#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 1.94 0.15 6.12 5.15 -1.26 -4.54 115.26 122.83 2jqo n ASN 2 Ca 0.00 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 2jqo n ASN 2 Cb 0.00 -0.82 0.23 0.00 -0.53 0.00 0.00 39.78 38.66 2jqo n ASN 2 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 2jqo h LYS 3 N -1.00 0.00 -0.34 1.20 2.10 -2.01 -3.46 116.57 113.05 2jqo h LYS 3 Ca -0.51 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 57.99 2jqo h LYS 3 Cb 1.43 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.71 2jqo h LYS 3 CO -0.31 0.54 -0.13 0.09 -2.00 0.00 0.00 179.45 177.64 2jqo n ASN 4 N -3.83 -5.12 -4.90 7.07 3.02 -1.26 -4.96 115.26 105.28 2jqo n ASN 4 Ca -0.01 0.18 -0.34 0.00 -0.03 0.00 0.00 54.58 54.38 2jqo n ASN 4 Cb 0.56 -3.25 -0.05 0.00 -0.61 0.00 0.00 39.78 36.43 2jqo n ASN 4 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2jqo s GLU 5 N -2.35 3.49 0.14 3.52 2.56 -1.26 -5.01 118.70 119.79 2jqo s GLU 5 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 54.97 54.56 2jqo s GLU 5 Cb 0.00 -3.08 0.02 0.00 2.00 0.00 0.00 34.13 33.07 2jqo s GLU 5 CO 0.00 0.65 1.74 1.96 -0.56 0.00 0.00 175.26 179.05 2jqo h GLN 6 N 3.79 0.18 -5.89 4.30 4.20 -1.98 -3.36 115.11 116.35 2jqo h GLN 6 Ca -0.49 -0.01 -0.60 0.00 0.06 0.00 0.00 58.65 57.61 2jqo h GLN 6 Cb 1.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2jqo h GLN 6 CO 0.68 0.12 1.50 -1.71 -0.67 0.00 0.00 178.83 178.75 2jqo n ASN 7 N -5.07 2.59 -3.42 1.46 2.85 -1.26 -2.66 115.26 109.75 2jqo n ASN 7 Ca -0.00 0.17 -0.18 0.00 -0.11 0.00 0.00 54.58 54.45 2jqo n ASN 7 Cb 0.12 -1.43 0.09 0.00 1.24 0.00 0.00 39.78 39.79 2jqo n ASN 7 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jqo n GLY 8 N 6.13 -0.39 0.00 8.20 0.00 -1.26 -5.02 105.19 112.85 2jqo n GLY 8 Ca 0.37 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2jqo n GLY 8 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqo n ASP 9 N -3.06 0.00 0.05 1.61 -0.08 -1.09 -5.07 116.55 108.92 2jqo n ASP 9 Ca -0.22 -0.27 -0.02 0.00 -1.51 0.00 0.00 54.79 52.77 2jqo n ASP 9 Cb 0.64 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.09 2jqo n ASP 9 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2jqo h GLU 10 N 0.00 -0.13 -5.83 -0.67 4.39 -1.90 -3.45 114.58 107.00 2jqo h GLU 10 Ca 0.00 0.01 -0.67 0.00 0.34 0.00 0.00 59.36 59.04 2jqo h GLU 10 Cb 0.00 0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 28.51 2jqo h GLU 10 CO 0.00 -0.08 -0.63 0.99 -1.16 0.00 0.00 179.01 178.12 2jqo s THR 11 N -2.52 4.20 -0.12 1.13 2.01 -1.26 -5.06 115.64 114.02 2jqo s THR 11 Ca -0.02 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 2jqo s THR 11 Cb 0.00 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 2jqo s THR 11 CO 0.06 0.57 1.82 -0.75 -0.69 0.00 0.00 174.62 175.63 2jqo s LYS 12 N -0.57 3.85 -0.25 4.92 2.20 -1.26 -4.97 119.74 123.66 2jqo s LYS 12 Ca 0.09 2.08 -0.06 0.00 -0.36 0.00 0.00 55.97 57.72 2jqo s LYS 12 Cb -0.12 -4.11 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 2jqo s LYS 12 CO 0.02 -1.25 0.05 -1.64 -0.36 0.00 0.00 175.35 172.17 2jqo s MET 13 N 4.77 3.49 0.58 4.03 -1.94 -1.26 -4.75 119.30 124.21 2jqo s MET 13 Ca 0.81 -0.58 -0.08 0.00 -1.71 0.00 0.00 55.69 54.13 2jqo s MET 13 Cb -0.33 -3.26 -0.02 0.00 2.01 0.00 0.00 34.83 33.23 2jqo s MET 13 CO 0.33 -0.24 0.93 -0.65 -0.01 0.00 0.00 175.02 175.38 2jqo s GLN 14 N 1.56 3.33 -0.20 2.03 1.11 0.37 -4.74 119.66 123.13 2jqo s GLN 14 Ca 0.06 0.36 -0.08 0.00 0.01 0.00 0.00 55.36 55.71 2jqo s GLN 14 Cb -0.15 -2.21 -0.04 0.00 -1.01 0.00 0.00 33.01 29.59 2jqo s GLN 14 CO 0.02 -0.54 0.08 -1.12 0.01 0.00 0.00 175.29 173.74 2jqo s