#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 5.55 0.45 6.12 -0.87 -1.26 -5.00 114.94 119.93 2jqo s ASN 2 Ca 0.00 2.60 -0.05 0.00 -1.57 0.00 0.00 52.86 53.84 2jqo s ASN 2 Cb 0.00 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 2jqo s ASN 2 CO 0.00 -1.36 0.75 -0.54 -2.57 0.00 0.00 177.10 173.37 2jqo s LYS 3 N -2.86 3.56 0.07 -0.60 1.02 -1.26 -5.00 119.74 114.68 2jqo s LYS 3 Ca 0.69 0.15 -0.00 0.00 0.02 0.00 0.00 55.97 56.83 2jqo s LYS 3 Cb -0.36 -2.42 -0.26 0.00 -0.52 0.00 0.00 37.83 34.27 2jqo s LYS 3 CO 0.43 -0.13 1.12 -0.91 -0.92 0.00 0.00 175.35 174.94 2jqo h ASN 4 N 0.45 0.27 -3.76 2.83 -0.26 -1.95 -3.44 115.58 109.73 2jqo h ASN 4 Ca -0.47 -0.31 -0.49 0.00 -0.56 0.00 0.00 56.30 54.47 2jqo h ASN 4 Cb 1.20 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.35 2jqo h ASN 4 CO 0.62 1.25 0.34 -0.70 -1.06 0.00 0.00 177.43 177.88 2jqo s GLU 5 N -2.66 4.81 0.00 0.81 2.12 -1.26 -4.94 118.70 117.57 2jqo s GLU 5 Ca -0.03 1.45 0.30 0.00 0.36 0.00 0.00 54.97 57.05 2jqo s GLU 5 Cb 0.08 -3.21 1.49 0.00 0.26 0.00 0.00 34.13 32.75 2jqo s GLU 5 CO 0.86 0.49 2.00 1.04 -0.54 0.00 0.00 175.26 179.11 2jqo n GLN 6 N 1.36 0.98 -4.62 4.30 6.02 -1.26 -4.82 117.38 119.34 2jqo n GLN 6 Ca -0.02 -0.26 -0.31 0.00 -0.01 0.00 0.00 57.00 56.41 2jqo n GLN 6 Cb 0.48 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 30.16 2jqo n GLN 6 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2jqo s ASN 7 N -2.20 4.14 -1.08 1.08 0.01 -1.26 -4.73 114.94 110.90 2jqo s ASN 7 Ca 0.38 -1.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.01 2jqo s ASN 7 Cb 0.21 0.26 0.00 0.00 0.41 0.00 0.00 41.25 42.13 2jqo s ASN 7 CO 0.40 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 2jqo n GLY 8 N -1.24 0.32 0.26 0.66 0.00 -1.26 -4.91 105.19 99.02 2jqo n GLY 8 Ca -0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 2jqo n GLY 8 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jqo h ASP 9 N 0.00 0.70 0.79 1.61 2.03 -1.90 -2.91 116.42 116.74 2jqo h ASP 9 Ca -0.27 -0.23 -0.14 0.00 -0.73 0.00 0.00 57.03 55.67 2jqo h ASP 9 Cb 1.07 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.36 2jqo h ASP 9 CO 0.34 0.88 -0.64 -0.08 -1.03 0.00 0.00 179.24 178.71 2jqo h GLU 10 N 0.63 0.00 -5.97 4.15 4.81 -1.99 -3.43 114.58 112.78 2jqo h GLU 10 Ca 0.10 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.76 2jqo h GLU 10 Cb 0.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2jqo h GLU 10 CO 0.05 0.64 1.48 0.99 -0.73 0.00 0.00 179.01 181.44 2jqo s THR 11 N -3.39 3.09 -0.27 0.32 2.01 -1.10 -4.95 115.64 111.35 2jqo s THR 11 Ca -0.00 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 2jqo s THR 11 Cb 0.12 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.51 2jqo s THR 11 CO 0.76 -0.10 0.01 -0.54 -0.69 0.00 0.00 174.62 174.07 2jqo s LYS 12 N 6.59 2.98 0.05 4.92 1.02 -1.26 -5.06 119.74 128.99 2jqo s LYS 12 Ca 0.96 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 56.10 2jqo s LYS 12 Cb -0.28 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2jqo s LYS 12 CO 0.33 -0.42 -0.16 -1.64 -0.92 0.00 0.00 175.35 172.55 2jqo s MET 13 N 1.42 1.00 -0.31 1.68 -1.94 -1.26 -4.97 119.30 114.91 2jqo s MET 13 Ca 0.02 -0.85 -0.23 0.00 -1.71 0.00 0.00 55.69 52.91 2jqo s MET 13 Cb -0.17 -1.04 0.00 0.00 2.01 0.00 0.00 34.83 35.63 2jqo s MET 13 CO -0.01 0.25 0.77 -0.65 -0.01 0.00 0.00 175.02 175.38 2jqo s GLN 14 N -1.31 3.92 -0.09 2.03 -0.21 -0.53 -4.84 119.66 118.64 2jqo s GLN 14 Ca 0.02 0.51 -0.15 0.00 0.02 0.00 0.00 55.36 55.77 2jqo s GLN 14 Cb -0.09 -3.74 -0.05 0.00 1.00 0.00 0.00 33.01 30.14 2jqo s GLN 14 CO 0.02 -0.69 0.38 -1.54 -2.12 0.00 0.00 175.29 