#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 1.05 -2.80 -1.40 7.35 -1.26 -5.01 117.46 115.38 1jqz n PHE 1 Ca 0.00 -1.65 -0.42 0.00 -0.76 0.00 0.00 57.45 54.61 1jqz n PHE 1 Cb 0.00 -0.26 -0.03 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 -3.23 6.87 0.00 -2.13 0.01 -1.26 -5.03 114.94 110.17 1jqz s ASN 2 Ca 0.40 1.02 -0.01 0.00 -0.71 0.00 0.00 52.86 53.56 1jqz s ASN 2 Cb 0.38 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1jqz s ASN 2 CO -0.05 -0.65 0.13 -0.76 -1.51 0.00 0.00 177.10 174.26 1jqz s LEU 3 N 3.11 4.10 0.54 0.60 1.43 -1.26 -0.93 118.68 126.27 1jqz s LEU 3 Ca 0.38 0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 53.53 1jqz s LEU 3 Cb -0.14 -2.45 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 1jqz s LEU 3 CO 0.10 0.26 1.03 -2.16 0.23 0.00 0.00 176.35 175.81 1jqz s PRO 4 N -1.88 3.63 0.84 1.29 0.04 -1.26 -4.62 135.00 133.03 1jqz s PRO 4 Ca 0.25 1.18 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 1jqz s PRO 4 Cb -0.12 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.43 1jqz s PRO 4 CO 0.17 -0.55 1.11 -1.25 0.04 0.00 0.00 177.00 176.52 1jqz s PRO 5 N -3.83 1.75 0.00 0.56 0.04 -1.26 -4.93 135.00 127.33 1jqz s PRO 5 Ca 0.63 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1jqz s PRO 5 Cb -0.14 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1jqz s PRO 5 CO 0.30 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1jqz n GLY 6 N -2.07 2.80 2.34 0.56 0.00 -1.26 -5.12 105.19 102.44 1jqz n GLY 6 Ca 0.07 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 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 1.11 -0.74 1.61 0.23 -1.26 -5.07 115.26 111.14 1jqz n ASN 7 Ca 0.00 -2.51 0.06 0.00 -0.53 0.00 0.00 54.58 51.60 1jqz n ASN 7 Cb 0.00 0.73 0.19 0.00 -2.08 0.00 0.00 39.78 38.62 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 -0.64 0.62 -0.22 -2.53 4.01 -1.26 -4.69 117.16 112.45 1jqz n TYR 8 Ca -0.04 -0.59 0.03 0.00 -0.16 0.00 0.00 57.90 57.14 1jqz n TYR 8 Cb 0.43 -0.10 0.14 0.00 -0.31 0.00 0.00 39.34 39.50 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 2.08 0.26 -6.04 -0.72 1.57 -1.98 -3.43 116.57 108.31 1jqz h LYS 9 Ca 0.00 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.16 1jqz h LYS 9 Cb 0.93 -0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.06 1jqz h LYS 9 CO 0.06 0.17 -0.67 0.15 -0.57 0.00 0.00 179.45 178.60 1jqz s LYS 10 N -6.08 1.93 0.87 3.15 1.02 -1.26 -5.09 119.74 114.27 1jqz s LYS 10 Ca -0.13 -1.79 -0.11 0.00 0.02 0.00 0.00 55.97 53.96 1jqz s LYS 10 Cb 0.19 -1.84 0.11 0.00 -0.52 0.00 0.00 37.83 35.78 1jqz s LYS 10 CO 0.75 0.19 1.09 -2.14 -0.92 0.00 0.00 175.35 174.32 1jqz s PRO 11 N -3.64 1.46 0.30 -1.68 0.02 -1.26 -4.72 135.00 125.49 1jqz s PRO 11 Ca 0.33 0.92 -0.13 0.00 0.02 0.00 0.00 61.00 62.14 1jqz s PRO 11 Cb -0.01 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.71 1jqz s PRO 11 CO 0.18 -2.13 0.60 -1.59 -0.33 0.00 0.00 177.00 173.73 1jqz s LYS 12 N -4.91 1.82 0.05 5.54 0.00 0.80 -4.26 119.74 118.78 1jqz s LYS 12 Ca 0.63 -1.33 0.03 0.00 0.00 0.00 0.00 55.97 55.30 1jqz s LYS 12 Cb -0.18 0.53 -0.04 0.00 0.00 0.00 0.00 37.83 38.14 1jqz s LYS 12 CO 0.57 -0.80 0.03 -0.51 0.00 0.00 0.00 175.35 174.64 1jqz s LEU 13 N -3.05 3.61 -0.36 2.77 1.43 0.93 -1.13 118.68 122.88 1jqz s LEU 13 Ca 0.20 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1jqz s LEU 13 Cb -0.03 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 44.06 1jqz s LEU 13 CO 0.11 0.22 0.12 -0.76 0.23 0.00 0.00 176.35 176.28 1jqz s LEU 14 N -2.01 4.65 -0.30 1.79 1.43 -1.26 -0.59 118.68 122.39 1jqz s LEU 14 Ca 0.24 -1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 51.58 1jqz s LEU 14 Cb -0.12 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1jqz s LEU 14 CO 0.16 -0.41 0.45 -0.47 0.23 0.00 0.00 176.35 176.30 1jqz s TYR 15 N 1.24 3.23 -0.21 0.29 5.04 0.25 -1.26 117.35 125.93 1jqz s TYR 15 Ca 0.02 0.34 -0.22 0.00 -2.44 0.00 0.00 57.07 54.77 1jqz s TYR 15 Cb -0.21 -2.72 -0.02 0.00 0.35 0.00 0.00 41.96 39.36 1jqz s TYR 15 CO -0.02 -0.36 0.69 0.00 -1.34 0.00 0.00 175.55 174.52 1jqz h SER 17 N 7.57 -0.74 -0.66 0.00 4.64 -1.60 0.07 113.55 122.82 1jqz h SER 17 Ca -0.29 0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1jqz h SER 17 Cb 1.13 0.35 -0.08 0.00 -0.31 0.00 0.00 62.40 63.49 1jqz h SER 17 CO 0.80 -0.27 -0.37 -3.20 -0.87 0.00 0.00 