#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1au1 s SER 2 N 0.00 5.23 0.32 6.12 1.04 -1.26 -4.93 113.70 120.22 1au1 s SER 2 Ca 0.00 1.15 0.04 0.00 0.48 0.00 0.00 55.95 57.61 1au1 s SER 2 Cb 0.00 -1.92 0.55 0.00 0.10 0.00 0.00 66.02 64.75 1au1 s SER 2 CO 0.00 -1.48 1.83 1.88 0.98 0.00 0.00 173.24 176.45 1au1 h TYR 3 N -0.75 0.54 -0.94 5.02 0.05 -1.90 -2.64 116.97 116.36 1au1 h TYR 3 Ca -0.45 -0.07 0.06 0.00 0.05 0.00 0.00 58.73 58.32 1au1 h TYR 3 Cb 1.26 -0.15 -0.06 0.00 1.01 0.00 0.00 36.73 38.79 1au1 h TYR 3 CO 0.49 0.58 0.61 -0.97 -1.05 0.00 0.00 178.16 177.82 1au1 h ASN 4 N 0.48 0.95 -0.25 3.88 -1.24 -1.88 0.22 115.58 117.74 1au1 h ASN 4 Ca 0.09 0.01 -0.19 0.00 0.71 0.00 0.00 56.30 56.92 1au1 h ASN 4 Cb 0.43 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1au1 h ASN 4 CO 0.02 0.61 -0.59 0.25 -1.29 0.00 0.00 177.43 176.43 1au1 h LEU 5 N 1.08 0.95 -0.36 0.34 5.85 -1.81 -2.15 115.31 119.21 1au1 h LEU 5 Ca 0.40 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1au1 h LEU 5 Cb 0.18 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1au1 h LEU 5 CO -0.15 1.34 0.11 0.25 -0.34 0.00 0.00 178.44 179.65 1au1 h LEU 6 N 0.61 0.52 -0.99 2.25 5.85 -1.06 -1.00 115.31 121.50 1au1 h LEU 6 Ca -0.00 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1au1 h LEU 6 Cb 1.21 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1au1 h LEU 6 CO 0.13 0.59 0.64 1.23 -0.34 0.00 0.00 178.44 180.68 1au1 h GLY 7 N 0.43 1.40 1.13 3.75 0.00 -0.58 0.10 103.07 109.31 1au1 h GLY 7 Ca 0.12 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.75 1au1 h GLY 7 CO -0.00 0.53 -0.37 -2.75 0.00 0.00 0.00 176.54 173.95 1au1 h PHE 8 N 1.34 1.14 0.00 5.60 3.57 -1.25 -0.83 116.94 126.50 1au1 h PHE 8 Ca 0.36 -0.33 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1au1 h PHE 8 Cb -0.13 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 1au1 h PHE 8 CO 0.00 1.17 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.96 1au1 h LEU 9 N 0.78 0.00 0.21 0.59 3.38 -0.46 -1.23 115.31 118.58 1au1 h LEU 9 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1au1 h LEU 9 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1au1 h LEU 9 CO 0.09 0.21 -0.10 1.56 0.09 0.00 0.00 178.44 180.30 1au1 h GLN 10 N 0.00 -0.27 -0.96 1.13 1.08 -0.59 -1.87 115.11 113.63 1au1 h GLN 10 Ca -0.00 0.02 0.22 0.00 -1.45 0.00 0.00 58.65 57.43 1au1 h GLN 10 Cb 0.40 0.06 -0.12 0.00 -0.05 0.00 0.00 27.48 27.78 1au1 h GLN 10 CO 0.03 0.02 0.53 0.00 -0.95 0.00 0.00 178.83 178.46 1au1 h ARG 11 N -1.00 0.56 -0.45 1.46 3.08 -1.03 0.24 114.38 117.26 1au1 h ARG 11 Ca -0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1au1 h ARG 11 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1au1 h ARG 11 CO 0.05 0.37 0.04 1.03 -1.07 0.00 0.00 179.97 180.40 1au1 h SER 12 N 0.58 0.73 0.71 7.04 0.87 -1.27 -1.88 113.55 120.33 1au1 h SER 12 Ca 0.59 -0.28 -0.21 0.00 -1.23 0.00 0.00 61.79 60.66 1au1 h SER 12 Cb 1.05 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1au1 h SER 12 CO -0.46 0.83 -0.97 0.77 -0.53 0.00 0.00 176.83 176.47 1au1 h SER 13 N 0.61 0.21 0.37 6.23 4.64 -0.04 -2.67 113.55 122.91 1au1 h SER 13 Ca 0.13 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1au1 h SER 13 Cb 0.43 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1au1 h SER 13 CO 0.01 1.06 -0.26 0.78 -0.87 0.00 0.00 176.83 177.56 1au1 h ASN 14 N 0.07 -0.67 -0.95 4.97 2.35 -0.61 0.43 115.58 121.18 1au1 h ASN 14 Ca -0.05 0.05 0.16 0.00 -0.55 0.00 0.00 56.30 55.91 1au1 h ASN 14 Cb 1.65 0.21 -0.08 0.00 0.05 0.00 0.00 38.32 40.15 1au1 h ASN 14 CO 0.14 -0.40 0.60 0.15 -1.65 0.00 0.00 177.43 176.28 1au1 h PHE 15 N -0.62 0.91 -0.34 1.19 3.04 -1.36 0.64 116.94 120.39 1au1 h PHE 15 Ca -0.03 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.80 1au1 h PHE 15 Cb 0.53 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1au1 h PHE 15 CO -0.12 0.28 -0.33 0.37 -2.02 0.00 0.00 178.31 176.49 1au1 h GLN 16 N 0.72 0.83 -0.19 1.11 5.75 -0.87 -0.90 115.11 121.56 1au1 h GLN 16 Ca 0.50 -0.44 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1au1 h GLN 16 Cb 0.81 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 1au1 h GLN 16 CO -0.26 1.07 0.07 0.00 -2.65 0.00 0.00 178.83 177.06 1au1 h GLN 18 N 0.15 1.05 -0.65 0.00 4.20 0.32 -2.02 115.11 118.16 1au1 h GLN 18 Ca 0.06 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.64 1au1 h GLN 18 Cb 0.18 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1au1 h GLN 18 CO -0.00 0.81 0.42 -0.22 -0.67 0.00 0.00 178.83 179.17 1au1 h LYS 19 N 1.04 0.81 -0.50 1.46 3.64 -0.85 -2.08 116.57 120.09 1au1 h LYS 19 Ca 0.25 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1au1 h LYS 19 Cb 0.12 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1au1 h LYS 19 CO -0.03 0.54 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.57 1au1 h LEU 20 N 0.84 0.85 -1.48 5.20 3.38 -0.76 -2.21 115.31 121.13 1au1 h LEU 20 Ca 0.25 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1au1 h LEU 20 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1au1 h LEU 20 CO -0.07 0.94 -0.04 -0.07 0.09 0.00 0.00 178.44 179.29 1au1 h LEU 21 N 0.80 0.27 -0.18 1.67 3.38 -1.06 -1.77 115.31 118.42 1au1 h LEU 21 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1au1 h LEU 21 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1au1 h LEU 21 CO 0.03 0.35 0.00 0.79 0.09 0.00 0.00 178.44 179.70 1au1 n TRP 22 N -4.34 0.05 -1.03 1.13 7.02 -0.81 -3.52 117.44 115.95 1au1 n TRP 22 Ca -0.00 -0.03 0.09 0.00 -1.02 0.00 0.00 57.50 56.55 1au1 n TRP 22 Cb 0.21 0.00 0.19 0.00 -2.42 0.00 0.00 31.31 29.29 1au1 n TRP 22 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1au1 n GLN 23 N -0.49 