#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 6.25 0.10 7.83 -0.87 -1.26 -4.94 114.94 122.06 2jqo s ASN 2 Ca 0.00 0.28 0.00 0.00 -1.57 0.00 0.00 52.86 51.57 2jqo s ASN 2 Cb 0.00 -2.12 -0.22 0.00 -0.02 0.00 0.00 41.25 38.90 2jqo s ASN 2 CO 0.00 0.14 1.22 0.50 -2.57 0.00 0.00 177.10 176.39 2jqo h LYS 3 N 6.82 0.17 -4.58 -0.60 3.64 -2.04 -3.40 116.57 116.58 2jqo h LYS 3 Ca -0.40 -0.28 -0.70 0.00 -1.27 0.00 0.00 60.65 58.00 2jqo h LYS 3 Cb 1.16 0.10 -0.31 0.00 -0.41 0.00 0.00 32.23 32.77 2jqo h LYS 3 CO 0.74 1.11 -0.57 1.21 -2.27 0.00 0.00 179.45 179.67 2jqo s ASN 4 N -6.97 5.32 0.04 4.20 2.47 -1.26 -5.00 114.94 113.73 2jqo s ASN 4 Ca -0.02 -1.49 -0.30 0.00 0.42 0.00 0.00 52.86 51.47 2jqo s ASN 4 Cb 0.08 -1.87 -0.17 0.00 -1.45 0.00 0.00 41.25 37.85 2jqo s ASN 4 CO 0.85 -0.43 1.40 -0.33 -3.72 0.00 0.00 177.10 174.87 2jqo h GLU 5 N 8.19 -0.78 -5.92 0.43 5.08 -2.01 -3.35 114.58 116.22 2jqo h GLU 5 Ca -0.20 0.05 -0.62 0.00 -1.00 0.00 0.00 59.36 57.59 2jqo h GLU 5 Cb 1.07 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 30.39 2jqo h GLU 5 CO 0.66 -0.47 1.44 -1.14 -1.00 0.00 0.00 179.01 178.49 2jqo s GLN 6 N -5.36 3.62 -0.73 2.33 0.74 -1.26 -4.94 119.66 114.06 2jqo s GLN 6 Ca -0.16 -1.28 -0.24 0.00 0.05 0.00 0.00 55.36 53.74 2jqo s GLN 6 Cb 0.03 -5.30 0.06 0.00 1.10 0.00 0.00 33.01 28.90 2jqo s GLN 6 CO 0.55 -2.14 1.11 0.54 -0.55 0.00 0.00 175.29 174.80 2jqo s ASN 7 N 4.72 6.23 -0.03 6.67 4.22 -1.26 -4.98 114.94 130.52 2jqo s ASN 7 Ca 0.44 -0.94 -0.01 0.00 -2.14 0.00 0.00 52.86 50.21 2jqo s ASN 7 Cb -0.01 -2.47 0.02 0.00 1.28 0.00 0.00 41.25 40.07 2jqo s ASN 7 CO -0.09 -1.54 0.06 -0.83 -2.04 0.00 0.00 177.10 172.65 2jqo s GLY 8 N 3.79 0.01 -0.74 0.45 0.00 -1.26 -5.08 107.32 104.49 2jqo s GLY 8 Ca 0.29 0.27 -0.26 0.00 0.00 0.00 0.00 44.72 45.02 2jqo s GLY 8 CO 0.09 0.43 1.93 -0.35 0.00 0.00 0.00 173.10 175.19 2jqo s ASP 9 N 0.53 5.15 0.03 1.64 2.15 -1.26 -3.80 116.67 121.12 2jqo s ASP 9 Ca -0.04 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.85 2jqo s ASP 9 Cb -0.06 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2jqo s ASP 9 CO -0.02 -2.59 0.00 1.21 -0.17 0.00 0.00 175.17 173.60 2jqo n GLU 10 N 9.03 0.00 -3.10 4.34 2.13 -1.26 -5.00 120.64 126.78 2jqo n GLU 10 Ca 0.30 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.67 2jqo n GLU 10 Cb 0.50 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.18 2jqo n GLU 10 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2jqo s THR 11 N -2.00 5.11 0.34 6.31 -4.23 -1.25 -5.04 115.64 114.88 2jqo s THR 11 Ca 0.00 -1.96 -0.26 0.00 -1.18 0.00 0.00 61.69 58.29 2jqo s THR 11 Cb 0.00 -4.65 -0.09 0.00 1.34 0.00 0.00 72.50 69.10 2jqo s THR 11 CO 0.00 -1.30 1.03 -0.54 -0.54 0.00 0.00 174.62 173.26 2jqo s LYS 12 N 1.61 4.45 -0.20 3.99 1.02 -1.26 -5.00 119.74 124.35 2jqo s LYS 12 Ca 0.26 1.54 -0.19 0.00 0.02 0.00 0.00 55.97 57.60 2jqo s LYS 12 Cb -0.07 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 2jqo s LYS 12 CO -0.09 0.11 0.55 -1.64 -0.92 0.00 0.00 175.35 173.36 2jqo s MET 13 N -2.01 4.19 -0.32 1.68 -1.94 -1.26 -5.03 119.30 114.61 2jqo s MET 13 Ca 0.51 0.47 -0.26 0.00 -1.71 0.00 0.00 55.69 54.70 2jqo s MET 13 Cb -0.24 -3.57 0.01 0.00 2.01 0.00 0.00 34.83 33.04 2jqo s MET 13 CO 0.30 -0.19 0.93 -0.65 -0.01 0.00 0.00 175.02 175.41 2jqo s GLN 14 N 1.75 4.00 -0.02 2.03 -0.21 -1.23 -4.93 119.66 121.04 2jqo s GLN 14 Ca 0.25 0.80 -0.01 0.00 0.02 0.00 0.00 55.36 56.43 2jqo s GLN 14 Cb -0.16 -3.74 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 2jqo s GLN 14 CO 0.10 -0.81 0.09 0.45 -2.12 0.00 0.00 175.29 173.00 2jqo s SER 15 N 1.65 5.75 -0.01 5.90 0.15 -1.26 -0.49 113.70 125.40 2jqo s SER 15 Ca 0.39 0.19 0.02 0.00 0.70 0.00 0.00 55.95 57.24 2jqo s SER 15 Cb -0.13 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2jqo s SER 15 CO 0.14 0.29 -0.05 -0.22 1.20 0.00 0.00 173.24 174.60 2jqo s LEU 16 N -1.62 1.80 -0.22 3.45 1.98 0.16 -4.97 118.68 119.26 2jqo s LEU 16 Ca 0.22 -0.10 -0.07 0.00 -2.89 0.00 0.00 54.13 51.29 2jqo s LEU 16 Cb -0.12 -0.32 -0.03 0.00 0.66 0.00 0.00 46.19 46.38 2jqo s LEU 16 CO 0.12 0.03 0.05 -0.69 -1.89 0.00 0.00 176.35 173.97 2jqo s VAL 17 N 0.18 4.33 0.20 1.68 1.01 -1.26 -0.92 120.40 125.62 2jqo s VAL 17 Ca -0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 2jqo s VAL 17 Cb -0.06 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 2jqo s VAL 17 CO -0.00 0.40 0.34 -0.83 0.00 0.00 0.00 175.10 175.00 2jqo s GLY 18 N 1.10 0.63 -0.19 4.51 0.00 -1.06 -4.72 107.32 107.59 2jqo s GLY 18 Ca 0.04 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 2jqo s GLY 18 CO 0.03 -0.83 0.05 -0.19 0.00 0.00 0.00 173.10 172.16 2jqo s TYR 19 N -4.01 3.18 -0.71 1.90 2.02 -0.57 -2.07 117.35 117.08 2jqo s TYR 19 Ca 0.22 -0.07 -0.27 0.00 -0.37 0.00 0.00 57.07 56.59 2jqo s TYR 19 Cb 0.02 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 2jqo s TYR 19 CO 0.05 0.03 1.54 0.08 -1.57 0.00 0.00 175.55 175.68 2jqo s VAL 20 N 0.61 3.58 -0.23 0.71 1.01 0.18 -2.42 120.40 123.84 2jqo s VAL 20 Ca 0.02 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2jqo s VAL 20 Cb -0.13 -4.52 -0.19 0.00 0.00 0.00 0.00 36.38 31.54 2jqo s VAL 20 CO 0.02 -1.46 -0.09 1.33 0.00 0.00 0.00 175.10 174.90 2jqo n VAL 21 N 6.78 1.53 -4.40 2.92 0.24 -1.08 0.36 118.33 124.67 2jqo n VAL 21 Ca 0.12 -0.62 -0.22 0.00 -2.04 0.00 0.00 64.34 61.59 2jqo n VAL 21 Cb 0.50 -1.36 -0.16 0.00 -1.47 0.00 0.00 33.84 31.35 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 -6.48 1.58 -0.20 1.34 1.43 -1.09 -4.52 118.68 110.74 2jqo s LEU 22 Ca -0.30 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2jqo s LEU 22 Cb 0.08 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.68 2jqo s LEU 22 CO 0.66 0.02 -0.12 -0.75 0.23 0.00 0.00 176.35 176.38 2jqo s LYS 23 N 0.61 3.16 0.00 1.70 2.20 -1.26 -0.53 119.74 125.62 2jqo s LYS 23 Ca -0.11 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 2jqo s LYS 23 Cb -0.14 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2jqo s LYS 23 CO 0.02 -0.21 0.00 -3.47 -0.36 0.00 0.00 175.35 171.32 2jqo n ASP 24 N 4.70 0.00 0.00 1.43 2.03 -0.75 -5.02 116.55 118.94 2jqo n ASP 24 Ca -0.19 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2jqo n ASP 24 Cb 0.50 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.73 0.00 0.04 1.67 4.05 -1.26 -4.90 115.26 113.13 2jqo n ASN 25 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2jqo n ASN 25 Cb 0.00 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 40.93 2jqo n ASN 25 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2jqo h GLU 26 N 0.00 0.00 -6.64 1.20 5.08 -1.95 -3.45 114.58 108.83 2jqo h GLU 26 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 2jqo h GLU 26 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 2jqo h GLU 26 CO 0.00 0.30 -0.79 1.03 -1.00 0.00 0.00 179.01 178.55 2jqo s ARG 27 N -2.93 1.80 -0.07 2.33 0.52 -1.26 -0.00 118.95 119.33 2jqo s ARG 27 Ca -0.03 -1.27 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 2jqo s ARG 27 Cb 0.09 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.50 2jqo s ARG 27 CO 0.81 0.45 -0.11 0.00 0.02 0.00 0.00 175.30 176.47 2jqo s ALA 28 N -1.38 1.23 -0.49 2.13 0.00 -0.03 -1.82 121.76 121.40 2jqo s ALA 28 Ca 0.20 -0.41 