59 CO -0.19 0.15 0.12 0.22 0.00 0.00 0.00 178.15 178.45 1au1 h TYR 60 N 0.84 0.27 -0.50 1.37 3.20 0.28 -1.16 116.97 121.26 1au1 h TYR 60 Ca 0.35 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 1au1 h TYR 60 Cb 0.20 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1au1 h TYR 60 CO -0.05 0.22 0.14 0.93 -1.64 0.00 0.00 178.16 177.76 1au1 h GLU 61 N 0.23 0.79 -0.17 1.82 5.08 -0.37 -1.62 114.58 120.34 1au1 h GLU 61 Ca 0.07 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1au1 h GLU 61 Cb 0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1au1 h GLU 61 CO -0.01 0.75 0.06 0.52 -1.00 0.00 0.00 179.01 179.33 1au1 h MET 62 N 0.69 0.14 -0.60 2.33 2.86 -0.68 -2.87 114.93 116.80 1au1 h MET 62 Ca 0.16 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1au1 h MET 62 Cb 0.31 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1au1 h MET 62 CO -0.00 0.09 0.01 -0.07 1.06 0.00 0.00 176.91 178.00 1au1 h LEU 63 N 0.15 1.03 -0.67 1.22 3.38 -1.07 -0.81 115.31 118.54 1au1 h LEU 63 Ca 0.07 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.83 1au1 h LEU 63 Cb 0.04 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.45 1au1 h LEU 63 CO -0.07 1.08 0.32 1.56 0.09 0.00 0.00 178.44 181.42 1au1 h GLN 64 N 0.96 0.54 -0.30 1.13 4.20 -1.23 -0.60 115.11 119.80 1au1 h GLN 64 Ca 0.17 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 1au1 h GLN 64 Cb 0.55 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1au1 h GLN 64 CO 0.03 0.36 -0.24 -0.91 -0.67 0.00 0.00 178.83 177.39 1au1 h ASN 65 N 0.55 0.74 -0.71 1.46 2.35 -1.32 -2.70 115.58 115.96 1au1 h ASN 65 Ca 0.33 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1au1 h ASN 65 Cb 0.34 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 1au1 h ASN 65 CO -0.26 1.03 0.45 0.40 -1.65 0.00 0.00 177.43 177.40 1au1 h ILE 66 N 0.45 1.19 0.71 2.81 2.04 -0.80 -1.86 117.51 122.06 1au1 h ILE 66 Ca 0.06 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1au1 h ILE 66 Cb 0.80 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1au1 h ILE 66 CO 0.06 0.20 -0.34 0.15 0.00 0.00 0.00 178.15 178.22 1au1 h PHE 67 N 0.98 -0.89 -0.95 1.37 3.57 -1.04 -1.40 116.94 118.58 1au1 h PHE 67 Ca 0.26 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.95 1au1 h PHE 67 Cb -0.07 0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.89 1au1 h PHE 67 CO 0.00 -0.55 0.62 0.00 -2.23 0.00 0.00 178.31 176.15 1au1 h ALA 68 N -0.67 2.12 0.26 2.41 0.00 -1.19 -0.99 119.26 121.20 1au1 h ALA 68 Ca -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1au1 h ALA 68 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1au1 h ALA 68 CO 0.16 -0.44 -0.12 0.82 0.00 0.00 0.00 179.25 179.67 1au1 h ILE 69 N 0.47 0.75 0.00 0.00 2.04 -0.99 -3.04 117.51 116.75 1au1 h ILE 69 Ca 0.51 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1au1 h ILE 69 Cb 1.18 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1au1 h ILE 69 CO -0.23 0.14 0.00 0.49 0.00 0.00 0.00 178.15 178.55 1au1 n PHE 70 N -5.07 0.00 0.14 1.37 3.01 -0.56 -1.73 117.46 114.63 1au1 n PHE 70 Ca -0.09 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.39 1au1 n PHE 70 Cb 0.26 -0.32 0.12 0.00 -0.01 0.00 0.00 39.48 39.52 1au1 n PHE 70 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1au1 h ARG 71 N 0.00 0.00 -7.26 -1.08 2.43 -1.09 -3.46 114.38 103.92 1au1 h ARG 71 Ca 0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 1au1 h ARG 71 Cb 0.16 0.00 0.18 0.00 -0.42 0.00 0.00 29.97 29.89 1au1 h ARG 71 CO 0.00 0.55 0.18 -0.65 -1.51 0.00 0.00 179.97 178.54 1au1 s GLN 72 N -3.17 0.62 -0.09 0.20 -1.52 -0.70 -4.91 119.66 110.08 1au1 s GLN 72 Ca 0.02 1.08 -0.29 0.00 -1.95 0.00 0.00 55.36 54.22 1au1 s GLN 72 Cb 0.09 -1.72 -0.05 0.00 -0.22 0.00 0.00 33.01 31.12 1au1 s GLN 72 CO 0.74 -2.75 1.65 0.34 -0.25 0.00 