171.33 2jqo s SER 15 N 1.65 6.63 -0.04 5.90 1.04 -1.25 -1.60 113.70 126.03 2jqo s SER 15 Ca 0.31 0.75 0.01 0.00 0.48 0.00 0.00 55.95 57.50 2jqo s SER 15 Cb -0.14 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.77 2jqo s SER 15 CO 0.13 0.16 -0.06 -0.22 0.98 0.00 0.00 173.24 174.24 2jqo s LEU 16 N -0.08 1.44 -0.10 2.42 1.98 0.14 -4.94 118.68 119.55 2jqo s LEU 16 Ca 0.22 -0.15 -0.16 0.00 -2.89 0.00 0.00 54.13 51.15 2jqo s LEU 16 Cb -0.15 -0.48 -0.05 0.00 0.66 0.00 0.00 46.19 46.17 2jqo s LEU 16 CO 0.09 -0.03 0.39 -0.69 -1.89 0.00 0.00 176.35 174.23 2jqo s VAL 17 N 0.76 5.18 0.23 1.68 1.01 -1.26 -0.41 120.40 127.60 2jqo s VAL 17 Ca -0.11 0.78 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 2jqo s VAL 17 Cb -0.14 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2jqo s VAL 17 CO 0.01 0.42 0.56 -0.83 0.00 0.00 0.00 175.10 175.26 2jqo s GLY 18 N 0.05 0.09 -0.13 4.51 0.00 -0.17 -4.70 107.32 106.98 2jqo s GLY 18 Ca 0.22 -0.44 -0.12 0.00 0.00 0.00 0.00 44.72 44.38 2jqo s GLY 18 CO 0.09 -0.32 0.26 -0.19 0.00 0.00 0.00 173.10 172.94 2jqo s TYR 19 N -3.93 3.53 -0.55 1.90 2.02 -0.43 -1.50 117.35 118.39 2jqo s TYR 19 Ca 0.14 0.62 -0.26 0.00 -0.37 0.00 0.00 57.07 57.20 2jqo s TYR 19 Cb -0.02 -2.22 0.04 0.00 -0.40 0.00 0.00 41.96 39.35 2jqo s TYR 19 CO 0.03 0.43 1.04 0.08 -1.57 0.00 0.00 175.55 175.56 2jqo s VAL 20 N -0.16 4.25 -0.18 0.71 1.01 0.82 -0.62 120.40 126.23 2jqo s VAL 20 Ca 0.16 0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.81 2jqo s VAL 20 Cb -0.13 -4.61 -0.17 0.00 0.00 0.00 0.00 36.38 31.48 2jqo s VAL 20 CO 0.05 -1.18 -0.06 1.33 0.00 0.00 0.00 175.10 175.24 2jqo n VAL 21 N 6.41 1.13 -4.17 2.92 0.24 -1.02 -0.44 118.33 123.40 2jqo n VAL 21 Ca 0.05 -0.56 -0.16 0.00 -2.04 0.00 0.00 64.34 61.63 2jqo n VAL 21 Cb 0.48 -0.89 -0.14 0.00 -1.47 0.00 0.00 33.84 31.82 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 -5.66 2.02 -0.07 1.34 1.43 -1.07 -4.48 118.68 112.19 2jqo s LEU 22 Ca -0.17 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2jqo s LEU 22 Cb 0.06 -0.28 0.03 0.00 0.03 0.00 0.00 46.19 46.03 2jqo s LEU 22 CO 0.56 0.06 0.02 -0.75 0.23 0.00 0.00 176.35 176.47 2jqo s LYS 23 N -0.18 0.47 0.58 1.70 2.20 -1.26 -0.08 119.74 123.17 2jqo s LYS 23 Ca 0.02 0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.82 2jqo s LYS 23 Cb -0.02 -0.96 0.08 0.00 -1.51 0.00 0.00 37.83 35.41 2jqo s LYS 23 CO -0.00 -0.33 0.80 0.34 -0.36 0.00 0.00 175.35 175.80 2jqo s ASP 24 N 2.01 5.02 0.23 1.43 2.15 0.63 -4.96 116.67 123.18 2jqo s ASP 24 Ca 0.05 -0.60 -0.05 0.00 0.43 0.00 0.00 52.55 52.37 2jqo s ASP 24 Cb -0.13 -0.02 0.23 0.00 -0.30 0.00 0.00 42.92 42.71 2jqo s ASP 24 CO -0.05 -1.36 1.76 0.78 -0.17 0.00 0.00 175.17 176.13 2jqo h ASN 25 N 0.07 0.96 0.00 -0.34 2.35 -2.02 -3.35 115.58 113.25 2jqo h ASN 25 Ca -0.34 -0.19 -0.25 0.00 -0.55 0.00 0.00 56.30 54.97 2jqo h ASN 25 Cb 1.28 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.36 2jqo h ASN 25 CO 0.42 0.92 -1.92 -0.62 -1.65 0.00 0.00 177.43 174.59 2jqo n GLU 26 N -4.25 0.40 -3.65 0.81 1.02 -1.26 -4.83 120.64 108.88 2jqo n GLU 26 Ca 0.05 0.10 -0.39 0.00 -0.02 0.00 0.00 57.16 56.91 2jqo n GLU 26 Cb 0.24 -1.29 -0.12 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.32 3.36 -0.26 3.49 0.52 -1.26 0.40 118.95 122.88 2jqo s ARG 27 Ca -0.22 -0.71 -0.10 0.00 -0.52 0.00 0.00 55.73 54.18 2jqo s ARG 27 Cb 0.06 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.92 2jqo s ARG 27 CO 0.36 -0.41 0.16 0.00 0.02 0.00 0.00 175.30 175.43 2jqo s ALA 28 N 1.62 3.50 -0.43 2.13 0.00 -0.02 -0.27 121.76 128.30 2jqo s ALA 28 Ca 0.05 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 