SER 15 N -4.21 5.74 -0.29 5.90 0.01 -1.26 -0.68 113.70 118.91 2jqo s SER 15 Ca 0.53 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2jqo s SER 15 Cb -0.11 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.18 2jqo s SER 15 CO 0.49 0.15 -0.03 -0.22 0.41 0.00 0.00 173.24 174.03 2jqo s LEU 16 N 0.54 3.79 -0.30 2.44 0.20 0.11 -4.95 118.68 120.51 2jqo s LEU 16 Ca 0.04 -1.36 -0.17 0.00 0.69 0.00 0.00 54.13 53.34 2jqo s LEU 16 Cb -0.12 -1.65 -0.02 0.00 -0.43 0.00 0.00 46.19 43.96 2jqo s LEU 16 CO 0.01 -0.24 0.47 -0.69 -0.29 0.00 0.00 176.35 175.60 2jqo s VAL 17 N 1.19 5.08 0.08 1.68 1.01 -1.26 -0.54 120.40 127.63 2jqo s VAL 17 Ca -0.06 0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 2jqo s VAL 17 Cb -0.20 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2jqo s VAL 17 CO -0.03 -0.02 0.24 -0.83 0.00 0.00 0.00 175.10 174.46 2jqo s GLY 18 N 1.66 -0.01 -0.19 4.51 0.00 -0.27 -3.96 107.32 109.07 2jqo s GLY 18 Ca 0.18 -0.39 -0.14 0.00 0.00 0.00 0.00 44.72 44.37 2jqo s GLY 18 CO 0.11 -0.59 0.30 -0.19 0.00 0.00 0.00 173.10 172.73 2jqo s TYR 19 N -3.52 3.41 -0.77 1.90 1.51 -0.56 -1.08 117.35 118.24 2jqo s TYR 19 Ca 0.02 0.54 -0.26 0.00 -1.01 0.00 0.00 57.07 56.36 2jqo s TYR 19 Cb 0.03 -2.38 0.01 0.00 -0.11 0.00 0.00 41.96 39.50 2jqo s TYR 19 CO -0.09 0.13 1.55 0.08 -1.11 0.00 0.00 175.55 176.11 2jqo s VAL 20 N 0.82 3.62 -0.20 0.71 1.01 0.99 -2.19 120.40 125.16 2jqo s VAL 20 Ca 0.16 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.26 2jqo s VAL 20 Cb -0.14 -4.56 -0.16 0.00 0.00 0.00 0.00 36.38 31.53 2jqo s VAL 20 CO 0.05 -1.50 -0.13 0.55 0.00 0.00 0.00 175.10 174.07 2jqo n VAL 21 N 6.87 1.22 -3.95 2.92 3.14 -1.07 0.65 118.33 128.10 2jqo n VAL 21 Ca 0.17 -0.53 -0.20 0.00 -2.96 0.00 0.00 64.34 60.82 2jqo n VAL 21 Cb 0.50 -1.09 -0.17 0.00 -1.06 0.00 0.00 33.84 32.03 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2jqo s LEU 22 N -6.01 1.01 -0.11 6.55 2.96 -1.09 -4.52 118.68 117.47 2jqo s LEU 22 Ca -0.24 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 2jqo s LEU 22 Cb 0.07 -0.34 0.05 0.00 0.50 0.00 0.00 46.19 46.47 2jqo s LEU 22 CO 0.55 -0.12 0.25 -0.75 -1.32 0.00 0.00 176.35 174.95 2jqo s LYS 23 N 1.29 0.17 0.00 1.98 2.20 -1.26 0.53 119.74 124.65 2jqo s LYS 23 Ca -0.06 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2jqo s LYS 23 Cb -0.13 -0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 2jqo s LYS 23 CO -0.02 -0.22 0.00 -0.40 -0.36 0.00 0.00 175.35 174.35 2jqo n ASP 24 N 4.73 0.00 0.21 1.43 5.68 -0.98 -5.02 116.55 122.60 2jqo n ASP 24 Ca -0.17 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 2jqo n ASP 24 Cb 0.51 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2jqo n ASP 24 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2jqo n ASN 25 N -2.04 -3.15 0.02 -1.12 5.15 -1.26 -4.94 115.26 107.92 2jqo n ASN 25 Ca 0.00 0.79 0.11 0.00 -0.60 0.00 0.00 54.58 54.88 2jqo n ASN 25 Cb 0.00 2.99 -0.13 0.00 -0.53 0.00 0.00 39.78 42.11 2jqo n ASN 25 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jqo n GLU 26 N -3.44 0.65 -3.83 1.20 1.02 -1.26 -4.87 120.64 110.11 2jqo n GLU 26 Ca 0.00 -0.12 -0.36 0.00 -0.02 0.00 0.00 57.16 56.66 2jqo n GLU 26 Cb 0.00 -1.59 -0.11 0.00 -0.02 0.00 0.00 31.44 29.71 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 -3.46 3.83 -0.30 3.49 0.52 -1.26 -0.14 118.95 121.63 2jqo s ARG 27 Ca -0.06 -0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 54.70 2jqo s ARG 27 Cb 0.13 -3.34 0.03 0.00 0.52 0.00 0.00 34.95 32.29 2jqo s ARG 27 CO 0.88 -0.01 0.04 0.00 0.02 0.00 0.00 175.30 176.24 2jqo s ALA 28 N 1.16 2.94 -0.47 2.13 0.00 -0.75 -2.31 121.76 124.46 2jqo s