#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 6.80 0.13 7.83 0.01 -1.26 -4.97 114.94 123.49 2jqo s ASN 2 Ca 0.00 0.99 -0.24 0.00 -0.71 0.00 0.00 52.86 52.90 2jqo s ASN 2 Cb 0.00 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.23 2jqo s ASN 2 CO 0.00 -0.40 1.64 0.50 -1.51 0.00 0.00 177.10 177.32 2jqo h LYS 3 N 7.55 -0.31 -5.80 -0.60 3.64 -2.03 -3.38 116.57 115.65 2jqo h LYS 3 Ca -0.27 0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 58.53 2jqo h LYS 3 Cb 1.12 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.91 2jqo h LYS 3 CO 0.83 -0.20 0.44 1.21 -2.27 0.00 0.00 179.45 179.45 2jqo s ASN 4 N -4.96 6.73 0.50 4.20 2.47 -1.26 -4.92 114.94 117.69 2jqo s ASN 4 Ca -0.15 0.81 0.19 0.00 0.42 0.00 0.00 52.86 54.13 2jqo s ASN 4 Cb 0.10 -2.42 1.24 0.00 -1.45 0.00 0.00 41.25 38.72 2jqo s ASN 4 CO 0.67 -0.59 2.04 -0.33 -3.72 0.00 0.00 177.10 175.17 2jqo h GLU 5 N 7.97 0.13 0.00 0.43 5.08 -1.95 0.11 114.58 126.34 2jqo h GLU 5 Ca -0.24 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2jqo h GLU 5 Cb 1.09 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jqo h GLU 5 CO 0.88 0.08 -0.12 1.96 -1.00 0.00 0.00 179.01 180.82 2jqo h GLN 6 N 0.13 0.00 -0.02 2.33 4.20 -1.93 -0.27 115.11 119.55 2jqo h GLN 6 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2jqo h GLN 6 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2jqo h GLN 6 CO -0.02 0.12 -0.36 -1.71 -0.67 0.00 0.00 178.83 176.18 2jqo n ASN 7 N -4.09 1.98 -3.85 1.46 4.05 0.20 -4.99 115.26 110.01 2jqo n ASN 7 Ca -0.02 -1.49 -0.30 0.00 0.45 0.00 0.00 54.58 53.22 2jqo n ASN 7 Cb 0.20 0.41 0.22 0.00 1.23 0.00 0.00 39.78 41.85 2jqo n ASN 7 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2jqo s GLY 8 N -2.17 1.69 0.01 8.20 0.00 -0.11 -4.95 107.32 109.98 2jqo s GLY 8 Ca 0.17 -1.14 -0.15 0.00 0.00 0.00 0.00 44.72 43.60 2jqo s GLY 8 CO 0.47 -0.27 0.43 0.51 0.00 0.00 0.00 173.10 174.24 2jqo s ASP 9 N -4.40 6.84 0.00 1.64 -4.77 -1.26 -5.00 116.67 109.72 2jqo s ASP 9 Ca 0.73 1.00 0.00 0.00 -3.30 0.00 0.00 52.55 50.99 2jqo s ASP 9 Cb -0.06 -2.27 0.00 0.00 -1.09 0.00 0.00 42.92 39.51 2jqo s ASP 9 CO 0.55 0.32 0.00 1.21 0.70 0.00 0.00 175.17 177.94 2jqo n GLU 10 N 1.82 0.00 -2.76 2.11 2.13 -1.26 -4.89 120.64 117.79 2jqo n GLU 10 Ca -0.13 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.26 2jqo n GLU 10 Cb 0.52 -0.27 -0.04 0.00 0.27 0.00 0.00 31.44 31.92 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 -0.85 4.23 -0.15 6.31 2.01 -1.26 -4.99 115.64 120.93 2jqo s THR 11 Ca 0.00 0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 2jqo s THR 11 Cb 0.00 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 2jqo s THR 11 CO 0.00 -1.32 1.69 -0.54 -0.69 0.00 0.00 174.62 173.76 2jqo s LYS 12 N 4.37 3.90 -0.20 4.92 1.02 -1.26 -4.98 119.74 127.51 2jqo s LYS 12 Ca 0.31 1.92 -0.18 0.00 0.02 0.00 0.00 55.97 58.04 2jqo s LYS 12 Cb -0.12 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.11 2jqo s LYS 12 CO 0.18 -1.18 0.50 -1.64 -0.92 0.00 0.00 175.35 172.28 2jqo s MET 13 N 4.56 4.18 -0.13 1.68 -1.94 -1.26 -5.04 119.30 121.35 2jqo s MET 13 Ca 0.75 0.37 -0.26 0.00 -1.71 0.00 0.00 55.69 54.84 2jqo s MET 13 Cb -0.29 -3.56 -0.02 0.00 2.01 0.00 0.00 34.83 32.97 2jqo s MET 13 CO 0.30 -0.14 0.85 -0.65 -0.01 0.00 0.00 175.02 175.37 2jqo s GLN 14 N 1.62 4.36 -0.16 2.03 -0.21 -1.26 -4.98 119.66 121.05 2jqo s GLN 14 Ca 0.23 1.09 -0.08 0.00 0.02 0.00 0.00 55.36 56.62 2jqo s GLN 14 Cb -0.15 -3.54 -0.04 0.00 1.00 0.00 0.00 33.01 30.27 2jqo s GLN 14 CO 0.09 -0.25 0.12 -1.12 -2.12 0.00 0.00 175.29 172.01 2jqo s SER 15 N 1.09 6.16 -0.16 5.90 0.01 -1.26 -1.99 113.70 123.45 2jqo