#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqz n PHE 1 N 0.00 1.38 -2.71 -1.40 7.35 -1.26 -5.01 117.46 115.81 2aqz n PHE 1 Ca 0.00 -1.79 -0.43 0.00 -0.76 0.00 0.00 57.45 54.47 2aqz n PHE 1 Cb 0.00 -0.27 -0.03 0.00 0.35 0.00 0.00 39.48 39.53 2aqz n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2aqz s ASN 2 N -3.34 7.06 0.06 -2.13 0.01 -1.26 -5.02 114.94 110.32 2aqz s ASN 2 Ca 0.41 1.33 0.03 0.00 -0.71 0.00 0.00 52.86 53.91 2aqz s ASN 2 Cb 0.38 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 2aqz s ASN 2 CO -0.03 -0.61 0.04 -0.76 -1.51 0.00 0.00 177.10 174.23 2aqz s LEU 3 N 2.97 3.64 0.48 0.60 1.43 -1.26 -1.19 118.68 125.35 2aqz s LEU 3 Ca 0.43 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.31 2aqz s LEU 3 Cb -0.15 -2.27 -0.08 0.00 0.03 0.00 0.00 46.19 43.72 2aqz s LEU 3 CO 0.08 0.21 0.95 -2.16 0.23 0.00 0.00 176.35 175.65 2aqz s PRO 4 N -2.11 3.98 0.80 1.29 0.04 -1.26 -4.61 135.00 133.13 2aqz s PRO 4 Ca 0.25 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 2aqz s PRO 4 Cb -0.12 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.31 2aqz s PRO 4 CO 0.17 -0.19 1.10 -1.25 0.04 0.00 0.00 177.00 176.87 2aqz s PRO 5 N -3.87 2.08 0.00 0.56 0.04 -1.26 -4.99 135.00 127.56 2aqz s PRO 5 Ca 0.58 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2aqz s PRO 5 Cb -0.10 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2aqz s PRO 5 CO 0.28 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 176.11 2aqz n GLY 6 N -2.14 2.93 3.48 0.56 0.00 -1.26 -5.12 105.19 103.64 2aqz n GLY 6 Ca 0.07 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 2aqz n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aqz n ASN 7 N 0.00 2.90 -0.69 1.61 0.23 -1.26 -5.05 115.26 113.00 2aqz n ASN 7 Ca 0.00 -2.88 0.06 0.00 -0.53 0.00 0.00 54.58 51.23 2aqz n ASN 7 Cb 0.00 0.11 0.18 0.00 -2.08 0.00 0.00 39.78 37.99 2aqz n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2aqz n TYR 8 N -1.50 0.58 0.25 -2.53 4.01 -1.26 -4.64 117.16 112.08 2aqz n TYR 8 Ca -0.09 -0.61 0.08 0.00 -0.16 0.00 0.00 57.90 57.12 2aqz n TYR 8 Cb 0.59 -0.11 0.63 0.00 -0.31 0.00 0.00 39.34 40.13 2aqz n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2aqz h LYS 9 N 1.87 0.00 -5.42 -0.72 1.57 -1.97 -3.45 116.57 108.46 2aqz h LYS 9 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 2aqz h LYS 9 Cb 0.93 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.08 2aqz h LYS 9 CO 0.07 0.10 -0.74 0.15 -0.57 0.00 0.00 179.45 178.45 2aqz s LYS 10 N -4.68 1.13 0.82 3.15 1.02 -1.26 -5.14 119.74 114.77 2aqz s LYS 10 Ca -0.04 -1.39 -0.11 0.00 0.02 0.00 0.00 55.97 54.45 2aqz s LYS 10 Cb 0.16 -0.93 0.08 0.00 -0.52 0.00 0.00 37.83 36.62 2aqz s LYS 10 CO 0.65 0.16 1.09 -1.25 -0.92 0.00 0.00 175.35 175.08 2aqz s PRO 11 N -3.17 1.92 0.14 -1.68 0.04 -1.26 -4.72 135.00 126.27 2aqz s PRO 11 Ca 0.15 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.07 2aqz s PRO 11 Cb -0.02 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2aqz s PRO 11 CO 0.04 -1.80 0.10 0.15 0.04 0.00 0.00 177.00 175.52 2aqz s LYS 12 N -4.98 0.97 -0.13 4.56 -0.14 0.83 -4.04 119.74 116.82 2aqz s LYS 12 Ca 0.62 -1.40 -0.03 0.00 -1.36 0.00 0.00 55.97 53.79 2aqz s LYS 12 Cb -0.17 0.27 -0.03 0.00 -1.68 0.00 0.00 37.83 36.22 2aqz s LYS 12 CO 0.56 -0.29 -0.00 -0.51 -0.76 0.00 0.00 175.35 174.35 2aqz s LEU 13 N -3.04 3.52 -0.45 3.17 1.43 0.71 -1.01 118.68 123.01 2aqz s LEU 13 Ca 0.23 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 2aqz s LEU 13 Cb 0.07 -1.83 0.11 0.00 0.03 0.00 0.00 46.19 44.56 2aqz s LEU 13 CO 0.02 0.27 0.30 -0.76 0.23 0.00 0.00 176.35 176.41 2aqz s LEU 14 N -0.25 5.46 -0.24 1.79 1.43 -1.26 -0.48 118.68 125.13 2aqz s LEU 14 Ca 0.06 -1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 51.15 2aqz s LEU 14 Cb -0.12 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2aqz s LEU 14 CO 0.02 -0.62 0.61 -0.47 0.23 0.00 0.00 176.35 176.11 2aqz s TYR 15 N 1.35 3.30 0.22 0.29 5.04 -0.72 -1.26 117.35 125.58 2aqz s TYR 15 Ca 0.05 0.81 -0.26 0.00 -2.44 0.00 0.00 57.07 55.23 2aqz s TYR 15 Cb -0.25 -2.80 -0.09 0.00 0.35 0.00 0.00 41.96 39.17 2aqz s TYR 15 CO -0.00 -0.27 0.85 0.00 -1.34 0.00 0.00 175.55 174.78 2aqz n THR 17 N 1.27 1.08 1.76 0.00 -2.24 0.11 -1.23 114.28 115.02 2aqz n THR 17 Ca -0.03 0.51 0.11 0.00 -2.27 0.00 0.00 64.05 62.37 2aqz n THR 17 Cb 0.49 -1.48 0.63 0.00 -2.10 0.00 0.00 70.33 67.87 2aqz n THR 17 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2aqz n THR 18 N -2.12 0.00 0.00 4.28 -2.24 -1.26 -4.88 114.28 108.06 2aqz