ALA 28 Ca 0.05 -1.58 -0.25 0.00 0.00 0.00 0.00 51.96 50.19 2jqo s ALA 28 Cb -0.14 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 20.95 2jqo s ALA 28 CO 0.04 -1.06 0.90 0.42 0.00 0.00 0.00 175.76 176.05 2jqo s ILE 29 N 1.40 4.50 -0.01 0.00 1.01 0.19 -1.52 121.20 126.76 2jqo s ILE 29 Ca -0.00 0.61 0.03 0.00 0.00 0.00 0.00 60.65 61.29 2jqo s ILE 29 Cb -0.18 -4.42 -0.03 0.00 0.01 0.00 0.00 42.46 37.83 2jqo s ILE 29 CO 0.01 -0.85 -0.08 -0.76 0.00 0.00 0.00 174.94 173.26 2jqo s LEU 30 N 3.68 3.12 -0.23 2.97 1.43 -0.09 -2.61 118.68 126.95 2jqo s LEU 30 Ca 0.35 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.24 2jqo s LEU 30 Cb -0.11 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2jqo s LEU 30 CO 0.25 0.30 0.08 -0.63 0.23 0.00 0.00 176.35 176.58 2jqo s ILE 31 N -0.93 4.52 -0.67 -0.59 1.01 -0.93 -0.95 121.20 122.67 2jqo s ILE 31 Ca 0.16 -0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.43 2jqo s ILE 31 Cb -0.11 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.28 2jqo s ILE 31 CO 0.06 0.37 1.45 0.42 0.00 0.00 0.00 174.94 177.23 2jqo s THR 32 N 1.26 3.65 -0.12 2.92 -4.23 -0.37 -1.50 115.64 117.25 2jqo s THR 32 Ca 0.05 0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 2jqo s THR 32 Cb -0.15 -4.58 0.03 0.00 1.34 0.00 0.00 72.50 69.15 2jqo s THR 32 CO 0.04 -1.47 0.17 -0.67 -0.54 0.00 0.00 174.62 172.14 2jqo n ASP 33 N 10.21 -1.89 0.00 3.99 2.03 -1.25 -4.97 116.55 124.66 2jqo n ASP 33 Ca 0.09 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.55 2jqo n ASP 33 Cb 0.50 -4.39 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 2jqo n ASP 33 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2jqo n THR 34 N 1.38 0.00 -3.77 5.18 -1.04 -1.26 -5.00 114.28 109.76 2jqo n THR 34 Ca -0.28 -0.27 -0.27 0.00 -2.04 0.00 0.00 64.05 61.18 2jqo n THR 34 Cb 0.44 1.13 0.05 0.00 -1.82 0.00 0.00 70.33 70.13 2jqo n THR 34 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2jqo n LYS 35 N -0.39 -6.66 -2.23 -2.82 5.02 -1.26 -4.04 118.16 105.78 2jqo n LYS 35 Ca 0.00 0.70 -0.03 0.00 -2.02 0.00 0.00 58.31 56.96 2jqo n LYS 35 Cb 0.03 -5.67 -0.03 0.00 -0.02 0.00 0.00 35.03 29.34 2jqo n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jqo n ALA 36 N -4.83 -3.19 0.06 7.82 0.00 -1.26 -4.94 120.51 114.17 2jqo n ALA 36 Ca 0.02 1.44 -0.11 0.00 0.00 0.00 0.00 53.44 54.79 2jqo n ALA 36 Cb 0.54 -2.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.02 2jqo n ALA 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jqo h PRO 37 N 3.09 -0.46 0.00 0.00 0.11 -2.00 -3.47 132.00 129.27 2jqo h PRO 37 Ca -0.31 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2jqo h PRO 37 Cb 0.70 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2jqo h PRO 37 CO 0.01 -0.31 0.00 0.41 -0.21 0.00 0.00 178.00 177.90 2jqo n GLY 38 N -1.31 3.27 0.34 -0.55 0.00 -1.26 -4.89 105.19 100.79 2jqo n GLY 38 Ca -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 2jqo n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jqo h LYS 39 N 0.00 0.99 0.00 1.61 3.11 -2.01 -1.30 116.57 118.97 2jqo h LYS 39 Ca 0.00 -0.10 -0.13 0.00 -2.81 0.00 0.00 60.65 57.61 2jqo h LYS 39 Cb 0.00 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.01 2jqo h LYS 39 CO 0.00 0.72 -0.62 0.93 -2.81 0.00 0.00 179.45 177.66 2jqo h GLU 40 N 1.00 0.00 -0.15 1.90 5.08 -2.00 -3.20 114.58 117.21 2jqo h GLU 40 Ca 0.26 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 2jqo h GLU 40 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2jqo h GLU 40 CO -0.04 0.62 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.96 2jqo h ASP 41 N 0.00 0.24 0.69 1.42 5.19 -1.60 0.59 116.42 