#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqo h ASN 2 N 0.00 0.00 -3.32 7.83 -0.26 -2.07 -3.38 115.58 114.38 2jqo h ASN 2 Ca 0.00 0.00 -0.73 0.00 -0.56 0.00 0.00 56.30 55.01 2jqo h ASN 2 Cb 0.00 0.00 -0.29 0.00 -1.06 0.00 0.00 38.32 36.97 2jqo h ASN 2 CO 0.00 0.70 -0.34 -0.54 -1.06 0.00 0.00 177.43 176.18 2jqo s LYS 3 N -3.37 2.60 0.46 0.81 1.02 -1.26 -4.98 119.74 115.02 2jqo s LYS 3 Ca -0.01 -1.82 0.08 0.00 0.02 0.00 0.00 55.97 54.24 2jqo s LYS 3 Cb 0.12 -4.00 0.01 0.00 -0.52 0.00 0.00 37.83 33.44 2jqo s LYS 3 CO 0.77 -1.22 0.46 -0.80 -0.92 0.00 0.00 175.35 173.64 2jqo s ASN 4 N 2.72 5.04 -1.47 2.83 0.01 -1.26 -5.00 114.94 117.80 2jqo s ASN 4 Ca 0.06 -0.83 -0.14 0.00 -0.71 0.00 0.00 52.86 51.25 2jqo s ASN 4 Cb -0.26 -0.26 0.02 0.00 0.41 0.00 0.00 41.25 41.16 2jqo s ASN 4 CO -0.01 -0.85 2.31 -0.62 -1.51 0.00 0.00 177.10 176.42 2jqo n GLU 5 N -1.72 2.93 0.04 -0.60 1.02 -1.26 -3.56 120.64 117.49 2jqo n GLU 5 Ca 0.05 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 2jqo n GLU 5 Cb 0.62 -3.22 0.00 0.00 -0.02 0.00 0.00 31.44 28.81 2jqo n GLU 5 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2jqo n GLN 6 N 5.81 0.00 -1.08 3.49 7.27 -1.26 -4.96 117.38 126.65 2jqo n GLN 6 Ca 0.55 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 57.41 2jqo n GLN 6 Cb 0.37 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.05 2jqo n GLN 6 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2jqo n ASN 7 N -2.41 6.67 -0.98 1.69 4.13 -1.24 -3.68 115.26 119.44 2jqo n ASN 7 Ca 0.00 -3.21 -0.03 0.00 1.68 0.00 0.00 54.58 53.02 2jqo n ASN 7 Cb 0.00 -1.08 -0.02 0.00 -1.54 0.00 0.00 39.78 37.14 2jqo n ASN 7 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jqo n GLY 8 N 0.25 0.14 0.00 7.41 0.00 -1.23 -4.75 105.19 107.00 2jqo n GLY 8 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2jqo n GLY 8 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqo n ASP 9 N -0.13 1.29 0.00 1.61 2.03 -1.24 -4.94 116.55 115.16 2jqo n ASP 9 Ca -0.15 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.76 2jqo n ASP 9 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2jqo n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jqo n GLU 10 N -0.14 1.52 -3.01 -0.67 1.02 -1.26 -5.05 120.64 113.04 2jqo n GLU 10 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2jqo n GLU 10 Cb 0.00 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 30.48 2jqo n GLU 10 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2jqo s THR 11 N -1.53 4.54 -0.63 2.62 -1.32 -1.26 -5.03 115.64 113.03 2jqo s THR 11 Ca 0.00 1.23 -0.04 0.00 -1.21 0.00 0.00 61.69 61.67 2jqo s THR 11 Cb 0.00 -3.68 0.16 0.00 -1.51 0.00 0.00 72.50 67.47 2jqo s THR 11 CO 0.00 -0.13 0.46 -0.75 -2.21 0.00 0.00 174.62 171.99 2jqo s LYS 12 N -2.79 2.63 -0.01 7.08 2.20 -1.26 -5.06 119.74 122.53 2jqo s LYS 12 Ca 0.54 -2.49 0.08 0.00 -0.36 0.00 0.00 55.97 53.74 2jqo s LYS 12 Cb -0.12 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 2jqo s LYS 12 CO 0.17 -1.18 -0.26 -1.64 -0.36 0.00 0.00 175.35 172.08 2jqo s MET 13 N 0.01 2.07 0.00 4.03 -1.94 -1.26 -4.78 119.30 117.43 2jqo s MET 13 Ca 0.17 -0.96 -0.21 0.00 -1.71 0.00 0.00 55.69 52.98 2jqo s MET 13 Cb -0.20 -2.03 -0.05 0.00 2.01 0.00 0.00 34.83 34.56 2jqo s MET 13 CO -0.04 0.55 0.60 -0.65 -0.01 0.00 0.00 175.02 175.48 2jqo s GLN 14 N -0.70 4.32 -0.12 2.03 -0.21 0.99 -4.80 119.66 121.17 2jqo s GLN 14 Ca 0.10 0.75 -0.06 0.00 0.02 0.00 0.00 55.36 56.17 2jqo s GLN 14 Cb -0.10 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 2jqo s GLN 14 CO -0.01 0.38 0.11 -1.54 -2.12 0.00 0.00 175.29 172.11 2jqo s SER 15 N -0.25 6.10 -0.04 5.90 1.04 -1.25 -1.00 113.70 124.20 2jqo s SER 15 Ca 0.31 0.38 -0.02 0.00 0.48 0.00 0.00 55.95 57.10 2jqo s SER 15 Cb -0.18 -1.93 0.03 0.00 0.10 0.00 0.00 66.02 64.04 2jqo s SER 15 CO 0.18 0.39 0.07 -0.22 0.98 0.00 0.00 173.24 174.63 2jqo s LEU 16 N -0.92 0.19 -0.15 2.42 2.96 0.62 -4.93 118.68 118.89 2jqo s LEU 16 Ca 0.14 0.10 -0.20 0.00 -0.22 0.00 0.00 54.13 53.96 2jqo s LEU 16 Cb -0.12 -0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 2jqo s LEU 16 CO 0.03 -0.24 0.56 -0.69 -1.32 0.00 0.00 176.35 174.70 2jqo s VAL 17 N 2.09 5.10 0.08 1.68 1.01 -1.26 0.26 120.40 129.36 2jqo s VAL 17 Ca 0.04 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 63.00 2jqo s VAL 17 Cb -0.12 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.38 2jqo s VAL 17 CO -0.03 0.22 0.25 -0.83 0.00 0.00 0.00 175.10 174.71 2jqo s GLY 18 N 0.92 -0.02 -0.20 4.51 0.00 0.74 -4.19 107.32 109.09 2jqo s GLY 18 Ca 0.28 -0.38 -0.11 0.00 0.00 0.00 0.00 44.72 44.52 2jqo s GLY 18 CO 0.11 -0.58 0.16 -0.19 0.00 0.00 0.00 173.10 172.60 2jqo s TYR 19 N -3.50 3.41 -0.51 1.90 1.51 -0.48 -1.12 117.35 118.57 2jqo s TYR 19 Ca 0.02 0.37 -0.27 0.00 -1.01 0.00 0.00 57.07 56.18 2jqo s TYR 19 Cb 0.03 -2.20 0.03 0.00 -0.11 0.00 0.00 41.96 39.71 2jqo s TYR 19 CO -0.09 0.27 1.04 0.08 -1.11 0.00 0.00 175.55 175.73 2jqo s VAL 20 N 0.41 4.30 -0.15 0.71 1.01 0.50 -1.07 120.40 126.12 2jqo s VAL 20 Ca 0.09 0.80 0.16 0.00 0.00 0.00 0.00 61.98 63.03 2jqo s VAL 20 Cb -0.11 -4.56 -0.22 0.00 0.00 0.00 0.00 36.38 31.49 2jqo s VAL 20 CO -0.01 -1.04 0.11 1.33 0.00 0.00 0.00 175.10 175.49 2jqo n VAL 21 N 6.54 0.98 -3.84 2.92 0.24 -0.92 -1.30 118.33 122.95 2jqo n VAL 21 Ca 0.07 -0.67 -0.21 0.00 -2.04 0.00 0.00 64.34 61.49 2jqo n VAL 21 Cb 0.49 -0.45 -0.17 0.00 -1.47 0.00 0.00 33.84 32.23 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2jqo s LEU 22 N -5.09 0.73 -0.22 1.34 2.96 -1.08 -4.69 118.68 112.62 2jqo s LEU 22 Ca -0.08 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2jqo s LEU 22 Cb 0.06 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 2jqo s LEU 22 CO 0.70 -0.17 0.05 -0.75 -1.32 0.00 0.00 176.35 174.87 2jqo s LYS 23 N 1.70 3.73 0.38 1.98 2.36 -1.26 -0.29 119.74 128.34 2jqo s LYS 23 Ca 0.01 -0.45 0.08 0.00 -2.55 0.00 0.00 55.97 53.05 2jqo s LYS 23 Cb -0.13 -3.25 -0.05 0.00 -1.05 0.00 0.00 37.83 33.36 2jqo s LYS 