s SER 15 Ca 0.41 0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.98 2jqo s SER 15 Cb -0.17 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2jqo s SER 15 CO 0.15 0.28 -0.17 -0.22 0.41 0.00 0.00 173.24 173.69 2jqo s LEU 16 N -0.25 2.34 -0.30 2.44 0.20 0.13 -4.95 118.68 118.28 2jqo s LEU 16 Ca 0.10 -0.53 -0.17 0.00 0.69 0.00 0.00 54.13 54.23 2jqo s LEU 16 Cb -0.12 -1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 44.10 2jqo s LEU 16 CO 0.01 0.07 0.45 -0.69 -0.29 0.00 0.00 176.35 175.89 2jqo s VAL 17 N 0.91 5.10 0.20 1.68 1.01 -1.26 -1.06 120.40 126.97 2jqo s VAL 17 Ca -0.04 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 2jqo s VAL 17 Cb -0.15 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2jqo s VAL 17 CO -0.02 -0.00 0.35 -0.83 0.00 0.00 0.00 175.10 174.59 2jqo s GLY 18 N 1.67 0.58 0.00 4.51 0.00 -0.90 -4.28 107.32 108.90 2jqo s GLY 18 Ca 0.17 -0.94 -0.03 0.00 0.00 0.00 0.00 44.72 43.92 2jqo s GLY 18 CO 0.11 -0.80 0.20 -0.19 0.00 0.00 0.00 173.10 172.43 2jqo s TYR 19 N -4.00 3.55 -0.42 1.90 1.51 -0.07 -1.72 117.35 118.10 2jqo s TYR 19 Ca 0.21 0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 56.53 2jqo s TYR 19 Cb 0.02 -1.86 0.04 0.00 -0.11 0.00 0.00 41.96 40.05 2jqo s TYR 19 CO 0.04 0.63 0.31 0.08 -1.11 0.00 0.00 175.55 175.50 2jqo s VAL 20 N -1.34 5.06 -0.17 0.71 1.01 0.14 -0.50 120.40 125.32 2jqo s VAL 20 Ca 0.28 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 2jqo s VAL 20 Cb -0.13 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2jqo s VAL 20 CO 0.19 -0.38 -0.33 0.52 0.00 0.00 0.00 175.10 175.10 2jqo n VAL 21 N 5.13 1.48 -4.38 2.92 0.31 -0.97 -0.30 118.33 122.51 2jqo n VAL 21 Ca -0.11 0.14 -0.24 0.00 -0.01 0.00 0.00 64.34 64.12 2jqo n VAL 21 Cb 0.46 -2.29 -0.09 0.00 -0.91 0.00 0.00 33.84 31.01 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2jqo s LEU 22 N -7.84 2.87 -0.08 7.52 1.43 -1.04 -3.57 118.68 117.97 2jqo s LEU 22 Ca -0.28 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 51.96 2jqo s LEU 22 Cb 0.04 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.91 2jqo s LEU 22 CO 0.41 0.03 0.17 -0.75 0.23 0.00 0.00 176.35 176.44 2jqo s LYS 23 N -3.52 0.07 -0.03 1.70 2.20 -1.26 -0.88 119.74 118.02 2jqo s LYS 23 Ca 0.30 0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 56.41 2jqo s LYS 23 Cb -0.06 -0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.04 2jqo s LYS 23 CO 0.17 -0.25 0.13 0.22 -0.36 0.00 0.00 175.35 175.26 2jqo h ASP 24 N 7.88 -0.04 0.00 1.43 3.58 -1.63 -3.49 116.42 124.15 2jqo h ASP 24 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2jqo h ASP 24 Cb 1.13 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2jqo h ASP 24 CO 0.26 0.13 0.00 -3.20 -2.88 0.00 0.00 179.24 173.55 2jqo n ASN 25 N -3.03 0.00 0.07 2.28 5.15 -1.26 -4.88 115.26 113.58 2jqo n ASN 25 Ca -0.01 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.09 2jqo n ASN 25 Cb 0.02 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.33 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 0.00 0.43 -4.30 1.20 1.02 -1.26 -4.86 120.64 112.87 2jqo n GLU 26 Ca 0.00 0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 56.98 2jqo n GLU 26 Cb 0.00 -1.72 -0.12 0.00 -0.02 0.00 0.00 31.44 29.58 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 -3.27 1.17 -0.03 3.49 3.00 -1.26 -0.19 118.95 121.87 2jqo s ARG 27 Ca 0.02 -1.22 0.06 0.00 0.00 0.00 0.00 55.73 54.60 2jqo s ARG 27 Cb 0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 34.95 33.65 2jqo s ARG 27 CO 0.77 0.32 -0.22 0.00 0.00 0.00 0.00 175.30 176.17 2jqo s ALA 28 N -1.34 1.87 -0.49 2.13 0.00 -0.34 -1.46 121.76 122.12 2jqo