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 2jqo s ALA 28 Cb -0.10 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.43 2jqo s ALA 28 CO 0.11 -0.01 0.77 0.42 0.00 0.00 0.00 175.76 177.05 2jqo s ILE 29 N 0.90 4.66 -0.08 0.00 1.01 0.31 -1.34 121.20 126.67 2jqo s ILE 29 Ca -0.10 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.69 2jqo s ILE 29 Cb -0.15 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 2jqo s ILE 29 CO 0.01 -0.82 -0.08 -0.76 0.00 0.00 0.00 174.94 173.28 2jqo s LEU 30 N 3.25 3.06 0.06 2.97 1.43 -0.41 -2.63 118.68 126.41 2jqo s LEU 30 Ca 0.26 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2jqo s LEU 30 Cb -0.14 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2jqo s LEU 30 CO 0.19 0.32 0.08 -0.63 0.23 0.00 0.00 176.35 176.53 2jqo s ILE 31 N -0.53 4.57 0.13 -0.59 1.01 -1.02 -0.79 121.20 123.98 2jqo s ILE 31 Ca 0.08 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.12 2jqo s ILE 31 Cb -0.12 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2jqo s ILE 31 CO 0.02 0.19 -0.14 0.42 0.00 0.00 0.00 174.94 175.42 2jqo s THR 32 N -1.33 1.41 -1.48 2.92 -4.23 0.25 -1.52 115.64 111.65 2jqo s THR 32 Ca 0.28 -1.78 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 2jqo s THR 32 Cb -0.12 -1.61 0.07 0.00 1.34 0.00 0.00 72.50 72.17 2jqo s THR 32 CO 0.20 -0.42 0.98 0.47 -0.54 0.00 0.00 174.62 175.31 2jqo n ASP 33 N 0.43 -4.61 -0.29 3.99 8.00 -1.26 -4.80 116.55 118.00 2jqo n ASP 33 Ca -0.15 -0.75 0.06 0.00 0.71 0.00 0.00 54.79 54.67 2jqo n ASP 33 Cb 0.57 -4.06 -0.00 0.00 -0.02 0.00 0.00 41.12 37.61 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 -4.68 0.00 -3.15 -3.53 -1.04 -1.26 -4.97 114.28 95.65 2jqo n THR 34 Ca -0.00 -0.37 -0.23 0.00 -2.04 0.00 0.00 64.05 61.41 2jqo n THR 34 Cb 0.55 1.15 0.04 0.00 -1.82 0.00 0.00 70.33 70.25 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 -0.18 -5.39 -2.15 -2.82 5.02 -1.26 -4.13 118.16 107.25 2jqo n LYS 35 Ca 0.05 0.88 -0.01 0.00 -2.02 0.00 0.00 58.31 57.21 2jqo n LYS 35 Cb 0.27 -5.77 -0.01 0.00 -0.02 0.00 0.00 35.03 29.49 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 -3.83 -2.57 -0.79 7.82 0.00 -1.26 -5.00 120.51 114.89 2jqo n ALA 36 Ca -0.09 0.80 -0.30 0.00 0.00 0.00 0.00 53.44 53.85 2jqo n ALA 36 Cb 0.61 -1.86 0.18 0.00 0.00 0.00 0.00 19.45 18.38 2jqo n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jqo s PRO 37 N -0.87 0.58 0.66 0.00 0.04 -1.26 -5.03 135.00 129.12 2jqo s PRO 37 Ca -0.06 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 2jqo s PRO 37 Cb 0.00 -1.70 0.07 0.00 0.04 0.00 0.00 34.50 32.91 2jqo s PRO 37 CO 0.16 -2.81 0.93 0.20 0.04 0.00 0.00 177.00 175.52 2jqo s GLY 38 N -2.82 1.77 0.52 0.56 0.00 -1.26 -4.90 107.32 101.18 2jqo s GLY 38 Ca 0.66 -1.29 0.26 0.00 0.00 0.00 0.00 44.72 44.35 2jqo s GLY 38 CO 0.60 -0.88 2.08 1.70 0.00 0.00 0.00 173.10 176.60 2jqo h LYS 39 N -0.37 0.00 0.00 2.90 3.64 -1.98 0.02 116.57 120.79 2jqo h LYS 39 Ca -0.42 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.79 2jqo h LYS 39 Cb 1.29 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 2jqo h LYS 39 CO 0.51 0.12 -0.84 0.93 -2.27 0.00 0.00 179.45 177.90 2jqo h GLU 40 N 0.00 0.00 -0.22 1.90 5.08 -1.98 -2.08 114.58 117.29 2jqo h GLU 40 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2jqo h GLU 40 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2jqo h GLU 40 CO 0.02 0.84 -0.44 -0.44 -1.00 0.00 0.00 179.01 177.98 2jqo h ASP 41 N 0.00 0.58 0.90 1.42 3.32 -1.40 -1.58 116.42 119.66 2jqo h ASP 41 Ca -0.01 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2jqo h ASP 41 Cb 1.49 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2jqo