#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqo n ASN 2 N 0.00 1.78 -0.50 7.83 4.13 -1.26 -3.34 115.26 123.90 2jqo n ASN 2 Ca 0.00 -1.63 0.12 0.00 1.68 0.00 0.00 54.58 54.75 2jqo n ASN 2 Cb 0.00 -0.04 0.14 0.00 -1.54 0.00 0.00 39.78 38.34 2jqo n ASN 2 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2jqo n LYS 3 N 0.39 1.32 0.11 3.52 5.02 -1.26 -4.35 118.16 122.90 2jqo n LYS 3 Ca 0.18 -1.01 -0.12 0.00 -2.02 0.00 0.00 58.31 55.34 2jqo n LYS 3 Cb 0.38 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 2jqo n LYS 3 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2jqo h ASN 4 N 2.46 -0.28 -3.57 4.39 4.21 -2.07 -3.42 115.58 117.29 2jqo h ASN 4 Ca 0.00 -0.25 -0.66 0.00 1.21 0.00 0.00 56.30 56.61 2jqo h ASN 4 Cb 0.71 0.07 -0.25 0.00 -1.12 0.00 0.00 38.32 37.74 2jqo h ASN 4 CO 0.00 0.18 -0.65 -0.70 -1.29 0.00 0.00 177.43 174.97 2jqo s GLU 5 N -3.92 3.47 -0.68 0.81 2.12 -1.26 -5.04 118.70 114.19 2jqo s GLU 5 Ca -0.13 -0.59 -0.27 0.00 0.36 0.00 0.00 54.97 54.34 2jqo s GLU 5 Cb 0.01 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.16 2jqo s GLU 5 CO 0.48 -0.24 1.47 -0.65 -0.54 0.00 0.00 175.26 175.78 2jqo s GLN 6 N 1.56 3.03 0.05 4.30 -0.21 -1.26 -4.96 119.66 122.17 2jqo s GLN 6 Ca 0.05 0.08 -0.31 0.00 0.02 0.00 0.00 55.36 55.21 2jqo s GLN 6 Cb -0.15 -4.24 -0.07 0.00 1.00 0.00 0.00 33.01 29.55 2jqo s GLN 6 CO 0.02 -2.31 1.49 1.21 -2.12 0.00 0.00 175.29 173.58 2jqo s ASN 7 N 5.13 6.75 0.00 5.90 2.47 -1.26 -4.97 114.94 128.96 2jqo s ASN 7 Ca 0.46 2.30 0.00 0.00 0.42 0.00 0.00 52.86 56.04 2jqo s ASN 7 Cb -0.10 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 2jqo s ASN 7 CO 0.18 -0.77 0.00 0.61 -3.72 0.00 0.00 177.10 173.40 2jqo n GLY 8 N 3.74 4.05 3.64 1.21 0.00 -1.26 -5.10 105.19 111.46 2jqo n GLY 8 Ca 0.14 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 2jqo n GLY 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jqo s ASP 9 N 0.11 6.60 0.07 1.61 1.01 -1.26 -4.92 116.67 119.88 2jqo s ASP 9 Ca 0.00 1.78 -0.27 0.00 0.71 0.00 0.00 52.55 54.77 2jqo s ASP 9 Cb 0.00 -2.53 -0.13 0.00 1.01 0.00 0.00 42.92 41.27 2jqo s ASP 9 CO 0.00 -1.05 1.43 -0.08 0.21 0.00 0.00 175.17 175.68 2jqo h GLU 10 N 9.78 -0.68 -6.54 8.23 4.57 -2.01 -3.37 114.58 124.55 2jqo h GLU 10 Ca -0.33 0.05 -0.55 0.00 -1.18 0.00 0.00 59.36 57.34 2jqo h GLU 10 Cb 1.15 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.82 2jqo h GLU 10 CO 0.98 -0.45 1.01 0.99 -1.18 0.00 0.00 179.01 180.36 2jqo s THR 11 N -5.17 3.97 -0.29 0.32 2.01 -1.26 -4.97 115.64 110.24 2jqo s THR 11 Ca -0.13 0.86 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 2jqo s THR 11 Cb 0.04 -4.66 -0.01 0.00 0.01 0.00 0.00 72.50 67.87 2jqo s THR 11 CO 0.47 -1.30 1.51 -0.54 -0.69 0.00 0.00 174.62 174.07 2jqo s LYS 12 N 5.07 3.74 0.57 4.92 1.02 -1.26 -4.99 119.74 128.81 2jqo s LYS 12 Ca 0.45 1.39 -0.05 0.00 0.02 0.00 0.00 55.97 57.78 2jqo s LYS 12 Cb -0.08 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 2jqo s LYS 12 CO 0.25 -1.36 0.88 -1.64 -0.92 0.00 0.00 175.35 172.56 2jqo s MET 13 N 4.70 2.98 -0.10 1.68 -1.94 -1.26 -5.04 119.30 120.32 2jqo s MET 13 Ca 0.66 -0.02 -0.27 0.00 -1.71 0.00 0.00 55.69 54.36 2jqo s MET 13 Cb -0.20 -2.30 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 2jqo s MET 13 CO 0.29 -0.63 0.86 -0.65 -0.01 0.00 0.00 175.02 174.88 2jqo s GLN 14 N -4.94 4.41 -0.08 2.03 -0.21 -1.19 -4.88 119.66 114.79 2jqo s GLN 14 Ca 0.53 1.14 -0.18 0.00 0.02 0.00 0.00 55.36 56.87 2jqo s GLN 14 Cb -0.10 -3.51 -0.05 0.00 1.00 0.00 0.00 33.01 30.35 2jqo s GLN 14 CO 0.45 -0.17 0.48 -1.12 -2.12 0.00 0.00 175.29 172.81 2jqo s SER 15 N 1.03 6.74 -0.03 5.90 0.01 -1.26 -2.23 