s ALA 28 Ca 0.09 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 2jqo s ALA 28 Cb -0.09 -0.51 0.08 0.00 0.00 0.00 0.00 23.12 22.60 2jqo s ALA 28 CO 0.05 0.43 0.46 0.42 0.00 0.00 0.00 175.76 177.11 2jqo s ILE 29 N -0.39 5.17 0.21 0.00 1.01 -0.06 -0.91 121.20 126.22 2jqo s ILE 29 Ca 0.05 -1.07 0.09 0.00 0.00 0.00 0.00 60.65 59.72 2jqo s ILE 29 Cb -0.10 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2jqo s ILE 29 CO 0.00 -0.68 -0.03 -0.76 0.00 0.00 0.00 174.94 173.47 2jqo s LEU 30 N 1.80 3.17 -0.37 2.97 1.43 0.27 -2.30 118.68 125.66 2jqo s LEU 30 Ca 0.06 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 2jqo s LEU 30 Cb -0.25 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.23 2jqo s LEU 30 CO 0.07 0.06 0.19 -0.63 0.23 0.00 0.00 176.35 176.27 2jqo s ILE 31 N -1.93 4.27 -1.36 -0.59 1.01 0.34 -0.38 121.20 122.57 2jqo s ILE 31 Ca 0.28 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 2jqo s ILE 31 Cb -0.08 -3.44 0.10 0.00 0.01 0.00 0.00 42.46 39.04 2jqo s ILE 31 CO 0.18 -0.28 1.97 0.35 0.00 0.00 0.00 174.94 177.16 2jqo n THR 32 N 4.93 3.88 -2.87 2.92 -2.24 -0.80 -0.89 114.28 119.21 2jqo n THR 32 Ca -0.12 -3.77 0.00 0.00 -2.27 0.00 0.00 64.05 57.89 2jqo n THR 32 Cb 0.45 -2.48 0.00 0.00 -2.10 0.00 0.00 70.33 66.20 2jqo n THR 32 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jqo n ASP 33 N 5.72 0.00 -0.00 3.42 2.03 -1.26 -4.92 116.55 121.54 2jqo n ASP 33 Ca 0.46 -0.74 0.05 0.00 0.52 0.00 0.00 54.79 55.08 2jqo n ASP 33 Cb 0.40 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.73 2jqo n ASP 33 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2jqo n THR 34 N 0.00 0.00 -2.21 5.18 5.66 -1.26 -4.66 114.28 116.99 2jqo n THR 34 Ca 0.00 -0.26 -0.42 0.00 -3.05 0.00 0.00 64.05 60.32 2jqo n THR 34 Cb 0.00 0.85 -0.03 0.00 -1.55 0.00 0.00 70.33 69.60 2jqo n THR 34 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2jqo s LYS 35 N -2.09 4.36 -0.33 1.09 1.02 -1.26 -5.00 119.74 117.53 2jqo s LYS 35 Ca 0.02 2.04 -0.13 0.00 0.02 0.00 0.00 55.97 57.93 2jqo s LYS 35 Cb 0.07 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 2jqo s LYS 35 CO 0.41 -0.32 0.26 0.00 -0.92 0.00 0.00 175.35 174.78 2jqo s ALA 36 N 0.55 3.51 0.48 5.17 0.00 -1.26 -4.92 121.76 125.29 2jqo s ALA 36 Ca 0.60 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 2jqo s ALA 36 Cb -0.36 -2.68 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 2jqo s ALA 36 CO 0.35 -0.95 1.23 -2.14 0.00 0.00 0.00 175.76 174.25 2jqo s PRO 37 N 1.79 3.57 0.58 0.00 0.02 -1.26 -5.05 135.00 134.66 2jqo s PRO 37 Ca 0.07 1.94 0.08 0.00 0.02 0.00 0.00 61.00 63.11 2jqo s PRO 37 Cb -0.17 -2.38 0.10 0.00 0.02 0.00 0.00 34.50 32.07 2jqo s PRO 37 CO 0.11 -0.75 0.81 0.41 -0.33 0.00 0.00 177.00 177.24 2jqo n GLY 38 N 0.55 1.75 0.37 0.52 0.00 -1.26 -4.93 105.19 102.18 2jqo n GLY 38 Ca 0.08 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 1.22 -0.12 1.61 3.64 -1.99 -0.27 116.57 120.67 2jqo h LYS 39 Ca -0.27 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 2jqo h LYS 39 Cb 1.20 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 2jqo h LYS 39 CO 0.37 0.81 -0.15 1.49 -2.27 0.00 0.00 179.45 179.70 2jqo h GLU 40 N 1.26 0.18 -0.12 1.90 4.81 -1.98 -0.09 114.58 120.54 2jqo h GLU 40 Ca 0.40 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.43 2jqo h GLU 40 Cb 0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2jqo h GLU 40 CO -0.13 0.34 -0.62 -0.44 -0.73 0.00 0.00 179.01 177.43 2jqo h ASP 41 N 0.17 0.49 0.88 1.04 3.32 -1.45 -0.68 116.42 120.19 2jqo h ASP 41 Ca 0.03 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 2jqo h ASP 41 Cb 0.37 