#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqo n ASN 2 N 0.00 -7.89 -4.46 7.83 5.15 -1.26 -4.94 115.26 109.69 2jqo n ASN 2 Ca 0.00 0.41 -0.44 0.00 -0.60 0.00 0.00 54.58 53.95 2jqo n ASN 2 Cb 0.00 -5.36 -0.06 0.00 -0.53 0.00 0.00 39.78 33.83 2jqo n ASN 2 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2jqo s LYS 3 N -2.68 3.16 -0.13 1.20 2.20 -1.26 -5.01 119.74 117.22 2jqo s LYS 3 Ca 0.20 -0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 2jqo s LYS 3 Cb -0.05 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 2jqo s LYS 3 CO 0.76 -1.26 1.68 -0.80 -0.36 0.00 0.00 175.35 175.37 2jqo s ASN 4 N 2.71 6.48 0.79 1.43 0.01 -1.26 -4.72 114.94 120.37 2jqo s ASN 4 Ca 0.18 1.98 0.00 0.00 -0.71 0.00 0.00 52.86 54.31 2jqo s ASN 4 Cb -0.18 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.95 2jqo s ASN 4 CO 0.13 -1.12 0.00 -0.62 -1.51 0.00 0.00 177.10 173.98 2jqo n GLU 5 N 7.44 0.00 -0.11 -0.60 1.02 -1.26 -4.51 120.64 122.62 2jqo n GLU 5 Ca 0.19 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.14 2jqo n GLU 5 Cb 0.44 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.76 2jqo n GLU 5 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2jqo n GLN 6 N -0.50 0.52 -3.99 3.49 7.27 -1.26 -4.91 117.38 118.00 2jqo n GLN 6 Ca 0.00 0.15 -0.31 0.00 0.07 0.00 0.00 57.00 56.92 2jqo n GLN 6 Cb 0.00 -1.39 -0.16 0.00 2.41 0.00 0.00 30.24 31.10 2jqo n GLN 6 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2jqo s ASN 7 N -6.41 3.84 0.99 1.69 2.47 -1.26 -5.12 114.94 111.13 2jqo s ASN 7 Ca -0.30 -1.13 -0.17 0.00 0.42 0.00 0.00 52.86 51.69 2jqo s ASN 7 Cb 0.09 -1.29 0.21 0.00 -1.45 0.00 0.00 41.25 38.81 2jqo s ASN 7 CO 0.47 -0.19 1.31 -0.83 -3.72 0.00 0.00 177.10 174.13 2jqo s GLY 8 N 1.32 1.77 0.12 1.21 0.00 -1.26 -5.05 107.32 105.43 2jqo s GLY 8 Ca -0.05 -1.20 -0.15 0.00 0.00 0.00 0.00 44.72 43.32 2jqo s GLY 8 CO -0.07 -0.40 0.54 -0.35 0.00 0.00 0.00 173.10 172.82 2jqo s ASP 9 N -4.80 6.87 0.17 1.64 2.15 -1.26 -4.98 116.67 116.46 2jqo s ASP 9 Ca 0.74 1.10 0.09 0.00 0.43 0.00 0.00 52.55 54.91 2jqo s ASP 9 Cb -0.04 -2.30 -0.06 0.00 -0.30 0.00 0.00 42.92 40.22 2jqo s ASP 9 CO 0.53 0.15 1.37 -0.33 -0.17 0.00 0.00 175.17 176.72 2jqo h GLU 10 N 3.82 0.00 -6.28 4.34 5.08 -2.07 -3.44 114.58 116.03 2jqo h GLU 10 Ca -0.49 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.31 2jqo h GLU 10 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2jqo h GLU 10 CO 0.65 0.86 1.08 0.99 -1.00 0.00 0.00 179.01 181.59 2jqo s THR 11 N -2.91 3.80 0.20 1.13 2.01 -1.26 -4.99 115.64 113.62 2jqo s THR 11 Ca 0.01 0.91 -0.21 0.00 0.31 0.00 0.00 61.69 62.71 2jqo s THR 11 Cb 0.10 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.76 2jqo s THR 11 CO 0.80 -0.29 0.72 -0.54 -0.69 0.00 0.00 174.62 174.63 2jqo s LYS 12 N 4.44 4.32 0.24 4.92 1.02 -1.26 -5.05 119.74 128.37 2jqo s LYS 12 Ca 0.68 0.93 -0.30 0.00 0.02 0.00 0.00 55.97 57.30 2jqo s LYS 12 Cb -0.24 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 33.98 2jqo s LYS 12 CO 0.27 0.46 0.93 -1.64 -0.92 0.00 0.00 175.35 174.45 2jqo s MET 13 N -1.71 4.84 -0.31 1.68 -1.94 -1.26 -5.01 119.30 115.59 2jqo s MET 13 Ca 0.40 1.47 -0.24 0.00 -1.71 0.00 0.00 55.69 55.60 2jqo s MET 13 Cb -0.18 -3.28 0.00 0.00 2.01 0.00 0.00 34.83 33.38 2jqo s MET 13 CO 0.22 0.52 0.84 -0.65 -0.01 0.00 0.00 175.02 175.95 2jqo s GLN 14 N -1.18 3.96 -0.13 2.03 -0.21 -1.18 -4.94 119.66 118.01 2jqo s GLN 14 Ca 0.41 0.65 -0.25 0.00 0.02 0.00 0.00 55.36 56.19 2jqo s GLN 14 Cb -0.26 -3.74 -0.02 0.00 1.00 0.00 0.00 33.01 29.99 2jqo s GLN 14 CO 0.32 -0.74 0.80 -1.12 -2.12 0.00 0.00 175.29 172.43 2jqo s SER 15 N 1.65 6.98 -0.20 5.90 0.01 -1.26 -2.42 113.70 124.36 2jqo s SER 15 Ca 0.35 1.19 -0.01 