113.70 123.87 2jqo s SER 15 Ca 0.43 0.88 0.01 0.00 1.31 0.00 0.00 55.95 58.58 2jqo s SER 15 Cb -0.18 -2.29 0.03 0.00 0.21 0.00 0.00 66.02 63.78 2jqo s SER 15 CO 0.18 0.06 -0.01 -0.22 0.41 0.00 0.00 173.24 173.66 2jqo s LEU 16 N 0.27 1.23 -0.22 2.44 1.98 0.06 -4.95 118.68 119.49 2jqo s LEU 16 Ca 0.26 -0.04 -0.11 0.00 -2.89 0.00 0.00 54.13 51.35 2jqo s LEU 16 Cb -0.16 -0.25 -0.05 0.00 0.66 0.00 0.00 46.19 46.39 2jqo s LEU 16 CO 0.12 -0.09 0.18 -0.69 -1.89 0.00 0.00 176.35 173.99 2jqo s VAL 17 N 0.95 5.35 0.22 1.68 1.01 -1.26 -0.14 120.40 128.21 2jqo s VAL 17 Ca -0.10 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 2jqo s VAL 17 Cb -0.13 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2jqo s VAL 17 CO -0.01 0.36 0.37 -0.83 0.00 0.00 0.00 175.10 174.99 2jqo s GLY 18 N 0.87 0.71 -0.14 4.51 0.00 -0.35 -4.76 107.32 108.17 2jqo s GLY 18 Ca 0.09 -1.04 -0.06 0.00 0.00 0.00 0.00 44.72 43.71 2jqo s GLY 18 CO 0.03 -0.82 0.07 -0.19 0.00 0.00 0.00 173.10 172.20 2jqo s TYR 19 N -4.04 3.34 -0.78 1.90 1.51 -0.87 -1.15 117.35 117.26 2jqo s TYR 19 Ca 0.25 0.25 -0.22 0.00 -1.01 0.00 0.00 57.07 56.34 2jqo s TYR 19 Cb 0.02 -1.97 0.08 0.00 -0.11 0.00 0.00 41.96 39.98 2jqo s TYR 19 CO 0.08 0.42 1.09 0.08 -1.11 0.00 0.00 175.55 176.11 2jqo s VAL 20 N -0.37 4.33 -0.22 0.71 1.01 0.13 -1.83 120.40 124.15 2jqo s VAL 20 Ca 0.09 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 2jqo s VAL 20 Cb -0.12 -4.78 -0.11 0.00 0.00 0.00 0.00 36.38 31.37 2jqo s VAL 20 CO 0.02 -1.57 -0.19 0.52 0.00 0.00 0.00 175.10 173.88 2jqo n VAL 21 N 5.96 1.51 -5.02 2.92 0.31 -1.22 -0.34 118.33 122.45 2jqo n VAL 21 Ca 0.08 -0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 63.98 2jqo n VAL 21 Cb 0.47 -2.08 -0.15 0.00 -0.91 0.00 0.00 33.84 31.17 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 -7.78 2.46 -0.07 7.52 1.43 -1.03 -4.43 118.68 116.78 2jqo s LEU 22 Ca -0.31 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 2jqo s LEU 22 Cb 0.09 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.83 2jqo s LEU 22 CO 0.47 0.27 -0.15 -0.75 0.23 0.00 0.00 176.35 176.42 2jqo s LYS 23 N -0.29 1.98 0.51 1.70 2.20 -1.26 -0.16 119.74 124.41 2jqo s LYS 23 Ca 0.01 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.18 2jqo s LYS 23 Cb -0.13 -1.59 0.03 0.00 -1.51 0.00 0.00 37.83 34.64 2jqo s LYS 23 CO 0.03 0.07 0.52 0.34 -0.36 0.00 0.00 175.35 175.94 2jqo s ASP 24 N 0.58 4.96 0.17 1.43 2.15 0.79 -4.97 116.67 121.78 2jqo s ASP 24 Ca -0.15 -0.93 -0.00 0.00 0.43 0.00 0.00 52.55 51.90 2jqo s ASP 24 Cb -0.16 0.03 0.03 0.00 -0.30 0.00 0.00 42.92 42.52 2jqo s ASP 24 CO 0.05 -1.02 1.41 -1.13 -0.17 0.00 0.00 175.17 174.30 2jqo h ASN 25 N 0.65 0.41 -0.00 -0.34 -0.73 -2.01 -3.34 115.58 110.22 2jqo h ASN 25 Ca -0.36 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 57.52 2jqo h ASN 25 Cb 1.29 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.75 2jqo h ASN 25 CO 0.51 1.05 -0.00 -0.62 -0.37 0.00 0.00 177.43 178.00 2jqo n GLU 26 N -3.77 -0.63 -4.07 6.67 1.02 -1.26 -5.00 120.64 113.60 2jqo n GLU 26 Ca -0.04 -0.54 -0.10 0.00 -0.02 0.00 0.00 57.16 56.46 2jqo n GLU 26 Cb 0.75 -1.