2jqo s ALA 28 Cb -0.17 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.61 2jqo s ALA 28 CO 0.06 -0.40 0.66 0.42 0.00 0.00 0.00 175.76 176.50 2jqo s ILE 29 N 1.47 4.82 0.05 0.00 1.01 0.89 -0.39 121.20 129.04 2jqo s ILE 29 Ca 0.07 0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.99 2jqo s ILE 29 Cb -0.15 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2jqo s ILE 29 CO 0.08 -0.56 -0.04 -0.76 0.00 0.00 0.00 174.94 173.66 2jqo s LEU 30 N 2.85 3.32 -0.33 2.97 1.43 0.67 -2.42 118.68 127.17 2jqo s LEU 30 Ca 0.24 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.07 2jqo s LEU 30 Cb -0.14 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2jqo s LEU 30 CO 0.19 0.23 0.17 -0.63 0.23 0.00 0.00 176.35 176.53 2jqo s ILE 31 N -1.16 4.52 -0.29 -0.59 1.01 0.21 -1.08 121.20 123.83 2jqo s ILE 31 Ca 0.21 -0.63 0.23 0.00 0.00 0.00 0.00 60.65 60.46 2jqo s ILE 31 Cb -0.11 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 2jqo s ILE 31 CO 0.13 -0.05 1.04 0.35 0.00 0.00 0.00 174.94 176.40 2jqo n THR 32 N 4.97 0.54 -1.96 2.92 -2.24 -1.17 -1.32 114.28 116.03 2jqo n THR 32 Ca -0.13 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 2jqo n THR 32 Cb 0.48 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 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 -5.12 6.59 -1.09 3.42 2.15 -0.86 -4.87 116.67 116.90 2jqo s ASP 33 Ca -0.00 2.25 -0.22 0.00 0.43 0.00 0.00 52.55 55.01 2jqo s ASP 33 Cb 0.10 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.20 2jqo s ASP 33 CO 0.79 -0.99 1.72 -0.89 -0.17 0.00 0.00 175.17 175.63 2jqo s THR 34 N 4.26 3.79 -0.01 1.71 2.01 -1.26 -4.85 115.64 121.29 2jqo s THR 34 Ca 0.76 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.78 2jqo s THR 34 Cb -0.34 -4.76 0.01 0.00 0.01 0.00 0.00 72.50 67.42 2jqo s THR 34 CO 0.31 -1.57 0.02 -0.75 -0.69 0.00 0.00 174.62 171.95 2jqo s LYS 35 N 5.53 -0.00 -0.17 4.92 2.20 -1.26 -5.12 119.74 125.83 2jqo s LYS 35 Ca 0.57 0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.97 2jqo s LYS 35 Cb -0.01 -0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.21 2jqo s LYS 35 CO 0.00 -0.06 1.44 0.00 -0.36 0.00 0.00 175.35 176.37 2jqo s ALA 36 N 0.37 3.53 -0.32 3.13 0.00 -1.26 -4.97 121.76 122.23 2jqo s ALA 36 Ca -0.03 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 2jqo s ALA 36 Cb -0.04 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 19.37 2jqo s ALA 36 CO -0.01 -1.48 1.14 -2.14 0.00 0.00 0.00 175.76 173.27 2jqo s PRO 37 N 3.98 4.00 0.00 0.00 0.02 -1.26 -5.01 135.00 136.73 2jqo s PRO 37 Ca 0.63 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.74 2jqo s PRO 37 Cb -0.24 -3.79 0.00 0.00 0.02 0.00 0.00 34.50 30.49 2jqo s PRO 37 CO 0.23 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 2jqo n GLY 38 N 4.06 2.76 0.26 0.52 0.00 -1.26 -4.92 105.19 106.61 2jqo n GLY 38 Ca 0.13 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 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 0.63 -0.14 1.61 3.64 -1.98 -1.69 116.57 118.65 2jqo h LYS 39 Ca 0.00 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 2jqo h LYS 39 Cb 0.00 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2jqo h LYS 39 CO 0.00 0.42 -0.33 0.93 -2.27 0.00 0.00 179.45 178.20 2jqo h GLU 40 N 0.65 0.28 -0.45 1.90 4.39 -1.98 0.31 114.58 119.69 2jqo h GLU 40 Ca 0.30 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.81 2jqo h GLU 40 Cb 0.22 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2jqo h GLU 40 CO -0.20 0.58 -0.04 -0.44 -1.16 0.00 0.00 179.01 177.76 2jqo h ASP 41 N 0.25 0.73 0.43 1.42 5.19 -1.69 -1.79 116.42 120.96 2jqo h ASP 41 Ca 0.03 