122.94 2jqo h ASP 41 Ca -0.01 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2jqo h ASP 41 Cb 1.42 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.87 2jqo h ASP 41 CO 0.08 0.45 0.00 -1.22 -3.12 0.00 0.00 179.24 175.43 2jqo n TYR 42 N -4.21 0.73 0.19 4.55 4.01 -0.92 -2.09 117.16 119.42 2jqo n TYR 42 Ca -0.01 0.29 0.11 0.00 -0.16 0.00 0.00 57.90 58.13 2jqo n TYR 42 Cb 0.32 -0.97 -0.15 0.00 -0.31 0.00 0.00 39.34 38.23 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 -2.17 0.22 -4.74 7.72 3.02 0.07 -4.98 115.26 114.40 2jqo n ASN 43 Ca 0.02 -0.18 -0.36 0.00 -0.03 0.00 0.00 54.58 54.03 2jqo n ASN 43 Cb 0.22 1.75 0.05 0.00 -0.61 0.00 0.00 39.78 41.19 2jqo n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jqo s LEU 44 N -4.25 3.64 0.91 3.41 1.43 -0.44 -5.01 118.68 118.36 2jqo s LEU 44 Ca -0.05 2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 55.41 2jqo s LEU 44 Cb 0.14 -4.60 0.14 0.00 0.03 0.00 0.00 46.19 41.90 2jqo s LEU 44 CO 0.90 -1.75 1.16 -0.44 0.23 0.00 0.00 176.35 176.45 2jqo s SER 45 N -1.50 3.53 0.10 2.29 0.01 -1.26 -4.80 113.70 112.07 2jqo s SER 45 Ca 0.79 0.83 -0.28 0.00 1.31 0.00 0.00 55.95 58.61 2jqo s SER 45 Cb -0.33 -1.32 -0.10 0.00 0.21 0.00 0.00 66.02 64.47 2jqo s SER 45 CO 0.36 -2.52 1.64 -0.08 0.41 0.00 0.00 173.24 173.04 2jqo h GLU 46 N -1.48 -0.50 -0.78 12.44 4.81 -1.98 -1.09 114.58 125.99 2jqo h GLU 46 Ca -0.49 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 2jqo h GLU 46 Cb 1.32 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.77 2jqo h GLU 46 CO 0.59 -0.33 0.52 0.78 -0.73 0.00 0.00 179.01 179.83 2jqo h GLY 47 N -0.52 1.10 0.96 1.92 0.00 -1.97 0.22 103.07 104.78 2jqo h GLY 47 Ca 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2jqo h GLY 47 CO -0.10 0.34 0.07 1.46 0.00 0.00 0.00 176.54 178.31 2jqo h GLN 48 N 0.98 0.74 -0.49 4.80 4.20 -1.82 -1.86 115.11 121.67 2jqo h GLN 48 Ca 0.31 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 2jqo h GLN 48 Cb 0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2jqo h GLN 48 CO -0.09 0.77 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.56 2jqo h LEU 49 N 0.61 1.03 -1.82 1.46 3.38 -0.48 -2.07 115.31 117.42 2jqo h LEU 49 Ca 0.13 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2jqo h LEU 49 Cb 0.39 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2jqo h LEU 49 CO 0.01 1.20 -0.10 0.24 0.09 0.00 0.00 178.44 179.88 2jqo h MET 50 N 0.86 0.00 0.04 1.13 2.86 -0.35 0.24 114.93 119.72 2jqo h MET 50 Ca 0.11 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.41 2jqo h MET 50 Cb 0.80 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.42 2jqo h MET 50 CO 0.07 0.10 -1.97 -1.71 1.06 0.00 0.00 176.91 174.46 2jqo n ASN 51 N -3.42 1.25 0.02 1.22 5.15 -0.72 -3.13 115.26 115.63 2jqo n ASN 51 Ca -0.01 0.24 -0.18 0.00 -0.60 0.00 0.00 54.58 54.02 2jqo n ASN 51 Cb 0.26 -0.20 -0.12 0.00 -0.53 0.00 0.00 39.78 39.20 2jqo n ASN 51 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2jqo h LYS 52 N 0.02 0.41 -0.87 1.20 3.64 -1.07 -3.28 116.57 116.64 2jqo h LYS 52 Ca -0.40 -0.49 -0.61 0.00 -1.27 0.00 0.00 60.65 57.89 2jqo h LYS 52 Cb 2.04 0.15 -0.36 0.00 -0.41 0.00 0.00 32.23 33.65 2jqo h LYS 52 CO 0.06 1.15 0.02 1.19 -2.27 0.00 0.00 179.45 179.60 2jqo n PHE 53 N -4.17 2.97 -0.12 1.91 3.72 0.05 -4.84 117.46 116.98 2jqo n PHE 53 Ca -0.11 -2.61 -0.05 0.00 -0.05 0.00 0.00 57.45 54.63 2jqo n PHE 53 Cb 0.72 -0.89 0.03 0.00 -0.94 0.00 0.00 39.48 38.40 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 2.07 0.13 -0.02 -1.08 3.64 -1.60 -1.32 116.57 118.38 2jqo h LYS 54 Ca 0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2jqo h LYS 54 Cb 1.