0.00 1.31 0.00 0.00 55.95 58.79 2jqo s SER 15 Cb -0.14 -2.45 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2jqo s SER 15 CO 0.13 -0.31 -0.14 -0.22 0.41 0.00 0.00 173.24 173.12 2jqo s LEU 16 N 1.72 2.44 -0.24 2.44 1.98 0.88 -4.98 118.68 122.93 2jqo s LEU 16 Ca 0.38 -0.54 -0.12 0.00 -2.89 0.00 0.00 54.13 50.96 2jqo s LEU 16 Cb -0.17 -1.59 -0.05 0.00 0.66 0.00 0.00 46.19 45.05 2jqo s LEU 16 CO 0.15 -0.00 0.23 -0.69 -1.89 0.00 0.00 176.35 174.14 2jqo s VAL 17 N 1.35 5.30 0.26 1.68 1.01 -1.26 -1.16 120.40 127.58 2jqo s VAL 17 Ca 0.05 0.32 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 2jqo s VAL 17 Cb -0.14 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2jqo s VAL 17 CO -0.09 0.29 0.64 -0.83 0.00 0.00 0.00 175.10 175.11 2jqo s GLY 18 N 1.23 0.09 -0.08 4.51 0.00 -1.06 -4.64 107.32 107.38 2jqo s GLY 18 Ca 0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 2jqo s GLY 18 CO 0.07 -0.25 0.03 -0.19 0.00 0.00 0.00 173.10 172.76 2jqo s TYR 19 N -3.94 3.24 -0.37 1.90 2.02 0.37 -1.18 117.35 119.39 2jqo s TYR 19 Ca 0.14 0.24 -0.23 0.00 -0.37 0.00 0.00 57.07 56.86 2jqo s TYR 19 Cb -0.04 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 2jqo s TYR 19 CO 0.07 0.52 0.77 0.08 -1.57 0.00 0.00 175.55 175.43 2jqo s VAL 20 N -0.96 4.73 -0.12 0.71 1.01 0.62 -0.44 120.40 125.95 2jqo s VAL 20 Ca 0.15 0.81 -0.00 0.00 0.00 0.00 0.00 61.98 62.94 2jqo s VAL 20 Cb -0.12 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 2jqo s VAL 20 CO 0.04 -0.46 -0.12 1.33 0.00 0.00 0.00 175.10 175.90 2jqo n VAL 21 N 5.82 0.70 -4.21 2.92 0.24 -0.93 0.19 118.33 123.06 2jqo n VAL 21 Ca 0.03 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 61.95 2jqo n VAL 21 Cb 0.48 -1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 31.72 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jqo s LEU 22 N -5.84 2.51 0.13 1.34 1.43 -1.08 -4.44 118.68 112.73 2jqo s LEU 22 Ca -0.17 -1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 51.82 2jqo s LEU 22 Cb 0.05 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.08 2jqo s LEU 22 CO 0.27 -0.41 0.27 -1.59 0.23 0.00 0.00 176.35 175.12 2jqo s LYS 23 N -3.80 1.02 0.00 1.70 -2.85 -1.26 -0.21 119.74 114.33 2jqo s LYS 23 Ca 0.14 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 2jqo s LYS 23 Cb 0.04 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 2jqo s LYS 23 CO -0.02 -0.36 0.00 -3.47 0.10 0.00 0.00 175.35 171.60 2jqo n ASP 24 N -0.15 0.00 -0.03 0.03 2.03 -0.40 -4.92 116.55 113.11 2jqo n ASP 24 Ca -0.12 -0.47 -0.15 0.00 0.52 0.00 0.00 54.79 54.57 2jqo n ASP 24 Cb 0.63 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.91 2jqo n ASP 24 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2jqo h ASN 25 N 0.00 0.21 0.09 1.67 2.35 -2.02 -3.38 115.58 114.51 2jqo h ASN 25 Ca 0.00 -0.78 -0.17 0.00 -0.55 0.00 0.00 56.30 54.80 2jqo h ASN 25 Cb 0.00 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2jqo h ASN 25 CO 0.00 0.96 -0.84 -0.33 -1.65 0.00 0.00 177.43 175.57 2jqo h GLU 26 N -0.52 0.20 -4.46 0.81 4.39 -1.97 -3.46 114.58 109.56 2jqo h GLU 26 Ca -0.03 -0.34 -0.19 0.00 0.34 0.00 0.00 59.36 59.14 2jqo h GLU 26 Cb 0.99 0.13 -0.15 0.00 -0.10 0.00 0.00 28.75 29.62 2jqo h GLU 26 CO 0.05 1.16 -0.66 1.03 -1.16 0.00 0.00 179.01 179.43 2jqo s ARG 27 N -2.39 0.87 0.16 2.33 0.52 -1.26 -1.14 118.95 118.03 2jqo s ARG 27 Ca -0.18 -1.39 0.09 0.00 -0.52 0.00 0.00 55.73 53.74 2jqo s ARG 27 Cb 0.01 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 2jqo s ARG 27 CO 0.77 -0.18 -0.16 0.00 0.02 0.00 0.00 175.30 175.75 2jqo s ALA 28 N -3.91 2.77 -0.30 2.13 0.00 0.85 -1.27 121.76 122.03 2jqo s ALA 28 Ca 0.18 -1.45 -0.06 0.00 0.00 0.00 0.00 51.96 50.63 2jqo s ALA 28 Cb 0.07 