n THR 18 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2aqz n THR 18 Cb 0.10 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 2aqz n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aqz n GLY 20 N 0.67 0.88 3.17 3.38 0.00 -0.37 -4.49 105.19 108.43 2aqz n GLY 20 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 2aqz n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqz s HIS 21 N -2.00 1.12 0.11 1.61 3.76 -1.23 -4.60 115.29 114.06 2aqz s HIS 21 Ca 0.00 -0.55 -0.19 0.00 -0.15 0.00 0.00 55.06 54.17 2aqz s HIS 21 Cb 0.00 -0.62 -0.07 0.00 1.11 0.00 0.00 32.58 33.00 2aqz s HIS 21 CO 0.00 0.03 0.60 -0.06 -0.85 0.00 0.00 174.74 174.46 2aqz s PHE 22 N -1.83 3.76 0.14 1.40 0.08 0.10 -0.69 117.98 120.94 2aqz s PHE 22 Ca 0.01 1.28 -0.31 0.00 0.12 0.00 0.00 56.93 58.03 2aqz s PHE 22 Cb -0.07 -2.51 -0.08 0.00 -0.57 0.00 0.00 43.02 39.79 2aqz s PHE 22 CO 0.01 0.52 1.39 -1.17 -0.10 0.00 0.00 175.22 175.87 2aqz s LEU 23 N -1.38 4.38 -0.05 -0.37 2.96 -0.39 -1.62 118.68 122.23 2aqz s LEU 23 Ca 0.33 2.38 0.02 0.00 -0.22 0.00 0.00 54.13 56.64 2aqz s LEU 23 Cb -0.19 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.92 2aqz s LEU 23 CO 0.20 -0.64 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.89 2aqz s ARG 24 N 0.77 1.34 -0.31 1.98 3.52 0.55 -4.46 118.95 122.34 2aqz s ARG 24 Ca 0.63 -0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 55.85 2aqz s ARG 24 Cb -0.37 -1.17 0.04 0.00 -1.56 0.00 0.00 34.95 31.89 2aqz s ARG 24 CO 0.33 0.05 0.03 0.42 -0.81 0.00 0.00 175.30 175.32 2aqz s ILE 25 N 0.51 3.29 0.43 4.11 1.01 -0.95 -1.08 121.20 128.52 2aqz s ILE 25 Ca -0.10 -1.22 -0.14 0.00 0.00 0.00 0.00 60.65 59.19 2aqz s ILE 25 Cb -0.13 -2.85 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 2aqz s ILE 25 CO 0.02 -0.08 0.85 -0.76 0.00 0.00 0.00 174.94 174.97 2aqz s LEU 26 N 1.32 3.81 0.40 2.97 1.43 0.51 -4.81 118.68 124.31 2aqz s LEU 26 Ca -0.03 1.35 0.17 0.00 -1.03 0.00 0.00 54.13 54.59 2aqz s LEU 26 Cb -0.19 -4.23 1.06 0.00 0.03 0.00 0.00 46.19 42.86 2aqz s LEU 26 CO 0.00 -0.42 1.81 -0.65 0.23 0.00 0.00 176.35 177.32 2aqz h PRO 27 N 1.38 0.42 0.00 1.29 0.11 -1.99 -0.06 132.00 133.16 2aqz h PRO 27 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2aqz h PRO 27 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2aqz h PRO 27 CO 0.63 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 2aqz n ASP 28 N -4.58 0.00 0.00 -2.05 5.75 -1.26 -4.84 116.55 109.57 2aqz n ASP 28 Ca 0.22 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.54 2aqz n ASP 28 Cb 0.77 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 2aqz n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aqz n GLY 29 N 0.65 0.71 3.78 6.12 0.00 -0.04 -4.98 105.19 111.45 2aqz n GLY 29 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2aqz n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aqz s THR 30 N -2.60 3.68 -0.06 2.61 2.01 -1.24 -1.05 115.64 118.99 2aqz s THR 30 Ca 0.00 1.29 0.03 0.00 0.31 0.00 0.00 61.69 63.31 2aqz s THR 30 Cb 0.00 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.86 2aqz s THR 30 CO 0.00 0.00 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.11 2aqz s VAL 31 N -1.65 1.22 0.00 3.82 1.01 -1.26 -0.37 120.40 123.17 2aqz s VAL 31 Ca 0.58 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2aqz s VAL 31 Cb -0.22 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2aqz s VAL 31 CO 0.28 0.37 0.00 -0.90 0.00 0.00 0.00 175.10 174.85 2aqz n ASP 32 N 3.63 0.00 -4.14 3.32 5.75 -0.24 -4.54 116.55 120.33 2aqz n ASP 32 Ca -0.21 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.41 2aqz n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 2aqz n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2aqz s GLY 33 N 0.00 0.76 0.03 6.12 0.00 -0.05 -0.33 107.32 113.84 2aqz s GLY 33 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.73 2aqz s GLY 33 CO 0.00 -1.05 -0.05 -1.08 0.00 0.00 0.00 173.10 170.92 2aqz s THR 34 N -1.70 0.32 -1.20 0.90 -1.32 -0.64 -4.81 115.64 107.20 2aqz s THR 34 Ca -0.02 -1.04 0.25 0.00 -1.21 0.00 0.00 61.69 59.67 2aqz s THR 34 Cb -0.08 -0.49 0.04 0.00 -1.51 0.00 0.00 72.50 70.47 2aqz s THR 34 CO 0.01 -0.47 1.39 0.54 -2.21 0.00 0.00 174.62 173.88 2aqz n ARG 35 N 1.45 0.22 -2.67 7.08 1.74 -1.26 0.01 116.66 123.23 2aqz n ARG 35 Ca -0.23 -0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.29 2aqz n ARG 35 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 2aqz n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2aqz s ASP 36 N -2.87 6.56 0.35 0.55 