h ASP 41 CO 0.11 0.94 0.00 1.88 -1.72 0.00 0.00 179.24 180.45 2jqo h TYR 42 N 0.44 0.00 0.00 4.55 -1.99 -1.13 -2.67 116.97 116.17 2jqo h TYR 42 Ca 0.03 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.55 2jqo h TYR 42 Cb 0.95 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.65 2jqo h TYR 42 CO 0.04 0.00 -1.14 -0.97 -0.00 0.00 0.00 178.16 176.08 2jqo h ASN 43 N 0.00 0.00 -3.93 3.88 -1.24 -0.59 -3.46 115.58 110.25 2jqo h ASN 43 Ca 0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2jqo h ASN 43 Cb 0.45 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.57 2jqo h ASN 43 CO 0.00 0.89 0.57 -0.76 -1.29 0.00 0.00 177.43 176.85 2jqo s LEU 44 N -6.44 4.26 0.00 0.34 1.43 -0.79 -5.04 118.68 112.45 2jqo s LEU 44 Ca -0.00 2.54 -0.01 0.00 -1.03 0.00 0.00 54.13 55.63 2jqo s LEU 44 Cb 0.09 -3.89 0.06 0.00 0.03 0.00 0.00 46.19 42.49 2jqo s LEU 44 CO 0.81 -0.71 0.44 -1.20 0.23 0.00 0.00 176.35 175.92 2jqo n SER 45 N 0.27 0.53 0.07 2.29 7.64 -1.26 -4.76 113.62 118.40 2jqo n SER 45 Ca 0.03 -1.46 -0.13 0.00 1.01 0.00 0.00 58.87 58.32 2jqo n SER 45 Cb 0.44 -0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 2jqo n SER 45 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2jqo h GLU 46 N 0.00 -0.52 -0.48 1.43 4.81 -1.98 0.42 114.58 118.25 2jqo h GLU 46 Ca -0.14 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 2jqo h GLU 46 Cb 0.52 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2jqo h GLU 46 CO 0.15 -0.34 0.14 0.78 -0.73 0.00 0.00 179.01 179.01 2jqo h GLY 47 N -0.53 0.77 1.18 1.92 0.00 -1.98 0.30 103.07 104.72 2jqo h GLY 47 Ca 0.05 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 2jqo h GLY 47 CO -0.27 0.39 -0.27 1.46 0.00 0.00 0.00 176.54 177.84 2jqo h GLN 48 N 0.70 0.93 0.08 4.80 4.20 -1.75 -2.49 115.11 121.59 2jqo h GLN 48 Ca 0.16 -0.42 -0.26 0.00 0.06 0.00 0.00 58.65 58.19 2jqo h GLN 48 Cb 0.22 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.99 2jqo h GLN 48 CO -0.01 1.08 -1.13 -0.07 -0.67 0.00 0.00 178.83 178.03 2jqo h LEU 49 N 0.79 0.50 -0.75 1.46 3.38 -0.53 -2.84 115.31 117.32 2jqo h LEU 49 Ca 0.09 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2jqo h LEU 49 Cb 0.84 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2jqo h LEU 49 CO 0.07 1.33 0.48 -0.03 0.09 0.00 0.00 178.44 180.38 2jqo h MET 50 N 0.15 0.91 -0.15 1.13 4.05 -0.34 0.23 114.93 120.90 2jqo h MET 50 Ca -0.12 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 2jqo h MET 50 Cb 1.82 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 32.42 2jqo h MET 50 CO 0.19 0.60 0.00 0.09 0.23 0.00 0.00 176.91 178.02 2jqo n ASN 51 N -4.62 2.17 -0.13 1.39 3.02 -0.95 -2.79 115.26 113.36 2jqo n ASN 51 Ca 0.08 -1.76 -0.18 0.00 -0.03 0.00 0.00 54.58 52.70 2jqo n ASN 51 Cb 0.08 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.66 0.63 -2.71 3.52 4.81 -0.70 -4.60 118.16 119.78 2jqo n LYS 52 Ca 0.17 0.15 -0.28 0.00 -0.87 0.00 0.00 58.31 57.48 2jqo n LYS 52 Cb 0.43 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.96 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 -3.29 3.72 -0.27 5.64 3.72 0.73 -4.90 117.46 122.81 2jqo n PHE 53 Ca -0.45 -3.53 0.19 0.00 -0.05 0.00 0.00 57.45 53.61 2jqo n PHE 53 Cb 0.97 -0.37 0.48 0.00 -0.94 0.00 0.00 39.48 39.62 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 2.87 0.45 -0.00 -1.08 3.64 -1.72 0.11 116.57 120.83 2jqo h LYS 54 Ca 0.23 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2jqo h LYS 54 Cb 0.65 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2jqo h LYS 54 CO 0.87 0.30 -0.86 0.09 -2.27 0.00 0.00 179.45 177.58 2jqo n ASN 55 N -4.56 