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2jqo s ALA 28 CO -0.02 0.52 0.07 0.42 0.00 0.00 0.00 175.76 176.75 2jqo s ILE 29 N -1.46 3.81 0.02 0.00 1.01 0.70 -0.94 121.20 124.33 2jqo s ILE 29 Ca 0.21 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2jqo s ILE 29 Cb -0.09 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 2jqo s ILE 29 CO 0.12 0.05 -0.13 -0.76 0.00 0.00 0.00 174.94 174.22 2jqo s LEU 30 N 1.46 2.85 -0.26 2.97 1.43 -0.16 -2.19 118.68 124.78 2jqo s LEU 30 Ca 0.02 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 2jqo s LEU 30 Cb -0.18 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2jqo s LEU 30 CO 0.02 0.28 0.13 -0.63 0.23 0.00 0.00 176.35 176.37 2jqo s ILE 31 N -0.93 4.84 -1.31 -0.59 1.01 0.41 -0.19 121.20 124.46 2jqo s ILE 31 Ca 0.15 0.01 0.28 0.00 0.00 0.00 0.00 60.65 61.09 2jqo s ILE 31 Cb -0.11 -3.28 0.26 0.00 0.01 0.00 0.00 42.46 39.34 2jqo s ILE 31 CO 0.06 0.30 1.74 0.35 0.00 0.00 0.00 174.94 177.38 2jqo n THR 32 N 4.90 0.00 -2.95 2.92 -2.24 -0.18 -0.48 114.28 116.26 2jqo n THR 32 Ca -0.15 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 2jqo n THR 32 Cb 0.52 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 2jqo n THR 32 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jqo s ASP 33 N -2.76 6.31 0.00 3.42 -1.08 -1.22 -4.88 116.67 116.46 2jqo s ASP 33 Ca 0.20 0.78 0.24 0.00 -0.52 0.00 0.00 52.55 53.25 2jqo s ASP 33 Cb 0.19 -2.18 0.44 0.00 -1.46 0.00 0.00 42.92 39.91 2jqo s ASP 33 CO 0.55 -0.44 1.40 0.35 0.52 0.00 0.00 175.17 177.56 2jqo n THR 34 N -1.89 0.23 -2.68 1.71 -2.24 -1.26 -4.77 114.28 103.37 2jqo n THR 34 Ca -0.01 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 2jqo n THR 34 Cb 0.55 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 2jqo n THR 34 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2jqo s LYS 35 N -1.77 3.67 0.07 -0.78 2.20 -1.26 -5.01 119.74 116.86 2jqo s LYS 35 Ca 0.34 0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 56.09 2jqo s LYS 35 Cb 0.21 -3.91 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2jqo s LYS 35 CO 0.31 -1.30 1.06 0.00 -0.36 0.00 0.00 175.35 175.05 2jqo s ALA 36 N 4.17 3.28 0.82 3.13 0.00 -1.26 -5.03 121.76 126.87 2jqo s ALA 36 Ca 0.44 0.69 -0.10 0.00 0.00 0.00 0.00 51.96 52.98 2jqo s ALA 36 Cb -0.08 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.76 2jqo s ALA 36 CO 0.29 -0.25 1.10 -1.25 0.00 0.00 0.00 175.76 175.66 2jqo s PRO 37 N 0.60 1.85 0.68 0.00 0.04 -1.26 -5.06 135.00 131.86 2jqo s PRO 37 Ca 0.53 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.85 2jqo s PRO 37 Cb -0.25 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.57 2jqo s PRO 37 CO 0.30 -1.95 0.94 0.20 0.04 0.00 0.00 177.00 176.53 2jqo s GLY 38 N -3.21 1.73 0.24 0.56 0.00 -1.26 -4.94 107.32 100.44 2jqo s GLY 38 Ca 0.63 -2.01 -0.06 0.00 0.00 0.00 0.00 44.72 43.28 2jqo s GLY 38 CO 0.57 -1.44 1.87 1.70 0.00 0.00 0.00 173.10 175.80 2jqo h LYS 39 N -0.30 1.02 0.00 2.90 3.11 -2.00 -0.94 116.57 120.37 2jqo h LYS 39 Ca -0.32 -0.06 -0.08 0.00 -2.81 0.00 0.00 60.65 57.38 2jqo h LYS 39 Cb 1.27 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 32.26 2jqo h LYS 39 CO 0.38 0.68 -0.38 0.93 -2.81 0.00 0.00 179.45 178.26 2jqo h GLU 40 N 1.05 0.00 -0.24 1.90 5.08 -1.99 -2.20 114.58 118.18 2jqo h GLU 40 Ca 0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 2jqo h GLU 40 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jqo h GLU 40 CO -0.14 0.38 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.62 2jqo h ASP 41 N 0.00 0.42 0.89 1.42 3.32 -1.55 -0.57 116.42 120.34 2jqo h ASP 41 Ca -0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2jqo h ASP 41 Cb 0.79 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2jqo