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2jqo h ASP 41 CO 0.02 0.99 -0.30 1.88 -1.72 0.00 0.00 179.24 180.11 2jqo h TYR 42 N 0.32 0.00 0.00 4.55 0.05 -0.70 -2.60 116.97 118.59 2jqo h TYR 42 Ca -0.01 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 2jqo h TYR 42 Cb 1.16 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 2jqo h TYR 42 CO 0.04 0.30 -0.61 -0.97 -1.05 0.00 0.00 178.16 175.87 2jqo h ASN 43 N 0.00 0.00 -4.21 3.88 -1.24 -0.44 -3.45 115.58 110.12 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 0.82 0.00 0.14 0.00 0.73 0.00 0.00 38.32 40.00 2jqo h ASN 43 CO 0.04 0.61 0.36 -0.76 -1.29 0.00 0.00 177.43 176.38 2jqo s LEU 44 N -7.03 3.26 0.68 0.34 1.43 -0.32 -5.04 118.68 111.99 2jqo s LEU 44 Ca 0.01 2.13 -0.02 0.00 -1.03 0.00 0.00 54.13 55.22 2jqo s LEU 44 Cb 0.11 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.85 2jqo s LEU 44 CO 0.75 -2.08 0.95 -0.94 0.23 0.00 0.00 176.35 175.25 2jqo s SER 45 N -2.48 4.64 0.17 2.29 1.04 -1.26 -4.82 113.70 113.27 2jqo s SER 45 Ca 0.69 -0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.86 2jqo s SER 45 Cb -0.24 -0.48 0.10 0.00 0.10 0.00 0.00 66.02 65.51 2jqo s SER 45 CO 0.46 -1.65 1.65 -0.08 0.98 0.00 0.00 173.24 174.60 2jqo h GLU 46 N -0.42 -0.07 -0.63 4.02 4.81 -1.96 0.17 114.58 120.50 2jqo h GLU 46 Ca -0.40 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 2jqo h GLU 46 Cb 1.28 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 2jqo h GLU 46 CO 0.47 -0.05 0.29 0.78 -0.73 0.00 0.00 179.01 179.78 2jqo h GLY 47 N -0.07 0.99 1.16 1.92 0.00 -1.97 0.14 103.07 105.23 2jqo h GLY 47 Ca 0.20 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 2jqo h GLY 47 CO -0.46 0.48 0.02 1.46 0.00 0.00 0.00 176.54 178.04 2jqo h GLN 48 N 0.87 1.01 -0.43 4.80 4.20 -1.75 -1.03 115.11 122.79 2jqo h GLN 48 Ca 0.22 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2jqo h GLN 48 Cb 0.14 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2jqo h GLN 48 CO -0.02 0.97 0.17 1.25 -0.67 0.00 0.00 178.83 180.53 2jqo h LEU 49 N 0.93 0.59 -1.52 1.46 5.85 -0.28 -2.30 115.31 120.03 2jqo h LEU 49 Ca 0.17 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jqo h LEU 49 Cb 0.51 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2jqo h LEU 49 CO 0.02 0.60 0.00 0.24 -0.34 0.00 0.00 178.44 178.97 2jqo h MET 50 N 0.54 0.00 0.00 1.25 2.86 -0.32 -0.54 114.93 118.72 2jqo h MET 50 Ca 0.14 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2jqo h MET 50 Cb 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2jqo h MET 50 CO -0.01 0.00 -1.24 0.09 1.06 0.00 0.00 176.91 176.80 2jqo n ASN 51 N -2.83 0.73 -0.09 1.22 3.02 -0.43 -2.69 115.26 114.20 2jqo n ASN 51 Ca 0.00 0.29 -0.17 0.00 -0.03 0.00 0.00 54.58 54.67 2jqo n ASN 51 Cb 0.23 0.60 -0.11 0.00 -0.61 0.00 0.00 39.78 39.90 2jqo n ASN 51 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2jqo h LYS 52 N 0.00 0.00 -1.97 3.52 3.64 -0.93 -3.36 116.57 117.48 2jqo h LYS 52 Ca -0.04 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.68 2jqo h LYS 52 Cb 1.14 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.73 2jqo h LYS 52 CO 0.01 0.87 0.79 1.19 -2.27 0.00 0.00 179.45 180.04 2jqo n PHE 53 N -4.52 2.43 -1.65 1.91 3.72 -0.26 -4.99 117.46 114.09 2jqo n PHE 53 Ca -0.21 -2.18 -0.50 0.00 -0.05 0.00 0.00 57.45 54.51 2jqo n PHE 53 Cb 0.55 -1.27 -0.05 0.00 -0.94 0.00 0.00 39.48 37.77 2jqo n PHE 53 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2jqo n LYS 54 N 0.02 1.86 -1.02 -1.08 4.81 -1.09 -1.24 118.16 120.41 2jqo n LYS 54 Ca 0.52 0.66 -0.01 0.00 -0.87 0.00 0.00 58.31 58.61 2jqo n LYS 54 Cb 0.37 -2.57 -0.00 0.00 0.02 0.00 0.00 35.03 32.85 