2.15 -1.26 -4.89 116.67 117.26 2aqz s ASP 36 Ca 0.14 0.29 0.27 0.00 0.43 0.00 0.00 52.55 53.67 2aqz s ASP 36 Cb 0.18 -2.52 1.17 0.00 -0.30 0.00 0.00 42.92 41.45 2aqz s ASP 36 CO 0.67 -1.23 1.80 0.03 -0.17 0.00 0.00 175.17 176.27 2aqz h ARG 37 N 9.24 0.00 -0.01 4.34 3.08 -2.02 -2.43 114.38 126.58 2aqz h ARG 37 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2aqz h ARG 37 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2aqz h ARG 37 CO 1.11 0.00 -0.07 -1.13 -1.07 0.00 0.00 179.97 178.81 2aqz n SER 38 N -2.47 0.93 -4.78 7.04 3.41 -1.26 -4.90 113.62 111.60 2aqz n SER 38 Ca 0.01 -1.11 -0.41 0.00 -0.26 0.00 0.00 58.87 57.10 2aqz n SER 38 Cb 0.21 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2aqz n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2aqz s ASP 39 N -2.18 6.25 0.00 4.04 -1.08 -0.92 -4.90 116.67 117.88 2aqz s ASP 39 Ca 0.36 3.01 0.16 0.00 -0.52 0.00 0.00 52.55 55.55 2aqz s ASP 39 Cb 0.21 -2.66 0.47 0.00 -1.46 0.00 0.00 42.92 39.47 2aqz s ASP 39 CO 0.40 -0.93 1.39 0.00 0.52 0.00 0.00 175.17 176.55 2aqz n GLN 40 N 0.32 2.11 -0.12 4.34 1.13 -1.26 -4.00 117.38 119.89 2aqz n GLN 40 Ca 0.02 -1.71 0.07 0.00 -1.94 0.00 0.00 57.00 53.44 2aqz n GLN 40 Cb 0.40 -1.39 0.13 0.00 0.11 0.00 0.00 30.24 29.49 2aqz n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2aqz n HIS 41 N 0.89 0.19 0.53 1.08 8.25 -1.26 -4.54 115.22 120.36 2aqz n HIS 41 Ca 0.17 -0.83 0.06 0.00 -0.26 0.00 0.00 57.72 56.86 2aqz n HIS 41 Cb 0.42 -0.14 0.02 0.00 1.12 0.00 0.00 29.99 31.40 2aqz n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2aqz n ILE 42 N -0.93 0.00 -2.70 1.59 -5.35 -1.26 -2.24 119.36 108.47 2aqz n ILE 42 Ca 0.13 -0.43 -0.43 0.00 -0.27 0.00 0.00 62.75 61.75 2aqz n ILE 42 Cb 0.57 1.20 -0.03 0.00 -1.74 0.00 0.00 39.64 39.64 2aqz n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2aqz s GLN 43 N -1.32 4.04 -0.07 6.28 1.11 -1.26 -4.43 119.66 124.02 2aqz s GLN 43 Ca 0.12 0.97 0.06 0.00 0.01 0.00 0.00 55.36 56.52 2aqz s GLN 43 Cb 0.10 -3.74 -0.01 0.00 -1.01 0.00 0.00 33.01 28.36 2aqz s GLN 43 CO 0.24 -0.86 -0.25 -0.51 0.01 0.00 0.00 175.29 173.92 2aqz s LEU 44 N 3.50 2.08 -0.29 2.90 1.43 -0.18 -1.83 118.68 126.28 2aqz s LEU 44 Ca 0.43 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 2aqz s LEU 44 Cb -0.13 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 2aqz s LEU 44 CO 0.15 0.23 0.15 -1.58 0.23 0.00 0.00 176.35 175.52 2aqz s GLN 45 N -0.07 3.54 0.18 1.70 2.00 0.15 -0.12 119.66 127.03 2aqz s GLN 45 Ca -0.06 -0.58 -0.03 0.00 -2.00 0.00 0.00 55.36 52.68 2aqz s GLN 45 Cb -0.15 -3.54 -0.05 0.00 0.80 0.00 0.00 33.01 30.07 2aqz s GLN 45 CO 0.05 -0.32 0.40 -0.51 -0.50 0.00 0.00 175.29 174.40 2aqz s LEU 46 N 1.65 4.23 -0.02 3.68 1.02 -1.26 -1.47 118.68 126.51 2aqz s LEU 46 Ca 0.06 0.51 -0.09 0.00 0.02 0.00 0.00 54.13 54.63 2aqz s LEU 46 Cb -0.16 -3.26 0.01 0.00 0.02 0.00 0.00 46.19 42.79 2aqz s LEU 46 CO 0.07 -0.01 0.19 -0.94 0.02 0.00 0.00 176.35 175.68 2aqz s SER 47 N -2.82 -0.07 -0.30 2.29 1.04 -1.03 -4.80 113.70 108.00 2aqz s SER 47 Ca 0.40 -0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.69 2aqz s SER 47 Cb -0.12 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 2aqz s SER 47 CO 0.27 -0.34 0.20 0.00 0.98 0.00 0.00 173.24 174.35 2aqz s ALA 48 N -1.12 3.47 0.07 5.32 0.00 -1.26 -1.65 121.76 126.60 2aqz s ALA 48 Ca -0.12 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 2aqz s ALA 48 Cb -0.06 -2.51 -0.26 0.00 0.00 0.00 0.00 23.12 20.29 2aqz s ALA 48 CO 0.02 -0.72 1.12 1.49 0.00 0.00 0.00 175.76 177.67 2aqz h GLU 49 N 8.40 0.19 -3.87 0.00 4.57 -1.43 -3.47 114.58 118.98 2aqz h GLU 49 Ca -0.34 -0.33 -0.09 0.00 -1.18 0.00 0.00 59.36 57.42 2aqz h GLU 49 Cb 1.17 0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 29.75 2aqz h GLU 49 CO 0.59 1.13 -0.39 -1.12 -1.18 0.00 0.00 179.01 178.04 2aqz s SER 50 N -6.98 0.13 0.06 1.04 0.01 -1.21 -5.04 113.70 101.71 2aqz s SER 50 Ca -0.04 -0.73 -0.33 0.00 1.31 0.00 0.00 55.95 56.16 2aqz s SER 50 Cb 0.08 0.35 -0.12 0.00 0.21 0.00 0.00 66.02 66.54 2aqz s SER 50 CO 0.86 -0.76 1.79 0.52 0.41 0.00 0.00 173.24 176.07 2aqz n VAL 51 N -0.08 0.36 -0.95 3.43 0.31 -1.26 -1.08 118.33 119.05 2aqz n VAL 51 Ca -0.13 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2aqz n VAL 51 Cb 0.62 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 2aqz n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2aqz n GLY 52 N 4.08 0.94 3.16 2.92 0.00 -1.26 -5.01 105.19 110.03 2aqz n GLY 52 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2aqz