#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqo s ASN 2 N 0.00 6.75 0.15 7.83 2.47 -1.26 -4.94 114.94 125.95 2jqo s ASN 2 Ca 0.00 0.92 0.26 0.00 0.42 0.00 0.00 52.86 54.46 2jqo s ASN 2 Cb 0.00 -2.38 0.66 0.00 -1.45 0.00 0.00 41.25 38.08 2jqo s ASN 2 CO 0.00 -0.35 1.61 0.29 -3.72 0.00 0.00 177.10 174.93 2jqo n LYS 3 N 5.32 0.24 -2.39 0.43 4.76 -1.26 -4.86 118.16 120.41 2jqo n LYS 3 Ca 0.01 0.14 -0.24 0.00 -2.87 0.00 0.00 58.31 55.35 2jqo n LYS 3 Cb 0.49 -1.72 0.09 0.00 -1.84 0.00 0.00 35.03 32.04 2jqo n LYS 3 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2jqo s ASN 4 N -4.23 4.60 -0.06 4.39 -0.87 -1.26 -5.05 114.94 112.46 2jqo s ASN 4 Ca 0.09 0.08 -0.22 0.00 -1.57 0.00 0.00 52.86 51.25 2jqo s ASN 4 Cb 0.13 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.25 40.69 2jqo s ASN 4 CO 0.64 -1.69 0.63 -0.70 -2.57 0.00 0.00 177.10 173.40 2jqo s GLU 5 N -5.17 4.39 0.03 -0.60 -6.30 -1.26 -4.96 118.70 104.83 2jqo s GLU 5 Ca 0.63 0.76 -0.06 0.00 -2.50 0.00 0.00 54.97 53.80 2jqo s GLU 5 Cb -0.08 -3.42 -0.29 0.00 0.00 0.00 0.00 34.13 30.34 2jqo s GLU 5 CO 0.44 0.17 0.95 1.96 0.02 0.00 0.00 175.26 178.80 2jqo h GLN 6 N 6.43 0.30 -6.42 4.30 4.20 -1.96 -3.48 115.11 118.49 2jqo h GLN 6 Ca -0.42 -0.52 -0.49 0.00 0.06 0.00 0.00 58.65 57.28 2jqo h GLN 6 Cb 1.19 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 29.10 2jqo h GLN 6 CO 0.74 1.20 -0.82 -1.71 -0.67 0.00 0.00 178.83 177.57 2jqo n ASN 7 N -3.52 -2.73 -4.69 1.46 5.15 -1.26 -4.92 115.26 104.75 2jqo n ASN 7 Ca -0.15 -0.90 -0.31 0.00 -0.60 0.00 0.00 54.58 52.63 2jqo n ASN 7 Cb 1.05 -3.45 0.15 0.00 -0.53 0.00 0.00 39.78 36.99 2jqo n ASN 7 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2jqo s GLY 8 N -3.75 1.66 0.78 8.20 0.00 -1.26 -4.93 107.32 108.03 2jqo s GLY 8 Ca 0.41 0.32 -0.13 0.00 0.00 0.00 0.00 44.72 45.32 2jqo s GLY 8 CO 0.86 0.76 1.18 0.51 0.00 0.00 0.00 173.10 176.42 2jqo s ASP 9 N -2.99 3.87 -0.95 1.64 -4.77 -1.26 -3.11 116.67 109.10 2jqo s ASP 9 Ca 0.65 2.27 -0.04 0.00 -3.30 0.00 0.00 52.55 52.13 2jqo s ASP 9 Cb -0.21 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 2jqo s ASP 9 CO 0.58 -2.47 0.82 1.21 0.70 0.00 0.00 175.17 176.00 2jqo n GLU 10 N -3.19 -5.48 -1.77 2.11 2.13 -1.26 -4.91 120.64 108.28 2jqo n GLU 10 Ca 0.13 0.61 -0.43 0.00 0.66 0.00 0.00 57.16 58.13 2jqo n GLU 10 Cb 0.51 -4.95 -0.03 0.00 0.27 0.00 0.00 31.44 27.24 2jqo n GLU 10 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2jqo s THR 11 N -3.24 3.20 -0.39 6.31 2.01 -1.18 -4.93 115.64 117.42 2jqo s THR 11 Ca 0.29 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 2jqo s THR 11 Cb -0.13 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.15 2jqo s THR 11 CO 0.53 -0.13 1.34 -0.54 -0.69 0.00 0.00 174.62 175.13 2jqo s LYS 12 N 5.71 3.69 0.35 4.92 1.02 -1.26 -5.00 119.74 129.17 2jqo s LYS 12 Ca 0.91 0.97 -0.15 0.00 0.02 0.00 0.00 55.97 57.72 2jqo s LYS 12 Cb -0.31 -3.97 -0.09 0.00 -0.52 0.00 0.00 37.83 32.95 2jqo s LYS 12 CO 0.35 -1.41 0.76 -1.64 -0.92 0.00 0.00 175.35 172.49 2jqo s MET 13 N 4.64 3.98 -0.12 1.68 -1.94 -1.26 -5.01 119.30 121.27 2jqo s MET 13 Ca 0.58 0.67 -0.26 0.00 -1.71 0.00 0.00 55.69 54.97 2jqo s MET 13 Cb -0.13 -2.40 -0.02 0.00 2.01 0.00 0.00 34.83 34.28 2jqo s MET 13 CO 0.30 0.11 0.84 -1.14 -0.01 0.00 0.00 175.02 175.12 2jqo s GLN 14 N -3.14 4.37 -0.05 2.03 0.74 -0.09 -4.79 119.66 118.73 2jqo s GLN 14 Ca 0.54 1.08 0.01 0.00 0.05 0.00 0.00 55.36 57.04 2jqo s GLN 14 Cb -0.10 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.45 2jqo s GLN 14 CO 0.19 -0.21 -0.05 0.45 -0.55 0.00 0.00 175.29 175.12 2jqo s SER 15 N 1.06 4.81 0.02 6.67 0.15 -1.25 -1.60 113.70 