1.22 -0.31 4.20 3.02 -1.26 -4.40 115.26 113.17 2jqo n ASN 55 Ca 0.21 -1.11 0.04 0.00 -0.03 0.00 0.00 54.58 53.68 2jqo n ASN 55 Cb 0.70 0.88 0.04 0.00 -0.61 0.00 0.00 39.78 40.79 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jqo n ASN 56 N -1.14 1.80 -4.65 6.41 4.13 0.18 -4.95 115.26 117.04 2jqo n ASN 56 Ca 0.05 -1.44 -0.37 0.00 1.68 0.00 0.00 54.58 54.50 2jqo n ASN 56 Cb 0.36 -0.03 -0.09 0.00 -1.54 0.00 0.00 39.78 38.47 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2jqo s ILE 57 N -0.68 5.30 -0.11 2.41 2.07 -0.04 -0.58 121.20 129.57 2jqo s ILE 57 Ca 0.10 0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.68 2jqo s ILE 57 Cb 0.06 -3.57 0.01 0.00 0.13 0.00 0.00 42.46 39.10 2jqo s ILE 57 CO 0.09 0.29 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.57 2jqo s VAL 58 N 1.32 1.52 -0.49 4.00 1.01 0.03 -4.06 120.40 123.74 2jqo s VAL 58 Ca 0.10 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 2jqo s VAL 58 Cb -0.14 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.92 2jqo s VAL 58 CO 0.07 0.45 0.48 -0.63 0.00 0.00 0.00 175.10 175.47 2jqo s ILE 59 N 0.92 5.10 0.24 2.22 1.01 -0.19 -1.29 121.20 129.21 2jqo s ILE 59 Ca -0.08 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 2jqo s ILE 59 Cb -0.15 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 2jqo s ILE 59 CO -0.01 -0.67 0.56 0.68 0.00 0.00 0.00 174.94 175.50 2jqo s VAL 60 N 2.01 4.93 -0.28 2.92 -7.23 -0.45 -1.44 120.40 120.87 2jqo s VAL 60 Ca 0.08 0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 60.59 2jqo s VAL 60 Cb -0.22 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 2jqo s VAL 60 CO 0.08 -0.10 0.25 -0.83 -0.31 0.00 0.00 175.10 174.19 2jqo s GLY 61 N -2.43 1.92 0.00 2.32 0.00 0.11 -0.85 107.32 108.38 2jqo s GLY 61 Ca 0.47 -1.03 0.17 0.00 0.00 0.00 0.00 44.72 44.33 2jqo s GLY 61 CO 0.22 0.76 1.40 1.04 0.00 0.00 0.00 173.10 176.52 2jqo n LEU 62 N 5.15 2.34 0.27 0.66 4.77 1.00 -2.51 117.00 128.68 2jqo n LEU 62 Ca -0.12 -1.11 0.14 0.00 -0.03 0.00 0.00 56.01 54.89 2jqo n LEU 62 Cb 0.51 -0.25 0.75 0.00 -2.33 0.00 0.00 43.42 42.11 2jqo n LEU 62 CO 0.35 0.55 0.99 -1.28 -1.33 0.00 0.00 177.39 176.67 2jqo h SER 63 N 2.74 0.00 -0.38 -1.43 0.87 -1.87 -1.88 113.55 111.59 2jqo h SER 63 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jqo h SER 63 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2jqo h SER 63 CO 0.00 0.10 0.00 1.21 -0.53 0.00 0.00 176.83 177.61 2jqo n GLU 64 N -3.50 2.37 -3.61 2.24 2.13 -1.26 -4.93 120.64 114.08 2jqo n GLU 64 Ca -0.01 -2.08 -0.27 0.00 0.66 0.00 0.00 57.16 55.45 2jqo n GLU 64 Cb 0.24 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.43 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 -1.51 5.16 0.01 6.31 1.01 -0.71 -4.91 121.20 126.56 2jqo s ILE 65 Ca 0.38 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 2jqo s ILE 65 Cb 0.22 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 2jqo s ILE 65 CO 0.30 -0.23 1.06 0.44 0.00 0.00 0.00 174.94 176.52 2jqo h ASP 66 N 1.85 -0.17 -2.92 3.58 5.19 -1.92 -3.46 116.42 118.59 2jqo h ASP 66 Ca -0.48 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 55.99 2jqo h ASP 66 Cb 1.19 0.06 -0.23 0.00 0.18 0.00 0.00 39.33 40.53 2jqo h ASP 66 CO 0.67 -0.06 0.17 0.21 -3.12 0.00 0.00 179.24 177.10 2jqo s ASN 67 N -2.62 -0.77 -0.49 6.45 2.47 -1.26 -5.05 114.94 113.67 2jqo s ASN 67 Ca -0.02 1.25 0.01 0.00 0.42 0.00 0.00 52.86 54.52 2jqo s ASN 67 Cb 0.01 1.31 0.48 0.00 -1.45 0.00 0.00 41.25 41.60 2jqo s ASN 67 CO 0.07 -0.20 1.92 0.35 -3.72 0.00 0.00 177.10 175.52 2jqo n THR 68 N 3.93 3.18 0.26 -5.21 -2.24 -1.26 -4.51 114.28 108.43 2jqo n THR 68 Ca -0.19 -2.16 0.14 0.00 -2.27 0.00 0.00 64.05 59.57 2jqo n THR 68 Cb 0.58 -0.89 0.67 0.00 -2.10 0.00 0.00 70.33 68.59 2jqo n THR 68 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2jqo h ASP 69 N 1.39 0.00 -0.30 3.42 2.03 -2.00 -2.20 116.42 118.76 2jqo h ASP 69 Ca 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.84 2jqo h ASP 69 Cb 1.