#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 0.69 -4.51 7.83 6.94 -1.26 -4.57 115.26 120.38 2jqo n ASN 2 Ca 0.00 0.30 -0.43 0.00 -0.02 0.00 0.00 54.58 54.44 2jqo n ASN 2 Cb 0.00 0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 37.81 2jqo n ASN 2 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2jqo s LYS 3 N -2.92 3.64 0.28 -3.83 1.02 -1.26 -5.00 119.74 111.67 2jqo s LYS 3 Ca -0.04 -1.54 -0.30 0.00 0.02 0.00 0.00 55.97 54.10 2jqo s LYS 3 Cb 0.09 -5.15 -0.11 0.00 -0.52 0.00 0.00 37.83 32.14 2jqo s LYS 3 CO 0.82 -1.99 1.53 -0.80 -0.92 0.00 0.00 175.35 173.99 2jqo s ASN 4 N 4.20 6.48 -0.11 2.83 0.02 -1.26 -4.85 114.94 122.25 2jqo s ASN 4 Ca 0.40 2.85 -0.40 0.00 -1.02 0.00 0.00 52.86 54.69 2jqo s ASN 4 Cb -0.02 -2.63 -0.17 0.00 0.02 0.00 0.00 41.25 38.44 2jqo s ASN 4 CO -0.08 -0.83 1.46 1.21 0.02 0.00 0.00 177.10 178.88 2jqo n GLU 5 N 2.13 0.85 -2.12 -0.60 2.13 -1.26 -4.81 120.64 116.96 2jqo n GLU 5 Ca 0.07 0.31 -0.31 0.00 0.66 0.00 0.00 57.16 57.89 2jqo n GLU 5 Cb 0.39 -1.93 -0.04 0.00 0.27 0.00 0.00 31.44 30.13 2jqo n GLU 5 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2jqo s GLN 6 N 1.72 2.70 -0.30 5.31 -0.44 -1.26 -4.77 119.66 122.62 2jqo s GLN 6 Ca 0.92 -0.18 -0.13 0.00 -2.50 0.00 0.00 55.36 53.47 2jqo s GLN 6 Cb -1.10 -4.91 0.18 0.00 -1.64 0.00 0.00 33.01 25.53 2jqo s GLN 6 CO 0.59 -3.07 1.08 1.21 0.50 0.00 0.00 175.29 175.59 2jqo s ASN 7 N 7.57 -0.39 0.00 6.67 2.47 -1.26 -4.96 114.94 125.04 2jqo s ASN 7 Ca 0.66 0.18 0.00 0.00 0.42 0.00 0.00 52.86 54.12 2jqo s ASN 7 Cb -0.07 1.30 0.00 0.00 -1.45 0.00 0.00 41.25 41.03 2jqo s ASN 7 CO 0.04 -0.07 0.00 0.61 -3.72 0.00 0.00 177.10 173.95 2jqo n GLY 8 N 5.38 1.78 3.78 1.21 0.00 -1.26 -5.10 105.19 110.98 2jqo n GLY 8 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2jqo n GLY 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jqo s ASP 9 N -2.00 7.36 -0.05 1.61 1.11 -1.26 -4.99 116.67 118.45 2jqo s ASP 9 Ca 0.00 1.80 -0.24 0.00 0.18 0.00 0.00 52.55 54.29 2jqo s ASP 9 Cb 0.00 -2.56 -0.19 0.00 1.07 0.00 0.00 42.92 41.24 2jqo s ASP 9 CO 0.00 -0.01 1.03 -0.33 1.18 0.00 0.00 175.17 177.04 2jqo h GLU 10 N 3.39 -0.11 -5.23 8.23 5.08 -2.05 -3.37 114.58 120.51 2jqo h GLU 10 Ca -0.47 0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.23 2jqo h GLU 10 Cb 1.19 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.31 2jqo h GLU 10 CO 0.65 0.41 0.99 0.99 -1.00 0.00 0.00 179.01 181.05 2jqo s THR 11 N -3.66 4.58 -0.56 1.13 2.01 -1.26 -4.97 115.64 112.91 2jqo s THR 11 Ca -0.15 -1.47 -0.28 0.00 0.31 0.00 0.00 61.69 60.11 2jqo s THR 11 Cb 0.01 -4.84 0.01 0.00 0.01 0.00 0.00 72.50 67.68 2jqo s THR 11 CO 0.58 -1.60 1.47 -0.54 -0.69 0.00 0.00 174.62 173.84 2jqo s LYS 12 N 3.09 3.24 0.25 4.92 1.02 -1.26 -5.00 119.74 126.00 2jqo s LYS 12 Ca 0.36 0.49 -0.15 0.00 0.02 0.00 0.00 55.97 56.68 2jqo s LYS 12 Cb -0.04 -4.15 -0.08 0.00 -0.52 0.00 0.00 37.83 33.04 2jqo s LYS 12 CO -0.09 -2.01 0.66 -1.64 -0.92 0.00 0.00 175.35 171.35 2jqo s MET 13 N 5.66 4.02 -0.35 1.68 -1.94 -1.26 -5.03 119.30 122.08 2jqo s MET 13 Ca 0.54 0.61 -0.26 0.00 -1.71 0.00 0.00 55.69 54.87 2jqo s MET 13 Cb -0.11 -2.68 0.01 0.00 2.01 0.00 0.00 34.83 34.06 2jqo s MET 13 CO 0.25 0.31 0.93 -1.14 -0.01 0.00 0.00 175.02 175.35 2jqo s GLN 14 N -2.50 3.90 -0.17 2.03 0.74 -0.52 -4.84 119.66 118.29 2jqo s GLN 14 Ca 0.47 0.67 -0.12 0.00 0.05 0.00 0.00 55.36 56.42 2jqo s GLN 14 Cb -0.13 -3.78 -0.05 0.00 1.10 0.00 0.00 33.01 30.15 2jqo s GLN 14 CO 0.19 -0.90 0.24 -1.54 -0.55 0.00 0.00 175.29 172.74 2jqo s SER 15 N 1.80 6.37 -0.06 6.67 1.04 -1.25 -0.69 113.70 127.58 2jqo s SER 15 Ca 0.38 0.42 0.02 0.00 0.48 0.00 