123.55 2jqo s SER 15 Ca 0.41 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2jqo s SER 15 Cb -0.17 -1.23 -0.01 0.00 -1.71 0.00 0.00 66.02 62.89 2jqo s SER 15 CO 0.16 0.34 -0.03 -0.76 1.20 0.00 0.00 173.24 174.16 2jqo s LEU 16 N -1.00 2.17 -0.19 3.45 1.43 -0.63 -4.94 118.68 118.97 2jqo s LEU 16 Ca 0.14 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 2jqo s LEU 16 Cb -0.11 0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.09 2jqo s LEU 16 CO 0.03 -0.19 0.27 -0.69 0.23 0.00 0.00 176.35 176.00 2jqo s VAL 17 N -0.99 5.31 0.07 -1.59 1.01 -1.26 -0.32 120.40 122.62 2jqo s VAL 17 Ca -0.10 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 2jqo s VAL 17 Cb -0.07 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2jqo s VAL 17 CO -0.01 0.36 0.25 -0.83 0.00 0.00 0.00 175.10 174.87 2jqo s GLY 18 N 0.70 -0.02 -0.20 4.51 0.00 -0.10 -4.13 107.32 108.08 2jqo s GLY 18 Ca 0.14 -0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.40 2jqo s GLY 18 CO 0.04 -0.51 0.38 -0.19 0.00 0.00 0.00 173.10 172.83 2jqo s TYR 19 N -3.21 3.38 -0.60 1.90 2.02 0.23 -1.20 117.35 119.86 2jqo s TYR 19 Ca -0.00 0.60 -0.26 0.00 -0.37 0.00 0.00 57.07 57.03 2jqo s TYR 19 Cb 0.02 -2.51 0.04 0.00 -0.40 0.00 0.00 41.96 39.11 2jqo s TYR 19 CO -0.07 0.01 1.11 0.08 -1.57 0.00 0.00 175.55 175.10 2jqo s VAL 20 N 1.26 4.11 -0.26 0.71 1.01 0.14 -0.57 120.40 126.80 2jqo s VAL 20 Ca 0.18 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 2jqo s VAL 20 Cb -0.15 -4.69 -0.15 0.00 0.00 0.00 0.00 36.38 31.38 2jqo s VAL 20 CO 0.08 -1.36 -0.25 0.55 0.00 0.00 0.00 175.10 174.12 2jqo n VAL 21 N 6.43 1.45 -4.24 2.92 3.14 -0.94 0.51 118.33 127.60 2jqo n VAL 21 Ca 0.05 -0.52 -0.18 0.00 -2.96 0.00 0.00 64.34 60.73 2jqo n VAL 21 Cb 0.48 -1.49 -0.11 0.00 -1.06 0.00 0.00 33.84 31.67 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2jqo s LEU 22 N -6.67 2.41 -0.09 6.55 1.43 -1.08 -4.37 118.68 116.86 2jqo s LEU 22 Ca -0.35 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 51.83 2jqo s LEU 22 Cb 0.10 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.80 2jqo s LEU 22 CO 0.56 -0.15 0.30 -0.75 0.23 0.00 0.00 176.35 176.54 2jqo s LYS 23 N -2.70 0.41 0.00 1.70 2.20 -1.26 -0.42 119.74 119.66 2jqo s LYS 23 Ca 0.09 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 2jqo s LYS 23 Cb -0.05 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 2jqo s LYS 23 CO 0.03 -0.07 0.00 -3.47 -0.36 0.00 0.00 175.35 171.48 2jqo n ASP 24 N 2.58 0.96 -0.09 1.43 2.03 0.72 -4.98 116.55 119.21 2jqo n ASP 24 Ca -0.15 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.07 2jqo n ASP 24 Cb 0.57 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.84 2jqo n ASP 24 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jqo n ASN 25 N 0.00 0.89 -0.02 1.67 5.15 -1.26 -4.57 115.26 117.12 2jqo n ASN 25 Ca 0.00 -0.02 -0.16 0.00 -0.60 0.00 0.00 54.58 53.81 2jqo n ASN 25 Cb 0.00 0.76 -0.14 0.00 -0.53 0.00 0.00 39.78 39.87 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 -2.71 0.70 -4.24 1.20 1.02 -1.26 -4.81 120.64 110.54 2jqo n GLU 26 Ca -0.30 0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 2jqo n GLU 26 Cb 1.05 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.66 2jqo n GLU 26 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2jqo s ARG 27 N -2.57 1.13 0.03 3.49 1.70 -1.26 -0.56 118.95 120.91 2jqo s ARG 27 Ca -0.16 -1.56 0.01 0.00 -0.47 0.00 0.00 55.73 53.55 2jqo s ARG 27 Cb 0.07 -0.16 -0.02 0.00 -0.57 0.00 0.00 34.95 34.28 2jqo s ARG 27 CO 0.78 -0.19 -0.05 0.00 -1.08 0.00 0.00 175.30 174.76 2jqo s ALA 28 N -3.76 0.30 -0.34 7.88 0.00 -0.20 -0.20 121.76 125.44 2jqo s ALA 28 