#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqz n PHE 1 N 0.00 1.37 -2.84 -1.40 7.35 -1.26 -5.02 117.46 115.67 1jqz n PHE 1 Ca 0.00 -1.80 -0.42 0.00 -0.76 0.00 0.00 57.45 54.47 1jqz n PHE 1 Cb 0.00 -0.26 -0.04 0.00 0.35 0.00 0.00 39.48 39.54 1jqz n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jqz s ASN 2 N -3.36 6.93 0.03 -2.13 0.01 -1.26 -5.03 114.94 110.13 1jqz s ASN 2 Ca 0.38 1.15 -0.00 0.00 -0.71 0.00 0.00 52.86 53.68 1jqz s ASN 2 Cb 0.37 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1jqz s ASN 2 CO -0.04 -0.52 0.15 -0.76 -1.51 0.00 0.00 177.10 174.42 1jqz s LEU 3 N 2.76 4.16 0.63 0.60 1.43 -1.26 -0.96 118.68 126.04 1jqz s LEU 3 Ca 0.38 0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 1jqz s LEU 3 Cb -0.16 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1jqz s LEU 3 CO 0.08 0.21 1.04 -2.16 0.23 0.00 0.00 176.35 175.75 1jqz s PRO 4 N -2.19 3.43 0.71 1.29 0.04 -1.26 -4.59 135.00 132.44 1jqz s PRO 4 Ca 0.29 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 1jqz s PRO 4 Cb -0.13 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1jqz s PRO 4 CO 0.22 -0.71 1.10 -1.25 0.04 0.00 0.00 177.00 176.40 1jqz s PRO 5 N -4.96 2.76 0.00 0.56 0.04 -1.26 -4.95 135.00 127.19 1jqz s PRO 5 Ca 0.57 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1jqz s PRO 5 Cb -0.12 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1jqz s PRO 5 CO 0.51 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1jqz n GLY 6 N -3.03 1.28 2.11 0.56 0.00 -1.26 -5.11 105.19 99.76 1jqz n GLY 6 Ca 0.07 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 1jqz n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jqz n ASN 7 N 0.00 -0.63 -0.85 1.61 0.23 -1.26 -5.05 115.26 109.31 1jqz n ASN 7 Ca 0.00 -2.34 0.08 0.00 -0.53 0.00 0.00 54.58 51.79 1jqz n ASN 7 Cb 0.00 1.31 0.23 0.00 -2.08 0.00 0.00 39.78 39.24 1jqz n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1jqz n TYR 8 N -0.39 0.82 -0.16 -2.53 4.01 -1.26 -4.69 117.16 112.95 1jqz n TYR 8 Ca 0.03 -0.73 -0.03 0.00 -0.16 0.00 0.00 57.90 57.01 1jqz n TYR 8 Cb 0.39 -0.22 0.06 0.00 -0.31 0.00 0.00 39.34 39.26 1jqz n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jqz h LYS 9 N 2.00 0.39 -6.16 -0.72 1.57 -1.97 -3.44 116.57 108.24 1jqz h LYS 9 Ca 0.00 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.15 1jqz h LYS 9 Cb 1.21 -0.09 -0.13 0.00 0.08 0.00 0.00 32.23 33.30 1jqz h LYS 9 CO 0.15 0.26 -0.73 0.15 -0.57 0.00 0.00 179.45 178.71 1jqz s LYS 10 N -6.13 1.80 0.87 3.15 1.02 -1.26 -5.11 119.74 114.08 1jqz s LYS 10 Ca -0.13 -1.74 -0.11 0.00 0.02 0.00 0.00 55.97 54.01 1jqz s LYS 10 Cb 0.15 -1.82 0.11 0.00 -0.52 0.00 0.00 37.83 35.74 1jqz s LYS 10 CO 0.73 0.30 1.09 -1.25 -0.92 0.00 0.00 175.35 175.31 1jqz s PRO 11 N -3.56 1.50 0.19 -1.68 0.04 -1.26 -4.74 135.00 125.49 1jqz s PRO 11 Ca 0.31 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1jqz s PRO 11 Cb -0.04 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1jqz s PRO 11 CO 0.16 -2.11 0.16 0.15 0.04 0.00 0.00 177.00 175.40 1jqz s LYS 12 N -4.90 1.17 -0.11 4.56 -0.14 0.13 -4.06 119.74 116.39 1jqz s LYS 12 Ca 0.63 -1.52 -0.04 0.00 -1.36 0.00 0.00 55.97 53.69 1jqz s LYS 12 Cb -0.18 0.29 -0.03 0.00 -1.68 0.00 0.00 37.83 36.23 1jqz s LYS 12 CO 0.57 -0.39 0.02 -0.51 -0.76 0.00 0.00 175.35 174.28 1jqz s LEU 13 N -3.11 3.69 -0.54 3.17 1.43 0.13 -1.05 118.68 122.40 1jqz s LEU 13 Ca 0.32 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1jqz s LEU 13 Cb 0.06 -1.87 0.14 0.00 0.03 0.00 0.00 46.19 44.55 1jqz s LEU 13 CO 0.09 0.33 0.44 -0.76 0.23 0.00 0.00 176.35 176.67 1jqz s LEU 14 N -0.56 5.88 -0.20 1.79 1.43 -1.26 -0.28 118.68 125.48 1jqz s LEU 14 Ca 0.10 -2.08 -0.24 0.00 -1.03 0.00 0.00 54.13 50.88 1jqz s LEU 14 Cb -0.12 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1jqz s LEU 14 CO 0.02 -0.68 0.79 -0.47 0.23 0.00 0.00 176.35 176.24 1jqz s TYR 15 N 1.12 3.37 -0.28 0.29 5.04 -0.16 -1.52 117.35 125.21 1jqz s TYR 15 Ca 0.08 1.15 -0.13 0.00 -2.44 0.00 0.00 57.07 55.73 1jqz s TYR 15 Cb -0.24 -2.99 -0.04 0.00 0.35 0.00 0.00 41.96 39.04 1jqz s TYR 15 CO -0.01 -0.29 0.30 0.00 -1.34 0.00 0.00 175.55 174.21 1jqz h SER 17 N 8.28 -0.18 -0.82 0.00 0.87 -1.76 0.03 113.55 119.97 1jqz h SER 17 Ca -0.33 0.09 0.09 0.00 -1.23 0.00 0.00 61.79 60.41 1jqz h SER 17 Cb 1.17 0.17 -0.11 0.00 -0.44 0.00 0.00 62.40 63.19 1jqz h SER 17 CO 0.61 -0.05 -0.44 -3.20 -0.53 0.00 0.00 176.83 173.21 1jqz n ASN 18 N -5.21 -0.79 0.00 6.23 5.15 -1.26 -2.94 115.26 116.45 1jqz n ASN 18 Ca 0.02 1.45 0.00 0.00 -0.60 0.00 0.00 54.58 