h ASP 41 CO 0.05 0.62 0.00 -1.22 -1.72 0.00 0.00 179.24 176.97 2jqo n TYR 42 N -4.18 0.76 0.09 4.55 4.01 -0.85 -1.99 117.16 119.55 2jqo n TYR 42 Ca -0.00 0.28 0.07 0.00 -0.16 0.00 0.00 57.90 58.09 2jqo n TYR 42 Cb 0.35 -0.95 -0.02 0.00 -0.31 0.00 0.00 39.34 38.41 2jqo n TYR 42 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 2jqo h ASN 43 N 0.00 0.00 -4.16 7.72 2.35 -0.94 -3.47 115.58 117.09 2jqo h ASN 43 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 2jqo h ASN 43 Cb 0.44 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.90 2jqo h ASN 43 CO 0.00 0.22 0.40 -0.76 -1.65 0.00 0.00 177.43 175.64 2jqo s LEU 44 N -5.58 3.53 0.67 1.61 1.43 -0.62 -5.04 118.68 114.68 2jqo s LEU 44 Ca -0.01 2.07 -0.09 0.00 -1.03 0.00 0.00 54.13 55.07 2jqo s LEU 44 Cb 0.09 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.77 2jqo s LEU 44 CO 0.79 -1.47 1.02 -0.94 0.23 0.00 0.00 176.35 175.98 2jqo s SER 45 N -2.27 5.35 0.19 2.29 1.04 -1.26 -4.84 113.70 114.21 2jqo s SER 45 Ca 0.69 0.87 -0.16 0.00 0.48 0.00 0.00 55.95 57.83 2jqo s SER 45 Cb -0.22 -1.70 0.16 0.00 0.10 0.00 0.00 66.02 64.36 2jqo s SER 45 CO 0.36 -1.31 1.63 -0.33 0.98 0.00 0.00 173.24 174.57 2jqo h GLU 46 N -0.50 -0.06 -0.14 4.02 3.07 -1.96 0.00 114.58 119.01 2jqo h GLU 46 Ca -0.45 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.42 2jqo h GLU 46 Cb 1.27 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 2jqo h GLU 46 CO 0.62 -0.04 0.06 0.78 -1.40 0.00 0.00 179.01 179.03 2jqo h GLY 47 N -0.06 0.18 1.79 -3.84 0.00 -1.99 -0.70 103.07 98.45 2jqo h GLY 47 Ca 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 2jqo h GLY 47 CO -0.57 0.03 -0.10 1.46 0.00 0.00 0.00 176.54 177.36 2jqo h GLN 48 N 0.13 0.27 -0.44 4.80 1.08 -1.78 -0.91 115.11 118.25 2jqo h GLN 48 Ca 0.06 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 2jqo h GLN 48 Cb 0.02 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2jqo h GLN 48 CO -0.05 0.38 -0.10 1.25 -0.95 0.00 0.00 178.83 179.36 2jqo h LEU 49 N 0.25 0.86 -1.27 1.46 5.85 -0.51 -2.52 115.31 119.43 2jqo h LEU 49 Ca 0.05 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 2jqo h LEU 49 Cb 0.35 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2jqo h LEU 49 CO 0.02 1.02 -0.22 0.24 -0.34 0.00 0.00 178.44 179.16 2jqo h MET 50 N 0.68 0.22 -0.36 1.25 2.86 -0.38 0.24 114.93 119.44 2jqo h MET 50 Ca 0.11 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2jqo h MET 50 Cb 0.64 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2jqo h MET 50 CO 0.04 0.44 -0.14 -0.91 1.06 0.00 0.00 176.91 177.40 2jqo h ASN 51 N 0.21 0.64 0.00 1.22 2.35 -0.96 -2.36 115.58 116.67 2jqo h ASN 51 Ca 0.04 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 2jqo h ASN 51 Cb 0.51 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2jqo h ASN 51 CO 0.03 0.80 -0.26 0.50 -1.65 0.00 0.00 177.43 176.86 2jqo h LYS 52 N 0.59 0.00 -1.51 0.81 3.64 -0.98 -3.34 116.57 115.78 2jqo h LYS 52 Ca 0.10 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.08 2jqo h LYS 52 Cb 0.58 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.24 2jqo h LYS 52 CO 0.04 0.55 0.49 1.19 -2.27 0.00 0.00 179.45 179.45 2jqo n PHE 53 N -4.64 1.81 -1.73 1.91 3.72 0.02 -4.96 117.46 113.60 2jqo n PHE 53 Ca -0.10 -2.13 -0.42 0.00 -0.05 0.00 0.00 57.45 54.75 2jqo n PHE 53 Cb 0.33 -1.09 -0.03 0.00 -0.94 0.00 0.00 39.48 37.75 2jqo n PHE 53 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2jqo s LYS 54 N -2.13 4.14 0.00 -1.08 2.20 -0.89 -0.53 119.74 121.45 2jqo s LYS 54 Ca 0.40 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.58 2jqo s LYS 54 Cb 0.30 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2jqo s LYS 54 CO -0.04 -0.84 0.00 