Ca 0.27 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 2jqo s ALA 28 Cb 0.07 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2jqo s ALA 28 CO 0.05 -0.10 0.15 0.42 0.00 0.00 0.00 175.76 176.29 2jqo s ILE 29 N -1.39 4.27 -0.03 0.00 1.01 0.43 -0.83 121.20 124.67 2jqo s ILE 29 Ca -0.13 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.69 2jqo s ILE 29 Cb -0.10 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2jqo s ILE 29 CO -0.00 -0.13 -0.09 -0.76 0.00 0.00 0.00 174.94 173.95 2jqo s LEU 30 N 1.51 3.04 -0.26 2.97 1.43 -0.13 -2.21 118.68 125.03 2jqo s LEU 30 Ca 0.01 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 2jqo s LEU 30 Cb -0.19 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2jqo s LEU 30 CO 0.05 0.32 0.07 -0.63 0.23 0.00 0.00 176.35 176.39 2jqo s ILE 31 N -0.87 4.22 -0.21 -0.59 1.01 0.26 -0.24 121.20 124.78 2jqo s ILE 31 Ca 0.14 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 2jqo s ILE 31 Cb -0.11 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.35 2jqo s ILE 31 CO 0.04 0.28 1.05 0.42 0.00 0.00 0.00 174.94 176.73 2jqo s THR 32 N 1.59 4.66 0.00 2.92 -4.23 -0.20 -0.60 115.64 119.78 2jqo s THR 32 Ca 0.06 2.00 0.00 0.00 -1.18 0.00 0.00 61.69 62.56 2jqo s THR 32 Cb -0.16 -4.29 0.00 0.00 1.34 0.00 0.00 72.50 69.40 2jqo s THR 32 CO 0.03 -0.15 0.00 0.47 -0.54 0.00 0.00 174.62 174.43 2jqo n ASP 33 N 6.18 -3.57 -0.10 3.99 8.00 -1.26 -4.88 116.55 124.90 2jqo n ASP 33 Ca 0.12 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.60 2jqo n ASP 33 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.56 2jqo n ASP 33 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2jqo n THR 34 N -0.47 0.00 -3.19 -3.53 -1.04 -1.26 -4.83 114.28 99.97 2jqo n THR 34 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 2jqo n THR 34 Cb 0.00 -0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 68.09 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 -2.61 -1.17 -2.95 -2.82 5.02 -1.26 -4.75 118.16 107.62 2jqo n LYS 35 Ca -0.01 0.77 -0.40 0.00 -2.02 0.00 0.00 58.31 56.65 2jqo n LYS 35 Cb 0.09 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 2jqo n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jqo s ALA 36 N -1.95 3.37 0.88 7.82 0.00 -1.26 -4.93 121.76 125.69 2jqo s ALA 36 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 2jqo s ALA 36 Cb 0.00 -3.02 0.11 0.00 0.00 0.00 0.00 23.12 20.21 2jqo s ALA 36 CO 0.00 0.09 1.07 -2.30 0.00 0.00 0.00 175.76 174.62 2jqo n PRO 37 N 2.61 -0.21 -1.80 0.00 -0.02 -1.26 -5.01 135.00 129.31 2jqo n PRO 37 Ca -0.02 0.01 -0.29 0.00 -2.02 0.00 0.00 63.50 61.17 2jqo n PRO 37 Cb 0.50 -2.33 0.15 0.00 -0.02 0.00 0.00 33.50 31.80 2jqo n PRO 37 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2jqo s GLY 38 N -2.37 1.67 0.23 -1.23 0.00 -1.26 -4.87 107.32 99.49 2jqo s GLY 38 Ca 0.68 -0.90 -0.07 0.00 0.00 0.00 0.00 44.72 44.44 2jqo s GLY 38 CO 0.57 -0.24 1.84 1.70 0.00 0.00 0.00 173.10 176.96 2jqo h LYS 39 N -1.49 1.23 -0.29 2.90 3.64 -1.99 -1.42 116.57 119.15 2jqo h LYS 39 Ca -0.46 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 58.69 2jqo h LYS 39 Cb 1.29 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2jqo h LYS 39 CO 0.51 0.93 -0.10 0.93 -2.27 0.00 0.00 179.45 179.45 2jqo h GLU 40 N 1.22 0.47 -0.47 1.90 3.07 -1.98 -2.70 114.58 116.09 2jqo h GLU 40 Ca 0.30 -0.12 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 2jqo h GLU 40 Cb 0.08 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 2jqo h GLU 40 CO -0.04 0.57 0.03 -0.44 -1.40 0.00 0.00 179.01 177.73 2jqo h ASP 41 N 0.44 0.72 0.39 1.42 5.19 -1.62 0.48 116.42 123.44 2jqo h ASP 41 Ca 0.09 