55.45 1jqz n ASN 18 Cb 0.20 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 1jqz n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jqz n GLY 19 N -1.25 -0.48 1.93 8.20 0.00 -1.23 -4.65 105.19 107.71 1jqz n GLY 19 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1jqz n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqz n GLY 20 N -0.09 0.65 3.59 -0.02 0.00 -0.02 -4.97 105.19 104.33 1jqz n GLY 20 Ca 0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 1jqz n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jqz s HIS 21 N -3.05 2.70 -0.12 1.61 3.76 -1.10 -4.56 115.29 114.54 1jqz s HIS 21 Ca 0.12 -0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 54.74 1jqz s HIS 21 Cb -0.05 -1.35 -0.05 0.00 1.11 0.00 0.00 32.58 32.25 1jqz s HIS 21 CO 0.15 0.49 0.22 -0.06 -0.85 0.00 0.00 174.74 174.68 1jqz s PHE 22 N -1.56 3.57 0.20 1.40 0.08 0.15 0.17 117.98 121.99 1jqz s PHE 22 Ca 0.24 0.60 -0.31 0.00 0.12 0.00 0.00 56.93 57.58 1jqz s PHE 22 Cb -0.10 -2.12 -0.11 0.00 -0.57 0.00 0.00 43.02 40.13 1jqz s PHE 22 CO 0.15 0.56 1.62 -1.17 -0.10 0.00 0.00 175.22 176.28 1jqz s LEU 23 N -0.55 4.37 -0.03 -0.37 2.96 -0.58 -1.59 118.68 122.89 1jqz s LEU 23 Ca 0.16 2.75 0.03 0.00 -0.22 0.00 0.00 54.13 56.86 1jqz s LEU 23 Cb -0.13 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 1jqz s LEU 23 CO 0.05 -0.88 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.47 1jqz s ARG 24 N 0.86 1.26 -0.38 1.98 3.52 0.74 -4.48 118.95 122.45 1jqz s ARG 24 Ca 0.70 -0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1jqz s ARG 24 Cb -0.46 -1.15 0.10 0.00 -1.56 0.00 0.00 34.95 31.88 1jqz s ARG 24 CO 0.34 0.20 0.15 0.42 -0.81 0.00 0.00 175.30 175.60 1jqz s ILE 25 N 0.03 3.07 0.54 4.11 1.01 -0.83 -1.65 121.20 127.48 1jqz s ILE 25 Ca -0.01 -2.04 -0.20 0.00 0.00 0.00 0.00 60.65 58.40 1jqz s ILE 25 Cb -0.09 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.23 1jqz s ILE 25 CO 0.01 -0.61 1.13 -0.76 0.00 0.00 0.00 174.94 174.71 1jqz s LEU 26 N 1.11 3.76 0.48 2.97 1.43 0.15 -4.84 118.68 123.74 1jqz s LEU 26 Ca 0.07 2.19 0.23 0.00 -1.03 0.00 0.00 54.13 55.59 1jqz s LEU 26 Cb -0.22 -4.56 1.25 0.00 0.03 0.00 0.00 46.19 42.69 1jqz s LEU 26 CO -0.05 -1.20 1.91 -0.65 0.23 0.00 0.00 176.35 176.59 1jqz h PRO 27 N 1.25 0.20 0.00 1.29 0.11 -1.98 0.12 132.00 132.98 1jqz h PRO 27 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1jqz h PRO 27 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jqz h PRO 27 CO 0.57 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1jqz n ASP 28 N -4.41 0.00 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.73 1jqz n ASP 28 Ca 0.16 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1jqz n ASP 28 Cb 0.71 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 1jqz n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jqz n GLY 29 N 0.65 0.73 3.77 6.12 0.00 0.41 -4.97 105.19 111.89 1jqz n GLY 29 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1jqz n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jqz s THR 30 N -2.29 3.04 -0.05 2.61 2.01 -1.25 -0.94 115.64 118.78 1jqz s THR 30 Ca 0.00 0.72 0.04 0.00 0.31 0.00 0.00 61.69 62.76 1jqz s THR 30 Cb 0.00 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1jqz s THR 30 CO 0.00 -0.07 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.01 1jqz s VAL 31 N -1.63 1.30 0.00 3.82 1.01 -1.26 -0.68 120.40 122.96 1jqz s VAL 31 Ca 0.69 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1jqz s VAL 31 Cb -0.27 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1jqz s VAL 31 CO 0.32 0.38 0.00 -0.90 0.00 0.00 0.00 175.10 174.90 1jqz n ASP 32 N 3.31 0.00 -4.12 3.32 5.75 -0.66 -4.52 116.55 119.62 1jqz n ASP 32 Ca -0.19 -0.02 -0.16 0.00 -0.01 0.00 0.00 54.79 54.41 1jqz n ASP 32 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 1jqz n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jqz s GLY 33 N -0.19 0.71 0.02 6.12 0.00 0.36 -0.18 107.32 114.15 1jqz s GLY 33 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1jqz s GLY 33 CO 0.00 -0.97 -0.04 -1.08 0.00 0.00 0.00 173.10 171.02 1jqz s THR 34 N -1.47 0.20 -1.17 0.90 -1.32 -0.62 -4.81 115.64 107.35 1jqz s THR 34 Ca -0.05 -0.73 0.25 0.00 -1.21 0.00 0.00 61.69 59.96 1jqz s THR 34 Cb -0.09 -0.29 0.07 0.00 -1.51 0.00 0.00 72.50 70.67 1jqz s THR 34 CO 0.01 -0.34 1.45 0.54 -2.21 0.00 0.00 174.62 174.07 1jqz n ARG 35 N 1.94 0.19 -2.41 7.08 1.74 -1.26 -0.68 116.66 123.26 1jqz n ARG 35 Ca -0.21 -0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.35 1jqz n ARG 35 Cb 0.56 