176.83 172.91 1jqz n ASN 18 N -5.37 -0.67 0.00 4.97 5.15 -1.21 -2.84 115.26 115.28 1jqz n ASN 18 Ca -0.01 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 1jqz n ASN 18 Cb 0.29 -0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 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 -1.18 -0.80 1.67 8.20 0.00 -1.24 -4.68 105.19 107.16 1jqz n GLY 19 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 0.05 0.23 3.41 -0.02 0.00 -0.01 -4.99 105.19 103.85 1jqz n GLY 20 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.10 2.30 0.00 1.61 3.76 -1.08 -4.62 115.29 114.17 1jqz s HIS 21 Ca 0.00 -0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 54.38 1jqz s HIS 21 Cb -0.00 -1.18 -0.06 0.00 1.11 0.00 0.00 32.58 32.45 1jqz s HIS 21 CO 0.20 0.43 0.48 -0.06 -0.85 0.00 0.00 174.74 174.94 1jqz s PHE 22 N -1.43 3.72 0.13 1.40 0.08 -0.04 0.03 117.98 121.86 1jqz s PHE 22 Ca 0.18 1.07 -0.31 0.00 0.12 0.00 0.00 56.93 57.99 1jqz s PHE 22 Cb -0.09 -2.41 -0.09 0.00 -0.57 0.00 0.00 43.02 39.86 1jqz s PHE 22 CO 0.08 0.54 1.57 -1.17 -0.10 0.00 0.00 175.22 176.14 1jqz s LEU 23 N -0.77 4.37 -0.03 -0.37 2.96 -0.39 -0.96 118.68 123.49 1jqz s LEU 23 Ca 0.26 2.55 0.05 0.00 -0.22 0.00 0.00 54.13 56.77 1jqz s LEU 23 Cb -0.17 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 1jqz s LEU 23 CO 0.15 -0.82 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.58 1jqz s ARG 24 N 1.52 1.56 -0.37 1.98 3.52 0.43 -4.41 118.95 123.18 1jqz s ARG 24 Ca 0.70 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 55.71 1jqz s ARG 24 Cb -0.42 -1.44 0.10 0.00 -1.56 0.00 0.00 34.95 31.63 1jqz s ARG 24 CO 0.31 0.32 0.11 0.42 -0.81 0.00 0.00 175.30 175.65 1jqz s ILE 25 N -0.22 2.62 0.74 4.11 1.01 -0.81 -0.38 121.20 128.28 1jqz s ILE 25 Ca 0.02 -2.29 -0.12 0.00 0.00 0.00 0.00 60.65 58.26 1jqz s ILE 25 Cb -0.09 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.54 1jqz s ILE 25 CO 0.00 -0.64 1.10 -0.76 0.00 0.00 0.00 174.94 174.65 1jqz s LEU 26 N 0.93 3.13 0.57 2.97 1.43 0.99 -4.83 118.68 123.88 1jqz s LEU 26 Ca 0.10 1.90 0.31 0.00 -1.03 0.00 0.00 54.13 55.41 1jqz s LEU 26 Cb -0.20 -4.53 1.75 0.00 0.03 0.00 0.00 46.19 43.23 1jqz s LEU 26 CO -0.07 -1.96 2.19 -0.65 0.23 0.00 0.00 176.35 176.10 1jqz h PRO 27 N -0.80 0.00 -0.09 1.29 0.11 -1.99 -0.26 132.00 130.26 1jqz h PRO 27 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jqz h PRO 27 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jqz h PRO 27 CO 0.52 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1jqz n ASP 28 N -3.63 0.95 0.00 -2.05 5.75 -1.26 -4.87 116.55 111.44 1jqz n ASP 28 Ca -0.02 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 1jqz n ASP 28 Cb 0.15 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.99 0.94 3.78 6.12 0.00 -0.11 -4.97 105.19 111.94 1jqz n GLY 29 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1jqz n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jqz s THR 30 N -2.93 3.79 -0.06 2.61 -1.32 -1.25 -0.88 115.64 115.59 1jqz s THR 30 Ca 0.00 1.36 0.06 0.00 -1.21 0.00 0.00 61.69 61.89 1jqz s THR 30 Cb 0.00 -3.69 -0.01 0.00 -1.51 0.00 0.00 72.50 67.29 1jqz s THR 30 CO 0.00 -0.01 -0.24 -0.69 -2.21 0.00 0.00 174.62 171.47 1jqz s VAL 31 N -1.69 2.11 0.00 5.08 1.01 -1.26 -0.00 120.40 125.64 1jqz s VAL 31 Ca 0.58 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1jqz s VAL 31 Cb -0.21 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1jqz s VAL 31 CO 0.26 0.57 0.00 -0.90 0.00 0.00 0.00 175.10 175.03 1jqz n ASP 32 N 3.02 0.00 -4.07 3.32 5.75 0.49 -4.45 116.55 120.61 1jqz n ASP 32 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.48 1jqz n ASP 32 Cb 0.52 0.00 -0.11 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 -0.10 0.51 0.03 6.12 0.00 -0.28 0.16 107.32 113.77 1jqz s GLY 33 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.91 1jqz s GLY 33 CO 0.00 -0.89 -0.07 -1.08 0.00 0.00 0.00 173.10 171.06 1jqz s THR 34 N -1.70 0.49 -1.42 0.90 -1.32 -0.13 -4.82 115.64 107.63 1jqz s THR 34 Ca -0.08 -0.93 0.28 0.00 -1.21 0.00 0.00 61.69 59.75 1jqz s THR 34 Cb -0.08 -0.54 0.31 0.00 -1.51 0.00 0.00 72.50 70.68 1jqz s THR 34 CO -0.01 -0.31 1.76 0.54 -2.21 0.00 0.00 174.62 174.39 1jqz n ARG 35 N 1.72 0.45 -2.60 7.08 1.74 -1.26 -0.86 116.66 122.92 1jqz n ARG 35 Ca -0.21 -0.17 -0.42 0.00 -0.77 0.00 0.00 57.85 56.28 1jqz n ARG 35 