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2jqo h ASP 41 Cb 0.71 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2jqo h ASP 41 CO 0.05 0.82 -0.18 -1.22 -3.12 0.00 0.00 179.24 175.60 2jqo n TYR 42 N -4.20 0.00 0.04 4.55 4.01 -0.79 -3.32 117.16 117.45 2jqo n TYR 42 Ca 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.75 2jqo n TYR 42 Cb 0.31 -0.22 -0.08 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.52 0.00 -4.02 7.72 2.35 -0.16 -3.46 115.58 118.53 2jqo h ASN 43 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 2jqo h ASN 43 Cb 0.42 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.84 2jqo h ASN 43 CO 0.00 0.65 0.45 -0.76 -1.65 0.00 0.00 177.43 176.12 2jqo s LEU 44 N -5.98 3.96 0.72 1.61 1.43 -0.77 -5.02 118.68 114.63 2jqo s LEU 44 Ca -0.02 2.19 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 2jqo s LEU 44 Cb 0.08 -4.34 0.02 0.00 0.03 0.00 0.00 46.19 41.98 2jqo s LEU 44 CO 0.80 -0.89 1.07 -0.94 0.23 0.00 0.00 176.35 176.62 2jqo s SER 45 N -1.56 5.21 0.27 2.29 1.04 -1.26 -4.77 113.70 114.92 2jqo s SER 45 Ca 0.65 1.49 -0.01 0.00 0.48 0.00 0.00 55.95 58.56 2jqo s SER 45 Cb -0.25 -2.34 0.53 0.00 0.10 0.00 0.00 66.02 64.06 2jqo s SER 45 CO 0.30 -1.53 1.79 -0.08 0.98 0.00 0.00 173.24 174.69 2jqo h GLU 46 N -0.78 0.71 0.32 4.02 4.81 -1.96 0.24 114.58 121.94 2jqo h GLU 46 Ca -0.45 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2jqo h GLU 46 Cb 1.23 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2jqo h GLU 46 CO 0.58 0.47 -0.15 0.78 -0.73 0.00 0.00 179.01 179.96 2jqo h GLY 47 N 0.73 -0.45 1.33 1.92 0.00 -1.98 0.44 103.07 105.07 2jqo h GLY 47 Ca 0.47 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.89 2jqo h GLY 47 CO -0.32 -0.16 0.03 1.46 0.00 0.00 0.00 176.54 177.55 2jqo h GLN 48 N -0.43 0.82 -0.53 4.80 4.20 -1.76 0.09 115.11 122.30 2jqo h GLN 48 Ca -0.04 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 2jqo h GLN 48 Cb 0.33 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2jqo h GLN 48 CO 0.07 0.80 0.30 1.25 -0.67 0.00 0.00 178.83 180.59 2jqo h LEU 49 N 0.77 0.65 -1.35 1.46 5.85 -0.42 -1.88 115.31 120.38 2jqo h LEU 49 Ca 0.15 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jqo h LEU 49 Cb 0.42 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2jqo h LEU 49 CO 0.01 0.53 -0.02 -0.03 -0.34 0.00 0.00 178.44 178.60 2jqo h MET 50 N 0.71 0.00 -0.09 1.25 4.05 -0.30 -1.99 114.93 118.56 2jqo h MET 50 Ca 0.19 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.38 2jqo h MET 50 Cb 0.02 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2jqo h MET 50 CO -0.03 0.02 -0.85 -0.91 0.23 0.00 0.00 176.91 175.37 2jqo h ASN 51 N 0.00 0.82 0.03 1.39 -0.26 -0.20 -2.27 115.58 115.08 2jqo h ASN 51 Ca -0.00 -0.58 -0.04 0.00 -0.56 0.00 0.00 56.30 55.13 2jqo h ASN 51 Cb 0.56 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.58 2jqo h ASN 51 CO 0.00 1.37 -0.16 0.50 -1.06 0.00 0.00 177.43 178.08 2jqo h LYS 52 N 0.43 0.06 -0.85 0.81 3.64 -1.25 -3.32 116.57 116.08 2jqo h LYS 52 Ca -0.07 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 2jqo h LYS 52 Cb 1.48 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.27 2jqo h LYS 52 CO 0.17 1.03 0.14 1.19 -2.27 0.00 0.00 179.45 179.70 2jqo n PHE 53 N -4.52 1.39 -0.31 1.91 3.01 -0.76 -4.61 117.46 113.57 2jqo n PHE 53 Ca -0.11 -0.72 0.11 0.00 1.01 0.00 0.00 57.45 57.74 2jqo n PHE 53 Cb 0.54 -0.45 0.28 0.00 -0.01 0.00 0.00 39.48 39.83 2jqo n PHE 53 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2jqo h LYS 54 N 1.64 0.52 -0.68 -1.08 3.64 -1.51 0.18 116.57 119.29 2jqo h LYS 54 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2jqo