0.00 55.95 57.26 2jqo s SER 15 Cb -0.12 -2.15 0.02 0.00 0.10 0.00 0.00 66.02 63.86 2jqo s SER 15 CO 0.17 0.14 -0.10 -0.22 0.98 0.00 0.00 173.24 174.20 2jqo s LEU 16 N 0.37 1.57 -0.23 2.42 1.98 0.27 -4.94 118.68 120.13 2jqo s LEU 16 Ca 0.14 -0.25 -0.15 0.00 -2.89 0.00 0.00 54.13 50.98 2jqo s LEU 16 Cb -0.12 -0.72 -0.04 0.00 0.66 0.00 0.00 46.19 45.97 2jqo s LEU 16 CO 0.02 0.01 0.36 -0.69 -1.89 0.00 0.00 176.35 174.16 2jqo s VAL 17 N 0.71 5.21 0.32 1.68 1.01 -1.26 -0.98 120.40 127.08 2jqo s VAL 17 Ca -0.14 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 2jqo s VAL 17 Cb -0.15 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2jqo s VAL 17 CO 0.03 0.23 0.47 -0.83 0.00 0.00 0.00 175.10 175.00 2jqo s GLY 18 N 1.24 1.30 -0.16 4.51 0.00 0.01 -4.67 107.32 109.56 2jqo s GLY 18 Ca 0.16 -1.40 -0.08 0.00 0.00 0.00 0.00 44.72 43.40 2jqo s GLY 18 CO 0.08 -0.94 0.11 -0.19 0.00 0.00 0.00 173.10 172.16 2jqo s TYR 19 N -3.25 3.44 -0.47 1.90 2.02 0.34 -0.33 117.35 121.00 2jqo s TYR 19 Ca 0.29 0.35 -0.24 0.00 -0.37 0.00 0.00 57.07 57.11 2jqo s TYR 19 Cb -0.00 -2.03 0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2jqo s TYR 19 CO 0.18 0.46 0.84 0.08 -1.57 0.00 0.00 175.55 175.54 2jqo s VAL 20 N -0.30 4.57 -0.19 0.71 1.01 0.15 -0.67 120.40 125.67 2jqo s VAL 20 Ca 0.10 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.64 2jqo s VAL 20 Cb -0.12 -4.38 -0.16 0.00 0.00 0.00 0.00 36.38 31.72 2jqo s VAL 20 CO 0.01 -0.80 -0.11 1.33 0.00 0.00 0.00 175.10 175.53 2jqo n VAL 21 N 6.23 1.18 -4.31 2.92 0.24 -0.97 0.97 118.33 124.58 2jqo n VAL 21 Ca 0.03 -0.54 -0.18 0.00 -2.04 0.00 0.00 64.34 61.62 2jqo n VAL 21 Cb 0.48 -1.02 -0.14 0.00 -1.47 0.00 0.00 33.84 31.69 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 -5.90 2.06 -0.04 1.34 1.43 -1.06 -4.40 118.68 112.12 2jqo s LEU 22 Ca -0.22 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2jqo s LEU 22 Cb 0.06 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.88 2jqo s LEU 22 CO 0.54 0.07 0.07 -0.75 0.23 0.00 0.00 176.35 176.52 2jqo s LYS 23 N -0.43 0.02 0.00 1.70 2.20 -1.26 -0.28 119.74 121.69 2jqo s LYS 23 Ca 0.02 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2jqo s LYS 23 Cb -0.04 -0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 2jqo s LYS 23 CO -0.00 -0.15 0.00 -0.25 -0.36 0.00 0.00 175.35 174.59 2jqo n ASP 24 N 4.09 0.00 -0.11 1.43 8.00 -0.11 -5.01 116.55 124.85 2jqo n ASP 24 Ca -0.26 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.07 2jqo n ASP 24 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 2jqo n ASP 24 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jqo n ASN 25 N 0.00 1.91 -0.16 -2.24 2.85 -1.26 -4.61 115.26 111.74 2jqo n ASN 25 Ca 0.00 0.33 0.13 0.00 -0.11 0.00 0.00 54.58 54.92 2jqo n ASN 25 Cb 0.00 -0.76 0.32 0.00 1.24 0.00 0.00 39.78 40.59 2jqo n ASN 25 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jqo n GLU 26 N -4.34 0.55 -3.72 1.20 1.02 -1.26 -4.71 120.64 109.39 2jqo n GLU 26 Ca -0.30 -0.33 -0.12 0.00 -0.02 0.00 0.00 57.16 56.39 2jqo n GLU 26 Cb 0.66 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.52 2jqo n GLU 26 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jqo s ARG 27 N -2.67 0.85 0.01 3.49 0.52 -1.26 0.35 118.95 120.25 2jqo s ARG 27 Ca 0.20 -0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 54.91 2jqo s ARG 27 Cb 0.19 0.37 -0.01 0.00 0.52 0.00 0.00 34.95 36.02 2jqo s ARG 27 CO 0.59 -0.28 0.03 0.00 0.02 0.00 0.00 175.30 175.66 2jqo s ALA 28 N -2.57 -0.05 -0.30 2.13 0.00 -0.65 -0.93 121.76 119.39 2jqo s ALA 28 Ca -0.05 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 2jqo s ALA 28 Cb -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2jqo s ALA 28 CO -0.03 -0.17 0.13 0.42 0.00 0.00 0.00 175.76 176.10 2jqo s ILE 29 N -1.36 4.46 0.15 0.00 1.01 0.62 -0.55 121.20 125.54 2jqo s ILE 29 Ca -0.15 -0.41 0.11 0.00 0.00 0.00 0.00 60.65 60.20 2jqo s ILE 29 Cb -0.09 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2jqo s ILE 29 CO -0.00 0.12 -0.23 -0.76 0.00 0.00 0.00 174.94 174.07 2jqo s LEU 30 N 1.60 2.49 -0.31 2.97 1.43 0.25 -2.29 118.68 124.82 2jqo s LEU 30 Ca 0.05 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 2jqo s LEU 30 Cb -0.17 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2jqo s LEU 30 CO 0.05 0.15 0.19 -0.63 0.23 0.00 0.00 176.35 176.35 2jqo s ILE 31 N -1.35 5.02 -2.24 -0.59 1.01 0.16 -0.64 121.20 122.57 2jqo s ILE 31 Ca 0.18 -0.20 0.30 0.00 0.00 0.00 0.00 60.65 60.93 2jqo s ILE 31 Cb -0.09 -3.52 0.73 0.00 0.01 0.00 0.00 42.46 39.58 2jqo s ILE 31 CO 0.09 0.09 1.98 0.35 0.00 0.00 0.00 174.94 177.45 2jqo n THR 32 N 5.05 0.00 -2.62 2.92 -2.24 -0.49 -0.50 114.28 116.40 2jqo n THR 32 Ca -0.13 -0.12 -0.05 0.00 -2.27 0.00 0.00 64.05 61.47 2jqo n THR 32 Cb 0.50 -0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.75 2jqo n THR 32 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jqo n ASP 33 N -0.42 0.38 -0.51 3.42 2.03 -1.26 -4.78 116.55 115.42 2jqo n ASP 33 Ca 0.21 -1.30 0.08 0.00 0.52 0.00 0.00 54.79 54.30 2jqo n ASP 33 Cb 0.23 -0.13 0.03 0.00 -0.72 0.00 0.00 41.12 40.54 2jqo n ASP 33 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jqo n THR 34 N -1.53 0.00 -2.98 5.18 -2.24 -1.26 -4.59 114.28 106.85 2jqo n THR 34 Ca 0.04 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 2jqo n THR 34 Cb 0.14 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.61 4.28 0.18 -0.78 2.20 -1.26 -5.05 119.74 117.69 2jqo s LYS 35 Ca 0.16 0.86 -0.15 0.00 -0.36 0.00 0.00 55.97 56.49 2jqo s LYS 35 Cb 0.13 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 32.82 2jqo s LYS 35 CO 0.30 -0.26 0.59 0.00 -0.36 0.00 0.00 175.35 175.62 2jqo s ALA 36 N 1.94 3.54 0.94 3.13 0.00 -1.26 -5.02 121.76 125.03 2jqo s ALA 36 Ca 0.35 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 2jqo s ALA 36 Cb -0.16 -2.58 0.16 0.00 0.00 0.00 0.00 23.12 20.54 2jqo s ALA 36 CO 0.12 0.43 1.09 -2.14 0.00 0.00 0.00 175.76 175.26 2jqo s PRO 37 N -2.10 0.86 0.67 0.00 0.02 -1.26 -5.06 135.00 128.12 2jqo s PRO 37 Ca 0.40 0.81 0.01 0.00 0.02 0.00 0.00 61.00 62.25 2jqo s PRO 37 Cb -0.15 -1.76 0.11 0.00 0.02 0.00 0.00 34.50 32.72 2jqo s PRO 37 CO 0.20 -2.51 0.93 0.20 -0.33 0.00 0.00 177.00 175.48 2jqo s GLY 38 N -3.29 1.77 0.20 0.52 0.00 -1.26 -4.94 107.32 100.32 2jqo s GLY 38 Ca 0.64 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 43.52 2jqo s GLY 38 CO 0.58 -1.23 1.69 1.70 0.00 0.00 0.00 173.10 175.84 2jqo h LYS 39 N -0.32 0.18 0.00 2.90 1.63 -2.00 -1.00 116.57 117.97 2jqo h LYS 39 Ca -0.36 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.35 2jqo h LYS 39 Cb 1.27 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 2jqo h LYS 39 CO 0.42 0.12 -0.37 0.93 -3.45 0.00 0.00 179.45 177.11 2jqo h GLU 40 N 0.19 0.00 -0.22 1.90 5.08 -1.97 -2.89 114.58 116.66 2jqo h GLU 40 Ca 0.29 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 2jqo h GLU 40 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2jqo h GLU 40 CO -0.42 0.37 -0.25 -0.44 -1.00 0.00 0.00 179.01 177.27 2jqo h ASP 41 N 0.00 0.42 0.72 1.42 3.32 -1.55 0.11 116.42 120.86 2jqo h ASP 41 Ca -0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2jqo h ASP 41 Cb 0.87 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2jqo h ASP 41 CO 0.05 0.67 0.00 -1.22 -1.72 0.00 0.00 179.24 177.02 2jqo n