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.08 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 -0.11 1.02 -0.04 3.49 0.52 -1.25 -0.60 118.95 121.98 2jqo s ARG 27 Ca 0.01 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 53.88 2jqo s ARG 27 Cb 0.01 0.30 0.03 0.00 0.52 0.00 0.00 34.95 35.81 2jqo s ARG 27 CO 0.01 -0.33 0.04 0.00 0.02 0.00 0.00 175.30 175.04 2jqo s ALA 28 N -4.01 0.31 -0.65 2.13 0.00 0.02 -0.15 121.76 119.41 2jqo s ALA 28 Ca 0.21 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.10 2jqo s ALA 28 Cb 0.06 -0.57 0.09 0.00 0.00 0.00 0.00 23.12 22.70 2jqo s ALA 28 CO 0.01 -0.39 0.87 0.42 0.00 0.00 0.00 175.76 176.67 2jqo s ILE 29 N 1.87 4.55 -0.08 0.00 1.01 0.77 -0.11 121.20 129.21 2jqo s ILE 29 Ca 0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 2jqo s ILE 29 Cb -0.12 -4.61 -0.03 0.00 0.01 0.00 0.00 42.46 37.70 2jqo s ILE 29 CO -0.03 -1.33 -0.04 -0.76 0.00 0.00 0.00 174.94 172.78 2jqo s LEU 30 N 3.41 3.34 -0.37 2.97 1.43 0.32 -2.48 118.68 127.30 2jqo s LEU 30 Ca 0.18 0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 2jqo s LEU 30 Cb -0.19 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.29 2jqo s LEU 30 CO 0.07 0.35 0.77 -0.63 0.23 0.00 0.00 176.35 177.15 2jqo s ILE 31 N -0.73 4.74 -0.65 -0.59 1.01 -0.76 0.13 121.20 124.34 2jqo s ILE 31 Ca 0.11 0.84 0.25 0.00 0.00 0.00 0.00 60.65 61.86 2jqo s ILE 31 Cb -0.11 -4.21 0.30 0.00 0.01 0.00 0.00 42.46 38.45 2jqo s ILE 31 CO 0.02 -0.44 1.73 0.71 0.00 0.00 0.00 174.94 176.96 2jqo h THR 32 N 5.76 0.00 -3.04 2.92 1.35 -1.70 -2.32 112.91 115.87 2jqo h THR 32 Ca -0.25 -0.62 -0.57 0.00 -0.55 0.00 0.00 66.41 64.42 2jqo h THR 32 Cb 1.09 1.62 -0.05 0.00 -1.73 0.00 0.00 68.15 69.08 2jqo h THR 32 CO 0.91 0.00 0.85 -0.62 -0.25 0.00 0.00 175.52 176.41 2jqo s ASP 33 N -4.98 7.01 -1.45 5.36 2.15 -1.08 -4.85 116.67 118.82 2jqo s ASP 33 Ca 0.10 1.45 -0.14 0.00 0.43 0.00 0.00 52.55 54.39 2jqo s ASP 33 Cb 0.10 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.23 2jqo s ASP 33 CO 0.62 -0.74 2.22 0.35 -0.17 0.00 0.00 175.17 177.44 2jqo n THR 34 N 5.44 3.52 -3.94 1.71 -2.24 -1.26 -4.81 114.28 112.70 2jqo n THR 34 Ca 0.13 -3.09 -0.27 0.00 -2.27 0.00 0.00 64.05 58.55 2jqo n THR 34 Cb 0.46 -2.59 -0.17 0.00 -2.10 0.00 0.00 70.33 65.92 2jqo n THR 34 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jqo s LYS 35 N 3.01 1.61 -0.21 -0.78 1.02 -1.26 -5.10 119.74 118.03 2jqo s LYS 35 Ca 0.47 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.88 2jqo s LYS 35 Cb 0.14 -1.64 -0.03 0.00 -0.52 0.00 0.00 37.83 35.78 2jqo s LYS 35 CO -0.08 -0.26 1.76 0.00 -0.92 0.00 0.00 175.35 175.85 2jqo s ALA 36 N 1.65 3.18 0.69 5.17 0.00 -1.26 -4.97 121.76 126.22 2jqo s ALA 36 Ca 0.04 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 2jqo s ALA 36 Cb -0.13 -3.90 0.01 0.00 0.00 0.00 0.00 23.12 19.10 2jqo s ALA 36 CO -0.08 -2.12 1.09 -2.14 0.00 0.00 0.00 175.76 172.51 2jqo s PRO 37 N 5.01 2.72 0.53 0.00 0.02 -1.26 -5.07 135.00 136.96 2jqo s PRO 37 Ca 0.78 1.25 0.05 0.00 0.02 0.00 0.00 61.00 63.11 2jqo s PRO 37 Cb -0.28 -1.95 0.10 0.00 0.02 0.00 0.00 34.50 32.39 2jqo s PRO 37 CO 0.32 -1.29 0.73 0.41 -0.33 0.00 0.00 177.00 176.84 2jqo n GLY 38 N -0.94 1.48 0.36 0.52 0.00 -1.26 -4.88 105.19 100.47 2jqo n GLY 38 Ca 0.09 -2.14 0.03 0.00 0.00 0.00 0.00 46.02 44.00 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 1.03 -0.91 1.61 3.64 -1.98 0.02 116.57 119.99 2jqo h LYS 39 Ca -0.24 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 2jqo h LYS 39 Cb 1.03 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 2jqo h LYS 39 CO 0.31 0.68 0.54 0.93 -2.27 0.00 0.00 179.45 179.65 2jqo h GLU 40 N 1.06 1.24 -0.09 1.90 3.07 -1.98 -0.37 114.58 119.41 2jqo h GLU 40 Ca 0.36 -0.11 -0.17 0.00 -0.50 0.00 0.00 59.36 58.93 2jqo h GLU 40 Cb 0.09 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 2jqo h GLU 40 CO -0.12 0.87 -0.68 -0.44 -1.40 0.00 0.00 179.01 177.24 2jqo h ASP 41 N 1.25 0.46 1.28 1.42 3.32 -1.46 -1.65 116.42 121.05 2jqo h ASP 41 Ca 0.33 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2jqo h ASP 41 Cb -0.05 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 2jqo h ASP 41 CO -0.06 1.01 -0.01 1.88 -1.72 0.00 0.00 179.24 180.34 2jqo h TYR 42 N 0.28 0.00 0.00 4.55 0.05 -0.76 -2.70 116.97 118.38 2jqo h TYR 42 Ca -0.02 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.62 2jqo h TYR 42 Cb 1.24 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.96 2jqo h TYR 42 CO 0.04 0.01 -0.78 -0.97 -1.05 0.00 0.00 178.16 175.40 2jqo h ASN 43 N 0.00 0.00 -4.02 3.88 -1.24 -0.51 -3.46 115.58 110.23 2jqo h ASN 43 Ca -0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 2jqo h ASN 43 Cb 0.65 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.82 2jqo h ASN 43 CO 0.00 0.61 0.62 -0.76 -1.29 0.00 0.00 177.43 176.62 2jqo s LEU 44 N -6.37 3.96 0.00 0.34 1.43 -0.67 -5.02 118.68 112.35 2jqo s LEU 44 Ca 0.02 2.75 -0.06 0.00 -1.03 0.00 0.00 54.13 55.81 2jqo s LEU 44 Cb 0.08 -4.15 0.17 0.00 0.03 0.00 0.00 46.19 42.32 2jqo s LEU 44 CO 0.77 -1.35 1.12 -1.20 0.23 0.00 0.00 176.35 175.92 2jqo n SER 45 N -0.67 0.95 0.22 2.29 7.64 -1.26 -4.81 113.62 117.98 2jqo n SER 45 Ca 0.08 -1.93 -0.15 0.00 1.01 0.00 0.00 58.87 57.88 2jqo n SER 45 Cb 0.44 -0.78 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 2jqo n SER 45 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2jqo h GLU 46 N 0.00 -0.80 -0.42 1.43 3.07 -1.99 -0.12 114.58 115.76 2jqo h GLU 46 Ca -0.37 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2jqo h GLU 46 Cb 1.22 0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 29.29 2jqo h GLU 46 CO 0.34 -0.53 0.26 0.78 -1.40 0.00 0.00 179.01 178.46 2jqo h GLY 47 N -0.83 0.59 1.04 -3.84 0.00 -1.97 0.26 103.07 98.31 2jqo h GLY 47 Ca -0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2jqo h GLY 47 CO -0.09 0.22 -0.02 1.46 0.00 0.00 0.00 176.54 178.12 2jqo h GLN 48 N 0.57 0.95 -0.06 4.80 4.20 -1.81 -1.75 115.11 122.00 2jqo h GLN 48 Ca 0.15 -0.31 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 2jqo h GLN 48 Cb -0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2jqo h GLN 48 CO -0.03 0.97 -0.69 -0.07 -0.67 0.00 0.00 178.83 178.34 2jqo h LEU 49 N 0.82 0.32 -2.00 1.46 3.38 -0.21 -2.60 115.31 116.49 2jqo h LEU 49 Ca 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2jqo h LEU 49 Cb 0.55 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jqo h LEU 49 CO 0.03 0.92 -0.10 0.24 0.09 0.00 0.00 178.44 179.62 2jqo h MET 50 N 0.19 0.00 0.02 1.13 2.86 -0.12 0.26 114.93 119.27 2jqo h MET 50 Ca -0.02 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.32 2jqo h MET 50 Cb 1.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.86 2jqo h MET 50 CO 0.11 0.10 -1.76 0.09 1.06 0.00 0.00 176.91 176.51 2jqo n ASN 51 N -3.61 1.05 0.10 1.22 3.02 -0.69 -2.71 115.26 113.64 2jqo n ASN 51 Ca -0.02 0.38 -0.21 0.00 -0.03 0.00 0.00 54.58 54.70 2jqo n ASN 51 Cb 0.22 -0.17 -0.13 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.01 0.55 -2.00 3.52 3.64 -1.05 -3.28 116.57 117.96 2jqo h LYS 52 Ca -0.31 -0.77 -0.65 0.00 -1.27 0.00 0.00 60.65 57.64 2jqo h LYS 52 Cb 2.02 0.26 -0.37 0.00 -0.41 0.00 0.00 32.23 33.73 2jqo h LYS 52 CO 0.08 1.35 -0.13 1.19 -2.27 0.00 0.00 179.45 179.67 2jqo n PHE 53 N -3.74 3.48 -1.69 1.91 3.72 0.88 -5.04 117.46 116.99 2jqo n PHE 53 Ca -0.13 -3.23 -0.43 0.00 -0.05 0.00 0.00 57.45 53.61 2jqo n PHE 53 Cb 1.00 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 2jqo n PHE 53 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2jqo s LYS 54 N -3.74 3.42 -0.27 -1.08 2.20 -1.10 -0.62 119.74 118.54 2jqo s LYS 54 Ca 0.47 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2jqo s LYS 54 Cb 0.33 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 2jqo s LYS 54 CO -0.20 -1.77 0.00 0.09 -0.36 0.00 0.00 175.35 173.11 2jqo n ASN 55 N 