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 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 -2.67 6.35 0.54 0.55 -1.08 -1.26 -4.88 116.67 114.22 1jqz s ASP 36 Ca 0.22 -0.12 0.36 0.00 -0.52 0.00 0.00 52.55 52.49 1jqz s ASP 36 Cb 0.19 -2.54 1.81 0.00 -1.46 0.00 0.00 42.92 40.92 1jqz s ASP 36 CO 0.53 -1.56 2.09 -0.09 0.52 0.00 0.00 175.17 176.66 1jqz h ARG 37 N 9.66 0.00 -0.00 4.34 2.43 -2.02 -0.94 114.38 127.86 1jqz h ARG 37 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1jqz h ARG 37 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1jqz h ARG 37 CO 1.21 0.00 -0.40 -1.13 -1.51 0.00 0.00 179.97 178.14 1jqz n SER 38 N -2.86 0.51 -4.62 -3.80 3.41 -1.26 -4.93 113.62 100.07 1jqz n SER 38 Ca -0.01 -0.27 -0.47 0.00 -0.26 0.00 0.00 58.87 57.86 1jqz n SER 38 Cb 0.14 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.37 1.97 -0.12 4.04 -0.08 -0.36 -4.88 116.55 115.77 1jqz n ASP 39 Ca 0.07 1.14 0.14 0.00 -1.51 0.00 0.00 54.79 54.64 1jqz n ASP 39 Cb 0.33 -1.32 0.65 0.00 2.34 0.00 0.00 41.12 43.13 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 1.81 0.75 -0.34 -0.67 1.13 -1.26 -3.75 117.38 115.04 1jqz n GLN 40 Ca 0.13 -0.23 0.09 0.00 -1.94 0.00 0.00 57.00 55.05 1jqz n GLN 40 Cb 0.28 -1.50 0.26 0.00 0.11 0.00 0.00 30.24 29.40 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 -0.92 0.86 0.88 1.08 8.25 -1.26 -4.32 115.22 119.78 1jqz n HIS 41 Ca 0.15 -0.54 0.09 0.00 -0.26 0.00 0.00 57.72 57.17 1jqz n HIS 41 Cb 0.26 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 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 1.05 0.00 -2.66 1.59 -5.35 -1.25 -1.92 119.36 110.83 1jqz n ILE 42 Ca 0.20 -0.23 -0.43 0.00 -0.27 0.00 0.00 62.75 62.02 1jqz n ILE 42 Cb 0.60 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.64 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 -2.38 3.99 -0.00 6.28 1.11 -1.26 -4.49 119.66 122.91 1jqz s GLN 43 Ca 0.14 0.94 0.08 0.00 0.01 0.00 0.00 55.36 56.52 1jqz s GLN 43 Cb 0.15 -3.77 -0.02 0.00 -1.01 0.00 0.00 33.01 28.36 1jqz s GLN 43 CO 0.58 -0.97 -0.24 -0.51 0.01 0.00 0.00 175.29 174.16 1jqz s LEU 44 N 3.73 2.23 -0.30 2.90 1.43 -0.28 -1.22 118.68 127.17 1jqz s LEU 44 Ca 0.45 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1jqz s LEU 44 Cb -0.11 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.75 1jqz s LEU 44 CO 0.18 0.30 0.06 -1.58 0.23 0.00 0.00 176.35 175.54 1jqz s GLN 45 N -0.88 2.93 0.26 1.70 2.00 0.17 -0.14 119.66 125.69 1jqz s GLN 45 Ca 0.11 -0.96 -0.08 0.00 -2.00 0.00 0.00 55.36 52.43 1jqz s GLN 45 Cb -0.10 -3.32 -0.06 0.00 0.80 0.00 0.00 33.01 30.33 1jqz s GLN 45 CO 0.01 -0.49 0.56 -0.51 -0.50 0.00 0.00 175.29 174.36 1jqz s LEU 46 N 1.44 4.11 -0.12 3.68 1.02 -1.26 -1.27 118.68 126.29 1jqz s LEU 46 Ca 0.01 0.86 -0.18 0.00 0.02 0.00 0.00 54.13 54.84 1jqz s LEU 46 Cb -0.18 -3.65 0.04 0.00 0.02 0.00 0.00 46.19 42.43 1jqz s LEU 46 CO 0.01 -0.13 0.46 -0.94 0.02 0.00 0.00 176.35 175.77 1jqz s SER 47 N -2.66 -0.44 0.38 2.29 1.04 -0.87 -4.78 113.70 108.66 1jqz s SER 47 Ca 0.46 0.69 -0.06 0.00 0.48 0.00 0.00 55.95 57.52 1jqz s SER 47 Cb -0.11 0.73 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 1jqz s SER 47 CO 0.25 -0.30 0.68 0.00 0.98 0.00 0.00 173.24 174.84 1jqz s ALA 48 N -0.38 3.50 0.00 5.32 0.00 -1.26 -0.33 121.76 128.61 1jqz s ALA 48 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1jqz s ALA 48 Cb -0.03 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1jqz s ALA 48 CO 0.03 -0.03 0.00 -1.91 0.00 0.00 0.00 175.76 173.85 1jqz n GLU 49 N -1.53 0.00 -2.28 0.00 4.07 -0.57 -4.89 120.64 115.44 1jqz n GLU 49 Ca -0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 1jqz n GLU 49 Cb 0.55 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 32.03 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 0.45 4.38 0.16 4.31 0.01 -1.26 -4.89 113.70 116.85 1jqz s SER 50 Ca 0.00 0.16 -0.33 0.00 1.31 0.00 0.00 55.95 57.09 1jqz s SER 50 Cb 0.00 -0.63 -0.13 0.00 0.21 0.00 0.00 66.02 65.47 1jqz s SER 50 CO 0.00 -1.86 1.69 0.52 0.41 0.00 0.00 173.24 174.00 1jqz n VAL 51 N -3.02 0.10 -0.59 3.43 0.31 -1.26 -1.00 118.33 116.30 1jqz n VAL 51 Ca 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1jqz n VAL 51 Cb 0.60 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 3.81 1.01 3.59 2.92 0.00 -1.26 -5.03 105.19 110.23 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 -0.32 3.17 0.06 1.61 2.02 -0.17 -1.39 118.70 123.69 1jqz s GLU 53 Ca 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.52 1jqz s GLU 53 Cb 0.00 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 1jqz s GLU 53 CO 0.00 0.53 -0.05 0.14 0.02 0.00 0.00 175.26 175.90 1jqz s VAL 54 N -0.42 0.41 0.01 2.63 -7.23 0.19 -1.51 120.40 114.48 1jqz s VAL 54 Ca 0.07 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1jqz s VAL 54 Cb -0.12 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 1jqz s VAL 54 CO 0.02 -0.76 -0.02 -0.31 -0.31 0.00 0.00 175.10 173.72 1jqz s TYR 55 N -2.92 3.00 -0.25 2.82 2.02 0.55 -1.31 117.35 121.26 1jqz s TYR 55 Ca 0.01 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1jqz s TYR 55 Cb 0.01 -1.63 0.06 0.00 -0.40 0.00 0.00 41.96 40.00 1jqz s TYR 55 CO -0.05 0.44 -0.06 0.42 -1.57 0.00 0.00 175.55 174.73 1jqz s ILE 56 N -1.09 1.75 -0.07 2.71 1.01 -1.26 -2.05 121.20 122.20 1jqz s ILE 56 Ca 0.19 -1.44 0.02 0.00 0.00 0.00 0.00 60.65 59.43 1jqz s ILE 56 Cb -0.11 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1jqz s ILE 56 CO 0.10 -0.14 -0.12 -0.75 0.00 0.00 0.00 174.94 174.04 1jqz s LYS 57 N 1.28 2.75 -0.23 2.79 2.20 -0.40 -0.42 119.74 127.71 1jqz s LYS 57 Ca -0.05 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.63 1jqz s LYS 57 Cb -0.19 -2.50 -0.01 0.00 -1.51 0.00 0.00 37.83 33.62 1jqz s LYS 57 CO -0.07 0.56 1.34 0.45 -0.36 0.00 0.00 175.35 177.28 1jqz s SER 58 N -0.55 6.74 0.33 1.43 0.15 -0.16 0.42 113.70 122.05 1jqz s SER 58 Ca 0.08 1.49 0.08 0.00 0.70 0.00 0.00 55.95 58.30 1jqz s SER 58 Cb -0.12 -2.54 0.57 0.00 -1.71 0.00 0.00 66.02 62.22 1jqz s SER 58 CO 0.02 -0.97 1.77 0.71 1.20 0.00 0.00 173.24 175.96 1jqz h THR 59 N 5.79 1.27 -0.13 6.45 1.35 -1.49 0.23 112.91 126.38 1jqz h THR 59 Ca -0.28 -1.30 -0.06 0.00 -0.55 0.00 0.00 66.41 64.22 1jqz h THR 59 Cb 1.11 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1jqz h THR 59 CO 1.00 0.39 -0.14 -0.08 -0.25 0.00 0.00 175.52 176.44 1jqz h GLU 60 N 0.19 0.32 0.00 4.72 4.57 -1.81 -3.37 114.58 119.20 1jqz h GLU 60 Ca 0.02 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1jqz h GLU 60 Cb 0.68 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1jqz h GLU 60 CO 0.05 0.73 -1.64 0.25 -1.18 0.00 0.00 179.01 177.22 1jqz n THR 61 N -4.58 0.00 -0.41 0.32 -2.24 -1.22 -4.99 114.28 101.17 1jqz n THR 61 Ca -0.06 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1jqz n THR 61 Cb 0.36 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.57 1.45 3.79 3.38 0.00 0.80 -5.02 105.19 111.18 1jqz n GLY 62 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.27 3.35 -0.01 1.61 -0.21 -1.26 -4.72 119.66 118.15 1jqz s GLN 63 Ca 0.00 1.29 -0.00 0.00 0.02 0.00 0.00 55.36 56.67 1jqz s GLN 63 Cb 0.00 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 1jqz s GLN 63 CO 0.00 -0.80 0.06 0.71 -2.12 0.00 0.00 175.29 173.15 1jqz s TYR 64 N -2.29 3.25 0.25 0.91 1.51 0.20 -0.99 117.35 120.18 1jqz s TYR 64 Ca 0.66 0.19 -0.30 0.00 -1.01 0.00 0.00 57.07 56.61 1jqz s TYR 64 Cb -0.17 -1.73 -0.09 0.00 -0.11 0.00 0.00 41.96 39.86 1jqz s TYR 64 CO 0.33 0.53 1.24 -1.17 -1.11 0.00 0.00 175.55 175.38 1jqz s LEU 65 N -1.66 4.46 0.05 -1.29 2.96 0.43 -0.06 118.68 123.58 1jqz s LEU 65 Ca 0.22 2.42 -0.05 0.00 -0.22 0.00 0.00 54.13 56.49 1jqz s LEU 65 Cb -0.12 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1jqz s LEU 65 CO 0.13 -0.41 0.09 0.00 -1.32 0.00 0.00 176.35 174.84 1jqz s ALA 66 N -0.56 0.02 -0.13 5.97 0.00 0.28 -4.35 121.76 123.00 1jqz s ALA 66 Ca 0.51 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 1jqz s ALA 66 Cb -0.36 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1jqz s ALA 66 CO 0.43 -0.38 -0.08 1.41 0.00 0.00 0.00 175.76 177.14 1jqz s MET 67 N -3.19 1.59 1.01 0.00 1.75 -0.66 -0.54 119.30 119.27 1jqz s MET 67 Ca -0.00 -0.34 -0.17 0.00 -1.25 0.00 0.00 55.69 53.93 1jqz s MET 67 Cb 0.02 -1.73 0.22 0.00 2.84 0.00 0.00 34.83 36.18 1jqz s MET 67 CO -0.07 -0.30 1.28 0.16 -0.65 0.00 0.00 175.02 175.44 1jqz s ASP 68 N 1.67 2.65 0.16 1.11 1.47 -0.56 -4.81 116.67 118.36 1jqz s ASP 68 Ca 0.04 0.35 0.17 0.00 1.18 0.00 0.00 52.55 54.29 1jqz s ASP 68 Cb -0.13 -0.44 0.76 0.00 -0.34 0.00 0.00 42.92 42.77 1jqz s ASP 68 CO -0.08 -3.03 1.52 0.35 0.68 0.00 0.00 175.17 174.60 1jqz n THR 69 N -3.98 1.10 1.19 2.11 -2.24 -1.26 -0.56 114.28 110.65 1jqz