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2jqo h LYS 54 CO 1.17 0.08 0.00 0.09 -2.27 0.00 0.00 179.45 178.52 2jqo n ASN 55 N -5.17 0.99 -0.14 4.20 4.13 -1.26 -3.81 115.26 114.20 2jqo n ASN 55 Ca 0.03 -1.36 0.06 0.00 1.68 0.00 0.00 54.58 54.99 2jqo n ASN 55 Cb 0.20 -0.01 0.08 0.00 -1.54 0.00 0.00 39.78 38.52 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 -0.21 1.71 -4.57 6.41 3.02 -0.54 -5.03 115.26 116.05 2jqo n ASN 56 Ca 0.20 -2.60 -0.36 0.00 -0.03 0.00 0.00 54.58 51.79 2jqo n ASN 56 Cb 0.27 -0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.88 4.80 -0.03 2.41 2.07 -0.93 -1.24 121.20 126.40 2jqo s ILE 57 Ca 0.19 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.47 2jqo s ILE 57 Cb 0.17 -3.22 -0.01 0.00 0.13 0.00 0.00 42.46 39.52 2jqo s ILE 57 CO 0.02 0.37 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.53 2jqo s VAL 58 N 1.13 1.61 -0.49 4.00 1.01 -0.12 -4.06 120.40 123.48 2jqo s VAL 58 Ca 0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 2jqo s VAL 58 Cb -0.14 -1.35 0.12 0.00 0.00 0.00 0.00 36.38 35.00 2jqo s VAL 58 CO 0.04 0.46 0.39 -0.63 0.00 0.00 0.00 175.10 175.35 2jqo s ILE 59 N -0.24 4.60 0.08 2.22 -1.09 0.31 -0.91 121.20 126.17 2jqo s ILE 59 Ca 0.02 -1.61 -0.20 0.00 -2.23 0.00 0.00 60.65 56.63 2jqo s ILE 59 Cb -0.10 -3.96 -0.07 0.00 -1.58 0.00 0.00 42.46 36.75 2jqo s ILE 59 CO 0.01 -0.77 0.58 0.68 -1.23 0.00 0.00 174.94 174.21 2jqo s VAL 60 N 1.46 4.72 -0.31 2.92 -7.23 -0.58 -1.19 120.40 120.20 2jqo s VAL 60 Ca 0.04 1.24 -0.17 0.00 -1.81 0.00 0.00 61.98 61.29 2jqo s VAL 60 Cb -0.27 -3.91 -0.02 0.00 0.56 0.00 0.00 36.38 32.74 2jqo s VAL 60 CO 0.01 0.55 0.46 -0.83 -0.31 0.00 0.00 175.10 174.98 2jqo s GLY 61 N -1.10 1.85 -0.02 2.32 0.00 0.15 -1.80 107.32 108.71 2jqo s GLY 61 Ca 0.29 -0.91 0.17 0.00 0.00 0.00 0.00 44.72 44.28 2jqo s GLY 61 CO 0.19 1.16 1.44 1.04 0.00 0.00 0.00 173.10 176.93 2jqo n LEU 62 N 5.56 3.32 0.15 0.66 4.77 0.81 -2.65 117.00 129.61 2jqo n LEU 62 Ca -0.06 -1.66 0.11 0.00 -0.03 0.00 0.00 56.01 54.37 2jqo n LEU 62 Cb 0.50 -0.42 0.56 0.00 -2.33 0.00 0.00 43.42 41.72 2jqo n LEU 62 CO 0.42 0.76 0.84 -1.20 -1.33 0.00 0.00 177.39 176.88 2jqo n SER 63 N 1.15 0.62 -0.54 -1.43 7.64 -1.26 -0.40 113.62 119.40 2jqo n SER 63 Ca 0.20 0.73 0.12 0.00 1.01 0.00 0.00 58.87 60.93 2jqo n SER 63 Cb 0.55 -0.83 0.16 0.00 -1.01 0.00 0.00 64.21 63.08 2jqo n SER 63 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jqo n GLU 64 N -2.27 1.41 -3.86 1.43 2.13 -1.26 -4.76 120.64 113.46 2jqo n GLU 64 Ca -0.00 -1.08 -0.36 0.00 0.66 0.00 0.00 57.16 56.39 2jqo n GLU 64 Cb 0.11 -1.48 -0.13 0.00 0.27 0.00 0.00 31.44 30.21 2jqo n GLU 64 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2jqo s ILE 65 N -2.33 3.22 -1.84 6.31 1.01 0.46 -4.97 121.20 123.05 2jqo s ILE 65 Ca 0.24 -1.31 0.05 0.00 0.00 0.00 0.00 60.65 59.63 2jqo s ILE 65 Cb 0.19 -2.84 0.17 0.00 0.01 0.00 0.00 42.46 39.99 2jqo s ILE 65 CO 0.48 -0.13 1.09 -0.67 0.00 0.00 0.00 174.94 175.71 2jqo n ASP 66 N 4.68 1.14 -0.80 3.58 2.03 -1.26 -3.40 116.55 122.51 2jqo n ASP 66 Ca -0.13 -2.03 0.03 0.00 0.52 0.00 0.00 54.79 53.18 2jqo n ASP 66 Cb 0.44 -0.18 0.03 0.00 -0.72 0.00 0.00 41.12 40.69 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 0.05 0.66 -1.41 1.67 6.94 -1.26 -4.90 115.26 117.02 2jqo n ASN 67 Ca 0.06 -2.22 -0.01 0.00 -0.02 0.00 0.00 54.58 52.40 2jqo n ASN 67 Cb 0.20 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 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 -0.03 1.81 0.11 5.53 -2.24 -1.22 -3.87 114.28 114.37 2jqo n THR 68 Ca 0.05 -0.44 0.09 0.00 -2.27 0.00 0.00 64.05 61.48 2jqo n