TYR 42 N -4.13 0.02 0.68 4.55 4.01 -1.02 -2.63 117.16 118.63 2jqo n TYR 42 Ca -0.00 0.01 0.07 0.00 -0.16 0.00 0.00 57.90 57.82 2jqo n TYR 42 Cb 0.40 -0.51 -0.01 0.00 -0.31 0.00 0.00 39.34 38.91 2jqo n TYR 42 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jqo n ASN 43 N -1.52 1.49 -4.80 7.72 4.13 0.11 -4.99 115.26 117.42 2jqo n ASN 43 Ca 0.05 -1.25 -0.30 0.00 1.68 0.00 0.00 54.58 54.76 2jqo n ASN 43 Cb 0.24 0.51 0.09 0.00 -1.54 0.00 0.00 39.78 39.08 2jqo n ASN 43 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jqo s LEU 44 N -2.03 2.69 0.46 3.41 1.43 0.15 -5.04 118.68 119.75 2jqo s LEU 44 Ca 0.12 1.39 -0.21 0.00 -1.03 0.00 0.00 54.13 54.40 2jqo s LEU 44 Cb 0.12 -4.04 -0.09 0.00 0.03 0.00 0.00 46.19 42.21 2jqo s LEU 44 CO 0.40 -1.92 1.02 -0.44 0.23 0.00 0.00 176.35 175.64 2jqo s SER 45 N -3.84 6.56 0.18 2.29 0.01 -1.26 -4.88 113.70 112.75 2jqo s SER 45 Ca 0.60 1.89 -0.17 0.00 1.31 0.00 0.00 55.95 59.58 2jqo s SER 45 Cb -0.15 -2.56 0.13 0.00 0.21 0.00 0.00 66.02 63.66 2jqo s SER 45 CO 0.55 -0.63 1.63 -0.33 0.41 0.00 0.00 173.24 174.87 2jqo h GLU 46 N 1.82 -0.07 -0.92 12.44 3.07 -1.96 -0.40 114.58 128.56 2jqo h GLU 46 Ca -0.49 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.39 2jqo h GLU 46 Cb 1.21 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.09 2jqo h GLU 46 CO 0.60 -0.05 0.61 0.78 -1.40 0.00 0.00 179.01 179.55 2jqo h GLY 47 N -0.08 1.30 1.01 -3.84 0.00 -1.98 0.86 103.07 100.34 2jqo h GLY 47 Ca 0.23 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 2jqo h GLY 47 CO -0.52 0.46 0.13 1.46 0.00 0.00 0.00 176.54 178.07 2jqo h GLN 48 N 1.23 0.93 -0.50 4.80 4.20 -1.52 -0.02 115.11 124.23 2jqo h GLN 48 Ca 0.34 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 2jqo h GLN 48 Cb -0.12 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 2jqo h GLN 48 CO -0.08 0.87 -0.11 1.25 -0.67 0.00 0.00 178.83 180.09 2jqo h LEU 49 N 0.83 0.94 -0.79 1.46 6.46 -0.58 -1.55 115.31 122.08 2jqo h LEU 49 Ca 0.18 -0.30 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 2jqo h LEU 49 Cb 0.37 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 2jqo h LEU 49 CO 0.00 1.06 0.38 0.24 -0.62 0.00 0.00 178.44 179.51 2jqo h MET 50 N 0.84 1.13 0.00 1.25 2.86 -0.40 0.16 114.93 120.78 2jqo h MET 50 Ca 0.13 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 2jqo h MET 50 Cb 0.65 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2jqo h MET 50 CO 0.05 0.87 -0.34 -0.91 1.06 0.00 0.00 176.91 177.64 2jqo h ASN 51 N 1.11 0.00 0.00 1.22 2.35 -0.80 -2.21 115.58 117.26 2jqo h ASN 51 Ca 0.27 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 2jqo h ASN 51 Cb 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 2jqo h ASN 51 CO -0.03 0.34 -0.15 0.50 -1.65 0.00 0.00 177.43 176.44 2jqo h LYS 52 N 0.00 0.00 -0.84 0.81 3.64 -0.65 -3.33 116.57 116.20 2jqo h LYS 52 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2jqo h LYS 52 Cb 0.89 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.64 2jqo h LYS 52 CO 0.04 0.55 0.16 1.19 -2.27 0.00 0.00 179.45 179.13 2jqo n PHE 53 N -4.66 1.58 -0.12 1.91 3.72 -0.01 -4.52 117.46 115.36 2jqo n PHE 53 Ca -0.08 -0.81 0.27 0.00 -0.05 0.00 0.00 57.45 56.78 2jqo n PHE 53 Cb 0.30 -0.49 0.72 0.00 -0.94 0.00 0.00 39.48 39.07 2jqo n PHE 53 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2jqo h LYS 54 N 1.81 0.00 -0.10 -1.08 3.64 -1.51 -0.44 116.57 118.89 2jqo h LYS 54 Ca 0.16 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2jqo h LYS 54 Cb 1.74 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 2jqo h LYS 54 CO 0.47 0.00 -0.26 -0.91 -2.27 0.00 0.00 179.45 176.47 2jqo h ASN 55 N 0.00 0.17 0.00 4.20 -0.26 -1.87 -3.33 115.58 114.49 2jqo h ASN 55 Ca 0.38 -0.05 -0.15 0.00 -0.56 0.00 0.00 56.30 55.92 2jqo h ASN 55 Cb 1.63 -0.05 -0.30 0.00 -1.06 0.00 0.00 38.32 38.54 2jqo h ASN 55 CO -0.00 0.44 -0.85 0.59 -1.06 0.00 0.00 177.43 176.55 2jqo n ASN 56 N -4.17 0.57 -4.79 5.81 3.02 -0.36 -5.08 115.26 110.26 2jqo n ASN 56 Ca -0.01 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.19 2jqo n ASN 56 Cb 0.36 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2jqo s ILE 57 N 0.00 5.29 -0.06 2.41 2.07 -0.32 -1.39 121.20 129.20 2jqo s ILE 57 Ca 0.25 0.52 0.01 0.00 -1.41 0.00 0.00 60.65 60.02 2jqo s ILE 57 Cb 0.28 -3.59 0.02 0.00 0.13 0.00 0.00 42.46 39.31 2jqo s ILE 57 CO -0.12 0.49 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.65 2jqo s VAL 58 N -0.28 0.69 -0.32 4.00 1.01 0.19 -4.10 120.40 121.60 2jqo s VAL 58 Ca 0.17 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 2jqo s VAL 58 Cb -0.14 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 2jqo s VAL 58 CO 0.06 0.27 0.43 -0.63 0.00 0.00 0.00 175.10 175.24 2jqo s ILE 59 N 1.10 5.11 0.00 2.22 1.01 -0.91 -0.59 121.20 129.14 2jqo s ILE 59 Ca -0.08 0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.85 2jqo s ILE 59 Cb -0.14 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 2jqo s ILE 59 CO -0.01 -0.05 0.33 0.68 0.00 0.00 0.00 174.94 175.89 2jqo s VAL 60 N 2.19 5.19 -0.36 2.92 -7.23 0.29 -0.98 120.40 122.42 2jqo s VAL 60 Ca 0.16 0.48 -0.23 0.00 -1.81 0.00 0.00 61.98 60.58 2jqo s VAL 60 Cb -0.16 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.18 2jqo s VAL 60 CO 0.11 0.46 0.75 -0.83 -0.31 0.00 0.00 175.10 175.29 2jqo s GLY 61 N -1.40 1.68 0.00 2.32 0.00 0.12 -1.63 107.32 108.40 2jqo s GLY 61 Ca 0.26 -0.70 0.19 0.00 0.00 0.00 0.00 44.72 44.47 2jqo s GLY 61 CO 0.14 1.70 1.46 1.04 0.00 0.00 0.00 173.10 177.43 2jqo n LEU 62 N 6.34 3.31 0.18 0.66 4.77 0.16 -2.39 117.00 130.03 2jqo n LEU 62 Ca 0.02 -1.65 0.07 0.00 -0.03 0.00 0.00 56.01 54.42 2jqo n LEU 62 Cb 0.48 -0.41 0.58 0.00 -2.33 0.00 0.00 43.42 41.74 2jqo n LEU 62 CO 0.53 0.82 1.10 0.77 -1.33 0.00 0.00 177.39 179.28 2jqo h SER 63 N 3.63 0.13 1.87 -1.43 4.64 -1.79 -0.48 113.55 120.11 2jqo h SER 63 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jqo h SER 63 Cb 0.83 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2jqo h SER 63 CO 0.00 0.10 0.00 -0.33 -0.87 0.00 0.00 176.83 175.73 2jqo h GLU 64 N 0.16 0.00 -4.69 4.77 4.39 -1.76 -3.42 114.58 114.03 2jqo h GLU 64 Ca 0.05 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.06 2jqo h GLU 64 Cb -0.00 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.42 2jqo h GLU 64 CO -0.01 0.00 -0.52 0.42 -1.16 0.00 0.00 179.01 177.74 2jqo s ILE 65 N -3.23 4.72 -0.46 3.13 1.01 -0.19 -4.92 121.20 121.25 2jqo s ILE 65 Ca 0.07 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.19 2jqo s ILE 65 Cb 0.06 -3.50 0.61 0.00 0.01 0.00 0.00 42.46 39.63 2jqo s ILE 65 CO 0.65 -0.07 1.87 -0.67 0.00 0.00 0.00 174.94 176.72 2jqo n ASP 66 N 5.01 4.29 -2.47 3.58 2.03 -1.26 -4.17 116.55 123.57 2jqo n ASP 66 Ca -0.13 -3.67 -0.00 0.00 0.52 0.00 0.00 54.79 51.51 2jqo n ASP 66 Cb 0.48 -0.83 0.05 0.00 -0.72 0.00 0.00 41.12 40.11 2jqo n ASP 66 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2jqo n ASN 67 N -1.10 0.70 0.00 1.67 6.94 -1.26 -4.93 115.26 117.28 2jqo n ASN 67 Ca 0.57 -2.06 0.04 0.00 -0.02 0.00 0.00 54.58 53.11 2jqo n ASN 67 Cb 1.40 -0.16 0.23 0.00 -2.36 0.00 0.00 39.78 38.89 2jqo n ASN 67 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2jqo n THR 68 N -0.58 0.00 0.53 5.53 -2.24 -1.26 -2.47 114.28 113.79 2jqo n THR 68 Ca -0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 