2jqo n LYS 54 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jqo n ASN 55 N 7.15 -5.26 -1.15 3.14 4.13 -1.25 -4.76 115.26 117.26 2jqo n ASN 55 Ca 0.26 0.01 0.08 0.00 1.68 0.00 0.00 54.58 56.61 2jqo n ASN 55 Cb 0.27 -2.80 0.28 0.00 -1.54 0.00 0.00 39.78 35.98 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 -0.75 4.07 -4.60 6.41 3.02 -0.38 -4.94 115.26 118.10 2jqo n ASN 56 Ca -0.01 -2.52 -0.34 0.00 -0.03 0.00 0.00 54.58 51.68 2jqo n ASN 56 Cb 0.38 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.95 4.11 -0.06 2.41 2.07 -1.23 -1.90 121.20 124.64 2jqo s ILE 57 Ca 0.41 -0.31 0.03 0.00 -1.41 0.00 0.00 60.65 59.38 2jqo s ILE 57 Cb 0.28 -2.76 0.01 0.00 0.13 0.00 0.00 42.46 40.12 2jqo s ILE 57 CO 0.17 0.55 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.91 2jqo s VAL 58 N -0.32 1.35 -0.43 4.00 1.01 0.48 -3.87 120.40 122.62 2jqo s VAL 58 Ca 0.06 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 2jqo s VAL 58 Cb -0.12 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.09 2jqo s VAL 58 CO 0.02 0.40 0.43 -0.63 0.00 0.00 0.00 175.10 175.32 2jqo s ILE 59 N 0.42 5.10 0.02 2.22 1.01 0.20 -0.56 121.20 129.62 2jqo s ILE 59 Ca -0.12 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 2jqo s ILE 59 Cb -0.15 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 2jqo s ILE 59 CO 0.04 -0.46 0.42 0.68 0.00 0.00 0.00 174.94 175.62 2jqo s VAL 60 N 2.07 5.02 -0.28 2.92 -7.23 -0.09 -2.17 120.40 120.64 2jqo s VAL 60 Ca 0.11 0.80 -0.21 0.00 -1.81 0.00 0.00 61.98 60.87 2jqo s VAL 60 Cb -0.18 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 2jqo s VAL 60 CO 0.12 0.52 0.65 -0.83 -0.31 0.00 0.00 175.10 175.25 2jqo s GLY 61 N -1.21 1.79 -0.18 2.32 0.00 0.16 -1.20 107.32 108.99 2jqo s GLY 61 Ca 0.26 -0.52 0.15 0.00 0.00 0.00 0.00 44.72 44.62 2jqo s GLY 61 CO 0.15 1.48 1.67 1.04 0.00 0.00 0.00 173.10 177.44 2jqo n LEU 62 N 5.83 5.22 0.13 0.66 4.77 0.74 -2.64 117.00 131.70 2jqo n LEU 62 Ca -0.00 -2.64 0.11 0.00 -0.03 0.00 0.00 56.01 53.44 2jqo n LEU 62 Cb 0.49 -0.64 0.49 0.00 -2.33 0.00 0.00 43.42 41.43 2jqo n LEU 62 CO 0.45 0.69 0.82 -1.54 -1.33 0.00 0.00 177.39 176.48 2jqo n SER 63 N 0.83 0.56 0.04 -1.43 3.41 -1.23 -0.33 113.62 115.46 2jqo n SER 63 Ca 0.26 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.68 2jqo n SER 63 Cb 1.05 -0.79 0.30 0.00 -0.26 0.00 0.00 64.21 64.51 2jqo n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jqo n GLU 64 N -2.17 0.14 -3.99 4.33 -0.58 -1.26 -4.68 120.64 112.43 2jqo n GLU 64 Ca 0.01 0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.47 2jqo n GLU 64 Cb 0.14 -1.61 -0.14 0.00 -0.57 0.00 0.00 31.44 29.26 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 -3.08 2.54 -1.05 -3.67 -1.09 0.55 -4.96 121.20 110.45 2jqo s ILE 65 Ca 0.10 -1.61 0.10 0.00 -2.23 0.00 0.00 60.65 57.01 2jqo s ILE 65 Cb 0.16 -2.52 0.46 0.00 -1.58 0.00 0.00 42.46 38.97 2jqo s ILE 65 CO 0.67 -0.13 1.28 -0.67 -1.23 0.00 0.00 174.94 174.86 2jqo n ASP 66 N 4.50 3.36 -1.44 3.58 2.03 -1.26 -3.90 116.55 123.41 2jqo n ASP 66 Ca -0.12 -2.37 0.03 0.00 0.52 0.00 0.00 54.79 52.85 2jqo n ASP 66 Cb 0.42 -0.50 0.07 0.00 -0.72 0.00 0.00 41.12 40.39 2jqo n ASP 66 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2jqo n ASN 67 N 0.53 1.40 -1.99 1.67 3.02 -1.26 -4.93 115.26 113.70 2jqo n ASN 67 Ca 0.16 -2.55 -0.15 0.00 -0.03 0.00 0.00 54.58 52.01 2jqo n ASN 67 Cb 0.67 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 2jqo n ASN 67 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jqo n THR 68 N -0.06 2.80 0.09 3.41 -1.04 -1.25 -4.15 114.28 114.08 2jqo n THR 68 Ca 0.11 -1.75 0.05 0.00 -2.04 0.00 0.00 64.05 60.42 