0.09 -0.36 0.00 0.00 175.35 174.20 2jqo n ASN 55 N 5.75 -1.97 -0.11 1.43 4.13 -1.26 -4.76 115.26 118.47 2jqo n ASN 55 Ca 0.18 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.46 2jqo n ASN 55 Cb 0.38 -1.21 0.05 0.00 -1.54 0.00 0.00 39.78 37.47 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jqo n ASN 56 N -0.17 2.22 -4.06 6.41 5.03 0.31 -5.00 115.26 120.00 2jqo n ASN 56 Ca 0.00 -2.21 -0.23 0.00 0.87 0.00 0.00 54.58 53.01 2jqo n ASN 56 Cb 0.09 -0.11 -0.16 0.00 -1.02 0.00 0.00 39.78 38.57 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2jqo s ILE 57 N -1.36 1.11 -0.06 2.41 2.07 -0.88 -1.01 121.20 123.48 2jqo s ILE 57 Ca 0.09 -0.52 0.04 0.00 -1.41 0.00 0.00 60.65 58.85 2jqo s ILE 57 Cb 0.07 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.68 2jqo s ILE 57 CO 0.03 0.33 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.51 2jqo s VAL 58 N 0.25 1.60 -0.48 4.00 1.01 0.74 -4.16 120.40 123.36 2jqo s VAL 58 Ca -0.06 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 2jqo s VAL 58 Cb -0.11 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 34.95 2jqo s VAL 58 CO 0.02 0.46 0.44 -0.63 0.00 0.00 0.00 175.10 175.39 2jqo s ILE 59 N 0.24 5.17 -0.16 2.22 1.01 -0.40 -0.99 121.20 128.29 2jqo s ILE 59 Ca -0.10 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 2jqo s ILE 59 Cb -0.14 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2jqo s ILE 59 CO 0.04 -0.64 0.38 0.68 0.00 0.00 0.00 174.94 175.41 2jqo s VAL 60 N 1.82 5.24 -0.18 2.92 -7.23 -0.12 -1.09 120.40 121.76 2jqo s VAL 60 Ca 0.06 0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 60.67 2jqo s VAL 60 Cb -0.24 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 32.98 2jqo s VAL 60 CO 0.07 0.33 1.01 -0.83 -0.31 0.00 0.00 175.10 175.38 2jqo s GLY 61 N 0.67 1.95 -0.20 2.32 0.00 0.15 -0.11 107.32 112.09 2jqo s GLY 61 Ca 0.20 0.23 0.01 0.00 0.00 0.00 0.00 44.72 45.17 2jqo s GLY 61 CO 0.07 2.06 1.49 1.04 0.00 0.00 0.00 173.10 177.76 2jqo n LEU 62 N 5.80 4.86 0.26 0.66 4.77 -0.29 -2.34 117.00 130.72 2jqo n LEU 62 Ca 0.10 -2.52 0.11 0.00 -0.03 0.00 0.00 56.01 53.68 2jqo n LEU 62 Cb 0.47 -0.71 0.70 0.00 -2.33 0.00 0.00 43.42 41.56 2jqo n LEU 62 CO 0.52 0.81 0.98 0.28 -1.33 0.00 0.00 177.39 178.65 2jqo h SER 63 N 0.58 0.00 -0.02 -1.43 0.02 -1.85 -0.63 113.55 110.23 2jqo h SER 63 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2jqo h SER 63 Cb 1.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2jqo h SER 63 CO 0.50 0.11 -0.23 1.21 -1.14 0.00 0.00 176.83 177.29 2jqo n GLU 64 N -3.85 1.57 -3.89 3.45 4.07 -1.26 -4.78 120.64 115.96 2jqo n GLU 64 Ca -0.02 -1.08 -0.30 0.00 -0.06 0.00 0.00 57.16 55.70 2jqo n GLU 64 Cb 0.21 -1.31 -0.14 0.00 -0.06 0.00 0.00 31.44 30.15 2jqo n GLU 64 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2jqo s ILE 65 N -1.78 2.24 -0.63 6.31 -1.09 -0.24 -4.91 121.20 121.09 2jqo s ILE 65 Ca 0.16 -3.01 0.14 0.00 -2.23 0.00 0.00 60.65 55.71 2jqo s ILE 65 Cb 0.14 -2.57 0.73 0.00 -1.58 0.00 0.00 42.46 39.18 2jqo s ILE 65 CO 0.35 -0.80 1.62 -0.67 -1.23 0.00 0.00 174.94 174.21 2jqo n ASP 66 N 3.35 5.03 -0.04 3.58 2.03 -1.25 -4.14 116.55 125.11 2jqo n ASP 66 Ca 0.06 -2.69 0.04 0.00 0.52 0.00 0.00 54.79 52.72 2jqo n ASP 66 Cb 0.34 -0.63 0.06 0.00 -0.72 0.00 0.00 41.12 40.16 2jqo n ASP 66 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2jqo n ASN 67 N 0.75 2.03 -1.13 1.67 3.02 -1.26 -4.81 115.26 115.53 2jqo n ASN 67 Ca 0.25 -2.42 0.00 0.00 -0.03 0.00 0.00 54.58 52.38 2jqo n ASN 67 Cb 1.02 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 2jqo n ASN 67 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jqo n THR 68 N -0.86 1.24 0.59 3.41 -1.04 -1.26 -3.52 114.28 112.83 2jqo n THR 68 Ca 0.07 -0.12 0.12 0.00 -2.04 0.00 0.00 64.05 62.07 2jqo n THR 68 Cb 0.43 -1.12 0.15 0.00 -1.82 0.00 0.00 70.33 67.97 2jqo n THR 68 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2jqo n ASP 69 N 0.76 0.67 0.07 8.00 2.03 -1.26 -3.49 116.55 123.33 2jqo n ASP 69 Ca 0.00 0.05 -0.04 0.00 0.52 0.00 0.00 54.79 55.31 2jqo n ASP 69 Cb 0.49 0.28 -0.08 0.00 -0.72 0.00 0.00 41.12 41.09 2jqo n ASP 69 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 2jqo h ASP 70 N 0.00 0.00 -2.27 1.67 2.03 -2.00 -3.44 116.42 112.42 2jqo h ASP 70 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 2jqo h ASP 70 Cb 0.73 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.26 2jqo h ASP 70 CO 0.00 0.85 1.08 -0.11 -1.03 0.00 0.00 179.24 180.03 2jqo n LEU 71 N -3.26 3.70 -4.92 0.15 7.94 -1.23 -5.00 117.00 114.39 2jqo n LEU 71 Ca -0.02 0.98 -0.20 0.00 -1.11 0.00 0.00 56.01 55.66 2jqo n LEU 71 Cb 0.90 -1.46 -0.01 0.00 0.53 0.00 0.00 43.42 43.37 2jqo n LEU 71 CO 0.45 0.02 0.06 -0.54 -1.11 0.00 0.00 177.39 176.27 2jqo s LYS 72 N 3.21 2.59 0.17 1.96 1.02 -1.26 -5.05 119.74 122.39 2jqo s LYS 72 Ca 0.87 -1.48 -0.19 0.00 0.02 0.00 0.00 55.97 55.19 2jqo s LYS 72 Cb -0.58 -2.49 -0.08 0.00 -0.52 0.00 0.00 37.83 34.17 2jqo s LYS 72 CO 0.43 -0.26 0.66 1.03 -0.92 0.00 0.00 175.35 176.29 2jqo s ARG 73 N -4.22 4.21 -0.16 1.68 0.52 -1.26 -4.16 118.95 115.56 2jqo s ARG 73 Ca 0.50 0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 56.49 2jqo s ARG 73 Cb -0.05 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.42 2jqo s ARG 73 CO 0.30 0.48 0.14 0.41 0.02 0.00 0.00 175.30 176.64 2jqo n GLY 74 N 1.02 0.69 1.80 -3.53 0.00 0.13 -5.00 105.19 100.29 2jqo n GLY 74 Ca -0.05 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 2jqo n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqo n GLU 75 N -1.11 1.12 -3.95 1.61 1.02 -0.81 -4.94 120.64 113.58 2jqo n GLU 75 Ca -0.01 -1.84 -0.21 0.00 -0.02 0.00 0.00 57.16 55.08 2jqo n GLU 75 Cb 0.51 0.69 -0.17 0.00 -0.02 0.00 0.00 31.44 32.45 2jqo n GLU 75 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2jqo s LYS 76 N -2.88 0.68 0.27 3.49 2.20 -1.26 -0.28 119.74 121.96 2jqo s LYS 76 Ca 0.04 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.68 2jqo s LYS 76 Cb 0.00 -0.87 -0.05 0.00 -1.51 0.00 0.00 37.83 35.41 2jqo s LYS 76 CO 0.03 -0.19 0.12 0.96 -0.36 0.00 0.00 175.35 175.91 2jqo s ILE 77 N 1.41 0.41 -0.17 5.43 -5.25 -0.32 -1.83 121.20 120.87 2jqo s ILE 77 Ca -0.04 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 57.60 2jqo s ILE 77 Cb -0.13 -2.58 0.05 0.00 2.95 0.00 0.00 42.46 42.75 2jqo s ILE 77 CO -0.03 0.00 0.03 -0.75 -1.79 0.00 0.00 174.94 172.41 2jqo s LYS 78 N -3.98 0.60 0.19 0.37 2.20 -0.92 -2.55 119.74 115.64 2jqo s LYS 78 Ca 0.37 -0.31 0.06 0.00 -0.36 0.00 0.00 55.97 55.74 2jqo s LYS 78 Cb 0.07 -1.90 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 2jqo s LYS 78 CO 0.15 -0.59 0.11 0.14 -0.36 0.00 0.00 175.35 174.80 2jqo s VAL 79 N 1.90 4.25 -0.09 4.02 -7.23 -0.31 -0.74 120.40 122.21 2jqo s VAL 79 Ca 0.00 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 2jqo s VAL 79 Cb -0.16 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.59 2jqo s VAL 79 CO -0.08 -0.17 -0.20 0.26 -0.31 0.00 0.00 175.10 174.60 2jqo s TRP 80 N -1.84 2.21 0.30 2.82 0.51 0.54 -0.08 118.94 123.40 2jqo s TRP 80 Ca 0.30 -0.86 -0.01 0.00 -2.12 0.00 0.00 56.10 53.41 2jqo s TRP 80 Cb -0.09 -1.50 0.01 0.00 -0.81 0.00 0.00 33.47 31.07 2jqo s TRP 80 CO 0.22 -0.36 0.42 1.97 -0.51 0.00 0.00 176.95 178.70 2jqo n PHE 81 N 3.55 -1.30 0.00 -1.98 1.16 -1.01 -0.51 117.46 117.36 2jqo n PHE 81 Ca -0.20 -2.05 0.00 0.00 -1.87 0.00 0.00 57.45 53.33 2jqo n PHE 81 Cb 0.53 0.47 0.00 0.00 -1.61 0.00 0.00 39.48 38.87 