n THR 69 Ca 0.15 0.38 0.12 0.00 -2.27 0.00 0.00 64.05 62.43 1jqz n THR 69 Cb 0.59 -1.28 0.26 0.00 -2.10 0.00 0.00 70.33 67.80 1jqz n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jqz n ASP 70 N -1.92 1.67 0.00 3.42 8.00 -1.26 -4.94 116.55 121.52 1jqz n ASP 70 Ca 0.01 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.18 1jqz n ASP 70 Cb 0.14 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 1.33 0.62 3.80 0.44 0.00 0.28 -4.60 105.19 107.06 1jqz n GLY 71 Ca 0.13 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 0.42 0.99 2.01 -1.26 0.70 118.68 125.90 1jqz s LEU 72 Ca 0.00 0.64 -0.21 0.00 0.01 0.00 0.00 54.13 54.56 1jqz s LEU 72 Cb 0.00 -2.35 -0.11 0.00 0.01 0.00 0.00 46.19 43.74 1jqz s LEU 72 CO 0.00 0.26 0.96 -0.76 1.01 0.00 0.00 176.35 177.82 1jqz s LEU 73 N -0.44 3.97 0.19 1.79 1.43 -1.26 -1.49 118.68 122.88 1jqz s LEU 73 Ca 0.18 1.73 -0.22 0.00 -1.03 0.00 0.00 54.13 54.79 1jqz s LEU 73 Cb -0.14 -4.48 0.05 0.00 0.03 0.00 0.00 46.19 41.65 1jqz s LEU 73 CO 0.07 -0.37 0.62 -0.72 0.23 0.00 0.00 176.35 176.18 1jqz s TYR 74 N -2.10 -0.41 -0.25 0.29 1.13 0.30 -4.59 117.35 111.72 1jqz s TYR 74 Ca 0.61 0.13 -0.18 0.00 -1.41 0.00 0.00 57.07 56.22 1jqz s TYR 74 Cb -0.11 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1jqz s TYR 74 CO 0.15 -0.95 0.51 0.20 -2.51 0.00 0.00 175.55 172.95 1jqz s GLY 75 N -2.80 1.90 -0.06 5.49 0.00 -0.06 -0.56 107.32 111.23 1jqz s GLY 75 Ca 0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 1jqz s GLY 75 CO -0.07 1.19 0.14 -0.45 0.00 0.00 0.00 173.10 173.90 1jqz s SER 76 N 1.44 6.20 0.46 1.64 0.15 0.92 -4.77 113.70 119.74 1jqz s SER 76 Ca 0.22 0.35 0.24 0.00 0.70 0.00 0.00 55.95 57.46 1jqz s SER 76 Cb -0.16 -1.94 1.08 0.00 -1.71 0.00 0.00 66.02 63.30 1jqz s SER 76 CO 0.09 0.33 1.91 1.56 1.20 0.00 0.00 173.24 178.33 1jqz h GLN 77 N 4.40 0.00 -5.24 5.44 1.08 -1.92 0.58 115.11 119.45 1jqz h GLN 77 Ca -0.51 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.30 1jqz h GLN 77 Cb 1.20 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.44 1jqz h GLN 77 CO 0.63 0.21 -0.76 0.95 -0.95 0.00 0.00 178.83 178.91 1jqz s THR 78 N -3.87 1.11 -1.03 -0.54 -4.23 -1.26 -4.84 115.64 100.99 1jqz s THR 78 Ca -0.01 -1.50 -0.18 0.00 -1.18 0.00 0.00 61.69 58.82 1jqz s THR 78 Cb 0.12 -1.25 0.12 0.00 1.34 0.00 0.00 72.50 72.82 1jqz s THR 78 CO 0.63 -0.37 1.29 -2.16 -0.54 0.00 0.00 174.62 173.46 1jqz s PRO 79 N -2.26 3.72 0.01 3.99 0.04 -1.26 -4.78 135.00 134.45 1jqz s PRO 79 Ca 0.03 -1.82 0.00 0.00 0.04 0.00 0.00 61.00 59.24 1jqz s PRO 79 Cb -0.07 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1jqz s PRO 79 CO 0.02 -1.88 0.00 0.27 0.04 0.00 0.00 177.00 175.45 1jqz n ASN 80 N 6.92 1.26 -0.02 6.66 0.23 -1.26 -4.95 115.26 124.10 1jqz n ASN 80 Ca 0.30 -1.02 0.23 0.00 -0.53 0.00 0.00 54.58 53.55 1jqz n ASN 80 Cb 0.48 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.90 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 0.15 114.58 113.03 1jqz h GLU 81 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jqz h GLU 81 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jqz h GLU 81 CO 0.01 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.48 1jqz n GLU 82 N -4.13 0.26 0.00 1.06 1.02 -1.26 -3.52 120.64 114.07 1jqz n GLU 82 Ca 0.11 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.39 1jqz n GLU 82 Cb 0.71 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.66 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 -2.18 4.24 0.11 0.00 1.43 -1.23 -4.48 118.68 116.58 1jqz s LEU 84 Ca 0.20 0.96 0.09 0.00 -1.03 0.00 0.00 54.13 54.35 1jqz s LEU 84 Cb 0.17 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1jqz s LEU 84 CO 0.44 -0.14 -0.23 -0.36 0.23 0.00 0.00 176.35 176.29 1jqz s PHE 85 N 1.14 2.00 -0.48 0.29 0.40 -0.42 -0.93 117.98 119.98 1jqz s PHE 85 Ca 0.31 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 56.04 1jqz s PHE 85 Cb -0.16 -1.10 0.04 0.00 0.51 0.00 0.00 43.02 42.30 1jqz s PHE 85 CO 0.13 0.24 0.68 -0.51 0.70 0.00 0.00 175.22 176.46 1jqz s LEU 86 N -1.89 4.60 -0.34 -0.37 1.43 0.14 -0.64 118.68 121.62 1jqz s LEU 86 Ca 0.09 -0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 1jqz s LEU 86 Cb -0.10 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1jqz s LEU 86 CO 0.05 -0.88 0.77 -0.70 0.23 0.00 0.00 176.35 175.82 1jqz s GLU 87 N 2.90 3.85 0.13 1.70 