h LYS 54 Cb 1.61 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 2jqo h LYS 54 CO 0.41 0.35 0.00 0.09 -2.27 0.00 0.00 179.45 178.02 2jqo n ASN 55 N -4.94 4.05 -1.84 4.20 5.03 -1.26 -4.33 115.26 116.18 2jqo n ASN 55 Ca 0.20 -2.18 -0.03 0.00 0.87 0.00 0.00 54.58 53.44 2jqo n ASN 55 Cb 0.55 -0.51 0.02 0.00 -1.02 0.00 0.00 39.78 38.83 2jqo n ASN 55 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2jqo n ASN 56 N 1.32 -0.53 -4.25 6.41 2.85 0.43 -5.05 115.26 116.45 2jqo n ASN 56 Ca 0.24 -2.07 -0.32 0.00 -0.11 0.00 0.00 54.58 52.32 2jqo n ASN 56 Cb 0.70 0.24 -0.17 0.00 1.24 0.00 0.00 39.78 41.79 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2jqo s ILE 57 N -0.42 2.09 -0.13 -1.44 2.07 -0.03 -2.02 121.20 121.31 2jqo s ILE 57 Ca 0.11 -1.03 0.02 0.00 -1.41 0.00 0.00 60.65 58.35 2jqo s ILE 57 Cb 0.24 -1.78 0.01 0.00 0.13 0.00 0.00 42.46 41.07 2jqo s ILE 57 CO -0.07 0.56 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.63 2jqo s VAL 58 N 0.11 1.90 -0.34 4.00 1.01 -0.24 -3.69 120.40 123.15 2jqo s VAL 58 Ca -0.12 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 2jqo s VAL 58 Cb -0.16 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 2jqo s VAL 58 CO 0.06 0.52 0.22 -0.63 0.00 0.00 0.00 175.10 175.27 2jqo s ILE 59 N 0.84 5.07 -0.01 2.22 1.01 -0.95 -0.24 121.20 129.15 2jqo s ILE 59 Ca -0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 2jqo s ILE 59 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2jqo s ILE 59 CO -0.01 -0.02 0.22 0.68 0.00 0.00 0.00 174.94 175.81 2jqo s VAL 60 N 1.68 5.38 -0.36 2.92 -7.23 0.47 -1.04 120.40 122.23 2jqo s VAL 60 Ca 0.05 0.01 -0.17 0.00 -1.81 0.00 0.00 61.98 60.06 2jqo s VAL 60 Cb -0.17 -3.54 -0.00 0.00 0.56 0.00 0.00 36.38 33.22 2jqo s VAL 60 CO 0.09 0.36 0.46 -0.83 -0.31 0.00 0.00 175.10 174.87 2jqo s GLY 61 N -1.79 1.85 0.00 2.32 0.00 0.63 -0.84 107.32 109.50 2jqo s GLY 61 Ca 0.27 -1.15 0.19 0.00 0.00 0.00 0.00 44.72 44.03 2jqo s GLY 61 CO 0.17 1.17 1.56 1.04 0.00 0.00 0.00 173.10 177.04 2jqo n LEU 62 N 5.63 1.23 -0.24 0.66 4.77 0.16 -1.90 117.00 127.31 2jqo n LEU 62 Ca -0.06 -0.52 0.07 0.00 -0.03 0.00 0.00 56.01 55.46 2jqo n LEU 62 Cb 0.49 -0.08 0.32 0.00 -2.33 0.00 0.00 43.42 41.81 2jqo n LEU 62 CO 0.44 0.26 1.23 0.28 -1.33 0.00 0.00 177.39 178.27 2jqo h SER 63 N 1.61 0.74 0.53 -1.43 0.02 -1.85 0.24 113.55 113.40 2jqo h SER 63 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2jqo h SER 63 Cb 0.35 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2jqo h SER 63 CO 0.00 0.46 -0.19 -0.62 -1.14 0.00 0.00 176.83 175.34 2jqo n GLU 64 N -4.50 0.38 -0.05 3.45 1.02 -1.26 -3.46 120.64 116.21 2jqo n GLU 64 Ca 0.13 -0.14 -0.19 0.00 -0.02 0.00 0.00 57.16 56.94 2jqo n GLU 64 Cb 0.26 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 2jqo n GLU 64 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2jqo n ILE 65 N -1.19 1.65 0.00 -3.67 5.41 0.16 -4.95 119.36 116.76 2jqo n ILE 65 Ca 0.10 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.22 2jqo n ILE 65 Cb 0.31 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 2jqo n ILE 65 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2jqo n ASP 66 N -3.35 0.00 -3.69 4.38 2.03 0.59 -4.70 116.55 111.82 2jqo n ASP 66 Ca -0.37 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.65 2jqo n ASP 66 Cb 1.03 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 41.30 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 0.00 3.50 -0.17 1.67 3.84 -1.26 -4.84 114.94 117.68 2jqo s ASN 67 Ca 0.00 -2.78 0.15 0.00 0.21 0.00 0.00 52.86 50.44 2jqo s ASN 67 Cb 0.00 -1.00 0.36 0.00 -0.55 0.00 0.00 41.25 40.05 2jqo