1.95 -0.07 -0.99 6.02 -0.67 -4.67 117.38 118.46 1au1 n GLN 23 Ca 0.08 -2.68 -0.08 0.00 -0.01 0.00 0.00 57.00 54.31 1au1 n GLN 23 Cb 0.07 -1.63 -0.11 0.00 1.02 0.00 0.00 30.24 29.59 1au1 n GLN 23 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1au1 n LEU 24 N -1.06 0.69 -4.80 1.08 4.77 -1.23 -4.89 117.00 111.56 1au1 n LEU 24 Ca 0.18 -0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.85 1au1 n LEU 24 Cb 0.74 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.90 1au1 n LEU 24 CO 0.07 0.45 -0.13 0.21 -1.33 0.00 0.00 177.39 176.66 1au1 s ASN 25 N -4.98 4.34 -0.18 -1.43 2.47 -1.26 -4.73 114.94 109.17 1au1 s ASN 25 Ca -0.11 -1.41 -0.04 0.00 0.42 0.00 0.00 52.86 51.72 1au1 s ASN 25 Cb 0.05 0.30 0.09 0.00 -1.45 0.00 0.00 41.25 40.23 1au1 s ASN 25 CO 0.54 -0.88 0.22 -0.83 -3.72 0.00 0.00 177.10 172.43 1au1 s GLY 26 N -4.02 0.00 0.00 1.21 0.00 -1.26 -5.12 107.32 98.14 1au1 s GLY 26 Ca 0.22 0.34 -0.18 0.00 0.00 0.00 0.00 44.72 45.10 1au1 s GLY 26 CO 0.13 2.08 0.48 -2.13 0.00 0.00 0.00 173.10 173.66 1au1 n ARG 27 N 5.32 0.00 -3.95 2.90 0.63 -1.26 -4.96 116.66 115.34 1au1 n ARG 27 Ca -0.05 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.54 1au1 n ARG 27 Cb 0.50 -0.68 -0.14 0.00 0.45 0.00 0.00 32.46 32.59 1au1 n ARG 27 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1au1 s LEU 28 N 0.04 4.01 0.09 6.15 1.43 -1.26 -4.97 118.68 124.18 1au1 s LEU 28 Ca 0.41 -1.49 -0.10 0.00 -1.03 0.00 0.00 54.13 51.92 1au1 s LEU 28 Cb -0.58 -1.67 -0.18 0.00 0.03 0.00 0.00 46.19 43.79 1au1 s LEU 28 CO 0.26 -0.28 1.23 -0.08 0.23 0.00 0.00 176.35 177.70 1au1 h GLU 29 N 7.90 0.59 -1.00 1.70 4.57 -2.03 -3.26 114.58 123.05 1au1 h GLU 29 Ca -0.18 -0.64 0.13 0.00 -1.18 0.00 0.00 59.36 57.49 1au1 h GLU 29 Cb 1.05 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.74 1au1 h GLU 29 CO 0.53 1.25 0.62 -0.92 -1.18 0.00 0.00 179.01 179.31 1au1 h TYR 30 N 0.32 1.12 0.00 0.92 3.20 -2.02 -1.85 116.97 118.66 1au1 h TYR 30 Ca -0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1au1 h TYR 30 Cb 1.67 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1au1 h TYR 30 CO 0.09 0.41 0.00 0.00 -1.64 0.00 0.00 178.16 177.02 1au1 h LEU 32 N 0.00 0.00 -1.48 0.00 3.38 -1.47 -0.01 115.31 115.73 1au1 h LEU 32 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1au1 h LEU 32 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1au1 h LEU 32 CO 0.00 0.00 -0.27 0.07 0.09 0.00 0.00 178.44 178.33 1au1 h LYS 33 N 0.00 0.00 -0.24 1.13 2.10 -1.74 -2.35 116.57 115.47 1au1 h LYS 33 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1au1 h LYS 33 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1au1 h LYS 33 CO 0.00 0.27 0.00 -0.25 -2.00 0.00 0.00 179.45 177.47 1au1 n ASP 34 N -4.02 1.90 -4.65 7.07 8.00 -0.02 -4.96 116.55 119.87 1au1 n ASP 34 Ca -0.02 -1.80 -0.46 0.00 0.71 0.00 0.00 54.79 53.22 1au1 n ASP 34 Cb 0.33 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1au1 n ASP 34 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1au1 n ARG 35 N 0.49 1.86 -3.72 -1.24 0.63 -0.89 -4.99 116.66 108.79 1au1 n ARG 35 Ca 0.16 0.66 -0.12 0.00 -0.92 0.00 0.00 57.85 57.62 1au1 n ARG 35 Cb 0.35 -2.29 -0.10 0.00 0.45 0.00 0.00 32.46 30.87 1au1 n ARG 35 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1au1 s MET 36 N -0.39 0.45 -0.22 -0.14 1.75 -1.26 -5.13 119.30 114.36 1au1 s MET 36 Ca 0.69 0.64 -0.25 0.00 -1.25 0.00 0.00 55.69 55.52 1au1 s MET 36 Cb -0.69 0.15 -0.01 0.00 2.84 0.00 0.00 34.83 37.12 1au1 s MET 36 CO 0.50 -0.09 0.85 -0.80 -0.65 0.00 0.00 175.02 174.83 1au1 s ASN 37 N 0.60 6.89 0.00 1.11 0.01 -1.26 -4.92 114.94 117.37 1au1 s ASN 37 Ca -0.03 1.10 0.24 0.00 -0.71 0.00 0.00 52.86 53.46 1au1 s ASN 37 Cb -0.05 -2.45 0.28 0.00 0.41 0.00 0.00 41.25 39.45 1au1 s ASN 37 CO -0.04 -0.49 1.26 0.49 -1.51 0.00 0.00 177.10 176.81 1au1 n PHE 38 N 5.79 0.00 -3.29 2.20 3.72 -1.26 -5.03 117.46 119.60 1au1 n PHE 38 Ca 0.06 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.19 1au1 n PHE 38 Cb 0.48 -0.09 0.03 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.89 -6.32 -4.78 4.37 8.00 -1.26 -4.89 116.55 110.78 1au1 n ASP 39 Ca 0.08 0.12 -0.41 0.00 0.71 0.00 0.00 54.79 55.29 1au1 n ASP 39 Cb 0.37 -2.77 -0.01 0.00 -0.02 0.00 0.00 41.12 38.69 1au1 n ASP 39 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1au1 s ILE 40 N -1.75 2.31 0.16 0.53 2.07 -1.26 -4.80 121.20 118.46 1au1 s ILE 40 Ca 0.31 0.31 -0.34 0.00 -1.41 0.00 0.00 60.65 59.53 1au1 s ILE 40 Cb -0.04 -3.20 -0.15 0.00 0.13 0.00 0.00 42.46 39.20 1au1 s ILE 40 CO 0.78 0.07 1.31 -2.65 -1.91 0.00 0.00 174.94 172.55 1au1 n PRO 41 N 0.57 1.46 -0.27 3.50 -0.02 -1.26 -4.83 135.00 134.15 1au1 n PRO 41 Ca 0.01 0.52 0.27 0.00 -2.02 0.00 0.00 63.50 62.28 1au1 n PRO 41 Cb 0.40 -2.12 0.63 0.00 -0.02 0.00 0.00 33.50 32.40 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 4.14 0.18 0.00 -0.52 4.81 -2.01 -1.24 114.58 119.94 1au1 h GLU 42 Ca -0.45 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 1au1 h GLU 42 Cb 1.32 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1au1 h GLU 42 CO 0.75 0.12 -0.47 1.05 -0.73 0.00 0.00 179.01 179.73 1au1 h GLU 43 N 0.18 0.00 0.00 1.92 9.09 -1.95 0.47 114.58 124.30 1au1 h GLU 43 Ca 0.52 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.88 1au1 h GLU 43 Cb 1.70 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.80 1au1 h GLU 43 CO -0.12 0.47 -0.21 0.82 0.05 0.00 0.00 179.01 180.02 1au1 h ILE 44 N 0.00 0.81 0.01 -1.06 1.08 -1.57 -0.68 117.51 116.09 1au1 h ILE 44 Ca -0.00 -0.85 -0.38 0.00 -0.39 0.00 0.00 64.86 63.23 1au1 h ILE 44 Cb 0.99 1.51 -0.07 0.00 -3.07 0.00 0.00 36.82 36.18 1au1 h ILE 44 CO 0.06 0.21 -2.43 0.29 -0.69 0.00 0.00 