2jqo n THR 68 Cb 0.87 -0.50 0.40 0.00 -2.10 0.00 0.00 70.33 69.00 2jqo n THR 68 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2jqo h ASP 69 N 0.00 0.00 0.24 3.42 3.32 -1.95 -2.28 116.42 119.17 2jqo h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jqo h ASP 69 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jqo h ASP 69 CO 0.00 0.00 -0.22 -0.90 -1.72 0.00 0.00 179.24 176.40 2jqo n ASP 70 N -2.39 0.96 -4.63 6.45 5.68 -1.03 -4.80 116.55 116.78 2jqo n ASP 70 Ca 0.05 -0.87 -0.43 0.00 -0.50 0.00 0.00 54.79 53.04 2jqo n ASP 70 Cb 0.41 0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.45 2jqo n ASP 70 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2jqo s LEU 71 N -2.47 3.97 -0.19 -2.12 2.96 -0.86 -5.01 118.68 114.97 2jqo s LEU 71 Ca 0.26 0.94 -0.10 0.00 -0.22 0.00 0.00 54.13 55.01 2jqo s LEU 71 Cb 0.19 -3.42 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 2jqo s LEU 71 CO 0.50 -0.82 0.15 -0.54 -1.32 0.00 0.00 176.35 174.32 2jqo s LYS 72 N 3.48 4.17 0.10 1.98 1.02 -1.26 -5.05 119.74 124.18 2jqo s LYS 72 Ca 0.42 -0.18 -0.16 0.00 0.02 0.00 0.00 55.97 56.07 2jqo s LYS 72 Cb -0.13 -3.41 -0.07 0.00 -0.52 0.00 0.00 37.83 33.71 2jqo s LYS 72 CO 0.15 0.31 0.54 -0.98 -0.92 0.00 0.00 175.35 174.45 2jqo s ARG 73 N 0.32 4.06 0.00 1.68 1.70 -1.26 -3.77 118.95 121.68 2jqo s ARG 73 Ca 0.09 0.58 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 2jqo s ARG 73 Cb -0.11 -3.08 0.00 0.00 -0.57 0.00 0.00 34.95 31.19 2jqo s ARG 73 CO -0.01 0.57 0.00 0.41 -1.08 0.00 0.00 175.30 175.18 2jqo n GLY 74 N 1.27 0.72 0.00 3.88 0.00 0.27 -4.99 105.19 106.35 2jqo n GLY 74 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.46 0.64 -4.74 1.61 -0.58 -0.97 -4.96 120.64 109.19 2jqo n GLU 75 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 2jqo n GLU 75 Cb 0.00 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.72 2jqo n GLU 75 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2jqo s LYS 76 N -1.39 1.36 0.17 3.49 2.20 -1.26 0.30 119.74 124.61 2jqo s LYS 76 Ca 0.00 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 2jqo s LYS 76 Cb 0.00 -1.28 -0.04 0.00 -1.51 0.00 0.00 37.83 35.00 2jqo s LYS 76 CO 0.00 0.31 0.10 0.96 -0.36 0.00 0.00 175.35 176.35 2jqo s ILE 77 N -0.25 0.06 -0.27 5.43 -4.36 0.55 -1.94 121.20 120.42 2jqo s ILE 77 Ca 0.04 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 2jqo s ILE 77 Cb -0.07 -2.31 0.07 0.00 1.25 0.00 0.00 42.46 41.40 2jqo s ILE 77 CO -0.00 -0.20 -0.03 -0.75 0.24 0.00 0.00 174.94 174.21 2jqo s LYS 78 N -4.11 1.63 0.02 0.37 2.20 0.34 -0.81 119.74 119.39 2jqo s LYS 78 Ca 0.33 -1.26 -0.01 0.00 -0.36 0.00 0.00 55.97 54.67 2jqo s LYS 78 Cb 0.07 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 2jqo s LYS 78 CO 0.08 -0.70 0.16 0.14 -0.36 0.00 0.00 175.35 174.66 2jqo s VAL 79 N 1.25 5.16 -0.28 4.02 -7.23 -0.16 0.34 120.40 123.51 2jqo s VAL 79 Ca -0.01 -0.35 -0.05 0.00 -1.81 0.00 0.00 61.98 59.75 2jqo s VAL 79 Cb -0.19 -3.44 0.01 0.00 0.56 0.00 0.00 36.38 33.32 2jqo s VAL 79 CO -0.08 0.26 0.04 0.26 -0.31 0.00 0.00 175.10 175.26 2jqo s TRP 80 N -1.36 3.11 0.36 2.82 0.51 -0.76 -0.56 118.94 123.07 2jqo s TRP 80 Ca 0.29 -1.10 0.04 0.00 -2.12 0.00 0.00 56.10 53.20 2jqo s TRP 80 Cb -0.13 -2.19 -0.05 0.00 -0.81 0.00 0.00 33.47 30.29 2jqo s TRP 80 CO 0.21 -0.61 0.07 -0.59 -0.51 0.00 0.00 176.95 175.52 2jqo s PHE 81 N 1.46 1.93 0.00 -1.98 -0.12 0.14 -3.75 117.98 115.65 2jqo s PHE 81 Ca 0.02 -1.03 0.00 0.00 -0.05 0.00 0.00 56.93 55.87 2jqo s PHE 81 Cb -0.17 -1.28 0.00 0.00 -0.63 0.00 0.00 43.02 40.94 2jqo s PHE 81 CO 0.00 -0.04 0.00 1.58 -0.05 0.00 0.00 175.22 176.71 2jqo n HIS 82 N -0.78 -2.00 -2.88 3.49 -0.00 -1.26 -1.44 115.22 110.35 2jqo n HIS 82 Ca -0.04 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.72 2jqo n HIS 82 Cb 0.66 0.51 -0.04 0.00 -0.12 0.00 0.00 29.99 31.00 2jqo n HIS 82 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2jqo s THR 83 N -2.00 4.83 0.04 3.57 2.01 -1.26 -5.02 115.64 117.80 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 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2jqo s THR 83 CO 0.00 -0.08 -0.04 0.00 -0.69 0.00 0.00 174.62 173.81 2jqo s ARG 84 N 2.86 0.45 -0.29 4.92 1.70 -1.26 -0.91 118.95 126.42 2jqo s ARG 84 Ca 0.35 -0.82 0.03 0.00 -0.47 0.00 0.00 55.73 54.82 2jqo s ARG 84 Cb -0.15 0.05 0.07 0.00 -0.57 0.00 0.00 34.95 34.36 2jqo s ARG 84 CO 0.07 -0.05 -0.05 0.21 -1.08 0.00 0.00 175.30 174.41 2jqo s LYS 85 N -2.22 1.91 -0.73 3.89 2.20 0.12 -4.98 119.74 119.93 2jqo s LYS 85 Ca -0.08 -1.50 -0.22 0.00 -0.36 0.00 0.00 55.97 53.81 2jqo s LYS 85 Cb -0.05 -2.96 0.07 0.00 -1.51 0.00 0.00 37.83 33.39 2jqo s LYS 85 CO -0.03 -0.71 1.05 -1.21 -0.36 0.00 0.00 175.35 174.09 2jqo s GLU 86 N 1.06 3.22 -0.00 4.03 2.02 -1.26 -0.09 118.70 127.68 2jqo s GLU 86 Ca -0.02 -0.92 0.08 0.00 0.02 0.00 0.00 54.97 54.13 2jqo s GLU 86 Cb -0.20 -4.39 -0.11 0.00 0.10 0.00 0.00 34.13 29.54 2jqo s GLU 86 CO -0.06 -1.87 0.28 0.43 0.02 0.00 0.00 175.26 174.06 2jqo n SER 87 N 7.78 1.50 -2.63 -0.19 7.64 -1.26 -4.94 113.62 121.52 2jqo n SER 87 Ca 0.03 -0.41 -0.02 0.00 1.01 0.00 0.00 58.87 59.49 2jqo n SER 87 Cb 0.47 1.16 -0.02 0.00 -1.01 0.00 0.00 64.21 64.81 2jqo n SER 87 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jqo n ASN 88 N -1.44 -5.12 -4.77 6.43 2.85 -1.26 -4.82 115.26 107.13 2jqo n ASN 88 Ca 0.00 1.37 -0.37 0.00 -0.11 0.00 0.00 54.58 55.47 2jqo n ASN 88 Cb 0.17 -5.19 -0.01 0.00 1.24 0.00 0.00 39.78 35.98 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 2jqo s PRO 89 N -1.26 3.70 0.62 1.20 0.02 -1.26 -5.14 135.00 132.89 2jqo s PRO 89 Ca -0.10 1.74 -0.15 0.00 0.02 0.00 0.00 61.00 62.51 2jqo s PRO 89 Cb 0.01 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 32.16 2jqo s PRO 89 CO 0.77 -0.59 1.06 -1.25 -0.33 0.00 0.00 177.00 176.66 2jqo s PRO 90 N -2.79 3.18 0.04 5.54 0.04 -1.26 -4.91 135.00 134.85 2jqo s PRO 90 Ca 0.65 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.91 2jqo s PRO 90 Cb -0.28 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 2jqo s PRO 90 CO 0.33 -0.91 -0.16 -1.54 0.04 0.00 0.00 177.00 174.75 2jqo s SER 91 N -3.00 1.96 -0.07 6.66 1.04 0.87 -2.14 113.70 119.03 2jqo s SER 91 Ca 0.62 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.60 2jqo s SER 91 Cb -0.16 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.83 2jqo s SER 91 CO 0.41 0.09 -0.10 0.00 0.98 0.00 0.00 173.24 174.62 2jqo s ALA 92 N -0.80 1.15 -0.38 5.32 0.00 -0.15 0.15 121.76 127.05 2jqo s ALA 92 Ca 0.04 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 2jqo s ALA 92 Cb -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2jqo s ALA 92 CO 0.01 0.02 0.80 0.99 0.00 0.00 0.00 175.76 177.57 2jqo s THR 93 N 0.86 4.71 -0.16 0.00 2.01 -0.09 0.10 115.64 123.07 2jqo s THR 93 Ca -0.11 0.84 -0.04 0.00 0.31 0.00 0.00 61.69 62.68 2jqo s THR 93 Cb -0.15 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2jqo s THR 93 CO 0.01 -0.49 -0.02 0.27 -0.69 0.00 0.00 174.62 173.71 2jqo s ILE 94 N 3.16 4.02 -1.04 1.82 -4.36 -1.00 -4.04 121.20 119.76 2jqo s ILE 94 Ca 0.32 -0.31 0.20 0.00 -0.26 0.00 0.00 60.65 60.59 2jqo s ILE 94 Cb -0.13 -2.77 -0.19 0.00 1.25 0.00 0.00 42.46 40.62 2jqo s ILE 94 CO 0.18 0.48 0.86 0.00 0.24 0.00 0.00 174.94 176.70 2jqo n GLN 95 N 3.60 0.56 -3.64 0.37 6.02 -1.25 -4.33 117.38 118.71 2jqo n GLN 95 Ca -0.17 -0.10 -0.14 0.00 -0.01 0.00 0.00 57.00 56.57 2jqo n GLN 95 Cb 0.52 -1.43 -0.07 0.00 1.02 0.00 0.00 30.24 30.28 2jqo n GLN 95 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2jqo s LYS 96 N -2.81 0.81 0.14 -1.09 2.20 -1.26 -4.65 119.74 113.08 2jqo s LYS 96 Ca 0.09 0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 56.55 2jqo s LYS 96 Cb 0.15 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.82 2jqo s LYS 96 CO 0.78 -0.12 0.06 1.52 -0.36 0.00 0.00 175.35 177.23 2jqo s TYR 97 N 0.20 0.94 -0.17 4.03 -0.85 -1.26 -1.82 117.35 118.42 2jqo s TYR 97 Ca -0.01 -1.22 0.00 0.00 -0.52 0.00 0.00 57.07 55.32 2jqo s TYR 97 Cb -0.04 -0.52 0.03 0.00 0.38 0.00 0.00 41.96 41.81 2jqo s TYR 97 CO 0.02 -0.49 -0.11 -2.00 -1.52 0.00 0.00 175.55 171.44 2jqo s GLU 98 N -4.04 2.06 0.26 -3.49 2.12 0.15 -4.97 118.70 110.80 2jqo s GLU 98 Ca 0.26 -0.66 -0.29 0.00 0.36 0.00 0.00 54.97 54.63 2jqo s GLU 98 Cb 0.07 -2.20 -0.09 0.00 0.26 0.00 0.00 34.13 32.17 2jqo s GLU 98 CO 0.03 -0.34 1.23 -1.17 -0.54 0.00 0.00 175.26 174.47 2jqo s LEU 99 N 1.47 4.47 0.00 2.70 2.96 -1.26 -0.50 118.68 128.52 2jqo s LEU 99 Ca 0.02 2.43 0.02 0.00 -0.22 0.00 0.00 54.13 56.37 2jqo s LEU 99 Cb -0.14 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.93 2jqo s LEU 99 CO -0.09 -0.39 0.13 0.18 -1.32 0.00 0.00 176.35 174.86 2jqo n LEU 100 N 1.59 0.00 -3.68 -0.68 4.77 -0.82 -4.70 117.00 113.47 2jqo n LEU 100 Ca 0.02 -1.29 -0.15 0.00 -0.03 0.00 0.00 56.01 54.56 2jqo n LEU 100 Cb 0.43 0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2jqo n LEU 100 CO 0.57 -0.35 0.16 -0.22 -1.33 0.00 0.00 177.39 176.22 2jqo s LEU 101 N 0.00 0.30 0.24 2.23 2.96 -1.22 -4.67 118.68 118.53 2jqo s LEU 101 Ca 0.10 0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 54.42 2jqo s LEU 101 Cb -0.01 1.69 0.28 0.00 0.50 0.00 0.00 46.19 48.65 2jqo s LEU 101 CO 0.06 -0.44 1.69 -0.33 -1.32 0.00 0.00 176.35 176.02 2jqo h GLU 102 N 3.93 0.74 -0.09 1.98 5.08 -1.99 -3.25 114.58 120.99 2jqo h GLU 102 Ca -0.28 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 57.73 2jqo h GLU 102 Cb 1.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jqo h GLU 102 CO 0.36 0.84 -0.31 1.25 -1.00 0.00 0.00 179.01 180.15 2jqo h HIS 103 N 0.67 0.48 -3.23 4.33 2.76 -2.04 -3.45 115.15 114.66 2jqo h HIS 103 Ca 0.11 -0.20 -0.28 0.00 -2.20 0.00 0.00 60.37 57.80 2jqo h HIS 103 Cb 0.61 -0.08 -0.34 0.00 1.55 0.00 0.00 27.41 29.15 2jqo h HIS 103 CO 0.03 0.93 -0.64 -1.58 -1.30 0.00 0.00 177.93 175.37 2jqo s HIS 104 N -3.74 -0.13 -0.04 5.26 5.65 -1.22 -5.05 115.29 116.01 2jqo s HIS 104 Ca -0.14 0.47 -0.20 0.00 0.25 0.00 0.00 55.06 55.44 2jqo s HIS 104 Cb 0.04 -0.19 -0.32 0.00 -1.18 0.00 0.00 32.58 30.93 2jqo s HIS 104 CO 0.78 -0.20 0.87 1.25 -0.65 0.00 0.00 174.74 176.79 2jqo h HIS 105 N 7.73 0.61 -0.67 3.88 2.76 -1.89 -3.23 115.15 124.34 2jqo h HIS 105 Ca -0.31 -0.44 -0.32 0.00 -2.20 0.00 0.00 60.37 57.10 2jqo h HIS 105 Cb 1.13 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 30.01 2jqo h HIS 105 CO 0.44 1.39 0.88 -1.01 -1.30 0.00 0.00 177.93 178.33 2jqo s HIS 106 N -2.46 1.89 0.33 5.26 3.76 -1.26 -4.72 115.29 118.08 2jqo s HIS 106 Ca -0.14 0.48 -0.29 0.00 -0.15 0.00 0.00 55.06 54.97 2jqo s HIS 106 Cb 0.02 -4.08 -0.11 0.00 1.11 0.00 0.00 32.58 29.53 2jqo s HIS 106 CO 0.84 -1.62 1.47 -1.58 -0.85 0.00 0.00 174.74 173.00 2jqo s HIS 107 N 9.99 2.79 -2.00 1.40 2.46 -1.26 -5.11 115.29 123.56 2jqo s HIS 107 Ca 0.68 1.10 0.32 0.00 0.47 0.00 0.00 55.06 57.63 2jqo s HIS 107 Cb -0.05 -3.93 1.90 0.00 -0.13 0.00 0.00 32.58 30.37 2jqo s HIS 107 CO 0.02 -2.86 2.22 0.72 -2.47 0.00 0.00 174.74 172.38