0.00 175.29 175.01 1au1 s ASP 73 N -2.92 6.60 -0.07 5.90 -1.08 -1.26 -4.88 116.67 118.95 1au1 s ASP 73 Ca 0.66 2.11 0.11 0.00 -0.52 0.00 0.00 52.55 54.90 1au1 s ASP 73 Cb -0.21 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 38.89 1au1 s ASP 73 CO 0.59 -1.00 1.09 -1.54 0.52 0.00 0.00 175.17 174.84 1au1 n SER 74 N 7.44 2.24 0.18 -0.34 3.41 -1.26 -4.78 113.62 120.51 1au1 n SER 74 Ca 0.18 -2.61 0.12 0.00 -0.26 0.00 0.00 58.87 56.29 1au1 n SER 74 Cb 0.43 -0.25 0.63 0.00 -0.26 0.00 0.00 64.21 64.77 1au1 n SER 74 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1au1 h SER 75 N 0.07 0.00 0.67 4.04 4.64 -1.90 -1.49 113.55 119.57 1au1 h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1au1 h SER 75 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1au1 h SER 75 CO 0.00 0.00 -0.31 -1.20 -0.87 0.00 0.00 176.83 174.46 1au1 n SER 76 N -2.32 0.33 0.06 4.97 7.64 -1.26 -3.97 113.62 119.08 1au1 n SER 76 Ca -0.02 -0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.80 1au1 n SER 76 Cb 0.04 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.10 1au1 n SER 76 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1au1 h THR 77 N 0.03 1.63 0.00 0.44 1.35 -1.59 -3.38 112.91 111.39 1au1 h THR 77 Ca 0.00 -3.32 0.00 0.00 -0.55 0.00 0.00 66.41 62.54 1au1 h THR 77 Cb 0.50 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1au1 h THR 77 CO 0.00 0.93 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 1au1 n GLY 78 N 1.34 1.04 3.73 5.82 0.00 -1.25 -3.56 105.19 112.31 1au1 n GLY 78 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1au1 n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1au1 s TRP 79 N -3.23 2.08 -0.29 1.61 0.51 -1.26 -4.73 118.94 113.63 1au1 s TRP 79 Ca 0.00 1.49 -0.28 0.00 -2.12 0.00 0.00 56.10 55.18 1au1 s TRP 79 Cb 0.00 -3.69 -0.03 0.00 -0.81 0.00 0.00 33.47 28.94 1au1 s TRP 79 CO 0.00 -2.91 1.92 1.21 -0.51 0.00 0.00 176.95 176.66 1au1 s ASN 80 N -1.41 5.78 0.53 2.95 3.84 -1.26 -4.85 114.94 120.52 1au1 s ASN 80 Ca 0.82 1.49 0.20 0.00 0.21 0.00 0.00 52.86 55.58 1au1 s ASN 80 Cb -0.37 -2.52 1.36 0.00 -0.55 0.00 0.00 41.25 39.17 1au1 s ASN 80 CO 0.40 -1.76 2.12 -0.33 -2.79 0.00 0.00 177.10 174.73 1au1 h GLU 81 N 13.43 0.00 -0.55 0.43 5.08 -1.99 -2.39 114.58 128.60 1au1 h GLU 81 Ca -0.36 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1au1 h GLU 81 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1au1 h GLU 81 CO 1.01 0.00 0.36 1.15 -1.00 0.00 0.00 179.01 180.53 1au1 h THR 82 N 0.00 1.14 -0.39 1.13 2.02 -1.99 0.21 112.91 115.03 1au1 h THR 82 Ca 0.06 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1au1 h THR 82 Cb 0.25 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1au1 h THR 82 CO -0.00 0.14 0.21 0.40 0.37 0.00 0.00 175.52 176.64 1au1 h ILE 83 N 0.74 1.15 -0.86 3.11 2.04 -1.83 -0.73 117.51 121.13 1au1 h ILE 83 Ca 0.20 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1au1 h ILE 83 Cb -0.08 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1au1 h ILE 83 CO -0.04 0.15 0.46 0.58 0.00 0.00 0.00 178.15 179.30 1au1 h VAL 84 N 0.50 1.25 -0.94 1.67 2.07 -1.29 -0.15 116.25 119.36 1au1 h VAL 84 Ca 0.14 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1au1 h VAL 84 Cb 0.05 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 29.88 1au1 h VAL 84 CO -0.02 0.29 0.58 -0.33 0.02 0.00 0.00 177.57 178.11 1au1 h GLU 85 N 1.21 1.27 -0.31 1.57 4.39 0.09 -1.70 114.58 121.10 1au1 h GLU 85 Ca 0.30 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.80 1au1 h GLU 85 Cb 0.05 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1au1 h GLU 85 CO -0.05 0.88 -0.19 -0.91 -1.16 0.00 0.00 179.01 177.58 1au1 h ASN 86 N 1.29 0.70 -0.33 1.42 -0.26 -0.41 -1.83 115.58 116.15 1au1 h ASN 86 Ca 0.34 -0.43 0.03 0.00 -0.56 0.00 0.00 56.30 55.68 1au1 h