10.43 -5.13 -0.81 1.43 3.02 -1.26 -4.77 115.26 118.18 2jqo n ASN 55 Ca 0.26 0.06 0.07 0.00 -0.03 0.00 0.00 54.58 54.95 2jqo n ASN 55 Cb 0.44 -2.85 0.19 0.00 -0.61 0.00 0.00 39.78 36.95 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 -0.68 3.12 -4.15 6.41 3.02 0.20 -4.85 115.26 118.32 2jqo n ASN 56 Ca -0.03 -1.96 -0.28 0.00 -0.03 0.00 0.00 54.58 52.28 2jqo n ASN 56 Cb 0.39 -0.27 -0.16 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.02 1.64 -0.13 2.41 2.07 -1.06 -2.02 121.20 123.09 2jqo s ILE 57 Ca 0.29 -0.80 0.03 0.00 -1.41 0.00 0.00 60.65 58.76 2jqo s ILE 57 Cb 0.15 -1.42 0.01 0.00 0.13 0.00 0.00 42.46 41.33 2jqo s ILE 57 CO 0.20 0.47 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.79 2jqo s VAL 58 N 0.24 2.05 -0.72 4.00 1.01 0.12 -3.95 120.40 123.15 2jqo s VAL 58 Ca -0.11 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 2jqo s VAL 58 Cb -0.15 -1.81 0.11 0.00 0.00 0.00 0.00 36.38 34.54 2jqo s VAL 58 CO 0.05 0.55 0.90 -0.63 0.00 0.00 0.00 175.10 175.97 2jqo s ILE 59 N 0.74 4.72 0.42 2.22 1.01 -0.23 -0.52 121.20 129.55 2jqo s ILE 59 Ca -0.09 -1.10 -0.23 0.00 0.00 0.00 0.00 60.65 59.23 2jqo s ILE 59 Cb -0.16 -4.62 -0.09 0.00 0.01 0.00 0.00 42.46 37.60 2jqo s ILE 59 CO -0.00 -1.32 1.03 0.68 0.00 0.00 0.00 174.94 175.33 2jqo s VAL 60 N 2.87 3.85 -0.27 2.92 -7.23 0.84 -3.15 120.40 120.23 2jqo s VAL 60 Ca 0.21 1.31 -0.17 0.00 -1.81 0.00 0.00 61.98 61.52 2jqo s VAL 60 Cb -0.16 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 2jqo s VAL 60 CO 0.02 -0.09 0.45 -0.83 -0.31 0.00 0.00 175.10 174.33 2jqo s GLY 61 N -1.76 1.86 -0.18 2.32 0.00 0.69 -0.80 107.32 109.45 2jqo s GLY 61 Ca 0.61 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.65 2jqo s GLY 61 CO 0.23 1.13 1.32 1.04 0.00 0.00 0.00 173.10 176.82 2jqo n LEU 62 N 5.45 4.26 -0.27 0.66 4.77 0.23 -1.29 117.00 130.81 2jqo n LEU 62 Ca -0.06 -2.21 0.01 0.00 -0.03 0.00 0.00 56.01 53.71 2jqo n LEU 62 Cb 0.50 -0.63 0.21 0.00 -2.33 0.00 0.00 43.42 41.17 2jqo n LEU 62 CO 0.39 0.65 1.26 0.28 -1.33 0.00 0.00 177.39 178.64 2jqo h SER 63 N 0.86 0.94 0.34 -1.43 0.02 -1.81 -2.19 113.55 110.29 2jqo h SER 63 Ca 0.21 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2jqo h SER 63 Cb 1.66 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2jqo h SER 63 CO 0.42 0.67 -0.60 -0.62 -1.14 0.00 0.00 176.83 175.57 2jqo n GLU 64 N -4.42 0.11 -3.96 3.45 -0.58 -1.26 -4.77 120.64 109.23 2jqo n GLU 64 Ca 0.10 -0.08 -0.33 0.00 -0.42 0.00 0.00 57.16 56.43 2jqo n GLU 64 Cb 0.05 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.28 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 -2.94 2.63 0.01 -3.67 1.01 -0.82 -4.92 121.20 112.49 2jqo s ILE 65 Ca 0.12 -1.90 -0.11 0.00 0.00 0.00 0.00 60.65 58.76 2jqo s ILE 65 Cb 0.17 -2.72 -0.32 0.00 0.01 0.00 0.00 42.46 39.60 2jqo s ILE 65 CO 0.72 -0.37 0.90 0.44 0.00 0.00 0.00 174.94 176.63 2jqo h ASP 66 N 7.83 0.66 -0.09 3.58 3.32 -1.86 -3.36 116.42 126.49 2jqo h ASP 66 Ca -0.13 -0.80 -0.18 0.00 0.02 0.00 0.00 57.03 55.94 2jqo h ASP 66 Cb 1.04 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 2jqo h ASP 66 CO 0.55 1.65 -0.24 -0.46 -1.72 0.00 0.00 179.24 179.01 2jqo n ASN 67 N -3.61 5.38 -0.80 6.45 6.94 -1.26 -4.36 115.26 124.00 2jqo n ASN 67 Ca -0.18 -2.53 0.02 0.00 -0.02 0.00 0.00 54.58 51.87 2jqo n ASN 67 Cb 1.08 -1.35 0.11 0.00 -2.36 0.00 0.00 39.78 37.26 2jqo n ASN 67 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2jqo n THR 68 N 2.15 0.67 0.19 5.53 -2.24 -1.26 -3.45 114.28 115.88 2jqo n THR 68 Ca 0.35 -0.36 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 2jqo n THR 68 Cb 0.81 -0.35 0.31 0.00 -2.10 0.00 0.00 70.33 69.00 2jqo