178.15 175.59 1au1 n LYS 45 N -3.78 0.66 -0.00 2.37 5.02 -1.07 -4.76 118.16 116.60 1au1 n LYS 45 Ca -0.02 0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.46 1au1 n LYS 45 Cb 0.32 -1.53 -0.08 0.00 -0.02 0.00 0.00 35.03 33.71 1au1 n LYS 45 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1au1 n GLN 46 N -3.17 1.57 -1.71 1.97 6.02 0.13 -4.98 117.38 117.20 1au1 n GLN 46 Ca -0.43 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.08 1au1 n GLN 46 Cb 1.02 -1.19 -0.03 0.00 1.02 0.00 0.00 30.24 31.07 1au1 n GLN 46 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1au1 s LEU 47 N -3.28 4.39 0.05 1.08 2.96 -0.27 -4.89 118.68 118.72 1au1 s LEU 47 Ca -0.01 2.83 0.19 0.00 -0.22 0.00 0.00 54.13 56.92 1au1 s LEU 47 Cb 0.08 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 43.04 1au1 s LEU 47 CO 0.50 -1.00 0.74 0.00 -1.32 0.00 0.00 176.35 175.27 1au1 n GLN 48 N 4.90 0.63 -3.70 1.98 1.13 -1.26 -4.81 117.38 116.26 1au1 n GLN 48 Ca 0.17 0.13 -0.38 0.00 -1.94 0.00 0.00 57.00 54.98 1au1 n GLN 48 Cb 0.37 -1.75 -0.10 0.00 0.11 0.00 0.00 30.24 28.87 1au1 n GLN 48 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1au1 s GLN 49 N -3.04 2.19 -0.15 -1.09 -1.52 -1.26 -5.05 119.66 109.74 1au1 s GLN 49 Ca -0.04 -1.78 0.02 0.00 -1.95 0.00 0.00 55.36 51.61 1au1 s GLN 49 Cb 0.09 -3.70 0.02 0.00 -0.22 0.00 0.00 33.01 29.20 1au1 s GLN 49 CO 0.82 -1.10 -0.19 -0.06 -0.25 0.00 0.00 175.29 174.51 1au1 s PHE 50 N 1.23 2.54 0.56 0.91 0.08 -1.26 -5.08 117.98 116.96 1au1 s PHE 50 Ca 0.07 -1.36 -0.15 0.00 0.12 0.00 0.00 56.93 55.61 1au1 s PHE 50 Cb -0.24 -1.76 -0.06 0.00 -0.57 0.00 0.00 43.02 40.39 1au1 s PHE 50 CO -0.03 -0.66 1.01 -0.65 -0.10 0.00 0.00 175.22 174.79 1au1 s GLN 51 N 1.07 3.72 0.26 0.44 -0.21 -1.26 -4.83 119.66 118.85 1au1 s GLN 51 Ca -0.02 0.93 -0.01 0.00 0.02 0.00 0.00 55.36 56.28 1au1 s GLN 51 Cb -0.14 -2.10 0.55 0.00 1.00 0.00 0.00 33.01 32.31 1au1 s GLN 51 CO -0.06 -0.46 1.73 1.57 -2.12 0.00 0.00 175.29 175.95 1au1 h LYS 52 N 0.42 0.48 -0.37 2.91 2.10 -1.93 -1.77 116.57 118.41 1au1 h LYS 52 Ca -0.46 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.06 1au1 h LYS 52 Cb 1.19 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1au1 h LYS 52 CO 0.61 0.32 -0.21 0.93 -2.00 0.00 0.00 179.45 179.10 1au1 h GLU 53 N 0.49 0.71 -0.06 0.07 3.07 -1.92 -2.19 114.58 114.76 1au1 h GLU 53 Ca 0.46 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1au1 h GLU 53 Cb 0.74 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1au1 h GLU 53 CO -0.42 0.86 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.54 1au1 h ASP 54 N 0.63 0.16 -0.28 1.42 5.19 -1.68 -0.40 116.42 121.46 1au1 h ASP 54 Ca 0.09 -0.52 0.06 0.00 -0.62 0.00 0.00 57.03 56.04 1au1 h ASP 54 Cb 0.69 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.10 1au1 h ASP 54 CO 0.05 0.65 -0.06 0.00 -3.12 0.00 0.00 179.24 176.76 1au1 h ALA 55 N 0.52 0.19 -0.14 3.45 0.00 -1.41 0.87 119.26 122.74 1au1 h ALA 55 Ca 0.01 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1au1 h ALA 55 Cb 0.61 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1au1 h ALA 55 CO 0.02 -0.46 -0.11 0.00 0.00 0.00 0.00 179.25 178.70 1au1 h ALA 56 N 1.28 0.00 0.00 0.00 0.00 -1.39 0.38 119.26 119.53 1au1 h ALA 56 Ca 0.13 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1au1 h ALA 56 Cb 0.20 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1au1 h ALA 56 CO -0.28 -0.55 -0.20 -0.07 0.00 0.00 0.00 179.25 178.15 1au1 h LEU 57 N -0.11 0.00 0.03 0.00 3.38 -0.65 -1.40 115.31 116.55 1au1 h LEU 57 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1au1 h LEU 57 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1au1 h LEU 57 CO -0.21 0.20 -0.01 0.74 0.09 0.00 0.00 178.44 179.24 1au1 h THR 58 N 0.00 1.34 -0.91 0.22 2.02 0.03 -2.62 112.91 112.99 1au1 h THR 58 Ca -0.00 -1.22 0.02 0.00 0.77 0.00 0.00 66.41 65.98 1au1 h THR 58 Cb 0.36 2.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.87 1au1 h THR 58 CO 0.03 0.31 0.60 0.40 0.37 0.00 0.00 175.52 177.22 1au1 h ILE 59 N -0.58 1.20 -0.68 3.11 2.04 -0.74 -0.85 117.51 121.01 1au1 h ILE 59 Ca -0.00 -0.41 0.08 0.00 1.00 0.00 0.00 64.86 65.53 1au1 h ILE 59 Cb 0.53 -0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1au1 h ILE 59 CO 0.01 0.22 0.33 0.22 0.00 0.00 0.00 178.15 178.93 1au1 h TYR 60 N 1.20 0.60 -0.05 1.37 3.20 -1.24 0.15 116.97 122.19 1au1 h TYR 60 Ca 0.35 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 62.02 1au1 h TYR 60 Cb -0.07 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.03 1au1 h TYR 60 CO -0.00 0.23 -0.88 1.49 -1.64 0.00 0.00 178.16 177.36 1au1 h GLU 61 N 0.58 0.53 0.06 1.82 4.81 -0.97 -1.98 114.58 119.43 1au1 h GLU 61 Ca 0.33 -0.50 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1au1 h GLU 61 Cb 0.32 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1au1 h GLU 61 CO -0.25 1.14 -0.03 0.52 -0.73 0.00 0.00 179.01 179.66 1au1 h MET 62 N 0.33 -0.07 -0.39 1.92 2.86 -0.59 -2.40 114.93 116.59 1au1 h MET 62 Ca -0.07 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1au1 h MET 62 Cb 1.50 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 33.13 1au1 h MET 62 CO 0.16 0.07 0.12 -0.07 1.06 0.00 0.00 176.91 178.24 1au1 h LEU 63 N -0.20 0.10 -0.73 1.22 3.38 -0.74 0.54 115.31 118.88 1au1 h LEU 63 Ca -0.01 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.16 1au1 h LEU 63 Cb 0.17 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 1au1 h LEU 63 CO 0.01 0.09 0.21 1.56 0.09 0.00 0.00 178.44 180.40 1au1 h GLN 64 N 0.26 0.31 -0.25 1.13 4.20 -1.26 -0.88 115.11 118.62 1au1 h GLN 64 Ca 0.18 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.70 1au1 h GLN 64 Cb 0.18 