n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aqz s GLU 53 N -0.05 2.97 0.23 1.61 2.02 -0.24 -1.21 118.70 124.02 2aqz s GLU 53 Ca 0.00 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.21 2aqz s GLU 53 Cb 0.00 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 2aqz s GLU 53 CO 0.00 -0.27 -0.13 0.14 0.02 0.00 0.00 175.26 175.02 2aqz s VAL 54 N 1.31 1.78 0.11 2.63 -7.23 0.38 -1.00 120.40 118.39 2aqz s VAL 54 Ca 0.03 -2.21 0.04 0.00 -1.81 0.00 0.00 61.98 58.03 2aqz s VAL 54 Cb -0.14 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2aqz s VAL 54 CO -0.09 -0.52 0.11 -0.31 -0.31 0.00 0.00 175.10 173.98 2aqz s TYR 55 N -2.94 3.20 -0.24 2.82 2.02 -0.66 -1.27 117.35 120.27 2aqz s TYR 55 Ca 0.24 0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.99 2aqz s TYR 55 Cb -0.00 -1.59 0.07 0.00 -0.40 0.00 0.00 41.96 40.04 2aqz s TYR 55 CO 0.08 0.52 0.00 0.42 -1.57 0.00 0.00 175.55 175.01 2aqz s ILE 56 N -1.55 1.13 -0.01 2.71 1.01 -1.26 -2.47 121.20 120.77 2aqz s ILE 56 Ca 0.30 -1.09 0.07 0.00 0.00 0.00 0.00 60.65 59.94 2aqz s ILE 56 Cb -0.11 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 2aqz s ILE 56 CO 0.23 -0.25 -0.22 -0.75 0.00 0.00 0.00 174.94 173.95 2aqz s LYS 57 N 1.56 2.14 0.02 2.79 2.20 -0.54 -0.30 119.74 127.61 2aqz s LYS 57 Ca -0.01 -0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 54.38 2aqz s LYS 57 Cb -0.18 -2.13 -0.06 0.00 -1.51 0.00 0.00 37.83 33.95 2aqz s LYS 57 CO -0.10 0.56 1.35 0.45 -0.36 0.00 0.00 175.35 177.25 2aqz s SER 58 N -0.88 6.90 0.32 1.43 0.15 -0.03 0.30 113.70 121.88 2aqz s SER 58 Ca 0.11 2.11 0.17 0.00 0.70 0.00 0.00 55.95 59.03 2aqz s SER 58 Cb -0.10 -2.57 0.35 0.00 -1.71 0.00 0.00 66.02 61.99 2aqz s SER 58 CO 0.01 -0.66 1.58 0.71 1.20 0.00 0.00 173.24 176.08 2aqz h THR 59 N 4.75 0.91 0.02 6.45 1.35 -1.71 0.05 112.91 124.73 2aqz h THR 59 Ca -0.39 -1.94 -0.19 0.00 -0.55 0.00 0.00 66.41 63.34 2aqz h THR 59 Cb 1.19 2.21 0.02 0.00 -1.73 0.00 0.00 68.15 69.83 2aqz h THR 59 CO 0.88 0.46 -0.76 -0.08 -0.25 0.00 0.00 175.52 175.77 2aqz h GLU 60 N 0.00 0.48 0.00 4.72 4.57 -1.82 -3.39 114.58 119.15 2aqz h GLU 60 Ca -0.00 -0.54 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 2aqz h GLU 60 Cb 1.17 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 2aqz h GLU 60 CO 0.06 1.18 -0.36 0.25 -1.18 0.00 0.00 179.01 178.96 2aqz n THR 61 N -4.10 0.00 -0.80 0.32 -2.24 -1.24 -5.00 114.28 101.21 2aqz n THR 61 Ca -0.11 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2aqz n THR 61 Cb 0.75 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 2aqz n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aqz n GLY 62 N 1.18 1.25 3.78 3.38 0.00 0.00 -5.01 105.19 109.77 2aqz n GLY 62 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2aqz n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aqz s GLN 63 N -0.06 3.69 -0.13 1.61 -0.21 -1.26 -4.68 119.66 118.62 2aqz s GLN 63 Ca 0.00 1.65 -0.07 0.00 0.02 0.00 0.00 55.36 56.96 2aqz s GLN 63 Cb 0.00 -2.27 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 2aqz s GLN 63 CO 0.00 -0.58 0.12 0.71 -2.12 0.00 0.00 175.29 173.41 2aqz s TYR 64 N -1.67 3.50 0.28 0.91 1.51 0.69 -0.85 117.35 121.72 2aqz s TYR 64 Ca 0.66 0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 56.86 2aqz s TYR 64 Cb -0.25 -1.95 -0.10 0.00 -0.11 0.00 0.00 41.96 39.55 2aqz s TYR 64 CO 0.30 0.62 1.23 -1.17 -1.11 0.00 0.00 175.55 175.42 2aqz s LEU 65 N -0.78 4.47 0.10 -1.29 2.96 0.59 0.11 118.68 124.83 2aqz s LEU 65 Ca 0.13 2.46 -0.12 0.00 -0.22 0.00 0.00 54.13 56.38 2aqz s LEU 65 Cb -0.12 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.96 2aqz s LEU 65 CO 0.03 -0.39 0.29 0.00 -1.32 0.00 0.00 176.35 174.96 2aqz s ALA 66 N -0.81 -0.56 -0.11 5.97 0.00 -0.37 -4.39 121.76 121.49 2aqz s ALA 66 Ca 0.49 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.16 2aqz s ALA 66 Cb -0.36 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2aqz s ALA 66 CO 0.45 -0.54 -0.17 1.41 0.00 0.00 0.00 175.76 176.90 2aqz s MET 67 N -3.64 2.46 0.83 0.00 1.75 -0.67 -0.96 119.30 119.07 2aqz s MET 67 Ca 0.03 -0.65 -0.14 0.00 -1.25 0.00 0.00 55.69 53.67 2aqz s MET 67 Cb 0.03 -2.03 0.19 0.00 2.84 0.00 0.00 34.83 35.86 2aqz s MET 67 CO -0.10 -0.03 1.09 -0.40 -0.65 0.00 0.00 175.02 174.93 2aqz n ASP 68 N 4.10 -0.08 0.32 1.11 5.68 0.66 -4.79 116.55 123.55 2aqz n ASP 68 Ca -0.19 -1.37 0.20 0.00 -0.50 0.00 0.00 54.79 52.93 2aqz n ASP 68 Cb 0.51 -0.84 1.11 0.00 -1.14 0.00 0.00 41.12 40.76 2aqz n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2aqz h THR 