23 CO -0.04 -0.03 0.15 0.34 1.55 0.00 0.00 175.35 177.33 2jqo s ASP 24 N 1.17 4.51 0.27 1.43 2.15 0.09 -5.00 116.67 121.28 2jqo s ASP 24 Ca 0.04 -0.94 0.07 0.00 0.43 0.00 0.00 52.55 52.14 2jqo s ASP 24 Cb -0.14 -0.58 0.36 0.00 -0.30 0.00 0.00 42.92 42.26 2jqo s ASP 24 CO 0.03 -0.42 1.63 0.78 -0.17 0.00 0.00 175.17 177.02 2jqo h ASN 25 N 1.50 0.20 0.00 -0.34 2.35 -1.99 -3.27 115.58 114.03 2jqo h ASN 25 Ca -0.43 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2jqo h ASN 25 Cb 1.25 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2jqo h ASN 25 CO 0.66 0.69 0.00 -0.62 -1.65 0.00 0.00 177.43 176.52 2jqo n GLU 26 N -3.92 -0.22 -4.12 0.81 1.02 -1.26 -4.71 120.64 108.24 2jqo n GLU 26 Ca -0.02 -0.60 -0.10 0.00 -0.02 0.00 0.00 57.16 56.41 2jqo n GLU 26 Cb 0.56 -0.93 -0.09 0.00 -0.02 0.00 0.00 31.44 30.96 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 -0.16 1.16 -0.12 3.49 0.52 -1.23 0.31 118.95 122.92 2jqo s ARG 27 Ca 0.00 -1.45 -0.04 0.00 -0.52 0.00 0.00 55.73 53.72 2jqo s ARG 27 Cb 0.00 0.31 0.06 0.00 0.52 0.00 0.00 34.95 35.84 2jqo s ARG 27 CO 0.00 -0.39 0.23 0.00 0.02 0.00 0.00 175.30 175.16 2jqo s ALA 28 N -4.08 -0.42 -0.51 2.13 0.00 0.44 -0.73 121.76 118.60 2jqo s ALA 28 Ca 0.29 0.79 -0.25 0.00 0.00 0.00 0.00 51.96 52.79 2jqo s ALA 28 Cb 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.24 2jqo s ALA 28 CO 0.06 -0.64 0.93 0.42 0.00 0.00 0.00 175.76 176.54 2jqo s ILE 29 N 2.38 4.43 -0.04 0.00 1.01 0.60 -0.77 121.20 128.81 2jqo s ILE 29 Ca 0.02 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.19 2jqo s ILE 29 Cb -0.12 -4.49 -0.03 0.00 0.01 0.00 0.00 42.46 37.83 2jqo s ILE 29 CO -0.08 -0.98 -0.06 -0.76 0.00 0.00 0.00 174.94 173.06 2jqo s LEU 30 N 3.86 3.19 -0.25 2.97 1.43 0.57 -2.17 118.68 128.28 2jqo s LEU 30 Ca 0.34 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.27 2jqo s LEU 30 Cb -0.11 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2jqo s LEU 30 CO 0.23 0.33 0.14 -0.63 0.23 0.00 0.00 176.35 176.64 2jqo s ILE 31 N -0.90 5.02 -0.87 -0.59 1.01 -0.23 0.00 121.20 124.64 2jqo s ILE 31 Ca 0.15 0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 2jqo s ILE 31 Cb -0.11 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2jqo s ILE 31 CO 0.04 0.31 1.85 0.42 0.00 0.00 0.00 174.94 177.56 2jqo s THR 32 N 1.43 3.51 -0.20 2.92 -4.23 0.82 -1.39 115.64 118.50 2jqo s THR 32 Ca 0.07 -0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.23 2jqo s THR 32 Cb -0.15 -4.17 0.01 0.00 1.34 0.00 0.00 72.50 69.54 2jqo s THR 32 CO 0.07 -1.10 0.06 -0.67 -0.54 0.00 0.00 174.62 172.43 2jqo n ASP 33 N 12.96 -4.60 -1.31 3.99 2.03 -1.26 -4.95 116.55 123.41 2jqo n ASP 33 Ca 0.35 1.05 0.11 0.00 0.52 0.00 0.00 54.79 56.82 2jqo n ASP 33 Cb 0.48 -4.22 0.31 0.00 -0.72 0.00 0.00 41.12 36.98 2jqo n ASP 33 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2jqo n THR 34 N 0.77 1.11 -3.19 5.18 -1.04 -1.26 -4.91 114.28 110.94 2jqo n THR 34 Ca -0.11 -1.03 -0.23 0.00 -2.04 0.00 0.00 64.05 60.64 