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2jqo h ASP 41 Cb 0.44 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2jqo h ASP 41 CO 0.02 0.77 0.00 -1.22 -3.12 0.00 0.00 179.24 175.69 2jqo n TYR 42 N -4.24 0.00 0.54 4.55 4.01 -0.95 -2.37 117.16 118.70 2jqo n TYR 42 Ca 0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.82 2jqo n TYR 42 Cb 0.27 -0.25 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.25 0.81 -4.80 7.72 5.03 -0.04 -4.98 115.26 117.76 2jqo n ASN 43 Ca 0.12 -0.91 -0.35 0.00 0.87 0.00 0.00 54.58 54.32 2jqo n ASN 43 Cb 0.18 0.82 -0.05 0.00 -1.02 0.00 0.00 39.78 39.71 2jqo n ASN 43 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2jqo s LEU 44 N -2.29 3.98 0.79 3.41 1.43 -0.08 -5.04 118.68 120.88 2jqo s LEU 44 Ca 0.06 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 2jqo s LEU 44 Cb 0.09 -4.41 0.07 0.00 0.03 0.00 0.00 46.19 41.96 2jqo s LEU 44 CO 0.42 -0.57 1.10 -0.94 0.23 0.00 0.00 176.35 176.59 2jqo s SER 45 N -1.87 4.56 0.17 2.29 1.04 -1.26 -4.78 113.70 113.86 2jqo s SER 45 Ca 0.62 1.26 -0.14 0.00 0.48 0.00 0.00 55.95 58.17 2jqo s SER 45 Cb -0.17 -1.99 0.13 0.00 0.10 0.00 0.00 66.02 64.10 2jqo s SER 45 CO 0.21 -1.92 1.73 -0.08 0.98 0.00 0.00 173.24 174.17 2jqo h GLU 46 N -1.05 0.26 -0.45 4.02 4.81 -1.97 -0.31 114.58 119.89 2jqo h GLU 46 Ca -0.47 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2jqo h GLU 46 Cb 1.27 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2jqo h GLU 46 CO 0.60 0.17 0.25 0.78 -0.73 0.00 0.00 179.01 180.08 2jqo h GLY 47 N 0.26 0.62 0.99 1.92 0.00 -1.98 0.13 103.07 105.01 2jqo h GLY 47 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2jqo h GLY 47 CO -0.25 0.15 0.30 1.46 0.00 0.00 0.00 176.54 178.20 2jqo h GLN 48 N 0.50 0.67 -0.51 4.80 4.20 -1.73 -1.77 115.11 121.27 2jqo h GLN 48 Ca 0.18 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2jqo h GLN 48 Cb 0.04 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2jqo h GLN 48 CO -0.10 0.49 0.22 1.25 -0.67 0.00 0.00 178.83 180.03 2jqo h LEU 49 N 0.66 0.68 -2.07 1.46 5.85 -0.63 -1.92 115.31 119.34 2jqo h LEU 49 Ca 0.18 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2jqo h LEU 49 Cb -0.01 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2jqo h LEU 49 CO -0.03 0.64 -0.07 0.24 -0.34 0.00 0.00 178.44 178.87 2jqo h MET 50 N 0.67 0.00 -0.00 1.25 2.86 -0.45 -1.34 114.93 117.92 2jqo h MET 50 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2jqo h MET 50 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2jqo h MET 50 CO -0.02 0.07 -0.64 0.09 1.06 0.00 0.00 176.91 177.47 2jqo n ASN 51 N -3.44 0.73 -0.12 1.22 3.02 -0.69 -3.07 115.26 112.92 2jqo n ASN 51 Ca -0.02 -0.56 -0.24 0.00 -0.03 0.00 0.00 54.58 53.73 2jqo n ASN 51 Cb 0.21 0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 39.77 2jqo n ASN 51 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2jqo n LYS 52 N -1.41 0.57 -1.42 3.52 4.81 -0.60 -4.38 118.16 119.25 2jqo n LYS 52 Ca 0.06 0.43 -0.34 0.00 -0.87 0.00 0.00 58.31 57.59 2jqo n LYS 52 Cb 0.34 -1.63 0.07 0.00 0.02 0.00 0.00 35.03 33.83 2jqo n LYS 52 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jqo n PHE 53 N -4.36 3.18 0.16 5.64 3.72 -0.66 -4.77 117.46 120.37 2jqo n PHE 53 Ca -0.40 -2.93 0.13 0.00 -0.05 0.00 0.00 57.45 54.20 2jqo n PHE 53 Cb 0.75 -1.32 0.67 0.00 -0.94 0.00 0.00 39.48 38.64 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 2.03 0.00 0.00 -1.08 3.64 -1.74 -0.39 116.57 119.02 2jqo h LYS 54 Ca 0.58 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.84 2jqo h LYS 54 Cb 0.90 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2jqo h LYS 54 CO 1.49 0.00 -1.61 0.09 -2.27 