69 N -1.71 0.18 -0.50 2.12 1.03 -2.01 -0.89 112.91 111.14 2aqz h THR 69 Ca -0.36 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 2aqz h THR 69 Cb 0.99 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.08 2aqz h THR 69 CO 0.25 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.23 2aqz n ASP 70 N -3.34 3.87 0.00 0.00 8.00 -1.26 -4.97 116.55 118.85 2aqz n ASP 70 Ca -0.03 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.16 2aqz n ASP 70 Cb 0.08 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 2aqz n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aqz n GLY 71 N 0.74 0.74 3.78 0.44 0.00 -0.34 -4.62 105.19 105.94 2aqz n GLY 71 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2aqz n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqz s LEU 72 N 0.00 4.48 0.35 0.99 1.43 -1.26 -0.74 118.68 123.94 2aqz s LEU 72 Ca 0.00 1.31 -0.25 0.00 -1.03 0.00 0.00 54.13 54.17 2aqz s LEU 72 Cb 0.00 -3.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.09 2aqz s LEU 72 CO 0.00 0.15 0.94 -0.76 0.23 0.00 0.00 176.35 176.92 2aqz s LEU 73 N -0.57 4.24 0.19 1.79 1.43 -1.26 -0.25 118.68 124.25 2aqz s LEU 73 Ca 0.32 1.80 -0.18 0.00 -1.03 0.00 0.00 54.13 55.04 2aqz s LEU 73 Cb -0.20 -4.15 0.03 0.00 0.03 0.00 0.00 46.19 41.91 2aqz s LEU 73 CO 0.20 -0.14 0.52 -0.72 0.23 0.00 0.00 176.35 176.44 2aqz s TYR 74 N -1.76 -0.16 -0.24 0.29 1.13 -0.13 -4.52 117.35 111.96 2aqz s TYR 74 Ca 0.53 -0.17 -0.13 0.00 -1.41 0.00 0.00 57.07 55.89 2aqz s TYR 74 Cb -0.16 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.05 2aqz s TYR 74 CO 0.21 -0.89 0.28 0.20 -2.51 0.00 0.00 175.55 172.83 2aqz s GLY 75 N -2.86 2.00 -0.12 5.49 0.00 -0.21 -1.24 107.32 110.38 2aqz s GLY 75 Ca 0.08 -0.78 -0.06 0.00 0.00 0.00 0.00 44.72 43.97 2aqz s GLY 75 CO -0.04 0.65 0.08 -0.45 0.00 0.00 0.00 173.10 173.34 2aqz s SER 76 N 1.21 5.91 0.37 1.64 0.15 0.12 -4.71 113.70 118.39 2aqz s SER 76 Ca 0.12 0.30 0.19 0.00 0.70 0.00 0.00 55.95 57.26 2aqz s SER 76 Cb -0.14 -1.87 0.64 0.00 -1.71 0.00 0.00 66.02 62.94 2aqz s SER 76 CO 0.07 0.35 1.71 1.56 1.20 0.00 0.00 173.24 178.14 2aqz h GLN 77 N 5.38 0.00 -5.29 5.44 1.08 -1.91 0.20 115.11 120.00 2aqz h GLN 77 Ca -0.50 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.30 2aqz h GLN 77 Cb 1.20 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.43 2aqz h GLN 77 CO 0.60 0.37 -0.77 0.95 -0.95 0.00 0.00 178.83 179.03 2aqz s THR 78 N -3.54 1.13 0.10 -0.54 -4.23 -1.26 -4.83 115.64 102.48 2aqz s THR 78 Ca 0.01 -1.46 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 2aqz s THR 78 Cb 0.10 -1.23 -0.06 0.00 1.34 0.00 0.00 72.50 72.66 2aqz s THR 78 CO 0.69 -0.33 1.08 -2.16 -0.54 0.00 0.00 174.62 173.36 2aqz s PRO 79 N -2.14 4.56 0.23 3.99 0.04 -1.26 -4.89 135.00 135.53 2aqz s PRO 79 Ca 0.02 1.64 0.04 0.00 0.04 0.00 0.00 61.00 62.73 2aqz s PRO 79 Cb -0.08 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 2aqz s PRO 79 CO 0.02 -0.02 0.23 0.27 0.04 0.00 0.00 177.00 177.54 2aqz n ASN 80 N 3.17 -0.61 0.25 6.66 0.23 -1.26 -5.03 115.26 118.66 2aqz n ASN 80 Ca 0.05 -2.46 0.17 0.00 -0.53 0.00 0.00 54.58 51.81 2aqz n ASN 80 Cb 0.48 1.31 0.79 0.00 -2.08 0.00 0.00 39.78 40.27 2aqz n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2aqz h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 -1.69 114.58 111.18 2aqz h GLU 81 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2aqz h GLU 81 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2aqz h GLU 81 CO 0.24 0.00 -0.03 0.39 0.07 0.00 0.00 179.01 179.68 2aqz n GLU 82 N -2.77 0.02 0.00 1.06 1.02 -1.26 -3.59 120.64 115.12 2aqz n GLU 82 Ca -0.00 -0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.25 2aqz n GLU 82 Cb 0.17 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.30 2aqz n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aqz s LEU 84 N -2.69 4.34 0.04 0.00 1.43 -1.24 -4.44 118.68 116.13 2aqz s LEU 84 Ca 0.18 0.