2jqo n THR 34 Cb 0.16 0.45 0.02 0.00 -1.82 0.00 0.00 70.33 69.15 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 1.46 -4.58 -2.21 -2.82 5.02 -1.26 -3.88 118.16 109.90 2jqo n LYS 35 Ca 0.23 0.75 -0.03 0.00 -2.02 0.00 0.00 58.31 57.25 2jqo n LYS 35 Cb 0.64 -5.58 -0.03 0.00 -0.02 0.00 0.00 35.03 30.05 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 -3.65 -3.17 -0.97 7.82 0.00 -1.26 -4.99 120.51 114.29 2jqo n ALA 36 Ca -0.07 1.40 -0.33 0.00 0.00 0.00 0.00 53.44 54.44 2jqo n ALA 36 Cb 0.59 -2.84 0.14 0.00 0.00 0.00 0.00 19.45 17.34 2jqo n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jqo n PRO 37 N 1.29 -0.03 -2.33 0.00 -0.02 -1.25 -5.02 135.00 127.65 2jqo n PRO 37 Ca -0.23 0.07 -0.26 0.00 -2.02 0.00 0.00 63.50 61.06 2jqo n PRO 37 Cb 0.35 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.49 2jqo n PRO 37 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2jqo s GLY 38 N -2.25 1.64 0.33 -1.23 0.00 -1.26 -4.94 107.32 99.61 2jqo s GLY 38 Ca 0.71 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.66 2jqo s GLY 38 CO 0.54 -0.47 1.94 1.70 0.00 0.00 0.00 173.10 176.81 2jqo h LYS 39 N -0.33 0.87 0.00 2.90 3.64 -2.00 -0.14 116.57 121.51 2jqo h LYS 39 Ca -0.45 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 2jqo h LYS 39 Cb 1.28 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2jqo h LYS 39 CO 0.60 0.57 -0.28 0.93 -2.27 0.00 0.00 179.45 179.01 2jqo h GLU 40 N 0.89 0.00 -0.13 1.90 4.39 -1.97 -2.61 114.58 117.05 2jqo h GLU 40 Ca 0.34 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.91 2jqo h GLU 40 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2jqo h GLU 40 CO -0.12 0.28 -0.51 -0.44 -1.16 0.00 0.00 179.01 177.06 2jqo h ASP 41 N 0.00 0.39 1.33 1.42 3.32 -1.39 -0.40 116.42 121.08 2jqo h ASP 41 Ca -0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2jqo h ASP 41 Cb 0.91 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2jqo h ASP 41 CO 0.04 0.83 0.00 1.88 -1.72 0.00 0.00 179.24 180.27 2jqo h TYR 42 N 0.28 0.00 0.00 4.55 0.05 -1.26 -2.92 116.97 117.67 2jqo h TYR 42 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2jqo h TYR 42 Cb 0.99 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2jqo h TYR 42 CO 0.03 0.00 -0.64 0.09 -1.05 0.00 0.00 178.16 176.59 2jqo n ASN 43 N -2.76 0.59 -4.67 3.88 3.02 -0.59 -4.91 115.26 109.82 2jqo n ASN 43 Ca 0.03 -0.11 -0.29 0.00 -0.03 0.00 0.00 54.58 54.18 2jqo n ASN 43 Cb 0.38 0.31 0.17 0.00 -0.61 0.00 0.00 39.78 40.03 2jqo n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jqo s LEU 44 N -3.62 1.94 0.50 3.41 1.43 -0.26 -5.06 118.68 117.02 2jqo s LEU 44 Ca 0.08 1.50 0.06 0.00 -1.03 0.00 0.00 54.13 54.74 2jqo s LEU 44 Cb 0.15 -3.78 0.04 0.00 0.03 0.00 0.00 46.19 42.62 2jqo s LEU 44 CO 0.73 -3.05 0.69 -0.94 0.23 0.00 0.00 176.35 174.00 2jqo s SER 45 N -3.20 5.39 0.12 2.29 1.04 -1.26 -4.92 113.70 113.15 2jqo s SER 45 Ca 0.65 -0.37 -0.28 0.00 0.48 0.00 0.00 55.95 56.42 2jqo s SER 45 Cb -0.20 -0.53 -0.08 0.00 0.10 