0.00 0.00 179.45 177.15 2jqo n ASN 55 N -4.44 0.53 -0.78 4.20 5.03 -1.26 -4.23 115.26 114.30 2jqo n ASN 55 Ca 0.02 0.22 0.07 0.00 0.87 0.00 0.00 54.58 55.76 2jqo n ASN 55 Cb 0.30 0.79 0.19 0.00 -1.02 0.00 0.00 39.78 40.04 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2jqo n ASN 56 N -2.67 3.22 -4.67 6.41 3.02 -0.65 -4.95 115.26 114.97 2jqo n ASN 56 Ca -0.10 -2.14 -0.39 0.00 -0.03 0.00 0.00 54.58 51.92 2jqo n ASN 56 Cb 0.76 -0.31 -0.07 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.26 5.12 -0.18 2.41 2.07 -0.25 -1.04 121.20 128.07 2jqo s ILE 57 Ca 0.29 0.96 0.00 0.00 -1.41 0.00 0.00 60.65 60.49 2jqo s ILE 57 Cb 0.17 -3.84 0.02 0.00 0.13 0.00 0.00 42.46 38.93 2jqo s ILE 57 CO 0.17 0.20 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.53 2jqo s VAL 58 N 1.49 2.25 -0.58 4.00 1.01 0.67 -4.20 120.40 125.04 2jqo s VAL 58 Ca 0.24 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 2jqo s VAL 58 Cb -0.15 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 34.35 2jqo s VAL 58 CO 0.10 0.52 0.76 -0.63 0.00 0.00 0.00 175.10 175.85 2jqo s ILE 59 N 1.28 4.69 0.13 2.22 1.01 -0.47 -0.96 121.20 129.09 2jqo s ILE 59 Ca 0.04 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 2jqo s ILE 59 Cb -0.13 -4.49 -0.07 0.00 0.01 0.00 0.00 42.46 37.77 2jqo s ILE 59 CO -0.11 -1.12 0.69 0.68 0.00 0.00 0.00 174.94 175.08 2jqo s VAL 60 N 3.09 4.52 -0.18 2.92 -7.23 -0.01 -2.34 120.40 121.16 2jqo s VAL 60 Ca 0.16 1.50 -0.18 0.00 -1.81 0.00 0.00 61.98 61.65 2jqo s VAL 60 Cb -0.20 -4.04 -0.04 0.00 0.56 0.00 0.00 36.38 32.66 2jqo s VAL 60 CO 0.10 0.53 0.49 -0.83 -0.31 0.00 0.00 175.10 175.07 2jqo s GLY 61 N -1.14 2.16 -0.08 2.32 0.00 0.30 -1.03 107.32 109.85 2jqo s GLY 61 Ca 0.33 -0.37 0.14 0.00 0.00 0.00 0.00 44.72 44.82 2jqo s GLY 61 CO 0.23 0.95 1.40 1.04 0.00 0.00 0.00 173.10 176.73 2jqo n LEU 62 N 4.44 3.58 0.27 0.66 4.77 0.28 -2.35 117.00 128.66 2jqo n LEU 62 Ca -0.06 -1.81 0.10 0.00 -0.03 0.00 0.00 56.01 54.22 2jqo n LEU 62 Cb 0.51 -0.48 0.73 0.00 -2.33 0.00 0.00 43.42 41.84 2jqo n LEU 62 CO 0.42 0.63 1.09 0.28 -1.33 0.00 0.00 177.39 178.48 2jqo h SER 63 N 3.05 0.00 0.17 -1.43 0.02 -1.84 -0.91 113.55 112.61 2jqo h SER 63 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jqo h SER 63 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2jqo h SER 63 CO 0.16 0.00 -0.16 -0.62 -1.14 0.00 0.00 176.83 175.07 2jqo n GLU 64 N -4.31 1.07 -4.10 3.45 -0.58 -1.26 -4.77 120.64 110.14 2jqo n GLU 64 Ca -0.03 -0.60 -0.33 0.00 -0.42 0.00 0.00 57.16 55.79 2jqo n GLU 64 Cb 0.09 -1.49 -0.16 0.00 -0.57 0.00 0.00 31.44 29.32 2jqo n GLU 64 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2jqo s ILE 65 N -2.34 2.15 -2.07 -3.67 1.01 -0.35 -4.82 121.20 111.12 2jqo s ILE 65 Ca 0.29 -1.08 0.12 0.00 0.00 0.00 0.00 60.65 59.98 2jqo s ILE 65 Cb 0.20 -1.99 0.31 0.00 0.01 0.00 0.00 42.46 40.98 2jqo s ILE 65 CO 0.46 0.40 1.33 -0.67 0.00 0.00 0.00 174.94 176.46 2jqo n ASP 66 N 4.59 1.16 -3.08 3.58 2.03 -1.26 -4.42 116.55 119.14 2jqo n ASP 66 Ca -0.19 -1.85 -0.10 0.00 0.52 0.00 0.00 54.79 53.17 2jqo n ASP 66 Cb 0.48 -0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 2jqo n ASP 66 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2jqo s ASN 67 N -1.22 -0.43 -0.04 1.67 3.84 -1.26 -4.94 114.94 112.56 2jqo s ASN 67 Ca 0.21 -1.79 0.06 0.00 0.21 0.00 0.00 52.86 51.55 2jqo s ASN 67 Cb 0.11 1.22 0.10 0.00 -0.55 0.00 0.00 41.25 42.12 2jqo s ASN 67 CO 0.16 -0.13 1.05 0.35 -2.79 0.00 0.00 177.10 175.74 2jqo n THR 68 N 3.44 1.28 0.71 -5.21 -2.24 -1.26 -4.72 114.28 106.27 2jqo n THR 68 Ca 0.18 -1.40 0.09 0.00 -2.27 0.00 0.00 64.05 60.65 2jqo n THR 68 Cb 0.53 0.27 