s ASN 67 CO 0.00 -0.24 1.19 0.41 -2.79 0.00 0.00 177.10 175.67 2jqo n THR 68 N 3.33 2.05 0.29 -5.21 -1.04 -1.26 -4.82 114.28 107.62 2jqo n THR 68 Ca 0.12 -2.70 0.19 0.00 -2.04 0.00 0.00 64.05 59.62 2jqo n THR 68 Cb 0.36 -0.24 1.00 0.00 -1.82 0.00 0.00 70.33 69.63 2jqo n THR 68 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2jqo h ASP 69 N 0.50 0.00 0.42 8.00 5.19 -1.96 -1.38 116.42 127.19 2jqo h ASP 69 Ca 0.01 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2jqo h ASP 69 Cb 1.03 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 2jqo h ASP 69 CO 0.01 0.00 -0.25 -0.78 -3.12 0.00 0.00 179.24 175.10 2jqo h ASP 70 N 0.00 0.00 -3.95 6.45 3.58 -2.02 -3.44 116.42 117.04 2jqo h ASP 70 Ca 0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 2jqo h ASP 70 Cb 0.03 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.11 2jqo h ASP 70 CO 0.00 0.25 0.44 -0.76 -2.88 0.00 0.00 179.24 176.29 2jqo s LEU 71 N -7.75 4.16 0.25 2.28 1.02 -0.52 -5.06 118.68 113.06 2jqo s LEU 71 Ca -0.02 2.13 0.12 0.00 0.02 0.00 0.00 54.13 56.37 2jqo s LEU 71 Cb 0.14 -4.12 -0.05 0.00 0.02 0.00 0.00 46.19 42.17 2jqo s LEU 71 CO 0.66 -0.54 -0.20 -0.54 0.02 0.00 0.00 176.35 175.75 2jqo s LYS 72 N -2.41 1.67 -1.24 1.70 1.02 -1.26 -5.04 119.74 114.18 2jqo s LYS 72 Ca 0.57 -1.65 -0.17 0.00 0.02 0.00 0.00 55.97 54.74 2jqo s LYS 72 Cb -0.25 -1.83 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 2jqo s LYS 72 CO 0.31 0.36 2.08 2.89 -0.92 0.00 0.00 175.35 180.06 2jqo n ARG 73 N -0.32 2.47 0.00 1.68 1.85 -1.26 -3.69 116.66 117.39 2jqo n ARG 73 Ca -0.08 -2.47 0.00 0.00 -1.00 0.00 0.00 57.85 54.30 2jqo n ARG 73 Cb 0.58 -3.24 0.00 0.00 -1.05 0.00 0.00 32.46 28.76 2jqo n ARG 73 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jqo n GLY 74 N 4.45 0.00 1.30 2.89 0.00 0.41 -4.76 105.19 109.49 2jqo n GLY 74 Ca 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.29 -4.32 1.61 1.02 -0.94 -4.97 120.64 113.33 2jqo n GLU 75 Ca 0.00 -1.34 -0.27 0.00 -0.02 0.00 0.00 57.16 55.52 2jqo n GLU 75 Cb 0.00 1.02 -0.17 0.00 -0.02 0.00 0.00 31.44 32.28 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 -2.56 1.94 0.19 3.49 2.20 -1.26 -0.13 119.74 123.62 2jqo s LYS 76 Ca 0.14 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 2jqo s LYS 76 Cb 0.01 -1.72 -0.05 0.00 -1.51 0.00 0.00 37.83 34.56 2jqo s LYS 76 CO 0.10 -0.10 0.05 0.96 -0.36 0.00 0.00 175.35 176.00 2jqo s ILE 77 N 1.12 0.45 -0.24 5.43 -4.36 -0.56 -0.96 121.20 122.08 2jqo s ILE 77 Ca -0.05 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.36 2jqo s ILE 77 Cb -0.14 -2.30 0.07 0.00 1.25 0.00 0.00 42.46 41.34 2jqo s ILE 77 CO -0.03 -0.28 0.03 -0.75 0.24 0.00 0.00 174.94 174.15 2jqo s LYS 78 N -4.00 0.93 0.15 0.37 2.20 0.54 -1.00 119.74 118.93 2jqo s LYS 78 Ca 0.30 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 2jqo s LYS 78 Cb 0.07 -2.22 -0.05 0.00 -1.51 0.00 0.00 37.83 34.12 2jqo s LYS 78 CO 0.07 -0.74 0.37 0.14 -0.36 0.00 0.00 175.35 174.84 2jqo s VAL 79 N 1.65 5.18 -0.21 4.02 -7.23 0.46 0.42 120.40 124.68 2jqo s VAL 79 Ca 0.01 -0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.12 2jqo s VAL 79 Cb -0.18 -3.64 0.01 0.00 0.56 0.00 0.00 36.38 33.14 2jqo s VAL 79 CO -0.13 0.00 -0.11 0.26 -0.31 0.00 0.00 175.10 174.82 2jqo s TRP 80 N -1.69 2.93 0.44 2.82 0.51 0.26 -0.69 118.94 123.53 2jqo s TRP 80 Ca 0.40 -1.42 0.03 0.00 -2.12 0.00 0.00 56.10 52.99 2jqo s TRP 80 Cb -0.12 -2.02 -0.03 0.00 -0.81 0.00 0.00 33.47 30.49 2jqo s TRP 80 CO 0.26 -0.71 0.06 -0.59 -0.51 0.00 0.00 176.95 175.46 2jqo s PHE 81 N 1.35 1.91 -0.19 -1.98 -0.12 -0.63 -2.91 117.98 115.41 2jqo s PHE 81 Ca 0.03 -1.06 -0.08 