ASN 86 Cb -0.07 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 1au1 h ASN 86 CO -0.07 0.97 0.16 0.25 -1.06 0.00 0.00 177.43 177.68 1au1 h LEU 87 N 0.42 0.22 -0.85 1.61 6.46 -0.73 0.05 115.31 122.48 1au1 h LEU 87 Ca 0.06 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1au1 h LEU 87 Cb 0.73 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1au1 h LEU 87 CO 0.05 0.17 -0.33 -0.07 -0.62 0.00 0.00 178.44 177.64 1au1 h LEU 88 N 0.33 0.47 -0.01 2.25 3.38 -1.30 -0.96 115.31 119.47 1au1 h LEU 88 Ca 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1au1 h LEU 88 Cb 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1au1 h LEU 88 CO -0.11 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1au1 h ALA 89 N 1.25 0.01 0.24 1.53 0.00 -0.84 -0.13 119.26 121.34 1au1 h ALA 89 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1au1 h ALA 89 Cb 0.77 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1au1 h ALA 89 CO 0.06 -0.42 -0.16 -0.97 0.00 0.00 0.00 179.25 177.76 1au1 h ASN 90 N -0.11 -0.41 -0.50 0.00 -0.73 -0.81 -0.50 115.58 112.51 1au1 h ASN 90 Ca 0.00 0.03 0.09 0.00 1.87 0.00 0.00 56.30 58.29 1au1 h ASN 90 Cb 0.13 0.13 -0.07 0.00 0.27 0.00 0.00 38.32 38.77 1au1 h ASN 90 CO -0.00 -0.26 0.08 0.58 -0.37 0.00 0.00 177.43 177.46 1au1 h VAL 91 N -0.40 0.69 0.22 2.57 2.07 -1.13 -1.63 116.25 118.66 1au1 h VAL 91 Ca -0.02 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1au1 h VAL 91 Cb 0.34 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1au1 h VAL 91 CO 0.01 0.04 -0.18 0.22 0.02 0.00 0.00 177.57 177.68 1au1 h TYR 92 N 0.21 -0.46 -0.68 1.57 3.20 -0.53 0.28 116.97 120.56 1au1 h TYR 92 Ca 0.25 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.21 1au1 h TYR 92 Cb 0.35 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 1au1 h TYR 92 CO -0.25 -0.27 0.45 1.25 -1.64 0.00 0.00 178.16 177.70 1au1 h HIS 93 N -0.41 0.64 0.07 -3.82 2.76 -0.69 -2.40 115.15 111.30 1au1 h HIS 93 Ca -0.01 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 57.92 1au1 h HIS 93 Cb 0.37 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.13 1au1 h HIS 93 CO -0.12 0.32 -1.11 0.37 -1.30 0.00 0.00 177.93 176.09 1au1 h GLN 94 N 0.62 0.40 -0.81 5.26 5.75 -0.90 -3.01 115.11 122.42 1au1 h GLN 94 Ca 0.31 -0.53 0.13 0.00 -0.15 0.00 0.00 58.65 58.41 1au1 h GLN 94 Cb 0.39 0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.06 1au1 h GLN 94 CO -0.10 1.20 0.53 0.82 -2.65 0.00 0.00 178.83 178.63 1au1 h ILE 95 N 0.18 0.86 -0.14 2.39 2.04 -0.45 -1.88 117.51 120.52 1au1 h ILE 95 Ca -0.12 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1au1 h ILE 95 Cb 1.78 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1au1 h ILE 95 CO 0.19 0.11 0.03 -1.13 0.00 0.00 0.00 178.15 177.35 1au1 h ASN 96 N 0.62 0.21 -0.67 1.72 -1.24 -1.37 -1.31 115.58 113.54 1au1 h ASN 96 Ca 0.39 -0.24 0.05 0.00 0.71 0.00 0.00 56.30 57.22 1au1 h ASN 96 Cb 0.66 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 39.61 1au1 h ASN 96 CO -0.16 0.40 0.39 0.45 -1.29 0.00 0.00 177.43 177.22 1au1 h HIS 97 N 0.01 0.72 -0.67 0.67 3.86 -1.24 0.73 115.15 119.23 1au1 h HIS 97 Ca 0.04 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1au1 h HIS 97 Cb 0.27 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 1au1 h HIS 97 CO 0.01 0.36 0.43 -0.07 0.86 0.00 0.00 177.93 179.52 1au1 h LEU 98 N 0.73 0.72 -0.03 2.43 3.38 -1.29 -2.17 115.31 119.08 1au1 h LEU 98 Ca 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1au1 h LEU 98 Cb 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1au1 h LEU 98 CO -0.16 0.50 0.02 0.50 0.09 0.00 0.00 178.44 179.39 1au1 h LYS 99 N 0.85 0.04 -0.60 1.13 3.64 -0.01 0.87 116.57 122.49 1au1 h LYS 99 Ca 0.26 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.76 1au1 h LYS 99 Cb -0.02 