0.42 0.00 -2.10 0.00 0.00 70.33 69.44 2jqo n THR 68 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jqo n ASP 69 N -0.77 0.00 -0.76 3.42 2.03 -1.26 -2.21 116.55 116.99 2jqo n ASP 69 Ca 0.05 0.40 0.10 0.00 0.52 0.00 0.00 54.79 55.86 2jqo n ASP 69 Cb 0.38 -0.46 0.29 0.00 -0.72 0.00 0.00 41.12 40.62 2jqo n ASP 69 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2jqo n ASP 70 N -1.46 2.27 -4.82 1.67 5.75 -1.26 -4.88 116.55 113.82 2jqo n ASP 70 Ca 0.06 -1.85 -0.38 0.00 -0.01 0.00 0.00 54.79 52.61 2jqo n ASP 70 Cb 0.21 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.05 2jqo n ASP 70 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jqo s LEU 71 N -1.41 4.48 0.00 -2.12 2.96 -0.94 -5.09 118.68 116.56 2jqo s LEU 71 Ca 0.33 1.15 0.02 0.00 -0.22 0.00 0.00 54.13 55.41 2jqo s LEU 71 Cb 0.18 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 2jqo s LEU 71 CO 0.26 0.26 0.06 0.29 -1.32 0.00 0.00 176.35 175.90 2jqo n LYS 72 N 1.59 0.78 -3.31 1.98 4.01 -1.26 -5.09 118.16 116.87 2jqo n LYS 72 Ca -0.10 -3.20 -0.39 0.00 -0.51 0.00 0.00 58.31 54.10 2jqo n LYS 72 Cb 0.51 1.23 -0.07 0.00 -0.51 0.00 0.00 35.03 36.18 2jqo n LYS 72 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2jqo s ARG 73 N -3.53 4.14 0.00 1.97 0.52 -1.26 -4.41 118.95 116.39 2jqo s ARG 73 Ca 0.08 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 2jqo s ARG 73 Cb 0.00 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.89 2jqo s ARG 73 CO 0.06 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.62 2jqo n GLY 74 N 4.09 0.88 3.55 -3.53 0.00 0.18 -5.00 105.19 105.37 2jqo n GLY 74 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2jqo n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jqo s GLU 75 N 0.23 1.97 -0.06 1.61 2.02 -1.01 -4.95 118.70 118.52 2jqo s GLU 75 Ca 0.00 -2.21 0.06 0.00 0.02 0.00 0.00 54.97 52.84 2jqo s GLU 75 Cb 0.00 -0.77 -0.01 0.00 0.10 0.00 0.00 34.13 33.45 2jqo s GLU 75 CO 0.00 -0.45 -0.24 0.15 0.02 0.00 0.00 175.26 174.74 2jqo s LYS 76 N -3.74 2.43 0.05 1.61 1.02 -1.26 0.27 119.74 120.12 2jqo s LYS 76 Ca 0.21 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.36 2jqo s LYS 76 Cb 0.03 -2.06 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 2jqo s LYS 76 CO 0.13 0.35 -0.06 0.96 -0.92 0.00 0.00 175.35 175.81 2jqo s ILE 77 N -0.12 0.40 -0.36 2.17 -4.36 -0.34 -0.86 121.20 117.73 2jqo s ILE 77 Ca -0.04 -1.27 -0.06 0.00 -0.26 0.00 0.00 60.65 59.02 2jqo s ILE 77 Cb -0.13 -0.81 0.06 0.00 1.25 0.00 0.00 42.46 42.83 2jqo s ILE 77 CO 0.04 -0.58 0.14 -0.75 0.24 0.00 0.00 174.94 174.03 2jqo s LYS 78 N -2.23 2.49 0.23 0.37 2.20 0.21 -0.93 119.74 122.09 2jqo s LYS 78 Ca -0.06 -1.35 -0.02 0.00 -0.36 0.00 0.00 55.97 54.18 2jqo s LYS 78 Cb -0.05 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 2jqo s LYS 78 CO -0.02 -0.79 0.45 0.14 -0.36 0.00 0.00 175.35 174.77 2jqo s VAL 79 N 1.35 5.14 -0.12 4.02 -7.23 0.56 0.34 120.40 124.45 2jqo s VAL 79 Ca 0.00 -0.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 2jqo s VAL 79 Cb -0.21 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.02 2jqo s VAL 79 CO 0.01 -0.23 -0.14 0.26 -0.31 0.00 0.00 175.10 174.69 2jqo s TRP 80 N -1.95 1.94 0.22 2.82 0.51 0.23 -1.60 118.94 121.11 2jqo s TRP 80 Ca 0.40 -0.97 0.00 0.00 -2.12 0.00 0.00 56.10 53.42 2jqo s TRP 80 Cb -0.11 -1.43 -0.04 0.00 -0.81 0.00 0.00 33.47 31.08 2jqo s TRP 80 CO 0.29 -0.53 0.15 -0.59 -0.51 0.00 0.00 176.95 175.77 2jqo s PHE 81 N 1.21 1.24 0.00 -1.98 -0.12 -0.63 -2.19 117.98 115.51 2jqo s PHE 81 Ca -0.02 -1.42 0.00 0.00 -0.05 0.00 0.00 56.93 55.44 2jqo s PHE 81 Cb -0.14 -0.58 0.00 0.00 -0.63 0.00 0.00 43.02 41.67 2jqo s PHE 