2jqo n PHE 81 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 2jqo n HIS 82 N -0.50 -0.06 -2.78 2.97 8.25 -1.26 -3.10 115.22 118.73 2jqo n HIS 82 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2jqo n HIS 82 Cb 0.51 0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.84 2jqo n HIS 82 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2jqo s THR 83 N -1.51 4.68 0.04 1.59 2.01 -1.26 -5.03 115.64 116.16 2jqo s THR 83 Ca 0.00 1.57 -0.00 0.00 0.31 0.00 0.00 61.69 63.57 2jqo s THR 83 Cb 0.00 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2jqo s THR 83 CO 0.00 -0.30 -0.03 0.00 -0.69 0.00 0.00 174.62 173.60 2jqo s ARG 84 N 3.23 0.48 -0.10 4.92 1.70 -1.26 -1.31 118.95 126.62 2jqo s ARG 84 Ca 0.39 -0.93 0.03 0.00 -0.47 0.00 0.00 55.73 54.75 2jqo s ARG 84 Cb -0.14 0.12 0.01 0.00 -0.57 0.00 0.00 34.95 34.37 2jqo s ARG 84 CO 0.12 -0.07 -0.20 0.15 -1.08 0.00 0.00 175.30 174.21 2jqo s LYS 85 N -2.70 2.68 -1.27 3.89 1.02 0.23 -4.98 119.74 118.62 2jqo s LYS 85 Ca -0.04 -0.75 -0.05 0.00 0.02 0.00 0.00 55.97 55.15 2jqo s LYS 85 Cb -0.01 -2.09 0.12 0.00 -0.52 0.00 0.00 37.83 35.33 2jqo s LYS 85 CO -0.05 0.10 2.39 0.39 -0.92 0.00 0.00 175.35 177.26 2jqo n GLU 86 N 3.71 4.52 0.19 1.68 1.02 -1.26 -0.95 120.64 129.55 2jqo n GLU 86 Ca -0.20 -3.44 0.08 0.00 -0.02 0.00 0.00 57.16 53.58 2jqo n GLU 86 Cb 0.52 -2.60 0.15 0.00 -0.02 0.00 0.00 31.44 29.49 2jqo n GLU 86 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jqo h SER 87 N 4.50 0.00 -4.10 1.62 4.64 -1.93 -3.47 113.55 114.81 2jqo h SER 87 Ca 0.69 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 2jqo h SER 87 Cb 0.32 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.35 2jqo h SER 87 CO 1.44 0.22 -0.85 0.59 -0.87 0.00 0.00 176.83 177.35 2jqo n ASN 88 N -3.17 -2.08 -4.77 4.97 5.03 -1.26 -4.88 115.26 109.10 2jqo n ASN 88 Ca 0.03 0.83 -0.37 0.00 0.87 0.00 0.00 54.58 55.94 2jqo n ASN 88 Cb 0.60 -3.44 -0.00 0.00 -1.02 0.00 0.00 39.78 35.92 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 2jqo s PRO 89 N -0.90 3.66 0.33 3.52 0.02 -1.26 -5.10 135.00 135.27 2jqo s PRO 89 Ca -0.13 1.79 -0.29 0.00 0.02 0.00 0.00 61.00 62.39 2jqo s PRO 89 Cb 0.01 -2.35 -0.11 0.00 0.02 0.00 0.00 34.50 32.07 2jqo s PRO 89 CO 0.36 -0.64 1.52 -2.14 -0.33 0.00 0.00 177.00 175.77 2jqo s PRO 90 N -2.78 4.14 0.05 5.54 0.02 -1.26 -4.78 135.00 135.93 2jqo s PRO 90 Ca 0.65 2.53 0.07 0.00 0.02 0.00 0.00 61.00 64.28 2jqo s PRO 90 Cb -0.29 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 2jqo s PRO 90 CO 0.35 -0.55 -0.17 -1.12 -0.33 0.00 0.00 177.00 175.18 2jqo s SER 91 N 0.14 3.85 -0.12 2.53 0.01 -0.12 -1.27 113.70 118.73 2jqo s SER 91 Ca 0.57 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 57.34 2jqo s SER 91 Cb -0.46 -0.62 0.05 0.00 0.21 0.00 0.00 66.02 65.20 2jqo s SER 91 CO 0.55 0.24 0.27 0.00 0.41 0.00 0.00 173.24 174.71 2jqo s ALA 92 N -0.97 -0.64 -0.40 1.44 0.00 -0.25 0.78 121.76 121.72 2jqo s ALA 92 Ca 0.15 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.93 2jqo s ALA 92 Cb -0.11 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.31 2jqo s ALA 92 CO 0.06 -0.26 0.97 0.99 0.00 0.00 0.00 175.76 177.52 2jqo s THR 93 N 1.41 4.49 0.30 0.00 2.01 -0.42 0.31 115.64 123.74 2jqo s THR 93 Ca -0.08 1.13 -0.14 0.00 0.31 0.00 0.00 61.69 62.91 2jqo s THR 93 Cb -0.10 -4.41 -0.09 0.00 0.01 0.00 0.00 72.50 67.92 2jqo s THR 93 CO -0.09 -0.68 0.69 0.27 -0.69 0.00 0.00 174.62 174.12 2jqo s ILE 94 N 3.71 4.74 -0.23 1.82 -4.36 -0.99 -4.19 121.20 121.70 2jqo s ILE 94 Ca 0.40 0.84 -0.09 0.00 -0.26 0.00 0.00 60.65 61.54 2jqo s ILE 94 Cb -0.11 -3.62 -0.11 0.00 1.25 0.00 0.00 42.46 39.88 2jqo s ILE 94 CO 0.22 -0.15 -0.27 0.00 0.24 0.00 0.00 174.94 174.98 2jqo n