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.18 2jqo h ASP 69 CO 1.18 0.11 0.00 -0.90 -1.03 0.00 0.00 179.24 178.60 2jqo n ASP 70 N -3.33 2.33 -4.61 4.15 5.75 -1.26 -4.84 116.55 114.74 2jqo n ASP 70 Ca -0.01 -1.86 -0.38 0.00 -0.01 0.00 0.00 54.79 52.54 2jqo n ASP 70 Cb 0.31 -0.19 -0.10 0.00 -1.03 0.00 0.00 41.12 40.10 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 4.05 0.00 -2.12 2.96 -0.83 -5.08 118.68 116.25 2jqo s LEU 71 Ca 0.33 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 2jqo s LEU 71 Cb 0.18 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.70 2jqo s LEU 71 CO 0.26 -0.05 0.06 0.29 -1.32 0.00 0.00 176.35 175.59 2jqo n LYS 72 N 4.93 1.44 -3.10 1.98 4.01 -1.26 -5.07 118.16 121.09 2jqo n LYS 72 Ca -0.13 -0.95 -0.35 0.00 -0.51 0.00 0.00 58.31 56.37 2jqo n LYS 72 Cb 0.52 0.17 -0.06 0.00 -0.51 0.00 0.00 35.03 35.14 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 -2.55 4.19 -0.24 1.97 0.52 -1.26 -4.36 118.95 117.22 2jqo s ARG 73 Ca 0.05 0.83 -0.02 0.00 -0.52 0.00 0.00 55.73 56.07 2jqo s ARG 73 Cb -0.00 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.73 2jqo s ARG 73 CO 0.03 0.32 0.21 0.41 0.02 0.00 0.00 175.30 176.29 2jqo n GLY 74 N 0.40 0.69 3.32 -3.53 0.00 0.16 -5.02 105.19 101.21 2jqo n GLY 74 Ca -0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 -5.23 1.27 -0.14 1.61 2.02 -1.08 -4.95 118.70 112.21 2jqo s GLU 75 Ca 0.10 -1.51 -0.06 0.00 0.02 0.00 0.00 54.97 53.52 2jqo s GLU 75 Cb -0.05 -1.09 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 2jqo s GLU 75 CO 0.13 0.19 0.09 0.15 0.02 0.00 0.00 175.26 175.83 2jqo s LYS 76 N -3.41 3.54 -0.00 1.61 1.02 -1.26 0.49 119.74 121.74 2jqo s LYS 76 Ca 0.19 -0.26 0.03 0.00 0.02 0.00 0.00 55.97 55.95 2jqo s LYS 76 Cb -0.02 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2jqo s LYS 76 CO 0.06 0.59 -0.09 0.96 -0.92 0.00 0.00 175.35 175.94 2jqo s ILE 77 N -0.50 0.71 -0.45 2.17 -4.36 -0.88 -0.65 121.20 117.25 2jqo s ILE 77 Ca 0.11 -0.42 -0.15 0.00 -0.26 0.00 0.00 60.65 59.93 2jqo s ILE 77 Cb -0.12 -0.61 0.06 0.00 1.25 0.00 0.00 42.46 43.04 2jqo s ILE 77 CO 0.02 0.18 0.36 -0.75 0.24 0.00 0.00 174.94 174.99 2jqo s LYS 78 N -0.27 2.96 0.13 0.37 2.20 -0.08 -2.56 119.74 122.49 2jqo s LYS 78 Ca 0.03 -1.24 0.02 0.00 -0.36 0.00 0.00 55.97 54.42 2jqo s LYS 78 Cb -0.04 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 2jqo s LYS 78 CO -0.00 -0.93 0.27 0.14 -0.36 0.00 0.00 175.35 174.46 2jqo s VAL 79 N 1.65 5.31 -0.19 4.02 -7.23 -0.10 0.29 120.40 124.15 2jqo s VAL 79 Ca 0.04 -0.65 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 2jqo s VAL 79 Cb -0.22 -3.71 0.03 0.00 0.56 0.00 0.00 36.38 33.03 2jqo s VAL 79 CO 0.08 -0.05 -0.17 0.26 -0.31 0.00 0.00 175.10 174.90 2jqo s TRP 80 N -1.70 2.81 0.22 2.82 0.51 -0.28 -0.67 118.94 122.65 2jqo s TRP 80 Ca 0.34 -1.75 0.02 0.00 -2.12 0.00 0.00 56.10 52.59 2jqo s TRP 80 Cb -0.11 -1.88 -0.05 0.00 -0.81 0.00 0.00 33.47 30.62 2jqo s TRP 80 CO 0.28 -0.81 0.04 -0.59 -0.51 0.00 0.00 176.95 175.37 2jqo s PHE 81 N 1.27 1.43 0.00 -1.98 -0.71 0.36 -0.94 117.98 117.41 2jqo s PHE 81 Ca 0.02 -1.07 0.00 0.00 -1.04 0.00 0.00 56.93 54.84 2jqo s PHE 81 Cb -0.15 -0.83 0.00 0.00 -1.21 0.00 0.00 43.02 40.83 2jqo s PHE 81 CO -0.11 -0.23 0.00 1.58 -1.34 0.00 0.00 175.22 175.12 2jqo n HIS 82 N -0.38 0.00 -2.60 3.49 -0.00 -1.25 -3.51 115.22 110.98 2jqo n HIS 82 Ca -0.03 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.72 2jqo n HIS 82 Cb 0.65 0.00 -0.02 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 4.12 0.13 3.57 2.01 -1.26 -5.02 115.64 118.19 2jqo s THR 83 Ca 0.00 1.04 0.03 0.00 0.31 0.00 0.00 61.69 63.07 2jqo s THR 83 Cb 0.00 -4.66 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 2jqo s THR 83 CO 0.00 -1.18 0.20 -0.13 -0.69 0.00 0.00 174.62 172.82 2jqo s ARG 84 N 4.69 3.20 -0.15 4.92 0.52 -1.26 -1.27 118.95 129.59 2jqo s ARG 84 Ca 0.45 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 54.97 2jqo s ARG 84 Cb -0.07 -2.84 0.05 0.00 0.52 0.00 0.00 34.95 32.60 2jqo s ARG 84 CO 0.28 0.53 0.01 0.15 0.02 0.00 0.00 175.30 176.29 2jqo s LYS 85 N -2.97 0.82 -1.34 3.54 1.02 0.82 -4.98 119.74 116.65 2jqo s LYS 85 Ca 0.33 -0.29 -0.09 0.00 0.02 0.00 0.00 55.97 55.93 2jqo s LYS 85 Cb -0.11 -1.77 -0.10 0.00 -0.52 0.00 0.00 37.83 35.33 2jqo s LYS 85 CO 0.26 -0.50 3.03 -1.91 -0.92 0.00 0.00 175.35 175.31 2jqo n GLU 86 N 5.04 3.49 0.15 1.68 4.07 -1.26 -0.38 120.64 133.44 2jqo n GLU 86 Ca -0.09 -2.11 0.13 0.00 -0.06 0.00 0.00 57.16 55.03 2jqo n GLU 86 Cb 0.48 -2.65 0.41 0.00 -0.06 0.00 0.00 31.44 29.62 2jqo n GLU 86 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2jqo h SER 87 N 4.63 0.00 -5.97 4.31 0.87 -1.91 -3.48 113.55 111.99 2jqo h SER 87 Ca 0.75 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.31 2jqo h SER 87 Cb 0.48 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2jqo h SER 87 CO 1.51 0.00 -0.24 -0.46 -0.53 0.00 0.00 176.83 177.11 2jqo n ASN 88 N -2.52 -6.53 -4.75 6.23 0.23 -1.26 -4.84 115.26 101.81 2jqo n ASN 88 Ca 0.04 1.02 -0.36 0.00 -0.53 0.00 0.00 54.58 54.75 2jqo n ASN 88 Cb 0.39 -2.09 0.03 0.00 -2.08 0.00 0.00 39.78 36.03 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2jqo s PRO 89 N -0.10 2.96 0.31 -0.53 0.04 -1.26 -5.10 135.00 131.32 2jqo s PRO 89 Ca -0.04 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2jqo s PRO 89 Cb 0.00 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 2jqo s PRO 89 CO 0.12 -1.22 1.51 -0.35 0.04 0.00 0.00 177.00 177.10 2jqo n PRO 90 N -1.61 2.53 -4.36 0.56 -0.04 -1.26 -4.78 135.00 126.05 2jqo n PRO 90 Ca 0.14 0.90 -0.30 0.00 -0.04 0.00 0.00 63.50 64.20 2jqo n PRO 90 Cb 0.50 -2.63 -0.11 0.00 -0.04 0.00 0.00 33.50 31.21 2jqo n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2jqo s SER 91 N 0.25 3.95 -0.08 3.54 0.01 0.49 -1.02 113.70 120.85 2jqo s SER 91 Ca 0.62 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 57.34 2jqo s SER 91 Cb -0.52 -0.60 0.05 0.00 0.21 0.00 0.00 66.02 65.15 2jqo s SER 91 CO 0.53 0.19 0.16 0.00 0.41 0.00 0.00 173.24 174.54 2jqo s ALA 92 N -1.11 -0.19 -0.39 1.44 0.00 -0.52 -0.12 121.76 120.87 2jqo s ALA 92 Ca 0.18 0.59 -0.27 0.00 0.00 0.00 0.00 51.96 52.45 2jqo s ALA 92 Cb -0.11 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.27 2jqo s ALA 92 CO 0.10 -0.50 1.02 0.99 0.00 0.00 0.00 175.76 177.36 2jqo s THR 93 N 2.12 4.47 -0.00 0.00 2.01 -0.40 0.04 115.64 123.88 2jqo s THR 93 Ca 0.01 1.32 -0.09 0.00 0.31 0.00 0.00 61.69 63.24 2jqo s THR 93 Cb -0.12 -4.43 -0.05 0.00 0.01 0.00 0.00 72.50 67.91 2jqo s THR 93 CO -0.06 -0.65 0.31 0.27 -0.69 0.00 0.00 174.62 173.80 2jqo s ILE 94 N 3.77 5.23 -0.28 1.82 -4.36 -1.04 -3.83 121.20 122.50 2jqo s ILE 94 Ca 0.42 0.41 0.23 0.00 -0.26 0.00 0.00 60.65 61.45 2jqo s ILE 94 Cb -0.11 -3.59 -0.02 0.00 1.25 0.00 0.00 42.46 39.99 2jqo s ILE 94 CO 0.21 0.46 1.04 0.00 0.24 0.00 0.00 174.94 176.89 2jqo n GLN 95 N 