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1jqz n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jqz s ASP 36 N -2.88 6.07 0.47 0.55 2.15 -1.26 -4.84 116.67 116.92 1jqz s ASP 36 Ca 0.14 0.07 0.32 0.00 0.43 0.00 0.00 52.55 53.51 1jqz s ASP 36 Cb 0.18 -2.55 1.64 0.00 -0.30 0.00 0.00 42.92 41.89 1jqz s ASP 36 CO 0.66 -1.80 1.97 -0.09 -0.17 0.00 0.00 175.17 175.74 1jqz h ARG 37 N 11.09 0.00 -0.00 4.34 2.43 -2.00 -1.18 114.38 129.05 1jqz h ARG 37 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1jqz h ARG 37 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1jqz h ARG 37 CO 1.21 0.00 -0.18 -1.13 -1.51 0.00 0.00 179.97 178.36 1jqz n SER 38 N -2.65 0.47 -4.73 -3.80 3.41 -1.26 -4.92 113.62 100.13 1jqz n SER 38 Ca -0.01 -0.40 -0.42 0.00 -0.26 0.00 0.00 58.87 57.78 1jqz n SER 38 Cb 0.10 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1jqz n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jqz n ASP 39 N -1.09 3.70 -0.04 4.04 -0.08 -0.45 -4.89 116.55 117.74 1jqz n ASP 39 Ca 0.12 1.14 0.14 0.00 -1.51 0.00 0.00 54.79 54.68 1jqz n ASP 39 Cb 0.30 -1.57 0.68 0.00 2.34 0.00 0.00 41.12 42.87 1jqz n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jqz n GLN 40 N 2.17 0.46 -0.49 -0.67 1.13 -1.26 -3.64 117.38 115.07 1jqz n GLN 40 Ca 0.09 -0.08 0.08 0.00 -1.94 0.00 0.00 57.00 55.16 1jqz n GLN 40 Cb 0.36 -1.50 0.28 0.00 0.11 0.00 0.00 30.24 29.49 1jqz n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jqz n HIS 41 N -1.21 1.11 0.73 1.08 8.25 -1.26 -4.35 115.22 119.58 1jqz n HIS 41 Ca 0.13 -0.76 0.08 0.00 -0.26 0.00 0.00 57.72 56.91 1jqz n HIS 41 Cb 0.27 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 1jqz n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jqz n ILE 42 N 0.05 0.00 -2.68 1.59 -5.35 -1.24 -1.96 119.36 109.76 1jqz n ILE 42 Ca 0.21 -0.29 -0.43 0.00 -0.27 0.00 0.00 62.75 61.98 1jqz n ILE 42 Cb 0.86 1.15 -0.03 0.00 -1.74 0.00 0.00 39.64 39.89 1jqz n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jqz s GLN 43 N -2.04 3.91 -0.04 6.28 1.11 -1.26 -4.48 119.66 123.14 1jqz s GLN 43 Ca 0.12 0.78 0.06 0.00 0.01 0.00 0.00 55.36 56.34 1jqz s GLN 43 Cb 0.13 -3.80 -0.02 0.00 -1.01 0.00 0.00 33.01 28.31 1jqz s GLN 43 CO 0.46 -1.04 -0.22 -0.51 0.01 0.00 0.00 175.29 174.00 1jqz s LEU 44 N 3.79 2.29 -0.24 2.90 1.43 -0.21 -1.19 118.68 127.44 1jqz s LEU 44 Ca 0.44 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 1jqz s LEU 44 Cb -0.11 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1jqz s LEU 44 CO 0.20 0.31 0.06 -1.58 0.23 0.00 0.00 176.35 175.58 1jqz s GLN 45 N -0.56 3.68 0.11 1.70 2.00 0.87 0.20 119.66 127.67 1jqz s GLN 45 Ca 0.08 -0.47 0.00 0.00 -2.00 0.00 0.00 55.36 52.97 1jqz s GLN 45 Cb -0.11 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.36 1jqz s GLN 45 CO 0.00 -0.13 0.27 -0.51 -0.50 0.00 0.00 175.29 174.42 1jqz s LEU 46 N 1.46 4.33 0.01 3.68 1.02 -1.26 -1.27 118.68 126.64 1jqz s LEU 46 Ca 0.06 0.29 -0.15 0.00 0.02 0.00 0.00 54.13 54.35 1jqz s LEU 46 Cb -0.15 -3.01 0.02 0.00 0.02 0.00 0.00 46.19 43.08 1jqz s LEU 46 CO 0.03 0.10 0.31 -0.94 0.02 0.00 0.00 176.35 175.87 1jqz s SER 47 N -2.81 -0.17 -0.14 2.29 1.04 -0.82 -4.77 113.70 108.33 1jqz s SER 47 Ca 0.36 -0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.69 1jqz s SER 47 Cb -0.12 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1jqz s SER 47 CO 0.28 -0.53 0.10 0.00 0.98 0.00 0.00 173.24 174.07 1jqz s ALA 48 N -1.93 3.67 0.00 5.32 0.00 -1.26 -1.23 121.76 126.33 1jqz s ALA 48 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1jqz s ALA 48 Cb -0.03 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.18 1jqz s ALA 48 CO 0.01 0.47 0.00 -1.91 0.00 0.00 0.00 175.76 174.33 1jqz n GLU 49 N 2.49 0.00 -3.02 0.00 4.07 -0.23 -4.97 120.64 118.98 1jqz n GLU 49 Ca -0.19 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.74 1jqz n GLU 49 Cb 0.54 -0.08 0.03 0.00 -0.06 0.00 0.00 31.44 31.86 1jqz n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1jqz s SER 50 N -1.00 5.47 0.18 4.31 0.01 -1.26 -4.95 113.70 116.46 1jqz s SER 50 Ca 0.00 -0.56 -0.32 0.00 1.31 0.00 0.00 55.95 56.38 1jqz s SER 50 Cb 0.00 -0.34 -0.11 0.00 0.21 0.00 0.00 66.02 65.77 1jqz s SER 50 CO 0.00 -0.95 1.78 0.52 0.41 0.00 0.00 173.24 174.99 1jqz n VAL 51 N -1.98 0.15 -0.44 3.43 0.31 -1.26 -0.92 118.33 117.62 1jqz n VAL 51 Ca 0.11 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1jqz n VAL 51 Cb 0.60 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1jqz n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jqz n GLY 52 N 4.09 1.42 3.52 2.92 0.00 -1.26 -5.02 105.19 110.86 1jqz n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1jqz n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jqz s GLU 53 N -0.26 3.22 0.14 1.61 2.02 -0.09 -0.95 118.70 124.38 1jqz s GLU 53 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.44 1jqz s GLU 53 Cb 0.00 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 1jqz s GLU 53 CO 0.00 0.43 0.01 0.14 0.02 0.00 0.00 175.26 175.86 1jqz s VAL 54 N -0.17 0.43 0.00 2.63 -7.23 -0.16 -1.07 120.40 114.84 1jqz s VAL 54 Ca 0.02 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1jqz s VAL 54 Cb -0.13 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1jqz s VAL 54 CO 0.03 -0.58 -0.07 -0.31 -0.31 0.00 0.00 175.10 173.86 1jqz s TYR 55 N -3.82 2.89 -0.27 2.82 2.02 -0.37 -1.42 117.35 119.20 1jqz s TYR 55 Ca 0.21 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.88 1jqz s TYR 55 Cb 0.07 -1.61 0.07 0.00 -0.40 0.00 0.00 41.96 40.09 1jqz s TYR 55 CO 0.01 0.37 -0.03 0.42 -1.57 0.00 0.00 175.55 174.75 1jqz s ILE 56 N -0.99 1.70 -0.05 2.71 1.01 -1.26 -1.94 121.20 122.37 1jqz s ILE 56 Ca 0.17 -1.51 0.05 0.00 0.00 0.00 0.00 60.65 59.36 1jqz s ILE 56 Cb -0.11 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1jqz s ILE 56 CO 0.07 -0.24 -0.21 -0.75 0.00 0.00 0.00 174.94 173.82 1jqz s LYS 57 N 1.28 2.46 0.00 2.79 2.20 -0.40 0.17 119.74 128.24 1jqz s LYS 57 Ca -0.02 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 1jqz s LYS 57 Cb -0.19 -2.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.84 1jqz s LYS 57 CO -0.08 0.51 1.50 0.45 -0.36 0.00 0.00 175.35 177.37 1jqz s SER 58 N -0.46 6.76 0.28 1.43 0.15 0.10 -0.09 113.70 121.88 1jqz s SER 58 Ca 0.05 2.21 0.12 0.00 0.70 0.00 0.00 55.95 59.03 1jqz s SER 58 Cb -0.12 -2.56 0.35 0.00 -1.71 0.00 0.00 66.02 61.99 1jqz s SER 58 CO 0.01 -0.80 1.60 0.71 1.20 0.00 0.00 173.24 175.96 1jqz h THR 59 N 5.02 1.36 -0.02 6.45 1.35 -1.49 0.34 112.91 125.92 1jqz h THR 59 Ca -0.39 -2.14 -0.22 0.00 -0.55 0.00 0.00 66.41 63.12 1jqz h THR 59 Cb 1.18 2.18 0.02 0.00 -1.73 0.00 0.00 68.15 69.80 1jqz h THR 59 CO 0.92 0.60 -0.84 -0.08 -0.25 0.00 0.00 175.52 175.87 1jqz h GLU 60 N 0.00 0.60 0.00 4.72 4.57 -1.80 -3.38 114.58 119.28 1jqz h GLU 60 Ca -0.01 -0.62 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 1jqz h GLU 60 Cb 1.13 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1jqz h GLU 60 CO 0.08 1.23 -0.97 0.25 -1.18 0.00 0.00 179.01 178.42 1jqz n THR 61 N -4.01 0.00 -0.75 0.32 -2.24 -1.23 -5.00 114.28 101.37 1jqz n THR 61 Ca -0.10 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1jqz n THR 61 Cb 0.78 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1jqz n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jqz n GLY 62 N 1.61 1.09 3.77 3.38 0.00 0.12 -5.00 105.19 110.16 1jqz n GLY 62 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1jqz n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jqz s GLN 63 N -0.16 4.13 -0.13 1.61 -0.21 -1.25 -4.66 119.66 118.98 1jqz s GLN 63 Ca 0.00 1.72 -0.09 0.00 0.02 0.00 0.00 55.36 57.01 1jqz s GLN 63 Cb 0.00 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 1jqz s GLN 63 CO 0.00 -0.22 0.18 0.71 -2.12 0.00 0.00 175.29 173.83 1jqz s TYR 64 N -1.47 3.55 0.25 0.91 1.51 0.50 0.03 117.35 122.63 1jqz s TYR 64 Ca 0.56 0.53 -0.30 0.00 -1.01 0.00 0.00 57.07 56.86 1jqz s TYR 64 Cb -0.28 -2.06 -0.10 0.00 -0.11 0.00 0.00 41.96 39.41 1jqz s TYR 64 CO 0.35 0.58 1.35 -1.17 -1.11 0.00 0.00 175.55 175.55 1jqz s LEU 65 N -0.56 4.41 0.06 -1.29 2.96 0.13 -0.41 118.68 123.98 1jqz s LEU 65 Ca 0.14 2.56 -0.10 0.00 -0.22 0.00 0.00 54.13 56.52 1jqz s LEU 65 Cb -0.12 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.95 1jqz s LEU 65 CO 0.03 -0.58 0.22 0.00 -1.32 0.00 0.00 176.35 174.70 1jqz s ALA 66 N -0.25 -0.38 -0.17 5.97 0.00 0.12 -4.36 121.76 122.68 1jqz s ALA 66 Ca 0.56 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1jqz s ALA 66 Cb -0.39 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1jqz s ALA 66 CO 0.44 -0.44 -0.19 1.41 0.00 0.00 0.00 175.76 176.97 1jqz s MET 67 N -3.11 2.91 1.12 0.00 1.75 -0.81 -0.00 119.30 121.16 1jqz s MET 67 Ca -0.01 -0.80 -0.19 0.00 -1.25 0.00 0.00 55.69 53.44 1jqz s MET 67 Cb 0.01 -2.51 0.27 0.00 2.84 0.00 0.00 34.83 35.45 1jqz s MET 67 CO -0.07 -0.20 1.17 -0.40 -0.65 0.00 0.00 175.02 174.87 1jqz n ASP 68 N 4.59 -1.26 0.25 1.11 5.68 0.28 -4.81 116.55 122.40 1jqz n ASP 68 Ca -0.20 -1.28 0.15 0.00 -0.50 0.00 0.00 54.79 52.96 1jqz n ASP 68 Cb 0.50 -1.00 0.84 0.00 -1.14 0.00 0.00 41.12 40.33 1jqz n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jqz