81 CO -0.05 -0.68 0.00 1.58 -0.05 0.00 0.00 175.22 176.03 2jqo n HIS 82 N -0.32 0.00 -2.37 3.49 -0.00 -1.25 -0.91 115.22 113.85 2jqo n HIS 82 Ca 0.03 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.81 2jqo n HIS 82 Cb 0.65 0.00 -0.03 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 -1.00 3.61 -0.26 3.57 2.01 -1.26 -4.98 115.64 117.34 2jqo s THR 83 Ca 0.00 0.22 -0.16 0.00 0.31 0.00 0.00 61.69 62.06 2jqo s THR 83 Cb 0.00 -4.60 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 2jqo s THR 83 CO 0.00 -1.54 0.41 -0.60 -0.69 0.00 0.00 174.62 172.20 2jqo s ARG 84 N 6.13 4.06 -0.03 4.92 3.52 -1.26 -1.85 118.95 134.44 2jqo s ARG 84 Ca 0.47 0.13 0.08 0.00 -0.13 0.00 0.00 55.73 56.28 2jqo s ARG 84 Cb -0.09 -3.63 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 2jqo s ARG 84 CO 0.14 -0.25 -0.25 0.21 -0.81 0.00 0.00 175.30 174.34 2jqo s LYS 85 N 1.99 2.18 -0.32 5.12 2.20 -0.34 -5.02 119.74 125.54 2jqo s LYS 85 Ca 0.17 -0.92 0.03 0.00 -0.36 0.00 0.00 55.97 54.89 2jqo s LYS 85 Cb -0.16 -2.07 0.09 0.00 -1.51 0.00 0.00 37.83 34.19 2jqo s LYS 85 CO 0.09 0.54 0.03 -2.00 -0.36 0.00 0.00 175.35 173.65 2jqo s GLU 86 N -0.55 1.49 -0.00 4.03 2.12 -1.26 -0.74 118.70 123.78 2jqo s GLU 86 Ca 0.08 -1.69 0.16 0.00 0.36 0.00 0.00 54.97 53.88 2jqo s GLU 86 Cb -0.11 -3.01 -0.19 0.00 0.26 0.00 0.00 34.13 31.09 2jqo s GLU 86 CO -0.00 -0.89 0.63 0.45 -0.54 0.00 0.00 175.26 174.91 2jqo n SER 87 N 4.36 0.83 -2.29 -1.70 2.88 -1.26 -4.98 113.62 111.46 2jqo n SER 87 Ca 0.01 -0.73 -0.04 0.00 -1.33 0.00 0.00 58.87 56.77 2jqo n SER 87 Cb 0.42 1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 64.97 2jqo n SER 87 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jqo n ASN 88 N -1.50 -0.97 -4.58 -3.46 2.85 -1.26 -4.95 115.26 101.40 2jqo n ASN 88 Ca 0.02 0.98 -0.29 0.00 -0.11 0.00 0.00 54.58 55.18 2jqo n ASN 88 Cb 0.28 -4.10 0.17 0.00 1.24 0.00 0.00 39.78 37.37 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2jqo s PRO 89 N -0.78 0.44 0.36 1.20 0.04 -1.26 -5.10 135.00 129.89 2jqo s PRO 89 Ca -0.20 0.29 -0.27 0.00 0.04 0.00 0.00 61.00 60.85 2jqo s PRO 89 Cb 0.01 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 2jqo s PRO 89 CO 0.58 -2.67 1.27 -0.35 0.04 0.00 0.00 177.00 175.87 2jqo n PRO 90 N -4.10 2.06 -3.87 0.56 -0.04 -1.26 -4.80 135.00 123.55 2jqo n PRO 90 Ca 0.07 0.72 -0.28 0.00 -0.04 0.00 0.00 63.50 63.98 2jqo n PRO 90 Cb 0.59 -2.32 -0.17 0.00 -0.04 0.00 0.00 33.50 31.56 2jqo n PRO 90 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2jqo s SER 91 N -0.37 2.67 -0.20 3.54 1.04 0.08 -1.37 113.70 119.08 2jqo s SER 91 Ca 0.57 -0.59 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 2jqo s SER 91 Cb -0.56 -0.84 -0.03 0.00 0.10 0.00 0.00 66.02 64.69 2jqo s SER 91 CO 0.61 -0.19 0.02 0.00 0.98 0.00 0.00 173.24 174.66 2jqo s ALA 92 N 1.69 3.11 -0.52 5.32 0.00 -0.99 -1.20 121.76 129.16 2jqo s ALA 92 Ca 0.01 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.76 2jqo s ALA 92 Cb -0.15 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.17 2jqo s ALA 92 CO -0.08 -0.13 0.98 0.99 0.00 0.00 0.00 175.76 177.53 2jqo s THR 93 N 0.96 4.35 -0.06 0.00 2.01 -0.77 -0.54 115.64 121.60 2jqo s THR 93 Ca 0.02 0.59 -0.11 0.00 0.31 0.00 0.00 61.69 62.50 2jqo s THR 93 Cb -0.14 -4.53 -0.05 0.00 0.01 0.00 0.00 72.50 67.78 2jqo s THR 93 CO 0.02 -1.04 0.28 0.27 -0.69 0.00 0.00 174.62 173.46 2jqo s ILE 94 N 4.06 5.26 -1.63 1.82 -4.36 -0.99 -3.96 121.20 121.39 2jqo s ILE 94 Ca 0.36 0.54 0.19 0.00 -0.26 0.00 0.00 60.65 61.48 2jqo s ILE 94 Cb -0.11 -3.