THR 68 Cb 0.85 -1.38 0.02 0.00 -2.10 0.00 0.00 70.33 67.71 2jqo n THR 68 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2jqo h ASP 69 N 0.79 0.00 1.24 3.42 3.58 -1.90 -3.34 116.42 120.22 2jqo h ASP 69 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2jqo h ASP 69 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2jqo h ASP 69 CO 0.03 0.12 0.00 0.44 -2.88 0.00 0.00 179.24 176.95 2jqo h ASP 70 N 0.00 0.00 -2.86 2.28 3.32 -2.01 -3.43 116.42 113.72 2jqo h ASP 70 Ca -0.03 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.47 2jqo h ASP 70 Cb 1.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2jqo h ASP 70 CO 0.01 0.00 0.90 -0.76 -1.72 0.00 0.00 179.24 177.67 2jqo s LEU 71 N -5.47 4.28 0.43 1.55 2.01 -1.25 -5.01 118.68 115.22 2jqo s LEU 71 Ca 0.05 2.02 0.07 0.00 0.01 0.00 0.00 54.13 56.28 2jqo s LEU 71 Cb 0.09 -3.55 -0.02 0.00 0.01 0.00 0.00 46.19 42.72 2jqo s LEU 71 CO 0.54 -0.77 0.36 -0.54 1.01 0.00 0.00 176.35 176.96 2jqo s LYS 72 N 3.01 2.45 -0.29 1.70 1.02 -1.26 -5.05 119.74 121.32 2jqo s LYS 72 Ca 0.63 -1.64 -0.24 0.00 0.02 0.00 0.00 55.97 54.75 2jqo s LYS 72 Cb -0.29 -2.30 -0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2jqo s LYS 72 CO 0.24 -0.25 0.79 1.03 -0.92 0.00 0.00 175.35 176.24 2jqo s ARG 73 N -4.13 4.02 0.00 1.68 0.52 -1.26 -3.93 118.95 115.85 2jqo s ARG 73 Ca 0.46 0.66 0.00 0.00 -0.52 0.00 0.00 55.73 56.33 2jqo s ARG 73 Cb -0.02 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.74 2jqo s ARG 73 CO 0.27 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.36 2jqo n GLY 74 N 4.10 1.64 2.69 -3.53 0.00 0.21 -4.98 105.19 105.33 2jqo n GLY 74 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.34 0.76 -4.17 1.61 1.02 -1.07 -4.81 120.64 113.64 2jqo n GLU 75 Ca 0.00 -2.76 -0.18 0.00 -0.02 0.00 0.00 57.16 54.20 2jqo n GLU 75 Cb 0.00 1.28 -0.15 0.00 -0.02 0.00 0.00 31.44 32.54 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 -3.28 0.61 0.04 3.49 2.20 -1.26 -0.00 119.74 121.54 2jqo s LYS 76 Ca 0.12 -0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 2jqo s LYS 76 Cb 0.01 -0.62 -0.02 0.00 -1.51 0.00 0.00 37.83 35.68 2jqo s LYS 76 CO 0.08 0.03 -0.05 0.96 -0.36 0.00 0.00 175.35 176.00 2jqo s ILE 77 N 0.38 0.35 -0.32 5.43 -4.36 -0.24 -0.69 121.20 121.74 2jqo s ILE 77 Ca -0.04 -1.12 -0.01 0.00 -0.26 0.00 0.00 60.65 59.21 2jqo s ILE 77 Cb -0.08 -0.61 0.07 0.00 1.25 0.00 0.00 42.46 43.09 2jqo s ILE 77 CO -0.00 -0.51 0.04 -0.75 0.24 0.00 0.00 174.94 173.96 2jqo s LYS 78 N -1.86 2.22 0.14 0.37 2.20 0.77 -1.11 119.74 122.47 2jqo s LYS 78 Ca -0.10 -1.46 0.02 0.00 -0.36 0.00 0.00 55.97 54.08 2jqo s LYS 78 Cb -0.08 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2jqo s LYS 78 CO -0.01 -0.75 0.25 0.14 -0.36 0.00 0.00 175.35 174.62 2jqo s VAL 79 N 1.18 5.22 -0.26 4.02 -7.23 0.30 0.37 120.40 123.99 2jqo s VAL 79 Ca -0.01 -0.69 -0.08 0.00 -1.81 0.00 0.00 61.98 59.39 2jqo s VAL 79 Cb -0.20 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.04 2jqo s VAL 79 CO -0.03 -0.06 0.10 0.26 -0.31 0.00 0.00 175.10 175.07 2jqo s TRP 80 N -1.70 3.12 0.26 2.82 0.51 0.23 0.09 118.94 124.27 2jqo s TRP 80 Ca 0.34 -0.34 0.02 0.00 -2.12 0.00 0.00 56.10 53.99 2jqo s TRP 80 Cb -0.11 -2.28 -0.04 0.00 -0.81 0.00 0.00 33.47 30.23 2jqo s TRP 80 CO 0.28 -0.34 0.14 -0.59 -0.51 0.00 0.00 176.95 175.93 2jqo s PHE 81 N 1.64 1.46 0.00 -1.98 -0.71 0.14 -3.40 117.98 115.13 2jqo s PHE 81 Ca 0.06 -1.33 0.00 0.00 -1.04 0.00 0.00 56.93 54.62 2jqo s PHE 81 Cb -0.15 -0.78 0.00 0.00 -1.21 0.00 0.00 43.02 40.88 2jqo s PHE 81 CO 0.05 -0.52 0.00 1.58 -1.34 0.00 0.00 175.22 175.00 2jqo n HIS 82 N -0.46 0.00 -2.32 3.49 -0.00 -1.26 -0.48 115.22 114.19 2jqo n HIS 82 Ca 0.01 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.85 2jqo n HIS 82 Cb 0.65 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.49 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 -0.89 3.69 -0.26 3.57 2.01 -1.26 -4.95 115.64 117.55 2jqo s THR 83 Ca 0.00 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 2jqo s THR 83 Cb 0.00 -4.57 -0.01 0.00 0.01 0.00 0.00 72.50 67.93 2jqo s THR 83 CO 0.00 -1.48 0.05 -0.60 -0.69 0.00 0.00 174.62 171.90 2jqo s ARG 84 N 5.94 3.35 -0.54 4.92 3.52 -1.26 -0.49 118.95 134.39 2jqo s ARG 84 Ca 0.57 -0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 55.46 2jqo s ARG 84 Cb -0.04 -3.27 0.14 0.00 -1.56 0.00 0.00 34.95 30.23 2jqo s ARG 84 CO -0.04 -0.30 0.35 0.21 -0.81 0.00 0.00 175.30 174.71 2jqo s LYS 85 N 1.53 2.35 -0.47 5.12 2.20 0.12 -4.99 119.74 125.60 2jqo s LYS 85 Ca 0.05 -2.23 -0.25 0.00 -0.36 0.00 0.00 55.97 53.18 2jqo s LYS 85 Cb -0.16 -3.68 0.03 0.00 -1.51 0.00 0.00 37.83 32.51 2jqo s LYS 85 CO 0.01 -1.14 0.91 -2.00 -0.36 0.00 0.00 175.35 172.78 2jqo s GLU 86 N 0.45 3.50 -0.00 4.03 2.12 -1.26 -0.90 118.70 126.64 2jqo s GLU 86 Ca 0.13 0.11 0.12 0.00 0.36 0.00 0.00 54.97 55.69 2jqo s GLU 86 Cb -0.21 -3.94 -0.14 0.00 0.26 0.00 0.00 34.13 30.10 2jqo s GLU 86 CO -0.04 -1.24 0.47 -1.13 -0.54 0.00 0.00 175.26 172.79 2jqo n SER 87 N 7.15 0.83 -2.53 -1.70 3.41 -1.26 -4.93 113.62 114.59 2jqo n SER 87 Ca 0.05 -0.66 -0.03 0.00 -0.26 0.00 0.00 58.87 57.98 2jqo n SER 87 Cb 0.48 1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 65.50 2jqo n SER 87 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jqo n ASN 88 N -1.39 -3.07 -4.77 4.04 5.15 -1.26 -4.84 115.26 109.13 2jqo n ASN 88 Ca 0.02 1.25 -0.39 0.00 -0.60 0.00 0.00 54.58 54.86 2jqo n ASN 88 Cb 0.21 -4.90 -0.00 0.00 -0.53 0.00 0.00 39.78 34.55 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jqo s PRO 89 N -1.00 3.83 0.32 1.20 0.04 -1.26 -5.12 135.00 133.01 2jqo s PRO 89 Ca -0.17 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 2jqo s PRO 89 Cb 0.01 -2.61 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 2jqo s PRO 89 CO 0.72 -0.57 1.26 -1.25 0.04 0.00 0.00 177.00 177.20 2jqo s PRO 90 N -2.43 4.42 0.16 0.56 0.04 -1.26 -4.79 135.00 131.71 2jqo s PRO 90 Ca 0.60 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.83 2jqo s PRO 90 Cb -0.35 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2jqo s PRO 90 CO 0.44 -0.09 -0.02 0.45 0.04 0.00 0.00 177.00 177.81 2jqo s SER 91 N -0.56 4.69 -0.09 6.66 0.15 -0.08 -0.53 113.70 123.95 2jqo s SER 91 Ca 0.48 -0.39 -0.04 0.00 0.70 0.00 0.00 55.95 56.70 2jqo s SER 91 Cb -0.38 -0.98 0.04 0.00 -1.71 0.00 0.00 66.02 62.99 2jqo s SER 91 CO 0.50 0.11 0.20 0.00 1.20 0.00 0.00 173.24 175.25 2jqo s ALA 92 N -1.61 -0.43 -0.12 5.45 0.00 -0.33 0.12 121.76 124.84 2jqo s ALA 92 Ca 0.26 0.82 -0.24 0.00 0.00 0.00 0.00 51.96 52.80 2jqo s ALA 92 Cb -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2jqo s ALA 92 CO 0.17 -0.17 0.75 0.99 0.00 0.00 0.00 175.76 177.50 2jqo s THR 93 N 1.09 4.98 0.17 0.00 2.01 0.36 0.30 115.64 124.55 2jqo s THR 93 Ca -0.08 1.50 0.10 0.00 0.31 0.00 0.00 61.69 63.52 2jqo s THR 93 Cb -0.10 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2jqo s THR 93 CO -0.07 0.15 -0.19 0.27 -0.69 0.00 0.00 174.62 174.10 2jqo s ILE 94 N 1.43 2.71 -0.12 1.82 -4.36 -1.08 -4.11 121.20 117.48 2jqo s ILE 94 Ca 0.37 -1.78 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 2jqo s ILE 94 Cb -0.17 -2.29 -0.09 0.00 1.25 0.00 0.00 42.46 41.16 2jqo s ILE 94 CO 0.16 -0.05 -0.08 0.00 0.24 0.00 0.00 174.94 175.20 2jqo n GLN 95 N 0.36 