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1au1 h GLN 64 CO -0.20 0.21 -0.50 -0.91 -0.67 0.00 0.00 178.83 176.75 1au1 h ASN 65 N 0.32 0.88 -0.83 1.46 2.35 -0.76 -2.15 115.58 116.84 1au1 h ASN 65 Ca 0.40 -0.54 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1au1 h ASN 65 Cb 0.66 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 1au1 h ASN 65 CO -0.47 1.26 0.55 0.40 -1.65 0.00 0.00 177.43 177.52 1au1 h ILE 66 N 0.53 1.21 -0.06 2.81 2.04 -0.40 0.54 117.51 124.17 1au1 h ILE 66 Ca 0.01 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1au1 h ILE 66 Cb 1.11 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1au1 h ILE 66 CO 0.11 0.20 -0.01 0.15 0.00 0.00 0.00 178.15 178.60 1au1 h PHE 67 N 1.12 -0.02 -0.25 1.37 3.57 -0.96 -1.28 116.94 120.48 1au1 h PHE 67 Ca 0.31 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1au1 h PHE 67 Cb -0.11 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1au1 h PHE 67 CO -0.00 -0.02 0.00 0.00 -2.23 0.00 0.00 178.31 176.06 1au1 h ALA 68 N 1.06 1.54 0.30 2.41 0.00 -0.76 -1.43 119.26 122.38 1au1 h ALA 68 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1au1 h ALA 68 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1au1 h ALA 68 CO -0.06 0.34 -0.14 0.82 0.00 0.00 0.00 179.25 180.21 1au1 h ILE 69 N 0.37 0.73 0.00 0.00 1.08 -0.36 -2.99 117.51 116.34 1au1 h ILE 69 Ca 0.08 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1au1 h ILE 69 Cb 0.24 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1au1 h ILE 69 CO 0.01 0.11 0.00 0.49 -0.69 0.00 0.00 178.15 178.06 1au1 n PHE 70 N -5.14 0.00 1.33 1.37 3.01 -0.53 -1.55 117.46 115.95 1au1 n PHE 70 Ca -0.10 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.51 1au1 n PHE 70 Cb 0.25 -0.31 0.72 0.00 -0.01 0.00 0.00 39.48 40.13 1au1 n PHE 70 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1au1 n ARG 71 N -1.31 0.35 -1.77 -1.08 0.63 -0.55 -4.85 116.66 108.06 1au1 n ARG 71 Ca 0.06 -0.01 -0.30 0.00 -0.92 0.00 0.00 57.85 56.68 1au1 n ARG 71 Cb 0.11 -1.50 0.17 0.00 0.45 0.00 0.00 32.46 31.69 1au1 n ARG 71 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1au1 s GLN 72 N -2.66 0.65 -0.47 -0.14 -1.52 -0.59 -4.96 119.66 109.96 1au1 s GLN 72 Ca 0.25 -0.21 -0.29 0.00 -1.95 0.00 0.00 55.36 53.17 1au1 s GLN 72 Cb 0.20 -1.83 0.02 0.00 -0.22 0.00 0.00 33.01 31.18 1au1 s GLN 72 CO 0.48 -2.44 1.30 0.34 -0.25 0.00 0.00 175.29 174.72 1au1 s ASP 73 N -4.62 6.42 0.00 5.90 -1.08 -1.26 -4.84 116.67 117.19 1au1 s ASP 73 Ca 0.71 0.57 0.20 0.00 -0.52 0.00 0.00 52.55 53.50 1au1 s ASP 73 Cb -0.07 -2.55 0.35 0.00 -1.46 0.00 0.00 42.92 39.19 1au1 s ASP 73 CO 0.53 -1.41 1.29 -1.20 0.52 0.00 0.00 175.17 174.90 1au1 n SER 74 N 8.55 3.16 -0.34 -0.34 7.64 -1.26 -4.64 113.62 126.39 1au1 n SER 74 Ca 0.14 -1.92 0.22 0.00 1.01 0.00 0.00 58.87 58.32 1au1 n SER 74 Cb 0.49 -0.20 0.48 0.00 -1.01 0.00 0.00 64.21 63.97 1au1 n SER 74 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1au1 h SER 75 N 3.83 0.50 0.15 6.43 4.64 -1.90 0.41 113.55 127.60 1au1 h SER 75 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1au1 h SER 75 Cb 0.88 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1au1 h SER 75 CO 0.00 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 174.49 1au1 n SER 76 N -4.71 0.31 0.08 4.97 3.41 -1.26 -2.14 113.62 114.28 1au1 n SER 76 Ca 0.27 0.63 -0.16 0.00 -0.26 0.00 0.00 58.87 59.34 1au1 n SER 76 Cb 0.88 -0.67 -0.14 0.00 -0.26 0.00 0.00 64.21 64.01 1au1 n SER 76 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1au1 h THR 77 N 0.00 1.32 0.00 6.66 1.35 -1.21 -3.37 112.91 117.66 1au1 h THR 77 Ca 0.00 -2.93 0.00 0.00 -0.55 0.00 0.00 66.41 62.93 1au1 h THR 77 Cb 0.07 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1au1 h THR 77 CO 0.00 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1au1 n GLY 78 N 1.60 0.60 3.74 5.82 0.00 -0.91 -5.01 105.19 111.03 1au1 n GLY 78 Ca -0.12 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 2.25 -0.42 1.61 0.51 -1.26 -4.86 118.94 114.77 1au1 s TRP 79 Ca 0.00 1.48 -0.28 0.00 -2.12 0.00 0.00 56.10 55.19 1au1 s TRP 79 Cb 0.00 -3.61 -0.02 0.00 -0.81 0.00 0.00 33.47 29.03 1au1 s TRP 79 CO 0.00 -2.59 1.84 1.21 -0.51 0.00 0.00 176.95 176.89 1au1 s ASN 80 N -1.42 5.66 0.58 2.95 3.84 -1.26 -4.82 114.94 120.46 1au1 s ASN 80 Ca 0.79 1.01 0.38 0.00 0.21 0.00 0.00 52.86 55.25 1au1 s ASN 80 Cb -0.35 -2.53 2.08 0.00 -0.55 0.00 0.00 41.25 39.91 1au1 s ASN 80 CO 0.38 -1.95 2.17 -0.33 -2.79 0.00 0.00 177.10 174.58 1au1 h GLU 81 N 13.73 0.00 -0.15 0.43 4.39 -2.00 -1.77 114.58 129.22 1au1 h GLU 81 Ca -0.31 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 1au1 h GLU 81 Cb 1.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1au1 h GLU 81 CO 1.09 0.00 -0.01 1.15 -1.16 0.00 0.00 179.01 180.08 1au1 h THR 82 N 0.00 1.26 -0.70 1.13 2.02 -2.00 -1.16 112.91 113.47 1au1 h THR 82 Ca 0.00 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1au1 h THR 82 Cb 0.02 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1au1 h THR 82 CO 0.00 0.26 0.43 0.40 0.37 0.00 0.00 175.52 176.98 1au1 h ILE 83 N 0.00 1.20 -0.77 3.11 2.04 -1.72 -1.04 117.51 120.33 1au1 h ILE 83 Ca 0.04 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1au1 h ILE 83 Cb 0.40 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1au1 h ILE 83 CO 0.01 0.20 0.32 0.58 0.00 0.00 0.00 178.15 179.26 1au1 h VAL 84 N 0.97 1.25 -0.58 1.67 2.07 -1.32 0.14 116.25 120.45 1au1 h VAL 84 Ca 0.25 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1au1 h VAL 84 Cb -0.05 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1au1 h VAL 84 CO -0.05 0.32 0.11 -0.33 0.02 0.00 0.00 177.57 177.64 1au1 h GLU 85 N 1.10 0.92 -0.35 1.57 4.39 -0.00 -0.70 