2jqo n THR 68 Cb 0.99 -1.54 -0.02 0.00 -1.82 0.00 0.00 70.33 67.94 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 2.02 0.00 -0.08 8.00 3.32 -1.94 -3.31 116.42 124.42 2jqo h ASP 69 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2jqo h ASP 69 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2jqo h ASP 69 CO 0.56 0.35 0.00 -0.90 -1.72 0.00 0.00 179.24 177.53 2jqo n ASP 70 N -2.90 0.64 -4.55 6.45 5.75 -1.26 -4.61 116.55 116.07 2jqo n ASP 70 Ca -0.04 -1.64 -0.40 0.00 -0.01 0.00 0.00 54.79 52.70 2jqo n ASP 70 Cb 0.71 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 40.66 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 -1.44 4.40 0.00 -2.12 0.20 -1.25 -5.08 118.68 113.40 2jqo s LEU 71 Ca 0.25 -0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.88 2jqo s LEU 71 Cb 0.12 -2.31 0.02 0.00 -0.43 0.00 0.00 46.19 43.59 2jqo s LEU 71 CO 0.19 -0.30 0.19 0.29 -0.29 0.00 0.00 176.35 176.43 2jqo n LYS 72 N 5.33 0.91 -3.71 1.98 5.02 -1.26 -5.09 118.16 121.34 2jqo n LYS 72 Ca -0.10 -0.76 -0.37 0.00 -2.02 0.00 0.00 58.31 55.07 2jqo n LYS 72 Cb 0.50 -0.06 -0.06 0.00 -0.02 0.00 0.00 35.03 35.39 2jqo n LYS 72 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jqo s ARG 73 N -2.64 3.65 0.00 1.97 0.52 -1.26 -4.52 118.95 116.67 2jqo s ARG 73 Ca 0.15 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 2jqo s ARG 73 Cb -0.01 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.30 2jqo s ARG 73 CO 0.09 0.70 0.00 0.41 0.02 0.00 0.00 175.30 176.53 2jqo n GLY 74 N 1.63 0.69 0.00 -3.53 0.00 0.58 -5.00 105.19 99.57 2jqo n GLY 74 Ca -0.15 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.93 2.35 -3.93 1.61 1.02 -0.66 -4.94 120.64 115.16 2jqo n GLU 75 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2jqo n GLU 75 Cb 0.41 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.68 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 -1.38 0.19 0.09 3.49 2.20 -1.24 0.25 119.74 123.34 2jqo s LYS 76 Ca 0.00 0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 2jqo s LYS 76 Cb 0.00 -0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 2jqo s LYS 76 CO 0.00 -0.06 -0.07 0.96 -0.36 0.00 0.00 175.35 175.82 2jqo s ILE 77 N 0.53 0.69 -0.31 5.43 -4.36 -0.70 -0.26 121.20 122.22 2jqo s ILE 77 Ca -0.05 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 2jqo s ILE 77 Cb -0.08 -1.51 0.07 0.00 1.25 0.00 0.00 42.46 42.19 2jqo s ILE 77 CO -0.01 -0.79 -0.01 -0.75 0.24 0.00 0.00 174.94 173.62 2jqo s LYS 78 N -3.46 2.11 0.03 0.37 2.20 0.11 -2.12 119.74 118.98 2jqo s LYS 78 Ca 0.08 -1.49 -0.01 0.00 -0.36 0.00 0.00 55.97 54.20 2jqo s LYS 78 Cb 0.03 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 2jqo s LYS 78 CO -0.04 -0.72 0.18 0.14 -0.36 0.00 0.00 175.35 174.56 2jqo s VAL 79 N 1.11 5.31 -0.42 4.02 -7.23 -0.22 0.18 120.40 123.14 2jqo s VAL 79 Ca -0.02 -0.32 -0.10 0.00 -1.81 0.00 0.00 61.98 59.73 2jqo s VAL 79 Cb -0.20 -3.53 0.08 0.00 0.56 0.00 0.00 36.38 33.28 2jqo s VAL 79 CO -0.04 0.23 0.27 0.26 -0.31 0.00 0.00 175.10 175.50 2jqo s TRP 80 N -1.41 3.33 0.24 2.82 0.51 0.43 0.19 118.94 125.05 2jqo s TRP 80 Ca 0.31 -1.48 0.07 0.00 -2.12 0.00 0.00 56.10 52.87 2jqo s TRP 80 Cb -0.13 -2.97 -0.04 0.00 -0.81 0.00 0.00 33.47 29.53 2jqo s TRP 80 CO 0.23 -0.84 0.15 -0.59 -0.51 0.00 0.00 176.95 175.38 2jqo s PHE 81 N 1.44 3.04 -0.08 -1.98 -0.71 -0.84 -1.50 117.98 117.34 2jqo s PHE 81 Ca 0.03 -0.12 0.06 0.00 -1.04 0.00 0.00 56.93 55.87 2jqo s PHE 81 Cb -0.23 -1.38 -0.09 0.00 -1.21 0.00 0.00 43.02 40.11 2jqo s PHE 81 CO 0.02 0.54 0.02 1.58 -1.34 0.00 0.00 175.22 176.04 2jqo n HIS 82 N -0.97 0.00 -4.06 3.49 -0.00 -0.89 -4.23 115.22 