2.12 -0.48 -1.57 118.70 127.35 1jqz s GLU 87 Ca 0.21 0.42 0.06 0.00 0.36 0.00 0.00 54.97 56.02 1jqz s GLU 87 Cb -0.16 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 1jqz s GLU 87 CO 0.17 -0.76 -0.14 1.03 -0.54 0.00 0.00 175.26 175.02 1jqz s ARG 88 N 3.00 1.05 0.35 4.30 1.81 -0.35 -4.68 118.95 124.44 1jqz s ARG 88 Ca 0.31 -1.27 -0.25 0.00 -1.72 0.00 0.00 55.73 52.79 1jqz s ARG 88 Cb -0.14 -0.92 -0.10 0.00 -0.45 0.00 0.00 34.95 33.35 1jqz s ARG 88 CO 0.15 0.17 0.98 -1.17 -0.68 0.00 0.00 175.30 174.75 1jqz s LEU 89 N -2.54 4.26 0.00 2.53 2.96 -0.11 -0.26 118.68 125.51 1jqz s LEU 89 Ca 0.10 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 1jqz s LEU 89 Cb -0.04 -4.09 -0.00 0.00 0.50 0.00 0.00 46.19 42.56 1jqz s LEU 89 CO 0.03 -0.22 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.14 1jqz s GLU 90 N -2.25 0.00 -1.27 1.98 2.56 0.01 -4.81 118.70 114.92 1jqz s GLU 90 Ca 0.53 -0.00 -0.05 0.00 0.00 0.00 0.00 54.97 55.45 1jqz s GLU 90 Cb -0.19 -0.00 0.03 0.00 2.00 0.00 0.00 34.13 35.97 1jqz s GLU 90 CO 0.25 0.00 0.34 0.39 -0.56 0.00 0.00 175.26 175.68 1jqz n GLU 91 N 3.07 -3.27 -2.09 4.30 1.02 -1.26 -0.84 120.64 121.57 1jqz n GLU 91 Ca -0.12 0.61 -0.17 0.00 -0.02 0.00 0.00 57.16 57.46 1jqz n GLU 91 Cb 0.60 -5.31 -0.03 0.00 -0.02 0.00 0.00 31.44 26.68 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 -2.17 -4.76 0.02 1.62 4.13 -1.26 -4.63 115.26 108.21 1jqz n ASN 92 Ca -0.08 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1jqz n ASN 92 Cb 0.58 -4.10 0.00 0.00 -1.54 0.00 0.00 39.78 34.72 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 -3.14 -2.01 -2.23 3.10 -0.00 -0.02 -5.15 115.22 105.77 1jqz n HIS 93 Ca -0.19 0.11 -0.27 0.00 -0.00 0.00 0.00 57.72 57.37 1jqz n HIS 93 Cb 0.62 0.73 0.16 0.00 -0.00 0.00 0.00 29.99 31.49 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 -2.00 1.40 -0.07 1.57 2.02 -0.40 -4.81 117.35 115.07 1jqz s TYR 94 Ca 0.00 -0.00 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 1jqz s TYR 94 Cb 0.00 -3.68 -0.02 0.00 -0.40 0.00 0.00 41.96 37.86 1jqz s TYR 94 CO 0.00 -2.35 -0.14 -0.80 -1.57 0.00 0.00 175.55 170.69 1jqz s ASN 95 N -4.87 4.05 0.16 2.29 -0.87 0.66 -0.81 114.94 115.56 1jqz s ASN 95 Ca 0.72 -0.22 0.10 0.00 -1.57 0.00 0.00 52.86 51.89 1jqz s ASN 95 Cb -0.04 -1.07 -0.04 0.00 -0.02 0.00 0.00 41.25 40.08 1jqz s ASN 95 CO 0.50 0.30 -0.23 0.42 -2.57 0.00 0.00 177.10 175.51 1jqz s THR 96 N -0.44 2.15 -0.21 1.60 -4.23 0.63 -1.15 115.64 113.99 1jqz s THR 96 Ca 0.05 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1jqz s THR 96 Cb -0.12 -1.97 0.06 0.00 1.34 0.00 0.00 72.50 71.81 1jqz s THR 96 CO 0.02 -0.11 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.66 1jqz s TYR 97 N -1.56 1.80 -0.15 3.99 2.02 -1.26 -1.21 117.35 120.98 1jqz s TYR 97 Ca 0.17 -1.34 -0.07 0.00 -0.37 0.00 0.00 57.07 55.46 1jqz s TYR 97 Cb -0.08 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 1jqz s TYR 97 CO 0.08 -0.70 0.10 0.42 -1.57 0.00 0.00 175.55 173.88 1jqz s ILE 98 N 1.60 5.12 0.07 2.71 1.01 -0.61 -0.99 121.20 130.12 1jqz s ILE 98 Ca -0.03 0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.38 1jqz s ILE 98 Cb -0.18 -3.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.93 1jqz s ILE 98 CO -0.07 0.54 1.92 -0.24 0.00 0.00 0.00 174.94 177.09 1jqz n SER 99 N 2.68 4.09 -0.06 3.58 2.88 -0.30 0.24 113.62 126.74 1jqz n SER 99 Ca -0.18 0.94 -0.11 0.00 -1.33 0.00 0.00 58.87 58.19 1jqz n SER 99 Cb 0.54 -1.53 -0.04 0.00 -0.75 0.00 0.00 64.21 62.42 1jqz n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jqz h LYS 100 N 9.73 0.33 -0.86 -1.46 3.64 -1.36 0.53 116.57 127.13 1jqz h LYS 100 Ca -0.48 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 58.90 1jqz h LYS 100 Cb 1.23 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 1jqz h LYS 100 CO 0.94 0.45 0.51 -0.22 -2.27 0.00 0.00 179.45 178.86 1jqz h LYS 101 N 0.16 0.86 -0.62 1.90 3.64 -1.77 -2.31 116.57 118.43 1jqz h LYS 101 Ca 0.07 -0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.11 1jqz h LYS 101 Cb 0.26 -0.19 -0.17 0.00 -0.41 0.00 0.00 32.23 31.72 1jqz h LYS 101 CO -0.00 0.57 0.23 0.72 -2.27 0.00 0.00 179.45 178.70 1jqz n HIS 102 N -4.68 1.96 -0.28 1.91 8.25 -1.17 -4.72 115.22 116.49 1jqz n HIS 102 Ca 0.14 -1.55 0.08 0.00 -0.26 0.00 0.00 57.72 56.12 1jqz n HIS 102 Cb 0.24 -0.66 0.22 0.00 1.12 0.00 0.00 29.99 30.92 