h THR 69 N -2.36 0.58 -0.63 2.12 1.03 -2.00 -0.47 112.91 111.18 1jqz h THR 69 Ca -0.41 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 1jqz h THR 69 Cb 1.21 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 1jqz h THR 69 CO 0.28 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.26 1jqz n ASP 70 N -3.94 4.74 0.00 0.00 8.00 -1.26 -4.94 116.55 119.15 1jqz n ASP 70 Ca -0.01 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.02 1jqz n ASP 70 Cb 0.18 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1jqz n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jqz n GLY 71 N 1.04 0.51 3.76 0.44 0.00 -0.18 -4.66 105.19 106.11 1jqz n GLY 71 Ca 0.25 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1jqz n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jqz s LEU 72 N 0.00 4.36 0.30 0.99 1.43 -1.26 -0.66 118.68 123.85 1jqz s LEU 72 Ca 0.00 0.91 -0.28 0.00 -1.03 0.00 0.00 54.13 53.74 1jqz s LEU 72 Cb 0.00 -2.69 -0.09 0.00 0.03 0.00 0.00 46.19 43.44 1jqz s LEU 72 CO 0.00 0.13 1.00 -0.76 0.23 0.00 0.00 176.35 176.95 1jqz s LEU 73 N -0.07 4.44 0.16 1.79 1.43 -1.26 -0.56 118.68 124.61 1jqz s LEU 73 Ca 0.26 2.02 -0.13 0.00 -1.03 0.00 0.00 54.13 55.24 1jqz s LEU 73 Cb -0.16 -3.84 0.01 0.00 0.03 0.00 0.00 46.19 42.23 1jqz s LEU 73 CO 0.12 -0.11 0.36 -0.72 0.23 0.00 0.00 176.35 176.23 1jqz s TYR 74 N -1.39 0.11 -0.25 0.29 1.13 1.00 -4.49 117.35 113.74 1jqz s TYR 74 Ca 0.48 -0.47 -0.16 0.00 -1.41 0.00 0.00 57.07 55.51 1jqz s TYR 74 Cb -0.25 0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.71 1jqz s TYR 74 CO 0.31 -0.75 0.40 0.20 -2.51 0.00 0.00 175.55 173.20 1jqz s GLY 75 N -2.90 1.93 -0.11 5.49 0.00 -0.12 -0.71 107.32 110.91 1jqz s GLY 75 Ca 0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 44.08 1jqz s GLY 75 CO -0.04 0.98 0.08 -0.45 0.00 0.00 0.00 173.10 173.66 1jqz s SER 76 N 1.45 5.84 0.35 1.64 0.15 0.46 -4.74 113.70 118.84 1jqz s SER 76 Ca 0.17 0.29 0.17 0.00 0.70 0.00 0.00 55.95 57.28 1jqz s SER 76 Cb -0.15 -1.81 0.59 0.00 -1.71 0.00 0.00 66.02 62.93 1jqz s SER 76 CO 0.09 0.37 1.70 1.56 1.20 0.00 0.00 173.24 178.16 1jqz h GLN 77 N 5.24 0.00 -5.72 5.44 1.08 -1.91 0.14 115.11 119.39 1jqz h GLN 77 Ca -0.51 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.21 1jqz h GLN 77 Cb 1.21 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.43 1jqz h GLN 77 CO 0.58 0.43 -0.79 0.95 -0.95 0.00 0.00 178.83 179.05 1jqz s THR 78 N -3.60 1.44 0.10 -0.54 -4.23 -1.26 -4.81 115.64 102.75 1jqz s THR 78 Ca -0.00 -1.52 -0.31 0.00 -1.18 0.00 0.00 61.69 58.68 1jqz s THR 78 Cb 0.11 -1.40 -0.07 0.00 1.34 0.00 0.00 72.50 72.48 1jqz s THR 78 CO 0.70 -0.20 1.23 -2.16 -0.54 0.00 0.00 174.62 173.65 1jqz s PRO 79 N -2.06 4.43 0.34 3.99 0.04 -1.26 -4.86 135.00 135.61 1jqz s PRO 79 Ca 0.05 1.84 0.05 0.00 0.04 0.00 0.00 61.00 62.98 1jqz s PRO 79 Cb -0.09 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 1jqz s PRO 79 CO 0.04 -0.24 0.35 0.27 0.04 0.00 0.00 177.00 177.46 1jqz n ASN 80 N 3.54 -0.92 0.33 6.66 0.23 -1.26 -5.02 115.26 118.82 1jqz n ASN 80 Ca 0.08 -3.08 0.22 0.00 -0.53 0.00 0.00 54.58 51.27 1jqz n ASN 80 Cb 0.45 1.95 1.18 0.00 -2.08 0.00 0.00 39.78 41.28 1jqz n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1jqz h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 0.07 114.58 112.93 1jqz h GLU 81 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1jqz h GLU 81 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1jqz h GLU 81 CO 0.35 0.00 -0.04 0.39 0.07 0.00 0.00 179.01 179.77 1jqz n GLU 82 N -3.17 0.19 0.00 1.06 1.02 -1.26 -3.64 120.64 114.85 1jqz n GLU 82 Ca -0.03 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.21 1jqz n GLU 82 Cb 0.09 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.21 1jqz n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jqz s LEU 84 N -2.77 4.42 0.04 0.00 1.43 -1.24 -4.47 118.68 116.09 1jqz s LEU 84 Ca 0.16 1.17 0.05 0.00 -1.03 0.00 0.00 54.13 54.48 1jqz s LEU 84 Cb 0.18 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 1jqz s LEU 84 CO 0.65 0.11 -0.15 -0.36 0.23 0.00 0.00 176.35 176.83 1jqz s PHE 85 N -0.23 1.31 -0.47 0.29 0.08 -0.51 -1.28 117.98 117.17 1jqz s PHE 85 Ca 0.31 -0.35 -0.22 0.00 0.12 0.00 0.00 56.93 56.80 1jqz s PHE 85 Cb -0.18 -0.78 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 1jqz s PHE 85 CO 0.17 0.04 0.73 -0.51 -0.10 0.00 0.00 175.22 175.55 1jqz s LEU 86 N -1.07 4.43 -0.28 -0.37 1.43 0.18 -0.98 118.68 122.01 1jqz s LEU 86 Ca 0.03 -0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 52.57 