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.27 2aqz s LEU 84 Cb 0.18 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2aqz s LEU 84 CO 0.62 0.07 -0.17 -0.36 0.23 0.00 0.00 176.35 176.75 2aqz s PHE 85 N 0.15 1.47 -0.48 0.29 0.08 -0.40 -1.15 117.98 117.95 2aqz s PHE 85 Ca 0.27 -0.36 -0.22 0.00 0.12 0.00 0.00 56.93 56.74 2aqz s PHE 85 Cb -0.16 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.45 2aqz s PHE 85 CO 0.13 0.06 0.75 -0.51 -0.10 0.00 0.00 175.22 175.55 2aqz s LEU 86 N -1.15 4.41 -0.31 -0.37 1.43 0.95 -0.47 118.68 123.17 2aqz s LEU 86 Ca 0.04 -0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 2aqz s LEU 86 Cb -0.08 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2aqz s LEU 86 CO 0.01 -0.94 0.84 -0.70 0.23 0.00 0.00 176.35 175.80 2aqz s GLU 87 N 3.18 3.98 0.12 1.70 2.12 -0.35 -1.86 118.70 127.60 2aqz s GLU 87 Ca 0.25 0.68 0.03 0.00 0.36 0.00 0.00 54.97 56.29 2aqz s GLU 87 Cb -0.14 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 2aqz s GLU 87 CO 0.19 -0.71 -0.08 1.03 -0.54 0.00 0.00 175.26 175.14 2aqz s ARG 88 N 3.07 0.93 0.39 4.30 1.81 -0.38 -4.64 118.95 124.44 2aqz s ARG 88 Ca 0.35 -1.38 -0.18 0.00 -1.72 0.00 0.00 55.73 52.80 2aqz s ARG 88 Cb -0.14 -0.39 -0.10 0.00 -0.45 0.00 0.00 34.95 33.87 2aqz s ARG 88 CO 0.13 0.03 0.86 -1.17 -0.68 0.00 0.00 175.30 174.46 2aqz s LEU 89 N -3.07 3.95 -0.02 2.53 2.96 -0.33 -0.51 118.68 124.19 2aqz s LEU 89 Ca 0.14 1.48 -0.02 0.00 -0.22 0.00 0.00 54.13 55.51 2aqz s LEU 89 Cb 0.04 -4.32 0.01 0.00 0.50 0.00 0.00 46.19 42.41 2aqz s LEU 89 CO -0.02 -0.32 0.05 -0.70 -1.32 0.00 0.00 176.35 174.03 2aqz s GLU 90 N -3.23 0.05 -1.33 1.98 2.56 0.10 -4.82 118.70 114.01 2aqz s GLU 90 Ca 0.58 0.09 -0.02 0.00 0.00 0.00 0.00 54.97 55.62 2aqz s GLU 90 Cb -0.10 -0.01 0.01 0.00 2.00 0.00 0.00 34.13 36.04 2aqz s GLU 90 CO 0.18 -0.03 0.19 0.39 -0.56 0.00 0.00 175.26 175.42 2aqz n GLU 91 N 3.22 -2.76 -2.12 4.30 1.02 -1.26 -1.06 120.64 121.98 2aqz n GLU 91 Ca -0.14 0.71 -0.17 0.00 -0.02 0.00 0.00 57.16 57.54 2aqz n GLU 91 Cb 0.58 -5.39 -0.03 0.00 -0.02 0.00 0.00 31.44 26.58 2aqz n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2aqz n ASN 92 N -2.05 -4.82 0.03 1.62 4.13 -1.26 -4.63 115.26 108.28 2aqz n ASN 92 Ca -0.14 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2aqz n ASN 92 Cb 0.62 -4.14 0.00 0.00 -1.54 0.00 0.00 39.78 34.72 2aqz n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2aqz n HIS 93 N -3.21 -2.16 -2.23 3.10 -0.00 -0.22 -5.15 115.22 105.34 2aqz n HIS 93 Ca -0.19 0.20 -0.28 0.00 -0.00 0.00 0.00 57.72 57.45 2aqz n HIS 93 Cb 0.62 0.90 0.03 0.00 -0.00 0.00 0.00 29.99 31.55 2aqz n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2aqz s TYR 94 N -2.00 3.32 -0.15 1.57 1.51 -0.23 -4.81 117.35 116.56 2aqz s TYR 94 Ca 0.00 0.82 -0.06 0.00 -1.01 0.00 0.00 57.07 56.81 2aqz s TYR 94 Cb 0.00 -2.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.01 2aqz s TYR 94 CO 0.00 -0.88 0.07 -0.80 -1.11 0.00 0.00 175.55 172.84 2aqz s ASN 95 N -4.30 5.78 0.19 2.29 -0.87 0.05 -0.72 114.94 117.36 2aqz s ASN 95 Ca 0.55 0.20 0.08 0.00 -1.57 0.00 0.00 52.86 52.12 2aqz s ASN 95 Cb -0.11 -1.89 -0.04 0.00 -0.02 0.00 0.00 41.25 39.18 2aqz s ASN 95 CO 0.48 0.28 -0.15 0.42 -2.57 0.00 0.00 177.10 175.55 2aqz s THR 96 N -0.26 1.71 -0.15 1.60 -4.23 0.33 -1.08 115.64 113.57 2aqz s THR 96 Ca 0.09 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 2aqz s THR 96 Cb -0.12 -1.96 0.05 0.00 1.34 0.00 0.00 72.50 71.81 2aqz s THR 96 CO 0.01 -0.53 0.04 -0.31 -0.54 0.00 0.00 174.62 173.29 2aqz s TYR 97 N -2.73 0.72 -0.18 3.99 2.02 -1.26 -1.25 117.35 118.65 2aqz s TYR 97 Ca 0.20 -0.51 -0.08 0.00 -0.37 0.00 0.00 57.07 56.31 2aqz s TYR 97 Cb -0.02 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 2aqz s TYR 97 CO 0.06 -0.50 0.09 0.42 -1.57 0.00 0.00 175.55 174.06 2aqz s ILE 98 N 1.96 5.08 -0.04 2.71 1.01 -0.77 -0.93 121.20 130.21 2aqz s ILE 98 Ca 0.01 0.07 -0.33 0.00 0.00 0.00 0.00 60.65 60.40 2aqz s ILE 98 Cb -0.15 -3.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.92 2aqz s ILE 98 CO -0.07 0.48 1.90 -0.24 0.00 0.00 0.00 174.94 177.01 2aqz n SER 99 N 3.27 3.66 -0.20 3.58 2.88 0.28 -0.04 113.62 127.05 2aqz n SER 99 Ca -0.17 0.96 -0.07 0.00 -1.33 0.00 0.00 58.87 58.25 2aqz n SER 99 Cb 0.53 -1.42 0.02 0.00 -0.75 0.00 0.00 64.21 62.59 2aqz n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2aqz h LYS 100 N 9.49 0.83 -0.09 -1.46 3.64 -1.44 0.43 116.57 127.96 2aqz h LYS 100 Ca -0.49 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 2aqz h LYS 100 Cb 1.26 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2aqz h LYS 100 CO 0.94 0.69 -0.01 -0.22 -2.27 0.00 0.00 179.45 178.59 2aqz h LYS 101 N 0.77 0.12 -0.25 1.90 3.64 -1.76 -2.62 116.57 118.37 2aqz h LYS 101 Ca 0.19 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.39 2aqz h LYS 101 Cb 0.15 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.83 2aqz h LYS 101 CO -0.02 0.14 -0.42 0.72 -2.27 0.00 0.00 179.45 177.61 2aqz n HIS 102 N -4.45 0.86 0.25 1.91 8.25 -1.01 -4.75 115.22 116.27 2aqz n HIS 102 Ca -0.02 -1.70 0.08 0.00 -0.26 0.00 0.00 57.72 55.83 2aqz n HIS 102 Cb 0.14 -0.36 0.63 0.00 1.12 0.00 0.00 29.99 31.52 2aqz n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aqz h ALA 103 N 1.24 1.76 0.00 -1.41 0.00 -0.52 -2.06 119.26 118.28 2aqz h ALA 103 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2aqz h ALA 103 Cb 1.