108.55 2jqo n HIS 82 Ca -0.08 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.90 2jqo n HIS 82 Cb 0.57 -0.38 -0.17 0.00 -0.12 0.00 0.00 29.99 29.90 2jqo n HIS 82 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2jqo s THR 83 N -2.19 0.51 -0.15 3.57 2.01 -1.25 -5.04 115.64 113.10 2jqo s THR 83 Ca -0.05 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.90 2jqo s THR 83 Cb 0.02 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.98 2jqo s THR 83 CO 0.31 0.23 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.67 2jqo s ARG 84 N 1.18 3.05 -0.14 4.92 3.52 -1.26 -0.76 118.95 129.46 2jqo s ARG 84 Ca -0.07 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2jqo s ARG 84 Cb -0.14 -2.51 0.02 0.00 -1.56 0.00 0.00 34.95 30.76 2jqo s ARG 84 CO -0.01 -0.07 -0.14 0.21 -0.81 0.00 0.00 175.30 174.48 2jqo s LYS 85 N 0.96 2.21 -1.17 5.12 2.20 0.12 -5.00 119.74 124.18 2jqo s LYS 85 Ca -0.03 -0.53 -0.19 0.00 -0.36 0.00 0.00 55.97 54.86 2jqo s LYS 85 Cb -0.15 -2.02 0.09 0.00 -1.51 0.00 0.00 37.83 34.25 2jqo s LYS 85 CO -0.05 -0.21 1.55 -1.21 -0.36 0.00 0.00 175.35 175.07 2jqo s GLU 86 N 1.41 3.87 0.13 4.03 8.01 -1.26 0.26 118.70 135.15 2jqo s GLU 86 Ca 0.03 -1.86 0.26 0.00 0.01 0.00 0.00 54.97 53.40 2jqo s GLU 86 Cb -0.13 -5.34 0.65 0.00 -4.31 0.00 0.00 34.13 25.00 2jqo s GLU 86 CO -0.09 -2.10 1.58 0.43 0.01 0.00 0.00 175.26 175.09 2jqo n SER 87 N 7.82 0.64 -2.73 -0.19 7.64 -1.26 -4.88 113.62 120.66 2jqo n SER 87 Ca 0.40 0.31 -0.01 0.00 1.01 0.00 0.00 58.87 60.58 2jqo n SER 87 Cb 0.47 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 2jqo n SER 87 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jqo n ASN 88 N -2.04 -6.01 -4.77 6.43 5.15 -1.26 -4.81 115.26 107.95 2jqo n ASN 88 Ca 0.05 1.34 -0.39 0.00 -0.60 0.00 0.00 54.58 54.98 2jqo n ASN 88 Cb 0.41 -5.00 -0.01 0.00 -0.53 0.00 0.00 39.78 34.65 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2jqo s PRO 89 N -1.32 3.96 0.44 1.20 0.02 -1.26 -5.11 135.00 132.93 2jqo s PRO 89 Ca -0.07 1.99 -0.25 0.00 0.02 0.00 0.00 61.00 62.68 2jqo s PRO 89 Cb 0.00 -2.68 -0.09 0.00 0.02 0.00 0.00 34.50 31.75 2jqo s PRO 89 CO 0.72 -0.44 1.35 -2.30 -0.33 0.00 0.00 177.00 176.00 2jqo n PRO 90 N 0.03 2.08 -4.39 5.54 -0.02 -1.25 -4.77 135.00 132.22 2jqo n PRO 90 Ca 0.04 0.74 -0.23 0.00 -2.02 0.00 0.00 63.50 62.03 2jqo n PRO 90 Cb 0.45 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 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 -0.51 3.06 -0.09 2.55 0.01 0.14 -0.63 113.70 118.24 2jqo s SER 91 Ca 0.61 -0.92 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 2jqo s SER 91 Cb -0.48 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 65.57 2jqo s SER 91 CO 0.58 0.00 0.24 0.00 0.41 0.00 0.00 173.24 174.47 2jqo s ALA 92 N -2.17 -0.57 -0.35 1.44 0.00 -0.92 0.13 121.76 119.31 2jqo s ALA 92 Ca 0.21 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 2jqo s ALA 92 Cb -0.05 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 2jqo s ALA 92 CO 0.09 -0.14 0.48 0.99 0.00 0.00 0.00 175.76 177.19 2jqo s THR 93 N 0.54 5.04 -0.06 0.00 2.01 0.07 0.36 115.64 123.59 2jqo s THR 93 Ca -0.03 0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 2jqo s THR 93 Cb -0.05 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2jqo s THR 93 CO -0.03 -0.21 0.07 0.27 -0.69 0.00 0.00 174.62 174.03 2jqo s ILE 94 N 2.32 4.79 -0.80 1.82 -5.25 -1.08 -2.09 121.20 120.90 2jqo s ILE 94 Ca 0.17 -0.18 0.16 0.00 -0.99 0.00 0.00 60.65 59.80 2jqo s ILE 94 Cb -0.16 -3.10 -0.16 0.00 2.95 0.00 0.00 42.46 42.00 2jqo s ILE 94 CO 0.13 0.52 0.68 0.00 -1.79 0.00 0.00 174.94 174.48 2jqo n GLN 95 N 1.74 1.81 -3.61 0.37 