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.70 1au1 h LYS 99 CO -0.09 0.04 0.10 1.15 -2.27 0.00 0.00 179.45 178.39 1au1 h THR 100 N 0.03 0.61 -0.05 1.00 2.02 -0.63 -0.55 112.91 115.33 1au1 h THR 100 Ca 0.01 -0.08 -0.17 0.00 0.77 0.00 0.00 66.41 66.94 1au1 h THR 100 Cb 0.01 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1au1 h THR 100 CO -0.00 0.04 -0.63 0.58 0.37 0.00 0.00 175.52 175.88 1au1 h VAL 101 N 0.23 1.37 -0.59 3.16 2.07 -1.17 -3.21 116.25 118.11 1au1 h VAL 101 Ca 0.32 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1au1 h VAL 101 Cb 0.49 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1au1 h VAL 101 CO -0.43 0.59 0.30 -0.07 0.02 0.00 0.00 177.57 177.98 1au1 h LEU 102 N 0.10 0.73 -1.67 2.57 3.38 -0.53 -2.01 115.31 117.88 1au1 h LEU 102 Ca -0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1au1 h LEU 102 Cb 1.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1au1 h LEU 102 CO 0.13 0.61 -0.07 -0.33 0.09 0.00 0.00 178.44 178.87 1au1 h GLU 103 N 0.82 0.13 -0.89 1.13 5.08 -1.17 -2.34 114.58 117.34 1au1 h GLU 103 Ca 0.21 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1au1 h GLU 103 Cb 0.06 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1au1 h GLU 103 CO -0.03 0.20 0.58 0.93 -1.00 0.00 0.00 179.01 179.69 1au1 h GLU 104 N 0.12 1.17 -0.22 2.33 5.08 -1.36 -2.82 114.58 118.89 1au1 h GLU 104 Ca 0.03 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1au1 h GLU 104 Cb 0.20 -0.26 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 1au1 h GLU 104 CO 0.01 0.78 -0.28 1.63 -1.00 0.00 0.00 179.01 180.15 1au1 n LYS 105 N -4.46 1.77 -0.33 2.33 5.02 -1.14 -4.79 118.16 116.58 1au1 n LYS 105 Ca 0.10 -3.27 0.28 0.00 -2.02 0.00 0.00 58.31 53.39 1au1 n LYS 105 Cb 0.02 -1.75 0.61 0.00 -0.02 0.00 0.00 35.03 33.89 1au1 n LYS 105 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1au1 h LEU 106 N 1.04 0.27 0.00 -0.35 5.85 -1.15 -0.64 115.31 120.33 1au1 h LEU 106 Ca 0.14 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1au1 h LEU 106 Cb 1.37 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1au1 h LEU 106 CO 0.24 0.03 -0.68 1.05 -0.34 0.00 0.00 178.44 178.74 1au1 h GLU 107 N 0.23 0.00 0.00 1.25 9.09 -1.86 -3.36 114.58 119.92 1au1 h GLU 107 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.01 1au1 h GLU 107 Cb 1.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.95 1au1 h GLU 107 CO -0.20 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.49 1au1 n LYS 108 N -2.23 0.13 -4.01 1.06 4.76 -0.25 -4.79 118.16 112.83 1au1 n LYS 108 Ca 0.03 0.08 -0.32 0.00 -2.87 0.00 0.00 58.31 55.22 1au1 n LYS 108 Cb 0.46 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.09 1au1 n LYS 108 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1au1 s GLU 109 N -2.84 3.17 0.12 1.97 4.04 -1.25 -5.12 118.70 118.79 1au1 s GLU 109 Ca 0.16 -0.50 0.09 0.00 0.04 0.00 0.00 54.97 54.77 1au1 s GLU 109 Cb 0.16 -2.91 -0.04 0.00 0.02 0.00 0.00 34.13 31.36 1au1 s GLU 109 CO 0.41 0.62 -0.20 -0.51 -1.84 0.00 0.00 175.26 173.75 1au1 s ASP 110 N -2.11 3.76 -0.37 0.83 1.01 -1.26 -5.06 116.67 113.48 1au1 s ASP 110 Ca 0.28 -0.61 -0.27 0.00 0.71 0.00 0.00 52.55 52.66 1au1 s ASP 110 Cb -0.12 -0.47 -0.05 0.00 1.01 0.00 0.00 42.92 43.29 1au1 s ASP 110 CO 0.20 0.17 2.20 0.12 0.21 0.00 0.00 175.17 178.08 1au1 s PHE 111 N -1.16 1.26 0.32 4.23 5.36 -1.26 -4.93 117.98 121.80 1au1 s PHE 111 Ca 0.17 0.96 0.10 0.00 -0.96 0.00 0.00 56.93 57.20 1au1 s PHE 111 Cb -0.10 -3.84 -0.06 0.00 -0.34 0.00 0.00 43.02 38.68 1au1 s PHE 111 CO 0.09 -3.20 -0.08 0.95 -1.46 0.00 0.00 175.22 171.52 1au1 s THR 112 N 9.65 2.48 0.21 0.12 -4.23 -1.26 -5.02 115.64 117.59 1au1 s THR 112 Ca 0.94 -2.17 0.21 0.00 -1.18 0.00 0.00 61.69 59.49 1au1 s THR 112 Cb -0.24 -2.62 0.19 0.00 1.34 0.00 0.00 72.50 71.17 1au1 s THR 112 CO 0.30 -0.26 1.83 -0.09 -0.54 0.00 0.00 174.62 175.86 1au1 h ARG 113 N 2.01 0.00 -0.57 3.99 2.43 -1.98 -0.26 114.38 120.00 1au1 h ARG 113 Ca -0.42 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.68 1au1 h ARG 113 Cb 1.