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2aqz h ALA 103 CO 0.28 0.10 -0.08 1.05 0.00 0.00 0.00 179.25 180.60 2aqz h GLU 104 N 0.00 0.00 -0.48 0.00 9.09 -1.85 -2.45 114.58 118.89 2aqz h GLU 104 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2aqz h GLU 104 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 2aqz h GLU 104 CO 0.01 0.08 0.00 1.63 0.05 0.00 0.00 179.01 180.78 2aqz n LYS 105 N -3.72 2.73 -3.74 1.06 5.02 -0.78 -5.00 118.16 113.73 2aqz n LYS 105 Ca -0.02 -2.25 -0.24 0.00 -2.02 0.00 0.00 58.31 53.77 2aqz n LYS 105 Cb 0.19 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 2aqz n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2aqz n ASN 106 N 0.97 -2.16 -4.61 4.39 3.02 -0.92 -4.93 115.26 111.02 2aqz n ASN 106 Ca 0.16 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 2aqz n ASN 106 Cb 0.50 -3.71 -0.06 0.00 -0.61 0.00 0.00 39.78 35.90 2aqz n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2aqz s TRP 107 N -3.68 3.20 0.28 3.10 0.52 -1.22 -4.60 118.94 116.53 2aqz s TRP 107 Ca 0.13 0.71 0.07 0.00 0.02 0.00 0.00 56.10 57.03 2aqz s TRP 107 Cb -0.04 -3.13 -0.03 0.00 -1.15 0.00 0.00 33.47 29.11 2aqz s TRP 107 CO 0.84 -0.54 0.28 -0.06 0.02 0.00 0.00 176.95 177.49 2aqz s PHE 108 N 2.82 3.14 -0.01 -1.98 0.40 -1.26 -0.56 117.98 120.53 2aqz s PHE 108 Ca 0.29 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.18 2aqz s PHE 108 Cb -0.14 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 2aqz s PHE 108 CO 0.12 0.38 1.00 0.08 0.70 0.00 0.00 175.22 177.51 2aqz s VAL 109 N -2.14 4.78 -0.05 -0.44 1.01 -0.11 -4.63 120.40 118.82 2aqz s VAL 109 Ca 0.36 2.00 -0.22 0.00 0.00 0.00 0.00 61.98 64.12 2aqz s VAL 109 Cb -0.08 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.06 2aqz s VAL 109 CO 0.27 0.13 0.49 -0.83 0.00 0.00 0.00 175.10 175.16 2aqz s GLY 110 N 1.04 -0.36 -0.04 4.51 0.00 -1.26 -4.50 107.32 106.70 2aqz s GLY 110 Ca 0.52 0.90 0.06 0.00 0.00 0.00 0.00 44.72 46.20 2aqz s GLY 110 CO 0.26 0.63 -0.22 1.08 0.00 0.00 0.00 173.10 174.85 2aqz s LEU 111 N -1.04 2.02 0.60 0.66 1.43 -0.65 -0.55 118.68 121.14 2aqz s LEU 111 Ca -0.11 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 2aqz s LEU 111 Cb -0.03 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 2aqz s LEU 111 CO 0.06 0.23 0.95 -0.54 0.23 0.00 0.00 176.35 177.28 2aqz s LYS 112 N -0.22 3.27 0.56 1.70 1.02 0.66 -4.41 119.74 122.31 2aqz s LYS 112 Ca 0.00 0.37 0.24 0.00 0.02 0.00 0.00 55.97 56.60 2aqz s LYS 112 Cb -0.11 -2.19 1.53 0.00 -0.52 0.00 0.00 37.83 36.54 2aqz s LYS 112 CO 0.02 -0.61 2.15 0.87 -0.92 0.00 0.00 175.35 176.86 2aqz h LYS 113 N -0.22 0.00 -0.04 1.68 1.57 -1.87 -0.00 116.57 117.69 2aqz h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2aqz h LYS 113 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2aqz h LYS 113 CO 0.62 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.77 2aqz n ASN 114 N -4.16 0.36 0.00 0.86 0.23 -1.26 -4.88 115.26 106.41 2aqz n ASN 114 Ca -0.00 -1.49 0.00 0.00 -0.53 0.00 0.00 54.58 52.56 2aqz n ASN 114 Cb 0.21 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 2aqz n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2aqz n GLY 115 N 0.86 0.75 3.91 4.83 0.00 -0.01 -5.01 105.19 110.51 2aqz n GLY 115 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2aqz n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aqz s SER 116 N -2.91 6.43 0.51 1.61 1.04 -1.26 -0.88 113.70 118.25 2aqz s SER 116 Ca 0.00 0.57 -0.19 0.00 0.48 0.00 0.00 55.95 56.81 2aqz s SER 116 Cb 0.00 -2.08 -0.07 0.00 0.10 0.00 0.00 66.02 63.97 2aqz s SER 116 CO 0.00 -0.09 1.02 0.00 0.98 0.00 0.00 173.24 175.15 2aqz s LYS 118 N -3.59 3.83 0.26 0.00 1.02 0.28 -4.76 119.74 116.79 2aqz s LYS 118 Ca 0.64 0.29 -0.25 0.00 0.02 0.00 0.00 55.97 56.67 2aqz s LYS 118 Cb -0.14 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.25 2aqz s LYS 118 CO 0.25 0.43 0.86 0.50 -0.92 0.00 0.00 175.35 176.47 2aqz s ARG 119 N -2.36 4.52 0.19 1.68 3.52 -1.26 -4.60 118.95 120.63 2aqz s ARG 119 Ca 0.41 1.19 -0.25 0.00 -0.13 0.00 0.00 55.73 56.95 2aqz s ARG 119 Cb -0.13 -2.93 0.06 0.00 -1.56 0.00 0.00 34.95 30.39 2aqz s ARG 119 CO 0.20 0.38 1.52 0.41 -0.81 0.00 0.00 175.30 177.00 2aqz n GLY 120 N 0.84 -2.33 0.33 8.12 0.00 0.09 -1.03 105.19 111.21 2aqz n