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.01 2jqo s ILE 94 CO 0.23 0.59 0.94 0.00 0.24 0.00 0.00 174.94 176.94 2jqo n GLN 95 N 1.98 1.43 -3.60 0.37 6.02 -0.93 -4.09 117.38 118.56 2jqo n GLN 95 Ca -0.17 -0.80 -0.07 0.00 -0.01 0.00 0.00 57.00 55.96 2jqo n GLN 95 Cb 0.53 -1.36 -0.04 0.00 1.02 0.00 0.00 30.24 30.39 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 -2.22 0.37 0.12 -1.09 2.47 -1.23 -4.76 119.74 113.40 2jqo s LYS 96 Ca 0.15 0.05 -0.05 0.00 -1.56 0.00 0.00 55.97 54.56 2jqo s LYS 96 Cb 0.15 0.17 -0.02 0.00 -1.46 0.00 0.00 37.83 36.67 2jqo s LYS 96 CO 0.51 -0.12 0.14 1.52 0.16 0.00 0.00 175.35 177.56 2jqo s TYR 97 N -1.27 0.52 -0.20 4.03 1.13 -1.26 -0.60 117.35 119.70 2jqo s TYR 97 Ca 0.04 -0.93 -0.02 0.00 -1.41 0.00 0.00 57.07 54.75 2jqo s TYR 97 Cb -0.01 -0.24 -0.00 0.00 -1.10 0.00 0.00 41.96 40.61 2jqo s TYR 97 CO -0.03 -0.57 -0.10 -2.00 -2.51 0.00 0.00 175.55 170.34 2jqo s GLU 98 N -3.96 3.26 -0.43 -3.49 -6.30 0.15 -4.92 118.70 103.01 2jqo s GLU 98 Ca 0.15 -0.69 -0.29 0.00 -2.50 0.00 0.00 54.97 51.64 2jqo s GLU 98 Cb 0.06 -2.84 0.01 0.00 0.00 0.00 0.00 34.13 31.36 2jqo s GLU 98 CO -0.03 -0.16 1.40 -1.17 0.02 0.00 0.00 175.26 175.32 2jqo s LEU 99 N 1.31 3.57 -1.17 2.70 2.96 -1.26 -0.62 118.68 126.17 2jqo s LEU 99 Ca 0.04 0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 54.53 2jqo s LEU 99 Cb -0.14 -3.51 0.08 0.00 0.50 0.00 0.00 46.19 43.12 2jqo s LEU 99 CO -0.05 -1.45 1.55 -0.76 -1.32 0.00 0.00 176.35 174.32 2jqo s LEU 100 N 5.46 4.02 0.21 -0.68 1.43 -0.04 -4.97 118.68 124.12 2jqo s LEU 100 Ca 0.60 -2.19 -0.31 0.00 -1.03 0.00 0.00 54.13 51.21 2jqo s LEU 100 Cb -0.13 -2.53 -0.10 0.00 0.03 0.00 0.00 46.19 43.45 2jqo s LEU 100 CO 0.32 -1.20 1.55 -0.76 0.23 0.00 0.00 176.35 176.49 2jqo s LEU 101 N 3.93 4.37 -0.05 1.79 1.43 -1.26 -4.42 118.68 124.47 2jqo s LEU 101 Ca 0.48 2.70 0.01 0.00 -1.03 0.00 0.00 54.13 56.29 2jqo s LEU 101 Cb 0.01 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.71 2jqo s LEU 101 CO -0.00 -0.82 1.05 1.21 0.23 0.00 0.00 176.35 178.02 2jqo n GLU 102 N 3.26 1.21 0.05 1.70 4.07 -1.26 -3.00 120.64 126.66 2jqo n GLU 102 Ca 0.11 -0.38 -0.01 0.00 -0.06 0.00 0.00 57.16 56.82 2jqo n GLU 102 Cb 0.38 -1.22 -0.07 0.00 -0.06 0.00 0.00 31.44 30.48 2jqo n GLU 102 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2jqo h HIS 103 N 0.18 0.00 -3.51 4.31 2.76 -2.01 -3.44 115.15 113.44 2jqo h HIS 103 Ca 0.07 0.00 -0.39 0.00 -2.20 0.00 0.00 60.37 57.85 2jqo h HIS 103 Cb 1.15 0.00 -0.33 0.00 1.55 0.00 0.00 27.41 29.78 2jqo h HIS 103 CO 0.19 0.62 -0.77 -1.01 -1.30 0.00 0.00 177.93 175.67 2jqo s HIS 104 N -2.89 0.64 -1.13 5.26 3.76 -1.16 -5.04 115.29 114.72 2jqo s HIS 104 Ca -0.02 -0.15 0.29 0.00 -0.15 0.00 0.00 55.06 55.03 2jqo s HIS 104 Cb 0.08 -0.58 1.19 0.00 1.11 0.00 0.00 32.58 34.39 2jqo s HIS 104 CO 0.80 -0.16 1.88 1.58 -0.85 0.00 0.00 174.74 177.99 2jqo n HIS 105 N 3.95 0.00 -3.89 1.40 -0.00 -1.26 -4.45 115.22 110.97 2jqo n HIS 105 Ca -0.25 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.64 2jqo n HIS 105 Cb 0.51 -0.40 -0.16 0.00 -0.12 0.00 0.00 29.99 29.82 2jqo n HIS 105 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jqo s HIS 106 N -2.88 2.06 0.30 1.57 2.46 -1.26 -5.12 115.29 112.42 2jqo s HIS 106 Ca 0.17 -1.52 -0.02 0.00 0.47 0.00 0.00 55.06 54.16 2jqo s HIS 106 Cb 0.19 -1.45 -0.04 0.00 -0.13 0.00 0.00 32.58 31.15 2jqo s HIS 106 CO 0.54 -0.73 0.54 -1.01 -2.47 0.00 0.00 174.74 171.60 2jqo s HIS 107 N 1.51 3.49 0.00 3.88 3.76 -1.26 -5.16 115.29 121.51 2jqo s HIS 107 Ca -0.04 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.36 2jqo s HIS 107 Cb -0.18 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.51 2jqo s HIS 107 CO -0.07 0.17 0.00 -2.39 -0.85 0.00 0.00 174.74 171.60