n THR 68 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2jqo h ASP 69 N 1.09 0.00 0.56 3.42 3.58 -1.95 -2.38 116.42 120.74 2jqo h ASP 69 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2jqo h ASP 69 Cb 0.80 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2jqo h ASP 69 CO 0.11 0.33 -0.26 0.44 -2.88 0.00 0.00 179.24 176.99 2jqo h ASP 70 N 0.00 0.00 -3.24 2.28 5.19 -1.95 -3.42 116.42 115.28 2jqo h ASP 70 Ca -0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.82 2jqo h ASP 70 Cb 0.95 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.39 2jqo h ASP 70 CO 0.04 0.26 0.52 -0.22 -3.12 0.00 0.00 179.24 176.72 2jqo s LEU 71 N -7.40 4.12 0.35 1.55 2.96 -0.90 -5.04 118.68 114.33 2jqo s LEU 71 Ca -0.02 1.18 0.09 0.00 -0.22 0.00 0.00 54.13 55.17 2jqo s LEU 71 Cb 0.13 -3.30 -0.06 0.00 0.50 0.00 0.00 46.19 43.45 2jqo s LEU 71 CO 0.65 -0.51 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.57 2jqo s LYS 72 N 2.65 1.88 -0.09 1.98 1.02 -1.26 -5.00 119.74 120.92 2jqo s LYS 72 Ca 0.39 -1.92 -0.26 0.00 0.02 0.00 0.00 55.97 54.19 2jqo s LYS 72 Cb -0.16 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.39 2jqo s LYS 72 CO 0.09 0.12 0.84 0.50 -0.92 0.00 0.00 175.35 175.98 2jqo s ARG 73 N -3.64 4.42 0.00 1.68 3.52 -1.26 -4.10 118.95 119.56 2jqo s ARG 73 Ca 0.33 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 57.03 2jqo s ARG 73 Cb 0.03 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 2jqo s ARG 73 CO 0.17 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 2jqo n GLY 74 N 3.18 0.88 0.39 8.12 0.00 0.53 -5.03 105.19 113.26 2jqo n GLY 74 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.58 -3.86 1.61 1.02 -1.02 -4.97 120.64 114.01 2jqo n GLU 75 Ca 0.00 -0.41 -0.16 0.00 -0.02 0.00 0.00 57.16 56.57 2jqo n GLU 75 Cb 0.00 0.26 -0.16 0.00 -0.02 0.00 0.00 31.44 31.52 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 -2.18 0.16 0.19 3.49 2.20 -1.26 0.18 119.74 122.52 2jqo s LYS 76 Ca 0.03 0.13 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 2jqo s LYS 76 Cb 0.00 -0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 35.88 2jqo s LYS 76 CO 0.02 -0.16 0.05 0.96 -0.36 0.00 0.00 175.35 175.87 2jqo s ILE 77 N 1.08 0.41 -0.27 5.43 -4.36 -0.30 -1.21 121.20 121.99 2jqo s ILE 77 Ca -0.09 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 2jqo s ILE 77 Cb -0.13 -2.27 0.07 0.00 1.25 0.00 0.00 42.46 41.38 2jqo s ILE 77 CO -0.02 -0.30 -0.04 -0.75 0.24 0.00 0.00 174.94 174.06 2jqo s LYS 78 N -4.01 1.77 0.08 0.37 2.20 0.12 -1.20 119.74 119.06 2jqo s LYS 78 Ca 0.29 -1.34 -0.02 0.00 -0.36 0.00 0.00 55.97 54.54 2jqo s LYS 78 Cb 0.07 -2.81 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 2jqo s LYS 78 CO 0.07 -0.69 0.26 0.14 -0.36 0.00 0.00 175.35 174.77 2jqo s VAL 79 N 1.18 5.32 -0.34 4.02 -7.23 0.80 0.43 120.40 124.57 2jqo s VAL 79 Ca -0.02 -0.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.93 2jqo s VAL 79 Cb -0.19 -3.62 0.07 0.00 0.56 0.00 0.00 36.38 33.20 2jqo s VAL 79 CO -0.07 0.14 0.07 0.26 -0.31 0.00 0.00 175.10 175.18 2jqo s TRP 80 N -1.53 3.40 -0.11 2.82 0.51 -0.32 -0.76 118.94 122.95 2jqo s TRP 80 Ca 0.36 -2.11 -0.02 0.00 -2.12 0.00 0.00 56.10 52.21 2jqo s TRP 80 Cb -0.13 -2.51 -0.03 0.00 -0.81 0.00 0.00 33.47 29.99 2jqo s TRP 80 CO 0.25 -0.86 -0.04 -0.59 -0.51 0.00 0.00 176.95 175.20 2jqo s PHE 81 N 1.20 3.03 -0.21 -1.98 -0.12 -0.95 -3.23 117.98 115.72 2jqo s PHE 81 Ca 0.00 -0.08 -0.19 0.00 -0.05 0.00 0.00 56.93 56.61 2jqo s PHE 81 Cb -0.21 -1.84 -0.19 0.00 -0.63 0.00 0.00 43.02 40.15 2jqo s PHE 81 CO -0.02 0.19 0.13 1.58 -0.05 0.00 0.00 175.22 177.05 2jqo n HIS 82 N 2.81 0.87 -3.96 3.49 -0.00 -1.23 -3.16 