GLN 95 N -0.28 0.49 -4.16 0.37 6.02 0.33 -4.11 117.38 116.04 2jqo n GLN 95 Ca 0.03 0.20 -0.10 0.00 -0.01 0.00 0.00 57.00 57.11 2jqo n GLN 95 Cb 0.53 -1.33 -0.10 0.00 1.02 0.00 0.00 30.24 30.36 2jqo n GLN 95 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jqo s LYS 96 N -2.42 0.92 0.05 -1.09 1.02 -1.16 -4.77 119.74 112.28 2jqo s LYS 96 Ca -0.31 -1.42 -0.27 0.00 0.02 0.00 0.00 55.97 53.99 2jqo s LYS 96 Cb 0.11 0.09 0.09 0.00 -0.52 0.00 0.00 37.83 37.60 2jqo s LYS 96 CO 0.42 -0.19 0.78 1.52 -0.92 0.00 0.00 175.35 176.95 2jqo s TYR 97 N -3.91 -0.43 -0.07 3.18 1.13 -1.26 -0.34 117.35 115.65 2jqo s TYR 97 Ca 0.21 0.32 0.05 0.00 -1.41 0.00 0.00 57.07 56.23 2jqo s TYR 97 Cb 0.07 0.54 -0.00 0.00 -1.10 0.00 0.00 41.96 41.46 2jqo s TYR 97 CO 0.00 -0.65 -0.23 -1.21 -2.51 0.00 0.00 175.55 170.95 2jqo s GLU 98 N -3.17 2.65 -0.50 -3.49 2.02 0.09 -4.99 118.70 111.30 2jqo s GLU 98 Ca 0.02 -0.84 -0.27 0.00 0.02 0.00 0.00 54.97 53.90 2jqo s GLU 98 Cb -0.01 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 32.13 2jqo s GLU 98 CO -0.09 0.26 1.07 -1.17 0.02 0.00 0.00 175.26 175.35 2jqo s LEU 99 N 0.11 3.75 -0.82 1.80 2.96 -1.26 -2.17 118.68 123.05 2jqo s LEU 99 Ca -0.11 0.23 -0.21 0.00 -0.22 0.00 0.00 54.13 53.82 2jqo s LEU 99 Cb -0.15 -3.31 0.10 0.00 0.50 0.00 0.00 46.19 43.32 2jqo s LEU 99 CO 0.06 -1.23 1.09 -0.76 -1.32 0.00 0.00 176.35 174.18 2jqo s LEU 100 N 4.29 4.61 -1.03 -0.68 1.43 -0.76 -4.96 118.68 121.59 2jqo s LEU 100 Ca 0.42 -1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 51.78 2jqo s LEU 100 Cb -0.08 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 43.78 2jqo s LEU 100 CO 0.28 -1.27 1.41 -0.22 0.23 0.00 0.00 176.35 176.78 2jqo s LEU 101 N 3.51 3.84 0.97 1.79 2.96 -1.26 -4.26 118.68 126.23 2jqo s LEU 101 Ca 0.29 -1.65 -0.11 0.00 -0.22 0.00 0.00 54.13 52.44 2jqo s LEU 101 Cb -0.10 -2.54 0.17 0.00 0.50 0.00 0.00 46.19 44.23 2jqo s LEU 101 CO -0.01 -1.39 1.10 -1.61 -1.32 0.00 0.00 176.35 173.11 2jqo s GLU 102 N 4.45 0.63 0.45 1.98 2.02 -1.26 -4.89 118.70 122.08 2jqo s GLU 102 Ca 0.44 1.15 0.18 0.00 0.02 0.00 0.00 54.97 56.76 2jqo s GLU 102 Cb -0.01 -1.71 1.06 0.00 0.10 0.00 0.00 34.13 33.58 2jqo s GLU 102 CO -0.09 -2.77 1.97 1.25 0.02 0.00 0.00 175.26 175.65 2jqo h HIS 103 N -1.95 0.00 -0.63 1.61 -0.00 -2.02 -1.18 115.15 110.98 2jqo h HIS 103 Ca -0.50 0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.01 2jqo h HIS 103 Cb 1.29 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.66 2jqo h HIS 103 CO 0.42 0.21 0.43 0.45 -0.00 0.00 0.00 177.93 179.45 2jqo h HIS 104 N 0.00 0.29 -0.00 5.26 -0.00 -1.92 -1.61 115.15 117.16 2jqo h HIS 104 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2jqo h HIS 104 Cb 0.41 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 2jqo h HIS 104 CO 0.00 0.12 -0.08 0.72 -0.00 0.00 0.00 177.93 178.69 2jqo n HIS 105 N -4.44 0.00 0.16 2.45 8.25 -0.45 -3.10 115.22 118.10 2jqo n HIS 105 Ca 0.12 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.62 2jqo n HIS 105 Cb 0.52 -0.37 0.16 0.00 1.12 0.00 0.00 29.99 31.42 2jqo n HIS 105 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jqo h HIS 106 N 0.08 0.00 -2.24 4.41 2.76 -1.34 -3.41 115.15 115.41 2jqo h HIS 106 Ca 0.00 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.81 2jqo h HIS 106 Cb 0.43 0.00 -0.34 0.00 1.55 0.00 0.00 27.41 29.05 2jqo h HIS 106 CO 0.00 0.43 -0.66 -1.01 -1.30 0.00 0.00 177.93 175.39 2jqo s HIS 107 N -3.21 -0.32 0.00 5.26 3.76 -1.18 -5.16 115.29 114.43 2jqo s HIS 107 Ca 0.03 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2jqo s HIS 107 Cb 0.09 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.25 2jqo s HIS 107 CO 0.72 -0.91 0.00 -2.39 -0.85 0.00 0.00 174.74 171.30