GLY 120 Ca -0.01 1.14 0.17 0.00 0.00 0.00 0.00 46.02 47.32 2aqz n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2aqz h PRO 121 N 0.00 0.00 -0.00 1.61 0.11 -1.87 -1.72 132.00 130.13 2aqz h PRO 121 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2aqz h PRO 121 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2aqz h PRO 121 CO -0.95 0.00 -0.17 0.54 -0.21 0.00 0.00 178.00 177.21 2aqz n ARG 122 N -3.87 0.43 -3.12 1.05 5.12 -0.20 -4.87 116.66 111.20 2aqz n ARG 122 Ca 0.01 -0.16 -0.24 0.00 -1.93 0.00 0.00 57.85 55.54 2aqz n ARG 122 Cb 0.31 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.11 2aqz n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2aqz s THR 123 N -2.68 4.63 -0.24 0.55 -4.23 -0.65 -4.96 115.64 108.07 2aqz s THR 123 Ca 0.22 -0.39 -0.37 0.00 -1.18 0.00 0.00 61.69 59.98 2aqz s THR 123 Cb 0.19 -3.71 0.15 0.00 1.34 0.00 0.00 72.50 70.47 2aqz s THR 123 CO 0.53 -0.51 1.30 -1.38 -0.54 0.00 0.00 174.62 174.03 2aqz s HIS 124 N -2.47 -0.07 0.42 3.99 -3.43 -1.26 -4.84 115.29 107.63 2aqz s HIS 124 Ca 0.44 0.04 -0.25 0.00 -0.80 0.00 0.00 55.06 54.50 2aqz s HIS 124 Cb -0.10 0.51 -0.10 0.00 -1.43 0.00 0.00 32.58 31.46 2aqz s HIS 124 CO 0.38 -0.10 1.17 0.66 -2.00 0.00 0.00 174.74 174.85 2aqz n TYR 125 N -0.02 1.77 0.00 0.38 4.01 -1.26 -2.83 117.16 119.21 2aqz n TYR 125 Ca 0.03 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 2aqz n TYR 125 Cb 0.57 -2.32 0.00 0.00 -0.31 0.00 0.00 39.34 37.28 2aqz n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqz n GLY 126 N 0.95 1.77 3.84 2.72 0.00 -1.26 -5.08 105.19 108.14 2aqz n GLY 126 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2aqz n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aqz s GLN 127 N -0.83 4.04 0.31 1.61 -0.21 -1.13 -4.97 119.66 118.48 2aqz s GLN 127 Ca 0.00 0.57 0.11 0.00 0.02 0.00 0.00 55.36 56.06 2aqz s GLN 127 Cb 0.00 -2.90 0.49 0.00 1.00 0.00 0.00 33.01 31.60 2aqz s GLN 127 CO 0.00 0.45 1.69 0.87 -2.12 0.00 0.00 175.29 176.18 2aqz h LYS 128 N 3.47 0.02 -0.10 2.91 1.79 -1.97 -3.17 116.57 119.52 2aqz h LYS 128 Ca -0.48 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.01 2aqz h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2aqz h LYS 128 CO 0.66 0.53 0.17 0.00 -1.08 0.00 0.00 179.45 179.73 2aqz h ALA 129 N 1.47 1.54 -0.02 3.86 0.00 -1.94 -1.67 119.26 122.50 2aqz h ALA 129 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aqz h ALA 129 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2aqz h ALA 129 CO 0.07 -0.22 -0.21 0.44 0.00 0.00 0.00 179.25 179.32 2aqz n ILE 130 N -3.49 0.00 -3.17 0.00 -5.35 -1.20 -1.63 119.36 104.52 2aqz n ILE 130 Ca -0.00 -0.27 -0.40 0.00 -0.27 0.00 0.00 62.75 61.81 2aqz n ILE 130 Cb 0.27 0.91 -0.07 0.00 -1.74 0.00 0.00 39.64 39.01 2aqz n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2aqz s LEU 131 N -2.28 4.10 0.06 7.28 1.43 -0.63 -4.48 118.68 124.16 2aqz s LEU 131 Ca 0.26 0.70 0.09 0.00 -1.03 0.00 0.00 54.13 54.15 2aqz s LEU 131 Cb 0.19 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 2aqz s LEU 131 CO 0.45 -0.28 -0.26 -0.36 0.23 0.00 0.00 176.35 176.13 2aqz s PHE 132 N 2.10 2.33 -0.28 0.29 0.40 -0.24 -0.72 117.98 121.86 2aqz s PHE 132 Ca 0.25 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 2aqz s PHE 132 Cb -0.16 -1.38 0.07 0.00 0.51 0.00 0.00 43.02 42.07 2aqz s PHE 132 CO 0.09 0.16 -0.05 -0.51 0.70 0.00 0.00 175.22 175.62 2aqz s LEU 133 N -1.37 3.72 0.18 -0.37 1.02 0.15 -0.77 118.68 121.25 2aqz s LEU 133 Ca 0.12 -1.61 -0.30 0.00 0.02 0.00 0.00 54.13 52.36 2aqz s LEU 133 Cb -0.10 -1.51 -0.08 0.00 0.02 0.00 0.00 46.19 44.52 2aqz s LEU 133 CO 0.03 -0.26 1.19 -2.16 0.02 0.00 0.00 176.35 175.16 2aqz s PRO 134 N 1.09 4.50 0.13 1.29 0.04 -1.26 -1.76 135.00 139.03 2aqz s PRO 134 Ca -0.02 1.85 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2aqz s PRO 134 Cb -0.19 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2aqz s PRO 134 CO -0.07 -0.07 -0.19 -0.51 0.04 0.00 0.00 177.00 176.21 2aqz s LEU 135 N -0.23 2.38 0.71 -3.56 1.43 0.37 -4.94 118.68 114.84 2aqz s LEU 135 Ca 0.52 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 2aqz s LEU 135 Cb -0.32 -0.81 0.03 0.00 0.03 0.00 0.00 46.19 45.12 2aqz s LEU 135 CO 0.36 -0.01 1.16 -2.84 0.23 0.00 0.00 176.35 175.25 2aqz s PRO 136 N -2.41 2.35 0.00 1.29 0.02 -1.26 -0.21 135.00 134.78 2aqz s PRO 136 Ca 0.11 1.59 0.28 0.00 0.02 0.00 0.00 61.00 63.00 2aqz s PRO 136 Cb -0.07 -1.88 1.09 0.00 0.02 0.00 0.00 34.50 33.66 2aqz s PRO 136 CO 0.05 -1.64 1.77 1.33 -0.33 0.00 0.00 177.00 178.18