114.58 121.52 1au1 h GLU 85 Ca 0.26 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1au1 h GLU 85 Cb 0.19 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1au1 h GLU 85 CO -0.02 0.85 0.10 -0.91 -1.16 0.00 0.00 179.01 177.87 1au1 h ASN 86 N 0.88 0.51 -0.80 1.42 2.35 -0.72 0.14 115.58 119.37 1au1 h ASN 86 Ca 0.18 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1au1 h ASN 86 Cb 0.37 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 1au1 h ASN 86 CO 0.01 0.59 0.51 0.25 -1.65 0.00 0.00 177.43 177.14 1au1 h LEU 87 N 0.41 0.85 -0.24 1.61 5.85 -0.40 -0.10 115.31 123.29 1au1 h LEU 87 Ca 0.11 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1au1 h LEU 87 Cb 0.26 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1au1 h LEU 87 CO -0.00 0.59 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.48 1au1 h LEU 88 N 1.01 0.54 -0.55 2.25 3.38 -0.81 -2.02 115.31 119.10 1au1 h LEU 88 Ca 0.31 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1au1 h LEU 88 Cb -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1au1 h LEU 88 CO -0.10 0.85 0.29 0.00 0.09 0.00 0.00 178.44 179.57 1au1 h ALA 89 N 0.71 0.70 0.43 1.53 0.00 -0.52 0.35 119.26 122.46 1au1 h ALA 89 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1au1 h ALA 89 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1au1 h ALA 89 CO 0.04 0.22 -0.28 -0.97 0.00 0.00 0.00 179.25 178.26 1au1 h ASN 90 N 0.73 -0.71 -0.70 0.00 -1.24 -0.97 -0.97 115.58 111.72 1au1 h ASN 90 Ca 0.19 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.27 1au1 h ASN 90 Cb 0.06 0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.28 1au1 h ASN 90 CO -0.03 -0.44 0.44 0.58 -1.29 0.00 0.00 177.43 176.69 1au1 h VAL 91 N -0.69 1.11 -0.79 2.57 2.07 -1.21 -1.95 116.25 117.37 1au1 h VAL 91 Ca -0.05 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1au1 h VAL 91 Cb 0.57 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1au1 h VAL 91 CO 0.04 0.16 0.47 0.22 0.02 0.00 0.00 177.57 178.47 1au1 h TYR 92 N 0.87 0.86 -0.48 1.57 3.20 -0.66 0.66 116.97 122.99 1au1 h TYR 92 Ca 0.28 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 1au1 h TYR 92 Cb 0.00 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1au1 h TYR 92 CO -0.04 0.41 0.08 1.25 -1.64 0.00 0.00 178.16 178.23 1au1 h HIS 93 N 0.84 0.84 -0.33 -3.82 2.76 -0.49 -1.06 115.15 113.88 1au1 h HIS 93 Ca 0.35 -0.11 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 1au1 h HIS 93 Cb 0.21 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1au1 h HIS 93 CO -0.05 0.77 0.18 1.96 -1.30 0.00 0.00 177.93 179.49 1au1 h GLN 94 N 0.66 0.36 0.21 5.26 4.20 -0.62 -0.17 115.11 125.02 1au1 h GLN 94 Ca 0.15 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1au1 h GLN 94 Cb 0.38 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1au1 h GLN 94 CO 0.01 0.24 -0.25 0.82 -0.67 0.00 0.00 178.83 178.98 1au1 h ILE 95 N 0.37 0.46 0.00 2.54 2.04 -0.63 0.75 117.51 123.05 1au1 h ILE 95 Ca 0.13 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 1au1 h ILE 95 Cb 0.02 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1au1 h ILE 95 CO -0.08 0.00 -0.18 0.78 0.00 0.00 0.00 178.15 178.68 1au1 h ASN 96 N -0.51 0.00 -0.12 1.72 2.35 -1.06 0.30 115.58 118.26 1au1 h ASN 96 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1au1 h ASN 96 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1au1 h ASN 96 CO -0.08 0.18 -0.20 -0.74 -1.65 0.00 0.00 177.43 174.94 1au1 h HIS 97 N 0.00 0.43 -0.38 1.19 2.76 -0.60 -2.25 115.15 116.30 1au1 h HIS 97 Ca -0.00 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 57.97 1au1 h HIS 97 Cb 0.45 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1au1 h HIS 97 CO 0.00 0.81 0.04 -0.07 -1.30 0.00 0.00 177.93 177.41 1au1 h LEU 98 N -0.08 0.63 -0.10 0.26 3.38 -0.55 -2.93 115.31 115.93 1au1 h LEU 98 Ca 0.01 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1au1 h LEU 98 Cb 0.77 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1au1 h LEU 98 CO 0.05 0.75 -0.23 0.50 0.09 0.00 0.00 178.44 179.60 1au1 h LYS 99 N 0.49 -0.29 -0.68 1.13 3.64 -0.88 -0.55 116.57 119.42 1au1 h LYS 99 Ca 0.11 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1au1 h LYS 99 Cb 0.41 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1au1 h LYS 99 CO 0.01 -0.20 0.44 1.79 -2.27 0.00 0.00 179.45 179.22 1au1 h THR 100 N -0.31 1.14 -0.50 1.00 1.35 -1.40 -0.72 112.91 113.46 1au1 h THR 100 Ca 0.09 -0.30 -0.08 0.00 -0.55 0.00 0.00 66.41 65.57 1au1 h THR 100 Cb 0.44 0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 1au1 h THR 100 CO -0.28 0.16 -0.02 0.58 -0.25 0.00 0.00 175.52 175.71 1au1 h VAL 101 N 0.88 1.25 -0.39 6.82 2.07 -1.26 -2.41 116.25 123.20 1au1 h VAL 101 Ca 0.26 -1.08 -0.14 0.00 0.82 0.00 0.00 66.70 66.56 1au1 h VAL 101 Cb -0.05 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1au1 h VAL 101 CO -0.08 0.38 -0.32 -0.07 0.02 0.00 0.00 177.57 177.51 1au1 h LEU 102 N 0.79 0.91 -0.72 2.57 3.38 -0.78 -2.22 115.31 119.24 1au1 h LEU 102 Ca 0.15 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1au1 h LEU 102 Cb 0.51 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1au1 h LEU 102 CO 0.03 1.14 0.40 -0.33 0.09 0.00 0.00 178.44 179.77 1au1 h GLU 103 N 0.73 0.69 0.37 1.13 5.08 -0.72 0.92 114.58 122.78 1au1 h GLU 103 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1au1 h GLU 103 Cb 0.88 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1au1 h GLU 103 CO 0.08 0.46 -0.18 0.93 -1.00 0.00 0.00 179.01 179.30 1au1 h GLU 104 N 0.71 -0.48 0.32 2.33 5.08 -1.34 -2.46 114.58 118.75 1au1 h GLU 104 Ca 0.34 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1au1 h GLU 104 Cb 0.26 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1au1 