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1au1 h ARG 113 CO 0.66 0.28 0.10 0.78 -1.51 0.00 0.00 179.97 180.29 1au1 h GLY 114 N 1.79 1.02 0.90 2.80 0.00 -1.97 -0.32 103.07 107.28 1au1 h GLY 114 Ca -0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 47.33 46.52 1au1 h GLY 114 CO 0.04 0.62 -0.44 0.50 0.00 0.00 0.00 176.54 177.26 1au1 h LYS 115 N 0.84 0.56 0.39 4.80 1.57 -1.80 -1.42 116.57 121.51 1au1 h LYS 115 Ca 0.17 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1au1 h LYS 115 Cb 0.41 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1au1 h LYS 115 CO 0.01 1.03 -0.35 1.25 -0.57 0.00 0.00 179.45 180.82 1au1 h LEU 116 N 0.20 -0.92 -1.56 2.94 6.46 -1.01 -1.59 115.31 119.83 1au1 h LEU 116 Ca -0.01 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1au1 h LEU 116 Cb 1.06 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 41.29 1au1 h LEU 116 CO 0.09 -0.50 -0.20 0.24 -0.62 0.00 0.00 178.44 177.46 1au1 h MET 117 N -0.75 0.02 -0.13 1.25 2.86 -1.10 -2.25 114.93 114.83 1au1 h MET 117 Ca -0.03 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 1au1 h MET 117 Cb 0.66 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1au1 h MET 117 CO -0.03 0.23 -0.19 1.03 1.06 0.00 0.00 176.91 179.00 1au1 h SER 118 N 0.02 0.39 -0.18 1.22 0.87 -1.05 -1.51 113.55 113.31 1au1 h SER 118 Ca 0.00 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 1au1 h SER 118 Cb 0.37 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1au1 h SER 118 CO 0.03 0.84 0.09 -1.28 -0.53 0.00 0.00 176.83 175.97 1au1 h SER 119 N -0.05 0.24 -0.09 6.23 0.87 -1.16 -1.63 113.55 117.97 1au1 h SER 119 Ca 0.01 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1au1 h SER 119 Cb 0.75 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1au1 h SER 119 CO 0.04 0.30 0.01 -0.07 -0.53 0.00 0.00 176.83 176.58 1au1 h LEU 120 N 0.16 0.14 -1.15 2.23 3.38 -1.49 0.12 115.31 118.71 1au1 h LEU 120 Ca 0.06 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1au1 h LEU 120 Cb 0.13 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1au1 h LEU 120 CO -0.01 0.38 0.58 0.45 0.09 0.00 0.00 178.44 179.93 1au1 h HIS 121 N -0.11 1.08 -0.29 1.13 3.86 -1.27 -0.97 115.15 118.58 1au1 h HIS 121 Ca 0.03 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 1au1 h HIS 121 Cb 0.30 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1au1 h HIS 121 CO 0.02 0.65 -0.26 -0.07 0.86 0.00 0.00 177.93 179.13 1au1 h LEU 122 N 1.14 0.74 -0.65 2.43 3.38 -1.16 -1.27 115.31 119.92 1au1 h LEU 122 Ca 0.34 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1au1 h LEU 122 Cb -0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1au1 h LEU 122 CO -0.09 1.05 0.40 0.11 0.09 0.00 0.00 178.44 180.00 1au1 h LYS 123 N 0.45 0.77 -0.03 1.13 1.57 -0.34 -2.38 116.57 117.73 1au1 h LYS 123 Ca 0.05 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1au1 h LYS 123 Cb 0.83 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1au1 h LYS 123 CO 0.07 0.51 -0.57 0.00 -0.57 0.00 0.00 179.45 178.89 1au1 h ARG 124 N 0.80 0.10 0.58 3.15 3.08 -1.10 0.30 114.38 121.28 1au1 h ARG 124 Ca 0.26 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1au1 h ARG 124 Cb 0.01 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.07 1au1 h ARG 124 CO -0.10 0.64 -0.28 -0.92 -1.07 0.00 0.00 179.97 178.24 1au1 h TYR 125 N 0.07 -0.72 0.00 3.04 3.20 -0.97 0.14 116.97 121.73 1au1 h TYR 125 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1au1 h TYR 125 Cb 1.02 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 1au1 h TYR 125 