115.22 114.05 2jqo n HIS 82 Ca -0.18 0.35 -0.35 0.00 -0.00 0.00 0.00 57.72 57.54 2jqo n HIS 82 Cb 0.53 -1.09 -0.11 0.00 -0.00 0.00 0.00 29.99 29.32 2jqo n HIS 82 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 2jqo s THR 83 N -2.41 4.60 -0.07 3.57 -1.32 -1.26 -4.98 115.64 113.78 2jqo s THR 83 Ca -0.30 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.11 2jqo s THR 83 Cb 0.07 -3.10 -0.03 0.00 -1.51 0.00 0.00 72.50 67.94 2jqo s THR 83 CO 0.59 0.42 -0.11 -0.60 -2.21 0.00 0.00 174.62 172.71 2jqo s ARG 84 N 0.79 2.75 -0.08 7.08 3.52 -1.26 -2.07 118.95 129.68 2jqo s ARG 84 Ca 0.03 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 2jqo s ARG 84 Cb -0.14 -2.52 -0.01 0.00 -1.56 0.00 0.00 34.95 30.73 2jqo s ARG 84 CO 0.02 0.58 -0.21 0.15 -0.81 0.00 0.00 175.30 175.03 2jqo s LYS 85 N -0.60 2.77 -0.75 5.12 1.02 0.11 -4.97 119.74 122.44 2jqo s LYS 85 Ca 0.09 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.26 2jqo s LYS 85 Cb -0.11 -2.30 0.35 0.00 -0.52 0.00 0.00 37.83 35.24 2jqo s LYS 85 CO 0.02 0.36 1.45 0.39 -0.92 0.00 0.00 175.35 176.65 2jqo n GLU 86 N 3.04 3.91 0.22 1.68 1.02 -1.26 0.14 120.64 129.38 2jqo n GLU 86 Ca -0.18 -4.51 0.10 0.00 -0.02 0.00 0.00 57.16 52.55 2jqo n GLU 86 Cb 0.52 -2.32 0.40 0.00 -0.02 0.00 0.00 31.44 30.02 2jqo n GLU 86 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jqo h SER 87 N 3.31 0.00 -4.62 1.62 4.64 -1.91 -3.47 113.55 113.13 2jqo h SER 87 Ca 0.37 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.70 2jqo h SER 87 Cb 0.43 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.41 2jqo h SER 87 CO 1.05 0.22 -1.31 0.59 -0.87 0.00 0.00 176.83 176.51 2jqo n ASN 88 N -3.32 -0.67 -4.75 4.97 3.02 -1.26 -4.86 115.26 108.39 2jqo n ASN 88 Ca 0.01 1.10 -0.38 0.00 -0.03 0.00 0.00 54.58 55.28 2jqo n ASN 88 Cb 0.47 -4.49 0.03 0.00 -0.61 0.00 0.00 39.78 35.18 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2jqo s PRO 89 N -0.75 3.23 0.71 3.52 0.04 -1.26 -5.11 135.00 135.38 2jqo s PRO 89 Ca -0.24 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 2jqo s PRO 89 Cb 0.02 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.35 2jqo s PRO 89 CO 0.65 -1.05 1.04 -2.30 0.04 0.00 0.00 177.00 175.37 2jqo n PRO 90 N -1.04 0.60 -4.20 0.56 -0.02 -1.25 -4.77 135.00 124.87 2jqo n PRO 90 Ca 0.10 0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 2jqo n PRO 90 Cb 0.47 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 2jqo n PRO 90 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jqo s SER 91 N -1.61 1.28 -0.29 2.55 0.15 0.12 -1.07 113.70 114.82 2jqo s SER 91 Ca 0.75 -1.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 2jqo s SER 91 Cb -0.35 0.08 0.18 0.00 -1.71 0.00 0.00 66.02 64.22 2jqo s SER 91 CO 0.48 -0.47 0.56 0.00 1.20 0.00 0.00 173.24 175.01 2jqo s ALA 92 N -3.58 -2.02 -0.31 5.45 0.00 -1.19 0.07 121.76 120.18 2jqo s ALA 92 Ca 0.16 1.67 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 2jqo s ALA 92 Cb 0.05 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 2jqo s ALA 92 CO -0.02 -1.31 1.42 0.99 0.00 0.00 0.00 175.76 176.84 2jqo s THR 93 N 2.80 3.95 -0.13 0.00 2.01 -0.88 -0.22 115.64 123.17 2jqo s THR 93 Ca 0.19 1.05 -0.07 0.00 0.31 0.00 0.00 61.69 63.17 2jqo s THR 93 Cb -0.15 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2jqo s THR 93 CO -0.20 -0.50 0.14 0.27 -0.69 0.00 0.00 174.62 173.64 2jqo s ILE 94 N 4.91 5.49 -0.69 1.82 -4.36 -0.41 -3.50 121.20 124.45 2jqo s ILE 94 Ca 0.62 0.20 0.16 0.00 -0.26 0.00 0.00 60.65 61.37 2jqo s ILE 94 Cb -0.18 -3.41 -0.18 0.00 1.25 0.00 0.00 42.46 39.94 2jqo s ILE 94 CO 0.27 0.59 0.65 0.00 0.24 0.00 0.00 174.94 176.70 2jqo n GLN 95 N 2.23 