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 1.35 1.20 0.00 -1.41 0.00 -0.29 0.14 119.26 120.25 1jqz h ALA 103 Ca 0.35 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1jqz h ALA 103 Cb 2.15 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1jqz h ALA 103 CO 0.67 -0.21 0.00 1.05 0.00 0.00 0.00 179.25 180.76 1jqz h GLU 104 N 0.47 0.00 -0.01 0.00 9.09 -1.84 -1.25 114.58 121.04 1jqz h GLU 104 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 1jqz h GLU 104 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1jqz h GLU 104 CO -0.43 0.00 -0.36 1.63 0.05 0.00 0.00 179.01 179.90 1jqz n LYS 105 N -3.08 0.71 -3.50 1.06 5.02 0.47 -4.96 118.16 113.89 1jqz n LYS 105 Ca -0.02 -0.46 -0.19 0.00 -2.02 0.00 0.00 58.31 55.62 1jqz n LYS 105 Cb 0.12 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.72 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 -0.75 -2.64 -4.63 4.39 4.13 -0.47 -4.97 115.26 110.32 1jqz n ASN 106 Ca 0.10 -0.63 -0.38 0.00 1.68 0.00 0.00 54.58 55.35 1jqz n ASN 106 Cb 0.36 -4.97 -0.09 0.00 -1.54 0.00 0.00 39.78 33.55 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 -3.39 3.30 0.27 3.10 0.51 -1.25 -4.47 118.94 117.01 1jqz s TRP 107 Ca 0.10 0.42 0.10 0.00 -2.12 0.00 0.00 56.10 54.60 1jqz s TRP 107 Cb -0.05 -2.49 -0.04 0.00 -0.81 0.00 0.00 33.47 30.08 1jqz s TRP 107 CO 0.74 -0.10 -0.03 -0.06 -0.51 0.00 0.00 176.95 176.99 1jqz s PHE 108 N 1.63 2.64 0.11 -1.98 0.40 -1.26 -1.15 117.98 118.37 1jqz s PHE 108 Ca 0.14 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 1jqz s PHE 108 Cb -0.15 -1.17 -0.06 0.00 0.51 0.00 0.00 43.02 42.15 1jqz s PHE 108 CO 0.08 0.63 1.01 0.08 0.70 0.00 0.00 175.22 177.73 1jqz s VAL 109 N -2.35 4.37 0.10 -0.44 1.01 -0.16 -4.52 120.40 118.42 1jqz s VAL 109 Ca 0.31 1.93 -0.23 0.00 0.00 0.00 0.00 61.98 63.99 1jqz s VAL 109 Cb -0.06 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.15 1jqz s VAL 109 CO 0.19 0.28 0.57 -0.83 0.00 0.00 0.00 175.10 175.31 1jqz s GLY 110 N 0.17 -0.53 -0.04 4.51 0.00 -1.26 -4.49 107.32 105.67 1jqz s GLY 110 Ca 0.49 0.58 0.05 0.00 0.00 0.00 0.00 44.72 45.84 1jqz s GLY 110 CO 0.31 0.26 -0.20 1.08 0.00 0.00 0.00 173.10 174.55 1jqz s LEU 111 N -2.34 1.97 0.83 0.66 1.43 -0.41 -0.99 118.68 119.83 1jqz s LEU 111 Ca -0.02 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 1jqz s LEU 111 Cb -0.00 -1.09 0.09 0.00 0.03 0.00 0.00 46.19 45.22 1jqz s LEU 111 CO -0.07 0.19 1.14 -0.54 0.23 0.00 0.00 176.35 177.30 1jqz s LYS 112 N -0.06 1.81 0.48 1.70 1.02 0.14 -4.48 119.74 120.34 1jqz s LYS 112 Ca -0.03 0.32 0.13 0.00 0.02 0.00 0.00 55.97 56.41 1jqz s LYS 112 Cb -0.12 -1.91 1.11 0.00 -0.52 0.00 0.00 37.83 36.39 1jqz s LYS 112 CO 0.02 -1.74 2.11 0.87 -0.92 0.00 0.00 175.35 175.69 1jqz h LYS 113 N -1.17 0.22 -0.03 1.68 1.57 -1.86 -0.47 116.57 116.51 1jqz h LYS 113 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1jqz h LYS 113 Cb 1.31 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1jqz h LYS 113 CO 0.63 0.14 0.00 0.27 -0.57 0.00 0.00 179.45 179.92 1jqz n ASN 114 N -4.51 0.40 0.00 0.86 0.23 -1.26 -4.57 115.26 106.41 1jqz n ASN 114 Ca 0.00 -1.38 0.00 0.00 -0.53 0.00 0.00 54.58 52.67 1jqz n ASN 114 Cb 0.10 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 0.92 0.94 3.88 4.83 0.00 -0.18 -5.01 105.19 110.57 1jqz n GLY 115 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.03 6.54 0.55 1.61 1.04 -1.26 -1.12 113.70 118.03 1jqz s SER 116 Ca 0.00 1.01 -0.18 0.00 0.48 0.00 0.00 55.95 57.26 1jqz s SER 116 Cb 0.00 -2.27 -0.06 0.00 0.10 0.00 0.00 66.02 63.80 1jqz s SER 116 CO 0.00 -0.28 1.05 0.00 0.98 0.00 0.00 173.24 174.99 1jqz s LYS 118 N -3.74 3.62 -0.05 0.00 1.02 -0.16 -4.74 119.74 115.70 1jqz s LYS 118 Ca 0.65 0.36 -0.06 0.00 0.02 0.00 0.00 55.97 56.94 1jqz s LYS 118 Cb -0.16 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 1jqz s LYS 118 CO 0.30 -0.21 0.21 1.03 -0.92 0.00 0.00 175.35 175.76 1jqz s ARG 119 N -4.54 3.51 0.24 1.68 0.52 -1.26 -4.65 118.95 114.45 1jqz s ARG 119 Ca 0.50 -0.13 -0.15 0.00 -0.52 0.00 0.00 55.73 55.43 1jqz s ARG 119 Cb -0.10 -3.14 0.29 0.00 0.52 0.00 0.00 34.95 32.52 1jqz s ARG 119 CO 0.42 0.71 1.56 0.78 0.02 0.00 0.00 175.30 178.79 1jqz h GLY 120 N 4.38 0.25 1.73 -3.53 0.00 0.04 0.39 103.07 106.33 1jqz h GLY 120 Ca -0.52 0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1jqz h GLY 120 CO 