6.02 -0.56 -4.37 117.38 118.78 2jqo n GLN 95 Ca -0.17 -0.07 -0.07 0.00 -0.01 0.00 0.00 57.00 56.68 2jqo n GLN 95 Cb 0.54 -1.24 -0.05 0.00 1.02 0.00 0.00 30.24 30.50 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 -2.43 0.39 0.03 -1.09 2.20 -1.22 -4.86 119.74 112.76 2jqo s LYS 96 Ca 0.07 0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.87 2jqo s LYS 96 Cb 0.12 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 2jqo s LYS 96 CO 0.62 -0.11 -0.09 1.52 -0.36 0.00 0.00 175.35 176.94 2jqo s TYR 97 N -0.78 0.81 -0.15 4.03 1.13 -1.26 -0.43 117.35 120.70 2jqo s TYR 97 Ca 0.03 -0.37 0.00 0.00 -1.41 0.00 0.00 57.07 55.32 2jqo s TYR 97 Cb -0.02 -0.48 -0.00 0.00 -1.10 0.00 0.00 41.96 40.36 2jqo s TYR 97 CO -0.04 -0.03 -0.15 -2.00 -2.51 0.00 0.00 175.55 170.82 2jqo s GLU 98 N -1.15 3.23 0.18 -3.49 2.12 0.13 -4.98 118.70 114.73 2jqo s GLU 98 Ca -0.04 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.25 2jqo s GLU 98 Cb -0.08 -2.60 -0.08 0.00 0.26 0.00 0.00 34.13 31.63 2jqo s GLU 98 CO 0.01 0.06 1.08 -1.17 -0.54 0.00 0.00 175.26 174.70 2jqo s LEU 99 N 0.71 4.50 -0.36 2.70 2.96 -1.26 0.04 118.68 127.97 2jqo s LEU 99 Ca -0.07 2.07 -0.03 0.00 -0.22 0.00 0.00 54.13 55.87 2jqo s LEU 99 Cb -0.16 -3.60 0.07 0.00 0.50 0.00 0.00 46.19 43.00 2jqo s LEU 99 CO 0.01 -0.20 0.11 -0.76 -1.32 0.00 0.00 176.35 174.20 2jqo s LEU 100 N -0.39 4.59 0.52 -0.68 1.43 0.64 -4.86 118.68 119.93 2jqo s LEU 100 Ca 0.49 -1.57 0.16 0.00 -1.03 0.00 0.00 54.13 52.18 2jqo s LEU 100 Cb -0.29 -1.80 1.25 0.00 0.03 0.00 0.00 46.19 45.38 2jqo s LEU 100 CO 0.35 -0.40 2.15 -0.07 0.23 0.00 0.00 176.35 178.60 2jqo h LEU 101 N 8.08 0.02 0.00 1.79 3.38 -1.96 -3.30 115.31 123.32 2jqo h LEU 101 Ca -0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2jqo h LEU 101 Cb 1.06 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2jqo h LEU 101 CO 0.62 0.01 0.00 1.21 0.09 0.00 0.00 178.44 180.38 2jqo n GLU 102 N -4.54 0.00 -3.56 1.13 2.13 -1.26 -4.90 120.64 109.64 2jqo n GLU 102 Ca -0.03 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.74 2jqo n GLU 102 Cb 0.09 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.78 2jqo n GLU 102 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2jqo s HIS 103 N -0.13 -0.21 -0.48 4.31 -3.43 -1.26 -4.81 115.29 109.27 2jqo s HIS 103 Ca 0.00 0.12 -0.02 0.00 -0.80 0.00 0.00 55.06 54.36 2jqo s HIS 103 Cb 0.00 0.53 0.13 0.00 -1.43 0.00 0.00 32.58 31.81 2jqo s HIS 103 CO 0.00 -0.36 0.27 -1.01 -2.00 0.00 0.00 174.74 171.64 2jqo s HIS 104 N -2.73 3.51 -0.26 0.38 3.76 -1.26 -5.07 115.29 113.63 2jqo s HIS 104 Ca 0.08 -2.64 -0.19 0.00 -0.15 0.00 0.00 55.06 52.17 2jqo s HIS 104 Cb -0.01 -3.16 -0.02 0.00 1.11 0.00 0.00 32.58 30.50 2jqo s HIS 104 CO -0.06 -0.91 0.55 -1.58 -0.85 0.00 0.00 174.74 171.89 2jqo s HIS 105 N 0.60 3.28 0.25 1.40 5.04 -1.26 -5.06 115.29 119.53 2jqo s HIS 105 Ca 0.12 0.70 0.07 0.00 -1.54 0.00 0.00 55.06 54.41 2jqo s HIS 105 Cb -0.22 -2.75 -0.04 0.00 0.04 0.00 0.00 32.58 29.61 2jqo s HIS 105 CO -0.04 -0.29 0.19 -1.01 -2.34 0.00 0.00 174.74 171.25 2jqo s HIS 106 N 2.34 3.09 0.56 3.88 3.76 -1.26 -5.14 115.29 122.51 2jqo s HIS 106 Ca 0.23 -0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 2jqo s HIS 106 Cb -0.16 -1.40 0.04 0.00 1.11 0.00 0.00 32.58 32.18 2jqo s HIS 106 CO 0.09 0.52 0.33 -1.01 -0.85 0.00 0.00 174.74 173.83 2jqo s HIS 107 N -2.15 1.53 0.00 1.40 3.76 -1.26 -5.35 115.29 113.23 2jqo s HIS 107 Ca 0.33 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2jqo s HIS 107 Cb -0.08 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.79 2jqo s HIS 107 CO 0.25 -0.40 0.10 0.72 -0.85 0.00 0.00 174.74 174.56