1.43 0.56 -3.59 0.37 6.02 -0.12 -4.44 117.38 117.62 2jqo n GLN 95 Ca -0.13 0.10 -0.09 0.00 -0.01 0.00 0.00 57.00 56.87 2jqo n GLN 95 Cb 0.53 -1.79 -0.05 0.00 1.02 0.00 0.00 30.24 29.95 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 -3.35 0.48 0.22 -1.09 2.20 -1.24 -4.71 119.74 112.25 2jqo s LYS 96 Ca -0.00 0.11 0.10 0.00 -0.36 0.00 0.00 55.97 55.82 2jqo s LYS 96 Cb 0.10 0.23 -0.05 0.00 -1.51 0.00 0.00 37.83 36.60 2jqo s LYS 96 CO 0.79 -0.15 -0.19 1.52 -0.36 0.00 0.00 175.35 176.96 2jqo s TYR 97 N -1.13 2.04 -0.27 4.03 -0.85 -1.26 -1.12 117.35 118.78 2jqo s TYR 97 Ca 0.01 -0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 56.12 2jqo s TYR 97 Cb -0.01 -0.95 0.04 0.00 0.38 0.00 0.00 41.96 41.43 2jqo s TYR 97 CO -0.01 0.51 -0.04 -2.00 -1.52 0.00 0.00 175.55 172.49 2jqo s GLU 98 N -3.24 2.59 -0.45 -3.49 2.12 0.15 -4.93 118.70 111.45 2jqo s GLU 98 Ca 0.23 -1.15 -0.28 0.00 0.36 0.00 0.00 54.97 54.14 2jqo s GLU 98 Cb -0.05 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2jqo s GLU 98 CO 0.10 -0.51 1.64 -1.17 -0.54 0.00 0.00 175.26 174.78 2jqo s LEU 99 N 1.27 3.47 -0.98 2.70 2.96 -1.26 -0.91 118.68 125.93 2jqo s LEU 99 Ca -0.03 0.82 -0.22 0.00 -0.22 0.00 0.00 54.13 54.47 2jqo s LEU 99 Cb -0.18 -3.25 0.06 0.00 0.50 0.00 0.00 46.19 43.32 2jqo s LEU 99 CO -0.03 -1.77 1.37 -0.76 -1.32 0.00 0.00 176.35 173.85 2jqo s LEU 100 N 6.79 3.77 0.40 -0.68 1.43 0.18 -4.98 118.68 125.59 2jqo s LEU 100 Ca 0.68 -1.49 -0.27 0.00 -1.03 0.00 0.00 54.13 52.02 2jqo s LEU 100 Cb -0.16 -2.54 -0.10 0.00 0.03 0.00 0.00 46.19 43.42 2jqo s LEU 100 CO 0.29 -1.45 1.45 -0.76 0.23 0.00 0.00 176.35 176.12 2jqo s LEU 101 N 4.60 4.26 0.00 1.79 1.43 -1.26 -4.01 118.68 125.49 2jqo s LEU 101 Ca 0.43 2.98 -0.13 0.00 -1.03 0.00 0.00 54.13 56.38 2jqo s LEU 101 Cb -0.02 -3.75 0.19 0.00 0.03 0.00 0.00 46.19 42.64 2jqo s LEU 101 CO -0.08 -0.94 0.61 -0.62 0.23 0.00 0.00 176.35 175.55 2jqo n GLU 102 N 0.28 -2.64 0.00 1.70 -0.58 -1.26 -4.95 120.64 113.18 2jqo n GLU 102 Ca 0.02 -0.99 0.12 0.00 -0.42 0.00 0.00 57.16 55.89 2jqo n GLU 102 Cb 0.40 -1.01 0.09 0.00 -0.57 0.00 0.00 31.44 30.36 2jqo n GLU 102 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jqo n HIS 103 N -4.10 0.00 -4.05 -0.32 8.25 0.54 -4.88 115.22 110.66 2jqo n HIS 103 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 2jqo n HIS 103 Cb 0.35 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.35 2jqo n HIS 103 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jqo s HIS 104 N -2.09 0.55 0.01 4.41 3.76 0.66 -4.97 115.29 117.61 2jqo s HIS 104 Ca 0.26 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.54 2jqo s HIS 104 Cb 0.20 -0.34 -0.27 0.00 1.11 0.00 0.00 32.58 33.27 2jqo s HIS 104 CO 0.35 -0.16 0.89 0.45 -0.85 0.00 0.00 174.74 175.43 2jqo h HIS 105 N 4.23 0.39 -0.73 1.40 3.86 -1.89 -3.39 115.15 119.01 2jqo h HIS 105 Ca -0.34 -0.29 -0.41 0.00 -1.16 0.00 0.00 60.37 58.17 2jqo h HIS 105 Cb 1.19 -0.02 -0.41 0.00 1.06 0.00 0.00 27.41 29.23 2jqo h HIS 105 CO 0.63 1.32 -0.97 0.72 0.86 0.00 0.00 177.93 180.49 2jqo n HIS 106 N -3.42 2.04 0.00 2.45 8.25 -1.26 -4.94 115.22 118.34 2jqo n HIS 106 Ca -0.15 -2.34 0.00 0.00 -0.26 0.00 0.00 57.72 54.97 2jqo n HIS 106 Cb 1.03 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.87 2jqo n HIS 106 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jqo n HIS 107 N -0.57 0.00 -0.33 4.41 -0.00 -1.26 -5.26 115.22 112.20 2jqo n HIS 107 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 2jqo n HIS 107 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.84 2jqo n HIS 107 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92