0.63 -0.25 0.11 -2.55 0.00 0.00 0.00 176.54 174.48 1jqz h PRO 121 N -0.01 0.00 -0.46 4.80 0.11 -1.83 0.21 132.00 134.82 1jqz h PRO 121 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1jqz h PRO 121 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1jqz h PRO 121 CO -0.96 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.37 1jqz n ARG 122 N -3.71 2.31 -4.09 1.05 5.12 0.12 -4.92 116.66 112.54 1jqz n ARG 122 Ca -0.01 -2.02 -0.22 0.00 -1.93 0.00 0.00 57.85 53.67 1jqz n ARG 122 Cb 0.21 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 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 -1.40 4.56 -0.13 0.55 -4.23 0.06 -4.89 115.64 110.16 1jqz s THR 123 Ca 0.38 -1.33 -0.33 0.00 -1.18 0.00 0.00 61.69 59.24 1jqz s THR 123 Cb 0.21 -3.45 0.13 0.00 1.34 0.00 0.00 72.50 70.72 1jqz s THR 123 CO 0.28 -0.33 1.10 -1.38 -0.54 0.00 0.00 174.62 173.76 1jqz s HIS 124 N -2.08 -0.20 0.48 3.99 -3.43 -1.26 -4.85 115.29 107.94 1jqz s HIS 124 Ca 0.33 0.12 -0.24 0.00 -0.80 0.00 0.00 55.06 54.48 1jqz s HIS 124 Cb -0.08 0.52 -0.07 0.00 -1.43 0.00 0.00 32.58 31.52 1jqz s HIS 124 CO 0.25 -0.32 1.33 0.66 -2.00 0.00 0.00 174.74 174.66 1jqz n TYR 125 N -0.14 2.27 0.00 0.38 4.01 -1.26 -2.73 117.16 119.70 1jqz n TYR 125 Ca -0.03 0.46 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 1jqz n TYR 125 Cb 0.59 -2.38 0.00 0.00 -0.31 0.00 0.00 39.34 37.24 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 0.76 1.89 3.87 2.72 0.00 -1.26 -5.08 105.19 108.09 1jqz n GLY 126 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.86 3.68 0.05 1.61 -0.21 -1.10 -4.98 119.66 117.85 1jqz s GLN 127 Ca 0.00 0.67 0.10 0.00 0.02 0.00 0.00 55.36 56.15 1jqz s GLN 127 Cb 0.00 -2.18 -0.21 0.00 1.00 0.00 0.00 33.01 31.63 1jqz s GLN 127 CO 0.00 -0.38 0.99 0.87 -2.12 0.00 0.00 175.29 174.64 1jqz h LYS 128 N 0.21 0.00 -0.03 2.91 1.79 -1.97 -3.34 116.57 116.14 1jqz h LYS 128 Ca -0.45 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1jqz h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1jqz h LYS 128 CO 0.62 0.72 0.03 0.00 -1.08 0.00 0.00 179.45 179.74 1jqz h ALA 129 N 1.04 1.66 -0.00 3.86 0.00 -1.94 -2.28 119.26 121.59 1jqz h ALA 129 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1jqz h ALA 129 Cb 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1jqz h ALA 129 CO 0.10 -0.05 -0.37 0.44 0.00 0.00 0.00 179.25 179.38 1jqz n ILE 130 N -3.97 0.00 -3.01 0.00 -5.35 -1.25 -1.29 119.36 104.49 1jqz n ILE 130 Ca -0.02 -0.04 -0.40 0.00 -0.27 0.00 0.00 62.75 62.01 1jqz n ILE 130 Cb 0.12 0.21 -0.05 0.00 -1.74 0.00 0.00 39.64 38.18 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 -2.82 4.21 0.14 7.28 1.43 -0.86 -4.46 118.68 123.60 1jqz s LEU 131 Ca 0.16 1.08 0.09 0.00 -1.03 0.00 0.00 54.13 54.43 1jqz s LEU 131 Cb 0.18 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1jqz s LEU 131 CO 0.62 -0.27 -0.21 -0.36 0.23 0.00 0.00 176.35 176.36 1jqz s PHE 132 N 1.66 1.90 -0.13 0.29 0.40 -0.30 -1.85 117.98 119.95 1jqz s PHE 132 Ca 0.35 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1jqz s PHE 132 Cb -0.17 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1jqz s PHE 132 CO 0.14 0.30 -0.10 -1.17 0.70 0.00 0.00 175.22 175.08 1jqz s LEU 133 N -2.34 1.40 0.26 -0.37 2.96 0.34 -0.25 118.68 120.69 1jqz s LEU 133 Ca 0.13 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.36 1jqz s LEU 133 Cb -0.08 -0.98 -0.09 0.00 0.50 0.00 0.00 46.19 45.54 1jqz s LEU 133 CO 0.06 -0.09 1.09 -2.16 -1.32 0.00 0.00 176.35 173.93 1jqz s PRO 134 N 1.58 4.64 0.07 0.98 0.04 -1.26 -0.58 135.00 140.47 1jqz s PRO 134 Ca 0.04 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.88 1jqz s PRO 134 Cb -0.13 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1jqz s PRO 134 CO -0.09 0.20 -0.09 -0.51 0.04 0.00 0.00 177.00 176.55 1jqz s LEU 135 N -1.21 2.34 0.47 -3.56 1.43 0.25 -4.93 118.68 113.46 1jqz s LEU 135 Ca 0.45 -0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 1jqz s LEU 135 Cb -0.31 -0.22 -0.08 0.00 0.03 0.00 0.00 46.19 45.61 1jqz s LEU 135 CO 0.39 -0.25 1.08 -2.16 0.23 0.00 0.00 176.35 175.64 1jqz s PRO 136 N -2.26 3.79 0.00 1.29 0.04 -1.26 -0.05 135.00 136.55 1jqz s PRO 136 Ca -0.02 1.51 0.18 0.00 0.04 0.00 0.00 61.00 62.71 1jqz s PRO 136 Cb -0.06 -2.23 1.08 0.00 0.04 0.00 0.00 34.50 33.33 1jqz s PRO 136 CO -0.00 -0.47 1.48 1.33 0.04 0.00 0.00 177.00 179.38