CO 0.01 -0.39 -0.04 1.88 -1.64 0.00 0.00 178.16 177.98 1au1 h TYR 126 N -1.06 0.00 0.52 -3.82 0.05 -1.45 -0.73 116.97 110.49 1au1 h TYR 126 Ca -0.08 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 1au1 h TYR 126 Cb 0.66 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.40 1au1 h TYR 126 CO 0.00 0.04 -0.25 0.78 -1.05 0.00 0.00 178.16 177.68 1au1 h GLY 127 N 0.23 -0.73 0.89 3.88 0.00 -0.44 -0.16 103.07 106.73 1au1 h GLY 127 Ca -0.00 0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.68 1au1 h GLY 127 CO 0.00 -0.27 0.53 3.21 0.00 0.00 0.00 176.54 180.02 1au1 h ARG 128 N -0.71 0.81 0.30 4.80 3.08 0.49 -0.21 114.38 122.93 1au1 h ARG 128 Ca -0.07 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1au1 h ARG 128 Cb 0.54 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1au1 h ARG 128 CO 0.12 0.54 -0.14 0.82 -1.07 0.00 0.00 179.97 180.23 1au1 h ILE 129 N 0.83 0.73 -0.86 2.04 2.04 -1.02 -1.67 117.51 119.60 1au1 h ILE 129 Ca 0.36 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 66.08 1au1 h ILE 129 Cb 0.32 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1au1 h ILE 129 CO -0.14 0.03 0.57 -0.07 0.00 0.00 0.00 178.15 178.55 1au1 h LEU 130 N -0.48 0.99 -1.32 1.44 3.38 -0.22 -1.97 115.31 117.14 1au1 h LEU 130 Ca -0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1au1 h LEU 130 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1au1 h LEU 130 CO 0.07 0.71 0.36 -0.74 0.09 0.00 0.00 178.44 178.93 1au1 h HIS 131 N 1.16 0.80 -0.41 1.13 2.76 -0.98 -2.22 115.15 117.39 1au1 h HIS 131 Ca 0.32 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.37 1au1 h HIS 131 Cb -0.12 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.56 1au1 h HIS 131 CO -0.01 0.54 -0.23 -0.92 -1.30 0.00 0.00 177.93 176.01 1au1 h TYR 132 N 0.84 0.94 -0.20 5.26 3.20 -0.56 -0.65 116.97 125.80 1au1 h TYR 132 Ca 0.22 -0.22 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1au1 h TYR 132 Cb -0.02 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1au1 h TYR 132 CO 0.00 0.97 0.03 -0.07 -1.64 0.00 0.00 178.16 177.46 1au1 h LEU 133 N 0.71 0.32 0.16 2.82 3.38 -1.06 -1.72 115.31 119.93 1au1 h LEU 133 Ca 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1au1 h LEU 133 Cb 0.76 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1au1 h LEU 133 CO 0.06 0.49 -0.14 0.50 0.09 0.00 0.00 178.44 179.44 1au1 h LYS 134 N 0.13 -0.31 -0.96 1.13 3.64 -1.25 0.12 116.57 119.07 1au1 h LYS 134 Ca 0.06 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1au1 h LYS 134 Cb 0.31 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 1au1 h LYS 134 CO 0.00 -0.21 0.62 0.00 -2.27 0.00 0.00 179.45 177.59 1au1 h ALA 135 N 0.49 1.32 -0.07 5.00 0.00 -1.15 -0.29 119.26 124.57 1au1 h ALA 135 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1au1 h ALA 135 Cb 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1au1 h ALA 135 CO -0.02 0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.28 1au1 n LYS 136 N -4.52 1.23 -3.03 0.00 4.76 -0.65 -4.89 118.16 111.07 1au1 n LYS 136 Ca 0.14 -0.27 -0.18 0.00 -2.87 0.00 0.00 58.31 55.13 1au1 n LYS 136 Cb 0.16 -1.22 -0.01 0.00 -1.84 0.00 0.00 35.03 32.13 1au1 n LYS 136 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1au1 n GLU 137 N -0.18 -2.94 -3.63 1.97 1.02 -0.12 -1.70 120.64 115.06 1au1 n GLU 137 Ca 0.02 0.45 -0.23 0.00 -0.02 0.00 0.00 57.16 57.39 1au1 n GLU 137 Cb 0.15 -5.10 0.06 0.00 -0.02 0.00 0.00 31.44 26.53 1au1 n GLU 137 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1au1 n TYR 138 N -3.62 -2.35 -1.36 -0.32 4.01 0.36 -4.98 117.16 108.90 1au1 n TYR 138 Ca -0.05 0.93 -0.30 0.00 -0.16 0.00 0.00 57.90 58.33 1au1 n TYR 138 Cb 0.55 -4.71 0.12 0.00 -0.31 0.00 0.00 39.34 34.99 1au1 n TYR 138 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1au1 