0.00 0.00 66.02 65.31 2jqo s SER 45 CO 0.58 -1.02 1.61 -0.08 0.98 0.00 0.00 173.24 175.31 2jqo h GLU 46 N 0.34 -0.53 -0.90 4.02 4.81 -1.99 -0.18 114.58 120.15 2jqo h GLU 46 Ca -0.39 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.93 2jqo h GLU 46 Cb 1.28 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.73 2jqo h GLU 46 CO 0.46 -0.35 0.57 0.78 -0.73 0.00 0.00 179.01 179.74 2jqo h GLY 47 N -0.55 1.34 0.95 1.92 0.00 -1.99 0.30 103.07 105.05 2jqo h GLY 47 Ca 0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2jqo h GLY 47 CO -0.21 0.33 0.17 1.46 0.00 0.00 0.00 176.54 178.29 2jqo h GLN 48 N 1.08 0.67 -0.56 4.80 4.20 -1.84 -2.16 115.11 121.30 2jqo h GLN 48 Ca 0.38 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 2jqo h GLN 48 Cb 0.09 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2jqo h GLN 48 CO -0.15 0.62 0.20 -0.07 -0.67 0.00 0.00 178.83 178.77 2jqo h LEU 49 N 0.58 0.80 -1.60 1.46 3.38 -0.46 0.14 115.31 119.61 2jqo h LEU 49 Ca 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jqo h LEU 49 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2jqo h LEU 49 CO -0.01 0.78 0.24 0.24 0.09 0.00 0.00 178.44 179.78 2jqo h MET 50 N 0.78 0.51 0.05 1.13 2.86 -0.71 -0.11 114.93 119.44 2jqo h MET 50 Ca 0.18 -0.03 -0.34 0.00 -2.06 0.00 0.00 59.70 57.45 2jqo h MET 50 Cb 0.25 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 2jqo h MET 50 CO -0.01 0.35 -1.97 0.09 1.06 0.00 0.00 176.91 176.43 2jqo n ASN 51 N -4.47 1.38 -0.04 1.22 3.02 -0.83 -2.95 115.26 112.59 2jqo n ASN 51 Ca 0.03 0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 54.68 2jqo n ASN 51 Cb 0.07 -0.30 -0.09 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.03 0.20 -1.30 3.52 3.64 -0.61 -3.26 116.57 118.78 2jqo h LYS 52 Ca -0.40 -0.13 -0.67 0.00 -1.27 0.00 0.00 60.65 58.19 2jqo h LYS 52 Cb 2.04 0.02 -0.33 0.00 -0.41 0.00 0.00 32.23 33.55 2jqo h LYS 52 CO 0.06 0.71 0.43 1.19 -2.27 0.00 0.00 179.45 179.57 2jqo n PHE 53 N -4.64 3.10 -1.67 1.91 3.72 -0.07 -5.03 117.46 114.79 2jqo n PHE 53 Ca -0.08 -2.70 -0.43 0.00 -0.05 0.00 0.00 57.45 54.20 2jqo n PHE 53 Cb 0.36 -1.01 -0.00 0.00 -0.94 0.00 0.00 39.48 37.89 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 -0.72 1.91 0.00 -1.08 4.81 -1.15 -2.37 118.16 119.56 2jqo n LYS 54 Ca 0.54 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.65 2jqo n LYS 54 Cb 0.59 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.41 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 0.76 0.00 -0.04 3.14 3.02 -1.26 -4.53 115.26 116.35 2jqo n ASN 55 Ca 0.06 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.77 2jqo n ASN 55 Cb 0.36 0.00 0.88 0.00 -0.61 0.00 0.00 39.78 40.41 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 1.72 0.12 -4.61 6.41 4.13 -1.07 -4.71 115.26 117.24 2jqo n ASN 56 Ca 0.00 -0.89 -0.41 0.00 1.68 0.00 0.00 54.58 54.97 2jqo n ASN 56 Cb 0.00 -0.05 -0.07 0.00 -1.54 0.00 0.00 39.78 38.13 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 -2.10 4.99 -0.15 2.41 2.07 -1.00 -0.12 121.20 127.29 2jqo s ILE 57 Ca 0.44 0.92 0.01 0.00 -1.41 0.00 0.00 60.65 60.61 2jqo s ILE 57 Cb 0.22 -3.93 0.00 0.00 0.13 0.00 0.00 42.46 38.88 2jqo s ILE 57 CO 0.39 -0.03 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.51 2jqo s VAL 58 N 2.49 2.40 -0.54 4.00 1.01 0.10 -3.81 120.40 126.06 2jqo s VAL 58 Ca 0.24 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2jqo s VAL 58 Cb -0.15 -1.99 0.12 0.00 0.00 0.00 0.00 36.38 34.36 2jqo s VAL 58 CO 0.10 0.53 0.51 -0.63 0.00 0.00 0.00 175.10 175.61 2jqo s ILE 59 N 0.82 5.17 0.44 2.22 1.01 -0.07 -0.32 121.20 130.48 2jqo s ILE 59 Ca -0.06 -1.42 -0.13 0.00 0.00 0.00 0.00 60.65 59.04 2jqo s ILE 59 Cb -0.15 -4.34 -0.07 0.00 0.01 0.00 0.00 42.46 37.90 2jqo s ILE 59 CO -0.01 -0.88 0.85 0.68 0.00 0.00 0.00 174.94 175.59 2jqo s VAL 60 N 1.71 4.68 -0.21 2.92 -7.23 0.05 -1.86 120.40 120.46 2jqo s VAL 60 Ca 0.04 0.88 -0.14 0.00 -1.81 0.00 0.00 61.98 60.95 2jqo s VAL 60 Cb -0.29 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 32.89 2jqo s VAL 60 CO 0.04 -0.57 0.31 -0.83 -0.31 0.00 0.00 175.10 173.74 2jqo s GLY 61 N -3.07 2.07 0.00 2.32 0.00 0.53 -0.42 107.32 108.76 2jqo s GLY 61 Ca 0.54 -0.63 0.12 0.00 0.00 0.00 0.00 44.72 44.76 2jqo s GLY 61 CO 0.30 0.62 1.28 1.04 0.00 0.00 0.00 173.10 176.35 2jqo n LEU 62 N 4.28 3.04 0.29 0.66 4.77 0.15 -0.85 117.00 129.34 2jqo n LEU 62 Ca -0.11 -1.97 0.17 0.00 -0.03 0.00 0.00 56.01 54.07 2jqo n LEU 62 Cb 0.51 -0.26 0.87 0.00 -2.33 0.00 0.00 43.42 42.22 2jqo n LEU 62 CO 0.38 0.76 1.05 -1.28 -1.33 0.00 0.00 177.39 176.97 2jqo h SER 63 N 2.34 0.00 -0.05 -1.43 0.87 -1.78 -0.32 113.55 113.18 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 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2jqo h SER 63 CO 0.00 0.05 0.00 -0.62 -0.53 0.00 0.00 176.83 175.73 2jqo n GLU 64 N -3.32 1.81 -4.01 2.24 1.02 -1.26 -4.77 120.64 112.34 2jqo n GLU 64 Ca -0.02 -1.18 -0.30 0.00 -0.02 0.00 0.00 57.16 55.65 2jqo n GLU 64 Cb 0.20 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 29.99 2jqo n GLU 64 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jqo s ILE 65 N -1.96 1.61 -0.05 -3.67 1.01 -0.13 -5.00 121.20 113.01 2jqo s ILE 65 Ca 0.36 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 2jqo s ILE 65 Cb 0.20 -1.58 -0.14 0.00 0.01 0.00 0.00 42.46 40.96 2jqo s ILE 65 CO 0.32 0.34 0.80 0.44 0.00 0.00 0.00 174.94 176.84 2jqo h ASP 66 N 8.02 -0.25 -0.72 3.58 5.19 -1.86 -3.37 116.42 127.00 2jqo h ASP 66 Ca -0.34 -0.25 -0.73 0.00 -0.62 0.00 0.00 57.03 55.09 2jqo h ASP 66 Cb 1.12 0.06 -0.09 0.00 0.18 0.00 0.00 39.33 40.61 2jqo h ASP 66 CO 0.51 0.27 2.70 0.59 -3.12 0.00 0.00 179.24 180.19 2jqo n ASN 67 N -4.97 5.77 -1.30 6.45 3.02 -1.26 -4.35 115.26 118.62 2jqo n ASN 67 Ca -0.07 -2.96 0.12 0.00 -0.03 0.00 0.00 54.58 51.64 2jqo n ASN 67 Cb 0.25 -1.52 0.30 0.00 -0.61 0.00 0.00 39.78 38.19 2jqo n ASN 67 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jqo n THR 68 N 3.62 0.87 0.30 3.41 -2.24 -1.26 -4.40 114.28 114.58 2jqo n THR 68 Ca 0.53 -0.92 0.17 0.00 -2.27 0.00 0.00 64.05 61.56 2jqo n THR 68 Cb 0.33 0.59 0.76 0.00 -2.10 0.00 0.00 70.33 69.91 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 4.31 0.00 1.09 3.42 3.58 -1.94 0.28 116.42 127.15 2jqo h ASP 69 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jqo h ASP 69 Cb 0.98 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2jqo h ASP 69 CO 0.00 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.83 2jqo n ASP 70 N -2.92 0.40 -4.69 2.28 9.92 -1.26 -4.74 116.55 115.55 2jqo n ASP 70 Ca 0.00 0.55 -0.40 0.00 -0.53 0.00 0.00 54.79 54.41 2jqo n ASP 70 Cb 0.24 -0.65 -0.05 0.00 -0.64 0.00 0.00 41.12 40.01 2jqo n ASP 70 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2jqo s LEU 71 N -3.78 4.22 0.00 0.64 2.96 0.08 -5.06 118.68 117.75 2jqo s LEU 71 Ca 0.11 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 55.05 2jqo s LEU 71 Cb 0.14 -2.98 0.04 0.00 0.50 0.00 0.00 46.19 43.88 2jqo s LEU 71 CO 0.51 -0.21 0.29 0.29 -1.32 0.00 0.00 176.35 175.91 2jqo n LYS 72 N 4.53 0.69 -1.86 1.98 5.02 -1.26 -4.96 118.16 122.29 2jqo n LYS 72 Ca -0.01 -3.57 -0.39 0.00 -2.02 0.00 0.00 58.31 52.32 2jqo n LYS 72 Cb 0.50 0.56 -0.01 0.00 -0.02 0.00 0.00 35.03 36.06 2jqo n LYS 72 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jqo n ARG 73 N -1.65 4.37 0.00 1.97 1.74 -1.26 -3.99 116.66 117.82 2jqo n ARG 73 Ca -0.08 -3.21 0.00 0.00 -0.77 0.00 0.00 57.85 53.80 2jqo n ARG 73 Cb 0.64 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 2jqo n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jqo n GLY 74 N 1.98 0.00 3.81 -0.13 0.00 -0.42 -4.76 105.19 105.68 2jqo n GLY 74 Ca 0.65 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.41 2jqo n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jqo s GLU 75 N 0.00 2.29 -0.27 1.61 0.41 -1.02 -4.92 118.70 116.80 2jqo s GLU 75 Ca 0.00 -1.88 -0.03 0.00 -0.41 0.00 0.00 54.97 52.64 2jqo s GLU 75 Cb 0.00 -2.05 0.09 0.00 -1.78 0.00 0.00 34.13 30.39 2jqo s GLU 75 CO 0.00 -0.30 0.11 0.21 -0.49 0.00 0.00 175.26 174.79 2jqo s LYS 76 N -4.06 0.35 0.16 1.61 2.20 -1.26 -0.37 119.74 118.37 2jqo s LYS 76 Ca 0.38 -0.60 0.08 0.00 -0.36 0.00 0.00 55.97 55.47 2jqo s LYS 76 Cb 0.01 -1.54 -0.04 0.00 -1.51 0.00 0.00 37.83 34.75 2jqo s LYS 76 CO 0.22 -0.93 -0.18 0.96 -0.36 0.00 0.00 175.35 175.06 2jqo s ILE 77 N 1.96 1.77 -0.32 5.43 -4.36 -0.27 -0.21 121.20 125.19 2jqo s ILE 77 Ca 0.07 -1.88 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 2jqo s ILE 77 Cb -0.16 -1.80 0.07 0.00 1.25 0.00 0.00 42.46 41.82 2jqo s ILE 77 CO -0.28 -0.31 0.04 -0.75 0.24 0.00 0.00 174.94 173.88 2jqo s LYS 78 N -2.74 2.18 0.26 0.37 2.20 0.73 -0.18 119.74 122.55 2jqo s LYS 78 Ca 0.15 -1.48 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 2jqo s LYS 78 Cb -0.06 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 2jqo s LYS 78 CO 0.06 -0.76 0.45 0.14 -0.36 0.00 0.00 175.35 174.88 2jqo s VAL 79 N 1.16 5.17 -0.11 4.02 -7.23 0.14 0.41 120.40 123.96 2jqo s VAL 79 Ca -0.01 -0.