h GLU 104 CO -0.21 -0.16 -0.47 0.87 -1.00 0.00 0.00 179.01 178.03 1au1 h LYS 105 N -0.90 -0.81 0.00 2.33 1.79 -1.21 -3.02 116.57 114.74 1au1 h LYS 105 Ca -0.05 0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1au1 h LYS 105 Cb 0.54 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1au1 h LYS 105 CO 0.08 -0.54 -0.05 -0.07 -1.08 0.00 0.00 179.45 177.79 1au1 h LEU 106 N -0.84 0.00 -0.92 2.94 3.38 -0.93 -3.36 115.31 115.58 1au1 h LEU 106 Ca -0.03 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.13 1au1 h LEU 106 Cb 0.78 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.36 1au1 h LEU 106 CO -0.15 0.05 -0.23 1.21 0.09 0.00 0.00 178.44 179.41 1au1 n GLU 107 N -3.36 -0.09 -0.40 1.13 2.13 -0.93 -1.73 120.64 117.41 1au1 n GLU 107 Ca -0.02 1.43 0.08 0.00 0.66 0.00 0.00 57.16 59.31 1au1 n GLU 107 Cb 0.20 -2.13 0.26 0.00 0.27 0.00 0.00 31.44 30.03 1au1 n GLU 107 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1au1 n LYS 108 N -5.49 3.16 -3.18 5.31 4.76 -1.26 -5.01 118.16 116.45 1au1 n LYS 108 Ca 0.15 -2.55 -0.30 0.00 -2.87 0.00 0.00 58.31 52.74 1au1 n LYS 108 Cb 0.46 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 1au1 n LYS 108 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1au1 s GLU 109 N -1.69 3.70 -0.79 1.97 2.02 -0.70 -4.95 118.70 118.26 1au1 s GLU 109 Ca 0.39 0.20 -0.25 0.00 0.02 0.00 0.00 54.97 55.32 1au1 s GLU 109 Cb 0.25 -2.56 -0.08 0.00 0.10 0.00 0.00 34.13 31.84 1au1 s GLU 109 CO 0.18 0.14 2.15 -0.51 0.02 0.00 0.00 175.26 177.25 1au1 s ASP 110 N -3.07 4.62 1.12 -0.19 1.11 -1.26 -4.60 116.67 114.40 1au1 s ASP 110 Ca 0.47 -0.13 0.00 0.00 0.18 0.00 0.00 52.55 53.07 1au1 s ASP 110 Cb -0.11 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1au1 s ASP 110 CO 0.29 -3.14 0.00 0.33 1.18 0.00 0.00 175.17 173.83 1au1 n PHE 111 N 15.77 0.00 0.00 4.23 7.35 -1.26 -4.31 117.46 139.24 1au1 n PHE 111 Ca 0.40 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1au1 n PHE 111 Cb 0.47 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.30 1au1 n PHE 111 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1au1 n THR 112 N 0.00 0.00 -4.19 -2.13 -1.04 -1.26 -4.93 114.28 100.73 1au1 n THR 112 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1au1 n THR 112 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 1au1 n THR 112 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1au1 n ARG 113 N 0.00 -0.82 0.00 -2.82 0.63 -1.26 -4.78 116.66 107.61 1au1 n ARG 113 Ca 0.00 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1au1 n ARG 113 Cb 0.00 -3.84 0.00 0.00 0.45 0.00 0.00 32.46 29.07 1au1 n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1au1 n GLY 114 N -1.54 0.00 3.31 5.14 0.00 -1.26 -3.97 105.19 106.87 1au1 n GLY 114 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1au1 n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1au1 n LYS 115 N 0.00 1.24 0.06 1.61 4.81 -1.26 -4.53 118.16 120.08 1au1 n LYS 115 Ca 0.00 -1.88 -0.09 0.00 -0.87 0.00 0.00 58.31 55.47 1au1 n LYS 115 Cb 0.00 -3.12 -0.13 0.00 0.02 0.00 0.00 35.03 31.80 1au1 n LYS 115 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1au1 h LEU 116 N 15.89 0.07 0.09 3.14 6.46 -1.94 -3.33 115.31 135.69 1au1 h LEU 116 Ca 0.32 -0.08 -0.29 0.00 -0.12 0.00 0.00 57.88 57.72 1au1 h LEU 116 Cb 0.76 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 1au1 h LEU 116 CO 1.74 1.06 -1.54 -0.03 -0.62 0.00 0.00 178.44 179.05 1au1 h MET 117 N 0.01 0.18 0.00 1.25 4.05 -1.93 -3.46 114.93 115.04 1au1 h MET 117 Ca -0.07 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.04 1au1 h MET 117 Cb 1.83 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.75 1au1 h MET 117 CO 0.13 1.15 0.00 0.43 0.23 0.00 0.00 176.91 178.85 1au1 n SER 118 N -3.93 0.00 0.00 1.39 7.64 -1.25 -4.57 113.62 112.89 1au1 n SER 118 Ca -0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1au1 n SER 118 Cb 0.88 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 1au1 n SER 118 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1au1 n SER 119 N 0.00 0.00 0.00 6.43 7.64 -1.25 -2.99 113.62 123.45 1au1 n SER 119 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1au1 n SER 119 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1au1 n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1au1 n LEU 120 N 0.00 0.00 0.17 -3.43 -0.00 -1.26 -1.47 117.00 111.00 1au1 n LEU 120 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 1au1 n LEU 120 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.50 1au1 n LEU 120 CO 0.00 0.00 0.56 0.45 -0.00 0.00 0.00 177.39 178.40 1au1 h HIS 121 N 0.00 0.00 -0.46 1.47 3.86 -1.78 -3.31 115.15 114.93 1au1 h HIS 121 Ca 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1au1 h HIS 121 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1au1 h HIS 121 CO 0.00 0.30 -0.24 -0.07 0.86 0.00 0.00 177.93 178.78 1au1 h LEU 122 N 0.00 1.00 -0.29 2.43 3.38 -1.36 -0.96 115.31 119.50 1au1 h LEU 122 Ca -0.01 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1au1 h LEU 122 Cb 1.