0.70 -4.18 0.37 6.02 -1.22 -4.50 117.38 114.93 2jqo n GLN 95 Ca -0.13 0.06 -0.18 0.00 -0.01 0.00 0.00 57.00 56.74 2jqo n GLN 95 Cb 0.55 -1.24 -0.12 0.00 1.02 0.00 0.00 30.24 30.45 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 -2.24 0.84 0.03 -1.09 1.02 -1.26 -4.82 119.74 112.23 2jqo s LYS 96 Ca -0.14 -1.00 -0.17 0.00 0.02 0.00 0.00 55.97 54.68 2jqo s LYS 96 Cb 0.04 -0.80 0.03 0.00 -0.52 0.00 0.00 37.83 36.58 2jqo s LYS 96 CO 0.30 0.17 0.38 1.52 -0.92 0.00 0.00 175.35 176.80 2jqo s TYR 97 N -1.46 -0.22 -0.24 3.18 1.13 -1.26 -0.60 117.35 117.87 2jqo s TYR 97 Ca -0.00 0.19 -0.00 0.00 -1.41 0.00 0.00 57.07 55.84 2jqo s TYR 97 Cb -0.09 0.18 0.04 0.00 -1.10 0.00 0.00 41.96 40.98 2jqo s TYR 97 CO 0.02 -0.53 -0.09 -1.21 -2.51 0.00 0.00 175.55 171.22 2jqo s GLU 98 N -2.33 2.68 -0.52 -3.49 2.02 0.16 -4.97 118.70 112.26 2jqo s GLU 98 Ca -0.06 -1.07 -0.27 0.00 0.02 0.00 0.00 54.97 53.59 2jqo s GLU 98 Cb -0.01 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.30 2jqo s GLU 98 CO -0.02 -0.43 1.70 -1.17 0.02 0.00 0.00 175.26 175.37 2jqo s LEU 99 N 1.26 3.39 -0.98 1.80 2.96 -1.26 -0.16 118.68 125.69 2jqo s LEU 99 Ca -0.02 0.59 -0.24 0.00 -0.22 0.00 0.00 54.13 54.25 2jqo s LEU 99 Cb -0.17 -2.97 0.04 0.00 0.50 0.00 0.00 46.19 43.58 2jqo s LEU 99 CO -0.06 -1.98 1.50 -0.76 -1.32 0.00 0.00 176.35 173.73 2jqo s LEU 100 N 7.51 3.43 -0.77 -0.68 1.43 0.14 -4.92 118.68 124.82 2jqo s LEU 100 Ca 0.66 -1.25 -0.25 0.00 -1.03 0.00 0.00 54.13 52.25 2jqo s LEU 100 Cb -0.15 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.44 2jqo s LEU 100 CO 0.26 -1.69 2.09 -0.22 0.23 0.00 0.00 176.35 177.01 2jqo s LEU 101 N 5.68 3.15 -0.10 1.79 2.96 -1.26 -4.02 118.68 126.87 2jqo s LEU 101 Ca 0.48 -0.09 -0.32 0.00 -0.22 0.00 0.00 54.13 53.98 2jqo s LEU 101 Cb -0.02 -2.54 -0.09 0.00 0.50 0.00 0.00 46.19 44.04 2jqo s LEU 101 CO -0.06 -2.94 2.02 1.21 -1.32 0.00 0.00 176.35 175.25 2jqo n GLU 102 N 8.94 2.24 -0.01 1.98 0.00 -1.26 -4.82 120.64 127.71 2jqo n GLU 102 Ca 0.37 0.77 0.00 0.00 0.00 0.00 0.00 57.16 58.30 2jqo n GLU 102 Cb 0.48 -2.88 0.00 0.00 0.00 0.00 0.00 31.44 29.04 2jqo n GLU 102 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2jqo n HIS 103 N 8.42 0.03 0.08 4.31 8.25 -1.26 -3.51 115.22 131.54 2jqo n HIS 103 Ca 0.25 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2jqo n HIS 103 Cb 0.36 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.35 2jqo n HIS 103 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jqo n HIS 104 N 0.06 -0.99 -4.94 4.41 8.25 -1.26 -5.15 115.22 115.60 2jqo n HIS 104 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2jqo n HIS 104 Cb 0.29 0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.65 2jqo n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jqo n HIS 105 N -3.40 -1.58 -2.89 4.41 8.25 -1.23 -4.31 115.22 114.48 2jqo n HIS 105 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 2jqo n HIS 105 Cb 0.04 0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 2jqo n HIS 105 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jqo n HIS 106 N -1.20 2.36 -1.27 4.41 -0.00 -1.26 -4.68 115.22 113.57 2jqo n HIS 106 Ca 0.00 -3.60 0.00 0.00 0.46 0.00 0.00 57.72 54.58 2jqo n HIS 106 Cb 0.00 -0.38 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 2jqo n HIS 106 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jqo n HIS 107 N -0.11 0.00 -1.00 1.57 8.25 -1.26 -5.22 115.22 117.44 2jqo n HIS 107 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2jqo n HIS 107 Cb 0.59 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.73 2jqo n HIS 107 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56