1jqz s LEU 86 Cb -0.08 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 1jqz s LEU 86 CO 0.01 -0.90 0.69 -0.70 0.23 0.00 0.00 176.35 175.68 1jqz s GLU 87 N 3.11 4.03 0.14 1.70 2.12 -0.13 -1.64 118.70 128.03 1jqz s GLU 87 Ca 0.25 0.54 0.03 0.00 0.36 0.00 0.00 54.97 56.15 1jqz s GLU 87 Cb -0.14 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 1jqz s GLU 87 CO 0.19 -0.53 -0.07 1.03 -0.54 0.00 0.00 175.26 175.34 1jqz s ARG 88 N 2.68 1.00 0.33 4.30 1.81 -0.35 -4.69 118.95 124.04 1jqz s ARG 88 Ca 0.28 -1.43 -0.22 0.00 -1.72 0.00 0.00 55.73 52.64 1jqz s ARG 88 Cb -0.15 -0.44 -0.10 0.00 -0.45 0.00 0.00 34.95 33.81 1jqz s ARG 88 CO 0.10 0.01 0.88 -1.17 -0.68 0.00 0.00 175.30 174.45 1jqz s LEU 89 N -3.13 4.20 -0.02 2.53 2.96 -0.13 -0.55 118.68 124.53 1jqz s LEU 89 Ca 0.16 1.66 -0.03 0.00 -0.22 0.00 0.00 54.13 55.71 1jqz s LEU 89 Cb 0.04 -4.09 0.01 0.00 0.50 0.00 0.00 46.19 42.65 1jqz s LEU 89 CO -0.01 -0.15 0.07 -0.70 -1.32 0.00 0.00 176.35 174.25 1jqz s GLU 90 N -2.45 0.12 -1.31 1.98 2.56 0.68 -4.81 118.70 115.47 1jqz s GLU 90 Ca 0.53 0.05 -0.04 0.00 0.00 0.00 0.00 54.97 55.50 1jqz s GLU 90 Cb -0.15 0.05 0.03 0.00 2.00 0.00 0.00 34.13 36.06 1jqz s GLU 90 CO 0.20 -0.02 0.30 0.39 -0.56 0.00 0.00 175.26 175.57 1jqz n GLU 91 N 2.89 -3.18 -2.36 4.30 1.02 -1.26 -0.71 120.64 121.34 1jqz n GLU 91 Ca -0.13 0.66 -0.14 0.00 -0.02 0.00 0.00 57.16 57.52 1jqz n GLU 91 Cb 0.59 -5.36 -0.01 0.00 -0.02 0.00 0.00 31.44 26.64 1jqz n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jqz n ASN 92 N -2.15 -4.34 0.00 1.62 4.13 -1.26 -4.59 115.26 108.66 1jqz n ASN 92 Ca -0.10 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1jqz n ASN 92 Cb 0.60 -3.69 0.00 0.00 -1.54 0.00 0.00 39.78 35.15 1jqz n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1jqz n HIS 93 N -3.43 -1.86 -2.35 3.10 -0.00 0.11 -5.15 115.22 105.64 1jqz n HIS 93 Ca -0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.30 1jqz n HIS 93 Cb 0.62 0.45 0.10 0.00 -0.00 0.00 0.00 29.99 31.16 1jqz n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1jqz s TYR 94 N -1.90 2.17 -0.08 1.57 1.51 0.08 -4.82 117.35 115.89 1jqz s TYR 94 Ca 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 1jqz s TYR 94 Cb 0.00 -3.23 -0.03 0.00 -0.11 0.00 0.00 41.96 38.59 1jqz s TYR 94 CO 0.00 -1.68 -0.06 -0.80 -1.11 0.00 0.00 175.55 171.90 1jqz s ASN 95 N -4.66 4.68 0.12 2.29 -0.87 0.62 -0.23 114.94 116.89 1jqz s ASN 95 Ca 0.65 -0.03 0.09 0.00 -1.57 0.00 0.00 52.86 51.99 1jqz s ASN 95 Cb -0.07 -1.27 -0.04 0.00 -0.02 0.00 0.00 41.25 39.85 1jqz s ASN 95 CO 0.45 0.34 -0.22 0.42 -2.57 0.00 0.00 177.10 175.52 1jqz s THR 96 N -0.65 1.86 -0.22 1.60 -4.23 0.29 -1.22 115.64 113.05 1jqz s THR 96 Ca 0.10 -1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1jqz s THR 96 Cb -0.11 -1.71 0.06 0.00 1.34 0.00 0.00 72.50 72.08 1jqz s THR 96 CO 0.02 -0.08 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.70 1jqz s TYR 97 N -1.31 1.88 -0.16 3.99 2.02 -1.26 -1.21 117.35 121.31 1jqz s TYR 97 Ca 0.10 -1.45 -0.08 0.00 -0.37 0.00 0.00 57.07 55.27 1jqz s TYR 97 Cb -0.09 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1jqz s TYR 97 CO 0.05 -0.72 0.12 0.42 -1.57 0.00 0.00 175.55 173.85 1jqz s ILE 98 N 1.57 5.32 0.02 2.71 1.01 -0.65 -0.80 121.20 130.36 1jqz s ILE 98 Ca -0.03 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 1jqz s ILE 98 Cb -0.18 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 1jqz s ILE 98 CO -0.08 0.53 1.91 -0.55 0.00 0.00 0.00 174.94 176.75 1jqz s SER 99 N -0.31 6.48 0.11 3.58 0.15 -0.09 0.49 113.70 124.11 1jqz s SER 99 Ca 0.11 2.58 -0.19 0.00 0.70 0.00 0.00 55.95 59.14 1jqz s SER 99 Cb -0.12 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 61.59 1jqz s SER 99 CO 0.01 -1.04 1.71 0.50 1.20 0.00 0.00 173.24 175.62 1jqz h LYS 100 N 10.43 0.30 -0.83 5.44 3.64 -1.51 0.13 116.57 134.19 1jqz h LYS 100 Ca -0.48 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 58.96 1jqz h LYS 100 Cb 1.23 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 1jqz h LYS 100 CO 0.94 0.28 0.48 -0.22 -2.27 0.00 0.00 179.45 178.67 1jqz h LYS 101 N 0.24 0.80 -0.61 1.90 1.63 -1.77 -2.51 116.57 116.25 1jqz h LYS 101 Ca 0.08 -0.05 -0.27 0.00 -0.85 0.00 0.00 60.65 59.56 1jqz h LYS 101 Cb 0.07 -0.18 -0.16 0.00 -0.60 0.00 0.00 32.23 31.36 1jqz h LYS 101 CO -0.01 0.53 0.22 0.72 -3.45 0.00 0.00 179.45 177.45 1jqz n HIS 102 N -4.72 1.93 -0.25 1.91 8.25 -1.09 -4.74 115.22 116.50 1jqz n HIS 102 Ca 0.13 -1.52 0.04 0.00 -0.26 0.00 0.00 57.72 56.11 1jqz n HIS 102 Cb 0.26 -0.65 0.17 0.00 1.12 0.00 