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1au1 h LEU 122 CO 0.04 1.18 0.15 0.11 0.09 0.00 0.00 178.44 180.01 1au1 h LYS 123 N 0.83 0.31 -0.28 1.13 1.79 -1.35 -1.55 116.57 117.46 1au1 h LYS 123 Ca 0.10 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.49 1au1 h LYS 123 Cb 0.82 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1au1 h LYS 123 CO 0.07 0.20 -0.08 0.00 -1.08 0.00 0.00 179.45 178.56 1au1 h ARG 124 N 0.32 0.55 -0.50 3.15 3.08 -1.66 -1.90 114.38 117.41 1au1 h ARG 124 Ca 0.12 -0.22 0.10 0.00 0.07 0.00 0.00 59.98 60.05 1au1 h ARG 124 Cb 0.03 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1au1 h ARG 124 CO -0.08 0.76 0.01 -0.92 -1.07 0.00 0.00 179.97 178.68 1au1 h TYR 125 N 0.30 -0.00 0.00 3.04 3.20 -0.89 -0.59 116.97 122.02 1au1 h TYR 125 Ca 0.07 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1au1 h TYR 125 Cb 0.57 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1au1 h TYR 125 CO 0.05 -0.10 -0.33 1.88 -1.64 0.00 0.00 178.16 178.03 1au1 h TYR 126 N 0.13 0.00 -0.61 -3.82 0.05 -1.20 -2.60 116.97 108.92 1au1 h TYR 126 Ca 0.25 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.99 1au1 h TYR 126 Cb 0.38 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1au1 h TYR 126 CO -0.30 0.33 0.19 0.78 -1.05 0.00 0.00 178.16 178.11 1au1 h GLY 127 N 2.08 0.98 0.94 3.88 0.00 -0.28 -1.37 103.07 109.29 1au1 h GLY 127 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1au1 h GLY 127 CO 0.04 0.51 0.12 3.21 0.00 0.00 0.00 176.54 180.43 1au1 h ARG 128 N 0.89 0.34 -0.23 4.80 3.08 -1.02 0.31 114.38 122.55 1au1 h ARG 128 Ca 0.20 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.24 1au1 h ARG 128 Cb 0.25 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1au1 h ARG 128 CO -0.01 0.32 0.00 0.82 -1.07 0.00 0.00 179.97 180.03 1au1 h ILE 129 N 0.27 0.85 -0.09 2.04 2.04 -1.39 0.29 117.51 121.51 1au1 h ILE 129 Ca 0.08 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1au1 h ILE 129 Cb 0.08 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1au1 h ILE 129 CO -0.01 0.01 0.04 -0.07 0.00 0.00 0.00 178.15 178.12 1au1 h LEU 130 N 0.08 0.12 -0.87 1.44 3.38 -1.04 -0.94 115.31 117.48 1au1 h LEU 130 Ca 0.11 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1au1 h LEU 130 Cb 0.13 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 1au1 h LEU 130 CO -0.18 0.23 0.55 -0.74 0.09 0.00 0.00 178.44 178.39 1au1 h HIS 131 N 0.01 1.02 -0.42 1.13 2.76 -0.17 -0.45 115.15 119.02 1au1 h HIS 131 Ca 0.03 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1au1 h HIS 131 Cb 0.14 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 1au1 h HIS 131 CO -0.03 0.53 0.27 -0.92 -1.30 0.00 0.00 177.93 176.48 1au1 h TYR 132 N 1.01 0.51 -0.11 5.26 5.03 0.06 0.86 116.97 129.58 1au1 h TYR 132 Ca 0.37 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.70 1au1 h TYR 132 Cb 0.13 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 1au1 h TYR 132 CO -0.03 0.31 0.04 -0.07 -1.32 0.00 0.00 178.16 177.10 1au1 h LEU 133 N 0.55 0.06 -0.29 2.82 3.38 -0.19 -1.43 115.31 120.21 1au1 h LEU 133 Ca 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1au1 h LEU 133 Cb -0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1au1 h LEU 133 CO -0.05 0.05 0.13 0.50 0.09 0.00 0.00 178.44 179.17 1au1 h LYS 134 N 0.10 0.42 -0.60 1.13 3.64 -0.88 -0.96 116.57 119.42 1au1 h LYS 134 Ca 0.04 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1au1 h LYS 134 Cb 0.01 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1au1 h LYS 134 CO -0.04 0.41 0.40 0.00 -2.27 0.00 0.00 179.45 177.96 1au1 h ALA 135 N 0.99 1.63 -0.31 5.00 0.00 -0.66 0.29 119.26 126.19 1au1 h ALA 135 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1au1 h ALA 135 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1au1 h ALA 135 CO -0.01 0.32 0.00 1.63 0.00 0.00 0.00 179.25 181.19 1au1 n LYS 136 N -4.46 1.95 -3.92 0.00 4.76 -0.55 -4.92 118.16 111.03 1au1 n LYS 136 Ca 0.07 -1.21 -0.31 0.00 -2.87 0.00 0.00 58.31 53.99 1au1 n LYS 136 Cb 0.09 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 0.41 -4.42 -4.02 1.97 1.02 0.09 -2.19 120.64 113.50 1au1 n GLU 137 Ca 0.11 0.51 -0.32 0.00 -0.02 0.00 0.00 57.16 57.44 1au1 n GLU 137 Cb 0.35 -5.33 0.01 0.00 -0.02 0.00 0.00 31.44 26.46 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 -4.47 -2.11 -1.07 -0.32 4.02 -0.41 -4.93 117.16 107.88 1au1 n TYR 138 Ca 0.05 0.87 -0.30 0.00 -0.01 0.00 0.00 57.90 58.50 1au1 n TYR 138 Cb 0.52 -3.61 0.14 0.00 -0.02 0.00 0.00 39.34 36.37 1au1 n TYR 138 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1au1 s SER 139 N -3.28 3.35 0.25 7.72 1.04 -0.93 -4.55 113.70 117.31 1au1 s SER 139 Ca 0.70 1.68 -0.04 0.00 0.48 0.00 0.00 55.95 58.76 1au1 s SER 139 Cb -0.36 -2.33 0.33 0.00 0.10 0.00 0.00 66.02 63.77 1au1 s SER 139 CO 0.86 -2.74 1.90 -0.74 0.98 0.00 0.00 173.24 173.49 1au1 h HIS 140 N -1.62 1.19 -0.36 5.02 2.76 -1.92 -1.59 115.15 118.63 1au1 h HIS 140 Ca -0.48 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 57.58 1au1 h HIS 140 Cb 1.27 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 1au1 h HIS 140 CO 0.46 0.67 -0.34 0.00 -1.30 0.00 0.00 177.93 177.42 1au1 h ALA 142 N 0.94 1.34 0.00 0.00 0.00 -1.76 -1.43 119.26 118.34 1au1 h ALA 142 Ca 0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1au1 h ALA 142 Cb 0.89 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1au1 h ALA 142 CO 0.08 0.54 -0.57 -1.49 0.00 0.00 0.00 179.25 177.81 1au1 h TRP 143 N 0.99 0.00 -0.30 0.00 4.06 -0.84 -1.53 115.95 118.33 1au1 h TRP 143 Ca 0.25 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.15 1au1 h TRP 143 Cb 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.19 1au1 h TRP 143 CO 0.01 0.57 -0.02 1.15 -3.56 0.00 0.00 178.44 176.59 1au1 h THR 144 N 0.00 1.26 -0.55 1.49 2.02 -0.64 -0.73 112.91 115.77 1au1 h THR 144 Ca -0.01 -0.98 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 1au1 h THR 144 Cb 1.04 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 1au1 h THR 144 CO 0.07 0.32 -0.10 0.40 0.37 0.00 0.00 175.52 176.58 1au1 h ILE 145 N 0.33 1.27 -0.24 3.11 1.08 -1.03 -2.19 117.51 119.84 1au1 h ILE 145 Ca 0.08 -1.26 -0.07 0.00 -0.39 0.00 0.00 64.86 63.23 1au1 h ILE 145 Cb 0.47 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1au1 h ILE 145 CO 0.02 0.45 -0.12 0.58 -0.69 0.00 