0.00 -0.05 0.00 0.00 56.93 55.77 2jqo s PHE 81 Cb -0.15 -1.41 -0.21 0.00 -0.63 0.00 0.00 43.02 40.62 2jqo s PHE 81 CO -0.07 0.02 0.11 0.72 -0.05 0.00 0.00 175.22 175.94 2jqo n HIS 82 N -1.04 0.76 -3.83 3.49 8.25 -1.26 -1.45 115.22 120.14 2jqo n HIS 82 Ca -0.11 0.20 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 2jqo n HIS 82 Cb 0.66 -1.09 0.02 0.00 1.12 0.00 0.00 29.99 30.70 2jqo n HIS 82 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2jqo s THR 83 N -2.51 0.00 -0.04 1.59 -1.32 -1.26 -4.79 115.64 107.31 2jqo s THR 83 Ca -0.29 -0.86 0.05 0.00 -1.21 0.00 0.00 61.69 59.38 2jqo s THR 83 Cb 0.08 -2.79 -0.01 0.00 -1.51 0.00 0.00 72.50 68.28 2jqo s THR 83 CO 0.66 0.00 -0.20 -0.13 -2.21 0.00 0.00 174.62 172.74 2jqo s ARG 84 N -2.42 2.03 -0.62 7.08 0.52 -1.26 -4.47 118.95 119.81 2jqo s ARG 84 Ca 0.17 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.49 2jqo s ARG 84 Cb -0.04 -1.77 0.15 0.00 0.52 0.00 0.00 34.95 33.81 2jqo s ARG 84 CO 0.09 0.32 0.60 0.21 0.02 0.00 0.00 175.30 176.54 2jqo s LYS 85 N -0.11 3.14 -1.01 3.54 2.47 0.15 -4.96 119.74 122.96 2jqo s LYS 85 Ca -0.02 -1.83 -0.19 0.00 -1.56 0.00 0.00 55.97 52.38 2jqo s LYS 85 Cb -0.12 -4.34 0.12 0.00 -1.46 0.00 0.00 37.83 32.04 2jqo s LYS 85 CO 0.02 -1.36 1.27 -2.00 0.16 0.00 0.00 175.35 173.44 2jqo s GLU 86 N 1.45 3.70 0.00 4.03 -6.30 -1.26 -0.39 118.70 119.92 2jqo s GLU 86 Ca 0.08 -1.79 0.14 0.00 -2.50 0.00 0.00 54.97 50.90 2jqo s GLU 86 Cb -0.24 -5.05 0.20 0.00 0.00 0.00 0.00 34.13 29.03 2jqo s GLU 86 CO 0.01 -1.87 1.06 -1.13 0.02 0.00 0.00 175.26 173.35 2jqo n SER 87 N 6.91 2.49 -2.56 -1.70 3.41 -1.26 -4.93 113.62 115.97 2jqo n SER 87 Ca 0.29 -1.71 -0.05 0.00 -0.26 0.00 0.00 58.87 57.13 2jqo n SER 87 Cb 0.48 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.81 -1.24 -4.81 4.04 2.85 -1.26 -4.89 115.26 110.76 2jqo n ASN 88 Ca 0.10 1.41 -0.33 0.00 -0.11 0.00 0.00 54.58 55.65 2jqo n ASN 88 Cb 0.39 -5.28 -0.02 0.00 1.24 0.00 0.00 39.78 36.11 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 -0.67 3.69 0.03 1.20 0.04 -1.26 -5.08 135.00 132.95 2jqo s PRO 89 Ca -0.26 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.69 2jqo s PRO 89 Cb 0.02 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 2jqo s PRO 89 CO 0.71 -0.50 1.95 -2.30 0.04 0.00 0.00 177.00 176.90 2jqo n PRO 90 N -1.41 2.75 -4.22 0.56 -0.02 -1.24 -4.82 135.00 126.59 2jqo n PRO 90 Ca 0.08 1.01 -0.34 0.00 -2.02 0.00 0.00 63.50 62.23 2jqo n PRO 90 Cb 0.53 -2.94 -0.08 0.00 -0.02 0.00 0.00 33.50 30.98 2jqo n PRO 90 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jqo s SER 91 N 4.24 5.45 -0.07 2.55 0.01 0.48 -2.24 113.70 124.12 2jqo s SER 91 Ca 0.89 0.14 -0.03 0.00 1.31 0.00 0.00 55.95 58.26 2jqo s SER 91 Cb -0.48 -1.55 0.04 0.00 0.21 0.00 0.00 66.02 64.24 2jqo s SER 91 CO 0.43 0.33 0.13 0.00 0.41 0.00 0.00 173.24 174.54 2jqo s ALA 92 N -1.04 -0.06 -0.47 1.44 0.00 -0.21 0.30 121.76 121.73 2jqo s ALA 92 Ca 0.18 0.47 -0.28 0.00 0.00 0.00 0.00 51.96 52.32 2jqo s ALA 92 Cb -0.12 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.34 2jqo s ALA 92 CO 0.08 -0.47 1.08 0.99 0.00 0.00 0.00 175.76 177.43 2jqo s THR 93 N 2.06 4.28 0.23 0.00 2.01 -1.26 -0.27 115.64 122.69 2jqo s THR 93 Ca 0.01 1.08 -0.01 0.00 0.31 0.00 0.00 61.69 63.09 2jqo s THR 93 Cb -0.12 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 2jqo s THR 93 CO -0.05 -0.96 0.42 0.27 -0.69 0.00 0.00 174.62 173.61 2jqo s ILE 94 N 4.26 5.18 -0.02 1.82 -4.36 -0.80 -4.31 121.20 122.98 2jqo s ILE 94 Ca 0.45 -0.38 0.02 0.00 -0.26 0.00 0.00 60.65 60.47 2jqo s ILE 94 Cb -0.08 -3.75 -0.02 0.00 1.25 0.00 0.00 42.46 39.85 2jqo s ILE 