0.00 29.99 30.89 1jqz n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jqz h ALA 103 N 1.41 1.03 -0.09 -1.41 0.00 -0.27 -0.69 119.26 119.24 1jqz h ALA 103 Ca 0.33 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.37 1jqz h ALA 103 Cb 2.13 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.97 1jqz h ALA 103 CO 0.65 -0.17 0.09 1.05 0.00 0.00 0.00 179.25 180.87 1jqz h GLU 104 N 0.48 0.00 -0.01 0.00 9.09 -1.85 -1.11 114.58 121.18 1jqz h GLU 104 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 1jqz h GLU 104 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 1jqz h GLU 104 CO -0.37 0.00 -0.21 1.63 0.05 0.00 0.00 179.01 180.11 1jqz n LYS 105 N -3.98 0.86 -3.52 1.06 5.02 -0.27 -4.97 118.16 112.35 1jqz n LYS 105 Ca -0.01 -0.47 -0.19 0.00 -2.02 0.00 0.00 58.31 55.63 1jqz n LYS 105 Cb 0.20 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.78 1jqz n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jqz n ASN 106 N -0.66 -2.15 -4.61 4.39 4.13 -0.42 -4.95 115.26 110.98 1jqz n ASN 106 Ca 0.13 -0.71 -0.38 0.00 1.68 0.00 0.00 54.58 55.29 1jqz n ASN 106 Cb 0.33 -4.69 -0.10 0.00 -1.54 0.00 0.00 39.78 33.79 1jqz n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jqz s TRP 107 N -3.48 3.25 0.32 3.10 0.52 -1.25 -4.44 118.94 116.96 1jqz s TRP 107 Ca 0.05 0.30 0.08 0.00 0.02 0.00 0.00 56.10 56.55 1jqz s TRP 107 Cb -0.01 -2.47 -0.04 0.00 -1.15 0.00 0.00 33.47 29.80 1jqz s TRP 107 CO 0.76 -0.17 0.11 -0.06 0.02 0.00 0.00 176.95 177.62 1jqz s PHE 108 N 1.83 2.73 0.10 -1.98 0.40 -1.26 -0.91 117.98 118.88 1jqz s PHE 108 Ca 0.12 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 55.83 1jqz s PHE 108 Cb -0.16 -1.51 -0.06 0.00 0.51 0.00 0.00 43.02 41.81 1jqz s PHE 108 CO 0.10 0.42 0.95 0.08 0.70 0.00 0.00 175.22 177.47 1jqz s VAL 109 N -2.38 4.55 0.00 -0.44 1.01 0.02 -4.63 120.40 118.52 1jqz s VAL 109 Ca 0.36 2.04 -0.29 0.00 0.00 0.00 0.00 61.98 64.09 1jqz s VAL 109 Cb -0.04 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 32.10 1jqz s VAL 109 CO 0.22 0.31 0.67 -0.83 0.00 0.00 0.00 175.10 175.46 1jqz s GLY 110 N 0.08 -0.58 -0.04 4.51 0.00 -1.26 -4.43 107.32 105.60 1jqz s GLY 110 Ca 0.47 1.11 0.06 0.00 0.00 0.00 0.00 44.72 46.36 1jqz s GLY 110 CO 0.29 0.75 -0.22 1.08 0.00 0.00 0.00 173.10 175.00 1jqz s LEU 111 N -1.61 2.02 0.75 0.66 1.43 -0.50 -0.93 118.68 120.50 1jqz s LEU 111 Ca -0.08 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 1jqz s LEU 111 Cb -0.00 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 45.07 1jqz s LEU 111 CO 0.04 0.23 1.13 -0.54 0.23 0.00 0.00 176.35 177.44 1jqz s LYS 112 N -0.20 2.44 0.51 1.70 1.02 0.82 -4.46 119.74 121.56 1jqz s LYS 112 Ca -0.00 0.31 0.18 0.00 0.02 0.00 0.00 55.97 56.48 1jqz s LYS 112 Cb -0.12 -1.99 1.26 0.00 -0.52 0.00 0.00 37.83 36.46 1jqz s LYS 112 CO 0.02 -1.30 2.07 0.87 -0.92 0.00 0.00 175.35 176.09 1jqz h LYS 113 N -0.85 0.08 -0.07 1.68 1.57 -1.87 0.14 116.57 117.25 1jqz h LYS 113 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1jqz h LYS 113 Cb 1.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1jqz h LYS 113 CO 0.65 0.06 0.00 0.27 -0.57 0.00 0.00 179.45 179.85 1jqz n ASN 114 N -4.47 0.77 0.00 0.86 0.23 -1.26 -4.56 115.26 106.83 1jqz n ASN 114 Ca 0.03 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 1jqz n ASN 114 Cb 0.29 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 1jqz n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jqz n GLY 115 N 0.95 0.82 3.86 4.83 0.00 0.04 -4.99 105.19 110.69 1jqz n GLY 115 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1jqz n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jqz s SER 116 N -2.95 6.69 0.46 1.61 1.04 -1.26 -0.49 113.70 118.81 1jqz s SER 116 Ca 0.00 1.01 -0.22 0.00 0.48 0.00 0.00 55.95 57.21 1jqz s SER 116 Cb 0.00 -2.26 -0.08 0.00 0.10 0.00 0.00 66.02 63.78 1jqz s SER 116 CO 0.00 -0.05 1.12 0.00 0.98 0.00 0.00 173.24 175.28 1jqz s LYS 118 N -2.81 4.18 0.09 0.00 1.02 -0.11 -4.82 119.74 117.29 1jqz s LYS 118 Ca 0.64 0.86 -0.22 0.00 0.02 0.00 0.00 55.97 57.27 1jqz s LYS 118 Cb -0.25 -2.61 -0.07 0.00 -0.52 0.00 0.00 37.83 34.39 1jqz s LYS 118 CO 0.30 0.24 0.67 0.50 -0.92 0.00 0.00 175.35 176.13 1jqz s ARG 119 N -2.54 4.38 0.07 1.68 3.52 -1.26 -4.66 118.95 120.14 1jqz s ARG 119 Ca 0.50 0.92 -0.13 0.00 -0.13 0.00 0.00 55.73 56.89 1jqz s ARG 119 Cb -0.13 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1jqz s ARG 119 CO 0.19 0.54 0.82 0.41 -0.81 0.00 0.00 175.30 176.45 1jqz n GLY 120 N 1.85 -1.64 0.22 8.12 0.00 0.17 -0.06 105.19 113.85 1jqz n GLY 120 Ca -0.07 0.61 0.14 0.00 0.00 0.00 0.00 46.02 46.69 1jqz n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jqz h PRO 121 N 0.00 0.00 -0.01 1.61 0.11 -1.88 -0.13 132.00 131.70 1jqz h PRO 121 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1jqz h PRO 121 Cb 0.