1.59 -3.59 0.37 6.02 -1.20 -4.01 117.38 118.79 2jqo n GLN 95 Ca -0.19 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.63 2jqo n GLN 95 Cb 0.55 -1.27 -0.07 0.00 1.02 0.00 0.00 30.24 30.47 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 -2.57 0.92 0.02 -1.09 2.20 -1.25 -4.78 119.74 113.20 2jqo s LYS 96 Ca 0.05 0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 56.23 2jqo s LYS 96 Cb 0.12 0.44 0.01 0.00 -1.51 0.00 0.00 37.83 36.89 2jqo s LYS 96 CO 0.66 -0.19 0.23 1.52 -0.36 0.00 0.00 175.35 177.21 2jqo s TYR 97 N -0.28 -0.03 0.02 4.03 1.13 -1.26 -1.17 117.35 119.78 2jqo s TYR 97 Ca -0.05 -0.07 0.06 0.00 -1.41 0.00 0.00 57.07 55.60 2jqo s TYR 97 Cb -0.03 0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.82 2jqo s TYR 97 CO 0.05 -0.41 -0.15 -2.00 -2.51 0.00 0.00 175.55 170.53 2jqo s GLU 98 N -2.04 2.26 -0.04 -3.49 2.12 0.17 -4.98 118.70 112.69 2jqo s GLU 98 Ca -0.09 -0.87 -0.15 0.00 0.36 0.00 0.00 54.97 54.21 2jqo s GLU 98 Cb -0.03 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 32.01 2jqo s GLU 98 CO -0.01 0.57 0.41 -1.17 -0.54 0.00 0.00 175.26 174.52 2jqo s LEU 99 N -1.33 4.41 -0.47 2.70 2.96 -1.26 0.11 118.68 125.79 2jqo s LEU 99 Ca 0.15 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2jqo s LEU 99 Cb -0.11 -2.59 0.13 0.00 0.50 0.00 0.00 46.19 44.12 2jqo s LEU 99 CO 0.05 0.23 0.23 -0.76 -1.32 0.00 0.00 176.35 174.78 2jqo s LEU 100 N -0.52 3.72 0.35 -0.68 1.43 -0.35 -4.86 118.68 117.78 2jqo s LEU 100 Ca 0.23 -2.78 -0.21 0.00 -1.03 0.00 0.00 54.13 50.34 2jqo s LEU 100 Cb -0.16 -1.41 -0.10 0.00 0.03 0.00 0.00 46.19 44.55 2jqo s LEU 100 CO 0.12 -0.26 0.87 -0.76 0.23 0.00 0.00 176.35 176.55 2jqo s LEU 101 N 0.07 4.13 0.17 1.79 1.43 -1.26 -4.18 118.68 120.83 2jqo s LEU 101 Ca 0.17 1.61 -0.13 0.00 -1.03 0.00 0.00 54.13 54.74 2jqo s LEU 101 Cb -0.25 -4.17 0.07 0.00 0.03 0.00 0.00 46.19 41.87 2jqo s LEU 101 CO -0.01 -0.19 1.76 -0.33 0.23 0.00 0.00 176.35 177.81 2jqo h GLU 102 N 2.54 0.80 -4.75 1.70 5.08 -1.99 -3.40 114.58 114.56 2jqo h GLU 102 Ca -0.48 -0.11 -0.68 0.00 -1.00 0.00 0.00 59.36 57.10 2jqo h GLU 102 Cb 1.18 -0.15 -0.19 0.00 0.50 0.00 0.00 28.75 30.10 2jqo h GLU 102 CO 0.64 0.64 -0.44 -1.01 -1.00 0.00 0.00 179.01 177.84 2jqo s HIS 103 N -5.77 3.23 -0.40 4.33 3.76 -1.26 -4.92 115.29 114.26 2jqo s HIS 103 Ca -0.13 -0.20 0.23 0.00 -0.15 0.00 0.00 55.06 54.81 2jqo s HIS 103 Cb 0.12 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 2jqo s HIS 103 CO 0.77 -0.39 0.93 0.72 -0.85 0.00 0.00 174.74 175.92 2jqo n HIS 104 N 5.17 0.41 -3.91 1.40 8.25 -1.26 -4.67 115.22 120.61 2jqo n HIS 104 Ca -0.12 0.12 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 2jqo n HIS 104 Cb 0.49 -0.59 -0.14 0.00 1.12 0.00 0.00 29.99 30.88 2jqo n HIS 104 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jqo s HIS 105 N -3.30 3.37 -0.77 4.41 3.76 -1.26 -5.06 115.29 116.44 2jqo s HIS 105 Ca 0.00 -2.11 -0.26 0.00 -0.15 0.00 0.00 55.06 52.54 2jqo s HIS 105 Cb 0.13 -2.37 0.02 0.00 1.11 0.00 0.00 32.58 31.47 2jqo s HIS 105 CO 0.82 -0.85 1.41 -1.01 -0.85 0.00 0.00 174.74 174.25 2jqo s HIS 106 N 1.19 2.21 -0.25 1.40 0.09 -1.26 -4.69 115.29 113.98 2jqo s HIS 106 Ca -0.02 -0.03 -0.08 0.00 -0.00 0.00 0.00 55.06 54.93 2jqo s HIS 106 Cb -0.20 -4.54 -0.16 0.00 -0.00 0.00 0.00 32.58 27.67 2jqo s HIS 106 CO -0.03 -2.08 -0.18 1.58 -0.00 0.00 0.00 174.74 174.03 2jqo n HIS 107 N 9.93 0.23 -1.33 1.40 -0.00 -1.26 -5.26 115.22 118.93 2jqo n HIS 107 Ca 0.11 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 2jqo n HIS 107 Cb 0.50 -1.03 0.00 0.00 -0.00 0.00 0.00 29.99 29.46 2jqo n HIS 107 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06