94 CO 0.30 -0.24 0.01 0.00 0.24 0.00 0.00 174.94 175.25 2jqo n GLN 95 N -0.85 3.52 -4.13 0.37 6.02 -1.15 -4.40 117.38 116.76 2jqo n GLN 95 Ca -0.05 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.82 2jqo n GLN 95 Cb 0.54 -1.04 -0.11 0.00 1.02 0.00 0.00 30.24 30.65 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 -2.05 0.73 -0.06 -1.09 1.02 -1.22 -4.71 119.74 112.37 2jqo s LYS 96 Ca -0.01 -1.08 -0.20 0.00 0.02 0.00 0.00 55.97 54.69 2jqo s LYS 96 Cb 0.01 -0.33 0.04 0.00 -0.52 0.00 0.00 37.83 37.02 2jqo s LYS 96 CO 0.07 0.04 0.46 1.52 -0.92 0.00 0.00 175.35 176.52 2jqo s TYR 97 N -2.50 -0.40 -0.21 3.18 1.13 -1.26 -0.58 117.35 116.71 2jqo s TYR 97 Ca 0.02 0.74 -0.02 0.00 -1.41 0.00 0.00 57.07 56.41 2jqo s TYR 97 Cb -0.02 0.21 0.00 0.00 -1.10 0.00 0.00 41.96 41.05 2jqo s TYR 97 CO -0.02 -0.44 -0.09 -2.00 -2.51 0.00 0.00 175.55 170.49 2jqo s GLU 98 N -0.98 3.22 -0.22 -3.49 2.12 0.17 -4.96 118.70 114.55 2jqo s GLU 98 Ca -0.10 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.23 2jqo s GLU 98 Cb -0.03 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.49 2jqo s GLU 98 CO 0.05 -0.21 1.11 -1.17 -0.54 0.00 0.00 175.26 174.50 2jqo s LEU 99 N 1.41 4.10 -1.02 2.70 2.96 -1.26 -0.34 118.68 127.23 2jqo s LEU 99 Ca 0.05 1.43 -0.07 0.00 -0.22 0.00 0.00 54.13 55.32 2jqo s LEU 99 Cb -0.14 -3.54 0.26 0.00 0.50 0.00 0.00 46.19 43.27 2jqo s LEU 99 CO -0.06 -0.73 0.98 -0.76 -1.32 0.00 0.00 176.35 174.46 2jqo s LEU 100 N 3.36 6.09 0.04 -0.68 1.43 -0.13 -4.96 118.68 123.82 2jqo s LEU 100 Ca 0.47 -3.59 -0.30 0.00 -1.03 0.00 0.00 54.13 49.68 2jqo s LEU 100 Cb -0.17 -2.11 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 2jqo s LEU 100 CO 0.10 -0.27 1.27 -0.22 0.23 0.00 0.00 176.35 177.46 2jqo s LEU 101 N -1.21 4.34 0.27 1.79 2.96 -1.26 -4.32 118.68 121.25 2jqo s LEU 101 Ca 0.29 2.06 0.01 0.00 -0.22 0.00 0.00 54.13 56.26 2jqo s LEU 101 Cb -0.09 -3.57 0.38 0.00 0.50 0.00 0.00 46.19 43.40 2jqo s LEU 101 CO -0.09 -0.57 1.73 1.05 -1.32 0.00 0.00 176.35 177.15 2jqo h GLU 102 N 7.11 0.60 -5.47 1.98 9.09 -1.96 -3.33 114.58 122.60 2jqo h GLU 102 Ca -0.40 -0.20 -0.69 0.00 0.05 0.00 0.00 59.36 58.12 2jqo h GLU 102 Cb 1.20 -0.05 -0.12 0.00 -1.65 0.00 0.00 28.75 28.13 2jqo h GLU 102 CO 0.85 0.74 1.79 -1.01 0.05 0.00 0.00 179.01 181.43 2jqo s HIS 103 N -4.66 3.02 -1.26 2.06 3.76 -1.26 -4.89 115.29 112.06 2jqo s HIS 103 Ca -0.08 -1.72 -0.17 0.00 -0.15 0.00 0.00 55.06 52.94 2jqo s HIS 103 Cb 0.14 -4.58 -0.01 0.00 1.11 0.00 0.00 32.58 29.23 2jqo s HIS 103 CO 0.80 -1.67 2.11 0.72 -0.85 0.00 0.00 174.74 175.85 2jqo n HIS 104 N 7.43 3.16 0.00 1.40 8.25 -1.25 -4.19 115.22 130.01 2jqo n HIS 104 Ca 0.42 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 55.27 2jqo n HIS 104 Cb 0.45 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.22 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 6.86 0.00 -1.80 4.41 8.25 -1.26 -4.86 115.22 126.82 2jqo n HIS 105 Ca 0.51 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.56 2jqo n HIS 105 Cb 0.40 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.73 2.98 -0.05 4.41 -0.00 -1.26 -3.52 115.22 115.04 2jqo n HIS 106 Ca 0.00 -2.94 0.03 0.00 -0.00 0.00 0.00 57.72 54.81 2jqo n HIS 106 Cb 0.50 -2.30 0.08 0.00 -0.00 0.00 0.00 29.99 28.27 2jqo n HIS 106 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jqo n HIS 107 N 4.32 0.23 -0.70 1.57 -0.00 -1.26 -5.23 115.22 114.14 2jqo n HIS 107 Ca 0.58 -0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.33 2jqo n HIS 107 Cb 0.32 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 2jqo n HIS 107 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52