0.00 178.15 178.39 1au1 h VAL 146 N 0.92 1.30 -0.67 1.67 2.07 -1.24 -2.44 116.25 117.86 1au1 h VAL 146 Ca 0.14 -1.19 0.10 0.00 0.82 0.00 0.00 66.70 66.57 1au1 h VAL 146 Cb 0.66 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 1au1 h VAL 146 CO 0.05 0.37 0.30 -0.09 0.02 0.00 0.00 177.57 178.21 1au1 h ARG 147 N 0.23 0.49 -0.75 1.57 2.43 -0.97 0.55 114.38 117.93 1au1 h ARG 147 Ca 0.05 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1au1 h ARG 147 Cb 0.62 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1au1 h ARG 147 CO 0.04 0.33 0.32 0.28 -1.51 0.00 0.00 179.97 179.42 1au1 h VAL 148 N 0.51 1.25 -0.26 0.20 2.07 -1.33 -0.53 116.25 118.16 1au1 h VAL 148 Ca 0.34 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.98 1au1 h VAL 148 Cb 0.39 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1au1 h VAL 148 CO -0.29 0.31 -0.34 -0.08 0.02 0.00 0.00 177.57 177.19 1au1 h GLU 149 N 1.08 0.56 -0.54 1.57 4.57 -0.07 -1.78 114.58 119.97 1au1 h GLU 149 Ca 0.25 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1au1 h GLU 149 Cb 0.18 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1au1 h GLU 149 CO -0.02 0.83 0.05 0.82 -1.18 0.00 0.00 179.01 179.50 1au1 h ILE 150 N 0.47 1.26 -0.79 2.32 1.08 0.35 -0.56 117.51 121.64 1au1 h ILE 150 Ca 0.05 -1.03 0.01 0.00 -0.39 0.00 0.00 64.86 63.50 1au1 h ILE 150 Cb 0.82 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 1au1 h ILE 150 CO 0.07 0.37 0.53 -0.07 -0.69 0.00 0.00 178.15 178.35 1au1 h LEU 151 N 0.81 0.91 -1.12 1.44 3.38 -0.79 0.01 115.31 119.96 1au1 h LEU 151 Ca 0.16 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1au1 h LEU 151 Cb 0.47 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1au1 h LEU 151 CO 0.02 0.66 0.29 -0.09 0.09 0.00 0.00 178.44 179.41 1au1 h ARG 152 N 1.08 0.91 -0.34 1.13 2.43 -0.50 0.46 114.38 119.55 1au1 h ARG 152 Ca 0.29 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1au1 h ARG 152 Cb -0.13 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.24 1au1 h ARG 152 CO -0.06 0.72 0.18 -0.91 -1.51 0.00 0.00 179.97 178.39 1au1 h ASN 153 N 0.90 0.43 -0.59 -3.80 2.35 0.51 -2.02 115.58 113.36 1au1 h ASN 153 Ca 0.22 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1au1 h ASN 153 Cb 0.12 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1au1 h ASN 153 CO -0.03 0.40 0.30 -0.26 -1.65 0.00 0.00 177.43 176.20 1au1 h PHE 154 N 0.42 0.86 -0.67 1.19 0.04 -0.27 0.11 116.94 118.62 1au1 h PHE 154 Ca 0.12 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.91 1au1 h PHE 154 Cb 0.07 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 37.91 1au1 h PHE 154 CO -0.03 0.63 0.44 -0.92 -0.60 0.00 0.00 178.31 177.83 1au1 h TYR 155 N 0.87 0.73 0.04 -0.55 3.20 -0.21 -1.92 116.97 119.13 1au1 h TYR 155 Ca 0.22 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.84 1au1 h TYR 155 Cb 0.08 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 1au1 h TYR 155 CO 0.01 0.41 -1.35 0.74 -1.64 0.00 0.00 178.16 176.33 1au1 h PHE 156 N 0.74 0.15 -0.67 -3.82 0.04 -1.01 -3.19 116.94 109.18 1au1 h PHE 156 Ca 0.28 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 1au1 h PHE 156 Cb 0.16 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1au1 h PHE 156 CO -0.00 1.12 0.40 0.82 -0.60 0.00 0.00 178.31 180.05 1au1 h ILE 157 N 0.02 1.19 -0.58 -0.55 2.04 -0.67 0.63 117.51 119.60 1au1 h ILE 157 Ca -0.15 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 1au1 h ILE 157 Cb 1.91 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1au1 h ILE 157 CO 0.13 0.20 0.21 0.78 0.00 0.00 0.00 178.15 179.47 1au1 h ASN 158 N 0.93 0.78 -0.27 1.72 2.35 -1.39 0.31 115.58 120.01 1au1 h ASN 158 Ca 0.24 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1au1 h ASN 158 Cb -0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1au1 h ASN 158 CO -0.05 0.71 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.35 1au1 h ARG 159 N 0.83 0.48 0.00 0.81 2.43 -1.26 -2.57 114.38 115.09 1au1 h ARG 159 Ca 0.19 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1au1 h ARG 159 Cb 0.19 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1au1 h ARG 159 CO -0.01 0.64 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.83 1au1 h LEU 160 N 0.26 0.00 -1.93 3.80 3.38 -0.03 -2.60 115.31 118.18 1au1 h LEU 160 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1au1 h LEU 160 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1au1 h LEU 160 CO 0.01 0.18 -0.09 0.74 0.09 0.00 0.00 178.44 179.37 1au1 h THR 161 N 0.00 0.88 0.00 0.22 2.02 0.01 -2.64 112.91 113.40 1au1 h THR 161 Ca -0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1au1 h THR 161 Cb 0.35 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1au1 h THR 161 CO 0.02 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.62 1au1 n GLY 162 N -1.13 -0.74 0.89 2.16 0.00 -0.98 -1.96 105.19 103.43 1au1 n GLY 162 Ca -0.03 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.86 0.00 -2.26 1.61 4.01 -1.00 -4.53 117.16 114.14 1au1 n TYR 163 Ca 0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.46 1au1 n TYR 163 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 1.21 7.69 -4.50 7.72 4.77 -0.83 -4.15 117.00 128.92 1au1 n LEU 164 Ca 0.13 -5.05 -0.34 0.00 -0.03 0.00 0.00 56.01 50.73 1au1 n LEU 164 Cb 0.57 -1.30 -0.12 0.00 -2.33 0.00 0.00 43.42 40.23 1au1 n LEU 164 CO 0.15 2.00 -0.36 -0.13 -1.33 0.00 0.00 177.39 177.72 1au1 s ARG 165 N -2.14 3.54 0.00 3.23 0.52 -1.26 -3.73 118.95 119.10 1au1 s ARG 165 Ca 0.48 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 1au1 s ARG 165 Cb 0.18 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.80 1au1 s ARG 165 CO -0.09 0.29 0.19 -1.71 0.02 0.00 0.00 175.30 174.00