s SER 139 N -3.86 3.89 0.29 7.72 1.04 -0.69 -4.64 113.70 117.45 1au1 s SER 139 Ca 0.30 1.39 0.03 0.00 0.48 0.00 0.00 55.95 58.14 1au1 s SER 139 Cb -0.14 -2.09 0.46 0.00 0.10 0.00 0.00 66.02 64.35 1au1 s SER 139 CO 0.77 -2.36 1.77 -0.74 0.98 0.00 0.00 173.24 173.65 1au1 h HIS 140 N -1.36 0.56 0.00 5.02 2.76 -1.91 -2.34 115.15 117.88 1au1 h HIS 140 Ca -0.48 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 57.59 1au1 h HIS 140 Cb 1.28 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.09 1au1 h HIS 140 CO 0.43 0.66 0.00 0.00 -1.30 0.00 0.00 177.93 177.72 1au1 h ALA 142 N 2.17 0.17 -0.40 0.00 0.00 -1.84 -3.31 119.26 116.04 1au1 h ALA 142 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 54.91 53.84 1au1 h ALA 142 Cb 0.67 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1au1 h ALA 142 CO 0.00 0.84 0.27 -1.49 0.00 0.00 0.00 179.25 178.86 1au1 h TRP 143 N -0.26 0.49 -0.17 0.00 4.06 -1.33 -0.05 115.95 118.68 1au1 h TRP 143 Ca -0.30 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.63 1au1 h TRP 143 Cb 1.80 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.79 1au1 h TRP 143 CO 0.12 0.30 0.01 1.15 -3.56 0.00 0.00 178.44 176.46 1au1 h THR 144 N 0.52 1.25 -0.72 1.49 2.02 -1.62 0.53 112.91 116.37 1au1 h THR 144 Ca 0.15 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1au1 h THR 144 Cb -0.02 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1au1 h THR 144 CO -0.03 0.25 0.36 0.40 0.37 0.00 0.00 175.52 176.86 1au1 h ILE 145 N 0.06 1.23 -0.27 3.11 2.04 -1.46 -2.26 117.51 119.95 1au1 h ILE 145 Ca 0.05 -0.61 -0.15 0.00 1.00 0.00 0.00 64.86 65.15 1au1 h ILE 145 Cb 0.36 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1au1 h ILE 145 CO 0.01 0.26 -0.42 0.58 0.00 0.00 0.00 178.15 178.59 1au1 h VAL 146 N 1.02 1.30 -0.44 1.67 2.07 -0.78 -2.71 116.25 118.37 1au1 h VAL 146 Ca 0.25 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 66.19 1au1 h VAL 146 Cb 0.08 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1au1 h VAL 146 CO -0.04 0.52 0.25 -0.09 0.02 0.00 0.00 177.57 178.23 1au1 h ARG 147 N 0.50 0.50 -0.81 1.57 2.43 -0.54 -0.69 114.38 117.34 1au1 h ARG 147 Ca 0.02 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1au1 h ARG 147 Cb 1.01 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 1au1 h ARG 147 CO 0.10 0.33 0.53 0.28 -1.51 0.00 0.00 179.97 179.69 1au1 h VAL 148 N 0.51 1.21 -0.34 0.20 2.07 -1.41 0.02 116.25 118.51 1au1 h VAL 148 Ca 0.18 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1au1 h VAL 148 Cb 0.03 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1au1 h VAL 148 CO -0.09 0.21 0.08 -0.08 0.02 0.00 0.00 177.57 177.71 1au1 h GLU 149 N 1.10 0.54 -0.62 1.57 4.57 -0.97 -1.69 114.58 119.09 1au1 h GLU 149 Ca 0.30 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 1au1 h GLU 149 Cb -0.11 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 1au1 h GLU 149 CO -0.06 0.59 0.09 0.82 -1.18 0.00 0.00 179.01 179.26 1au1 h ILE 150 N 0.39 1.26 -0.80 2.32 1.08 -0.66 -0.27 117.51 120.82 1au1 h ILE 150 Ca 0.11 -1.02 -0.03 0.00 -0.39 0.00 0.00 64.86 63.53 1au1 h ILE 150 Cb 0.29 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 1au1 h ILE 150 CO 0.00 0.38 0.40 -0.07 -0.69 0.00 0.00 178.15 178.16 1au1 h LEU 151 N 0.95 1.03 -1.14 1.44 3.38 -0.82 0.46 115.31 120.61 1au1 h LEU 151 Ca 0.19 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1au1 h LEU 151 Cb 0.43 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1au1 h LEU 151 CO 0.01 0.86 -0.16 -0.09 0.09 0.00 0.00 178.44 179.15 1au1 h ARG 152 N 1.13 0.41 -0.79 1.13 2.43 -0.62 -2.39 114.38 115.69 1au1 h ARG 152 Ca 0.28 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1au1 h ARG 152 Cb 0.09 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1au1 h ARG 152 CO -0.04 0.57 0.46 -0.91 -1.51 0.00 0.00 179.97 178.54 1au1 h ASN 153 N 0.38 0.96 0.52 -3.80 -0.26 0.79 -1.86 115.58 112.31 1au1 h ASN 153 Ca 0.07 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1au1 h ASN 153 Cb 0.50 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1au1 h ASN 153 CO 0.03 0.76 -0.05 -0.26 -1.06 0.00 0.00 177.43 176.85 1au1 h PHE 154 N 1.08 0.00 -0.68 1.19 0.04 -0.63 -1.67 116.94 116.27 1au1 h PHE 154 Ca 0.28 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.99 1au1 h PHE 154 Cb -0.01 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1au1 h PHE 154 CO -0.00 0.05 0.17 -0.92 -0.60 0.00 0.00 178.31 177.01 1au1 h TYR 155 N 0.00 1.12 -0.00 -0.55 5.03 -1.17 0.66 116.97 122.05 1au1 h TYR 155 Ca -0.00 -0.12 -0.20 0.00 2.58 0.00 0.00 58.73 60.99 1au1 h TYR 155 Cb 0.33 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1au1 h TYR 155 CO 0.00 0.91 -0.86 0.74 -1.32 0.00 0.00 178.16 177.62 1au1 h PHE 156 N 1.02 0.32 -0.67 -3.82 0.04 -1.40 -2.86 116.94 109.58 1au1 h PHE 156 Ca 0.22 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 1au1 h PHE 156 Cb 0.35 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1au1 h PHE 156 CO 0.03 0.98 0.20 0.82 -0.60 0.00 0.00 178.31 179.73 1au1 h ILE 157 N 0.12 1.25 0.28 -0.55 2.04 -0.72 -1.18 117.51 118.75 1au1 h ILE 157 Ca -0.04 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1au1 h ILE 157 Cb 1.49 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1au1 h ILE 157 CO 0.13 0.34 -0.13 0.78 0.00 0.00 0.00 178.15 179.27 1au1 h ASN 158 N 0.99 -0.32 -0.47 1.72 -0.26 -0.78 -0.41 115.58 116.05 1au1 h ASN 158 Ca 0.22 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 56.04 1au1 h ASN 158 Cb 0.30 0.08 -0.07 0.00 -1.06 0.00 0.00 38.32 37.57 1au1 h ASN 158 CO -0.01 -0.22 0.06 -0.09 -1.06 0.00 0.00 177.43 176.11 1au1 h ARG 159 N -0.39 0.17 -0.34 0.81 2.43 -1.30 -1.89 114.38 113.88 1au1 h ARG 159 Ca -0.04 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1au1 h ARG 159 Cb 0.30 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1au1 h ARG 159 CO 0.06 0.11 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.38 1au1 h LEU 160 N 0.18 0.62 -2.19 3.80 3.38 -1.09 -2.51 115.31 117.50 1au1 h LEU 160 Ca 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1au1 h LEU 160 Cb 0.32 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1au1 h LEU 160 CO -0.34 0.81 0.00 0.74 0.09 0.00 0.00 178.44 179.74 1au1 h THR 161 N 0.56 0.00 0.00 0.22 2.02 -0.23 0.01 112.91 115.48 1au1 h THR 161 Ca 0.09 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1au1 h THR 161 Cb 0.63 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1au1 h THR 161 CO 0.04 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.54 1au1 n GLY 162 N -0.94 -1.17 0.83 2.16 0.00 -0.94 -2.58 105.19 102.55 1au1 n GLY 162 Ca -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1au1 n GLY 162 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1au1 n TYR 163 N -1.41 0.00 -2.03 1.61 4.01 -0.01 -4.71 117.16 114.62 1au1 n TYR 163 Ca 0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 1au1 n TYR 163 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1au1 n TYR 163 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1au1 n LEU 164 N 0.96 7.01 -3.75 7.72 4.77 -1.07 -4.01 117.00 128.64 1au1 n LEU 164 Ca 0.13 -4.49 -0.10 0.00 -0.03 0.00 0.00 56.01 51.52 1au1 n LEU 164 Cb 0.56 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.06 1au1 n LEU 164 CO 0.18 1.41 0.07 0.00 -1.33 0.00 0.00 177.39 177.72 1au1 s ARG 165 N 1.27 1.04 0.00 3.23 1.70 -1.26 -3.92 118.95 121.02 1au1 s ARG 165 Ca 0.45 -0.85 0.00 0.00 -0.47 0.00 0.00 55.73 54.86 1au1 s ARG 165 Cb 0.12 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 1au1 s ARG 165 CO -0.04 -0.39 0.00 0.09 -1.08 0.00 0.00 175.30 173.88