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1jqz h PRO 121 CO -0.40 0.00 -0.21 0.54 -0.21 0.00 0.00 178.00 177.72 1jqz n ARG 122 N -2.49 1.10 -3.85 1.05 5.12 0.91 -4.89 116.66 113.61 1jqz n ARG 122 Ca -0.02 -0.68 -0.21 0.00 -1.93 0.00 0.00 57.85 55.00 1jqz n ARG 122 Cb 0.07 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.87 1jqz n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jqz s THR 123 N -2.37 5.18 -0.09 0.55 -4.23 -0.06 -4.93 115.64 109.69 1jqz s THR 123 Ca 0.27 -0.90 -0.32 0.00 -1.18 0.00 0.00 61.69 59.56 1jqz s THR 123 Cb 0.20 -3.84 0.12 0.00 1.34 0.00 0.00 72.50 70.31 1jqz s THR 123 CO 0.48 -0.36 1.08 -1.38 -0.54 0.00 0.00 174.62 173.89 1jqz s HIS 124 N -2.05 -0.21 0.41 3.99 -3.43 -1.26 -4.82 115.29 107.93 1jqz s HIS 124 Ca 0.35 0.11 -0.26 0.00 -0.80 0.00 0.00 55.06 54.46 1jqz s HIS 124 Cb -0.09 0.53 -0.10 0.00 -1.43 0.00 0.00 32.58 31.49 1jqz s HIS 124 CO 0.30 -0.38 1.37 0.66 -2.00 0.00 0.00 174.74 174.70 1jqz n TYR 125 N -0.20 2.52 0.00 0.38 4.01 -1.26 -2.69 117.16 119.92 1jqz n TYR 125 Ca -0.04 0.47 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 1jqz n TYR 125 Cb 0.60 -2.44 0.00 0.00 -0.31 0.00 0.00 39.34 37.19 1jqz n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jqz n GLY 126 N 0.65 0.57 3.88 2.72 0.00 -1.26 -5.07 105.19 106.69 1jqz n GLY 126 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1jqz n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jqz s GLN 127 N -0.95 3.60 0.05 1.61 -0.21 -1.10 -4.98 119.66 117.69 1jqz s GLN 127 Ca 0.00 0.55 0.02 0.00 0.02 0.00 0.00 55.36 55.95 1jqz s GLN 127 Cb 0.00 -2.20 -0.25 0.00 1.00 0.00 0.00 33.01 31.56 1jqz s GLN 127 CO 0.00 -0.41 1.02 0.87 -2.12 0.00 0.00 175.29 174.65 1jqz h LYS 128 N -0.04 0.15 -0.39 2.91 1.79 -1.97 -3.35 116.57 115.68 1jqz h LYS 128 Ca -0.45 -0.25 0.11 0.00 -2.18 0.00 0.00 60.65 57.88 1jqz h LYS 128 Cb 1.19 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.92 1jqz h LYS 128 CO 0.62 1.02 0.31 0.00 -1.08 0.00 0.00 179.45 180.32 1jqz h ALA 129 N 0.73 2.25 -0.01 3.86 0.00 -1.94 -2.05 119.26 122.11 1jqz h ALA 129 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jqz h ALA 129 Cb 1.93 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1jqz h ALA 129 CO 0.15 -0.51 -0.16 0.44 0.00 0.00 0.00 179.25 179.17 1jqz n ILE 130 N -4.18 0.00 -3.09 0.00 -5.35 -1.26 -1.41 119.36 104.07 1jqz n ILE 130 Ca 0.06 -0.11 -0.41 0.00 -0.27 0.00 0.00 62.75 62.03 1jqz n ILE 130 Cb 0.49 0.19 -0.06 0.00 -1.74 0.00 0.00 39.64 38.52 1jqz n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jqz s LEU 131 N -2.42 4.08 0.13 7.28 1.43 -0.77 -4.44 118.68 123.97 1jqz s LEU 131 Ca 0.28 0.76 0.09 0.00 -1.03 0.00 0.00 54.13 54.24 1jqz s LEU 131 Cb 0.20 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1jqz s LEU 131 CO 0.47 -0.37 -0.21 -0.36 0.23 0.00 0.00 176.35 176.12 1jqz s PHE 132 N 2.44 1.88 -0.15 0.29 0.40 -0.36 -2.54 117.98 119.95 1jqz s PHE 132 Ca 0.27 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1jqz s PHE 132 Cb -0.16 -1.00 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1jqz s PHE 132 CO 0.09 0.27 -0.15 -0.51 0.70 0.00 0.00 175.22 175.61 1jqz s LEU 133 N -2.17 1.75 -0.15 -0.37 1.02 0.07 -0.28 118.68 118.56 1jqz s LEU 133 Ca 0.11 -0.50 -0.27 0.00 0.02 0.00 0.00 54.13 53.48 1jqz s LEU 133 Cb -0.09 -1.21 -0.01 0.00 0.02 0.00 0.00 46.19 44.90 1jqz s LEU 133 CO 0.05 -0.04 0.93 -2.16 0.02 0.00 0.00 176.35 175.15 1jqz s PRO 134 N 1.38 4.35 0.05 1.29 0.04 -1.26 -0.99 135.00 139.87 1jqz s PRO 134 Ca 0.03 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.35 1jqz s PRO 134 Cb -0.13 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1jqz s PRO 134 CO -0.10 -0.35 -0.13 -0.51 0.04 0.00 0.00 177.00 175.96 1jqz s LEU 135 N 2.18 2.88 0.53 -3.56 1.43 0.61 -4.90 118.68 117.84 1jqz s LEU 135 Ca 0.43 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.98 1jqz s LEU 135 Cb -0.17 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.30 1jqz s LEU 135 CO 0.14 0.24 1.15 -2.84 0.23 0.00 0.00 176.35 175.27 1jqz s PRO 136 N -1.68 3.42 0.00 1.29 0.02 -1.26 0.19 135.00 136.98 1jqz s PRO 136 Ca 0.17 1.69 0.30 0.00 0.02 0.00 0.00 61.00 63.19 1jqz s PRO 136 Cb -0.11 -2.11 1.50 0.00 0.02 0.00 0.00 34.50 33.80 1jqz s PRO 136 CO 0.08 -0.81 2.00 1.33 -0.33 0.00 0.00 177.00 179.27