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 2jqo s VAL 79 Cb -0.20 -3.79 0.01 0.00 0.56 0.00 0.00 36.38 32.96 2jqo s VAL 79 CO -0.03 -0.32 -0.19 0.26 -0.31 0.00 0.00 175.10 174.51 2jqo s TRP 80 N -2.03 2.25 0.09 2.82 0.51 0.29 -0.27 118.94 122.60 2jqo s TRP 80 Ca 0.39 -1.05 0.01 0.00 -2.12 0.00 0.00 56.10 53.33 2jqo s TRP 80 Cb -0.10 -1.57 -0.04 0.00 -0.81 0.00 0.00 33.47 30.95 2jqo s TRP 80 CO 0.31 -0.49 -0.05 -0.59 -0.51 0.00 0.00 176.95 175.61 2jqo s PHE 81 N 0.80 0.81 -0.12 -1.98 -0.12 -0.17 -2.99 117.98 114.21 2jqo s PHE 81 Ca -0.09 -0.96 0.20 0.00 -0.05 0.00 0.00 56.93 56.03 2jqo s PHE 81 Cb -0.16 -0.49 -0.23 0.00 -0.63 0.00 0.00 43.02 41.52 2jqo s PHE 81 CO 0.01 -0.21 0.56 0.72 -0.05 0.00 0.00 175.22 176.24 2jqo n HIS 82 N -0.01 0.35 -3.51 3.49 8.25 -1.26 -0.00 115.22 122.52 2jqo n HIS 82 Ca -0.12 0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 2jqo n HIS 82 Cb 0.61 -0.79 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 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 -3.18 0.02 0.17 1.59 -1.32 -1.26 -4.90 115.64 106.76 2jqo s THR 83 Ca -0.06 -0.20 0.10 0.00 -1.21 0.00 0.00 61.69 60.31 2jqo s THR 83 Cb 0.11 -1.04 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 2jqo s THR 83 CO 0.86 -0.11 -0.21 -0.13 -2.21 0.00 0.00 174.62 172.81 2jqo s ARG 84 N -3.39 1.36 -0.47 7.08 0.52 -1.26 -4.53 118.95 118.24 2jqo s ARG 84 Ca -0.00 -1.43 -0.12 0.00 -0.52 0.00 0.00 55.73 53.66 2jqo s ARG 84 Cb -0.00 -1.55 0.10 0.00 0.52 0.00 0.00 34.95 34.02 2jqo s ARG 84 CO -0.09 0.33 0.37 0.21 0.02 0.00 0.00 175.30 176.13 2jqo s LYS 85 N -2.64 2.74 -1.42 3.54 2.20 0.23 -4.99 119.74 119.40 2jqo s LYS 85 Ca 0.17 -1.58 -0.10 0.00 -0.36 0.00 0.00 55.97 54.10 2jqo s LYS 85 Cb -0.07 -4.02 -0.06 0.00 -1.51 0.00 0.00 37.83 32.17 2jqo s LYS 85 CO 0.08 -1.12 2.62 0.39 -0.36 0.00 0.00 175.35 176.96 2jqo n GLU 86 N 5.06 3.14 0.05 4.03 -0.58 -1.26 -1.40 120.64 129.67 2jqo n GLU 86 Ca -0.11 -2.11 -0.08 0.00 -0.42 0.00 0.00 57.16 54.45 2jqo n GLU 86 Cb 0.42 -2.82 -0.12 0.00 -0.57 0.00 0.00 31.44 28.34 2jqo n GLU 86 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2jqo h SER 87 N 5.57 0.01 -4.34 1.62 4.64 -1.93 -3.48 113.55 115.64 2jqo h SER 87 Ca 0.73 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 62.04 2jqo h SER 87 Cb 0.34 -0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.35 2jqo h SER 87 CO 1.75 1.01 -1.05 -3.20 -0.87 0.00 0.00 176.83 174.47 2jqo n ASN 88 N -3.31 -1.87 -4.77 4.97 2.85 -1.26 -4.87 115.26 107.01 2jqo n ASN 88 Ca -0.03 1.00 -0.40 0.00 -0.11 0.00 0.00 54.58 55.04 2jqo n ASN 88 Cb 0.96 -3.96 0.00 0.00 1.24 0.00 0.00 39.78 38.03 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 -0.82 3.91 0.28 1.20 0.04 -1.26 -5.09 135.00 133.25 2jqo s PRO 89 Ca -0.17 2.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 2jqo s PRO 89 Cb 0.01 -2.77 -0.12 0.00 0.04 0.00 0.00 34.50 31.66 2jqo s PRO 89 CO 0.46 -0.60 1.57 -2.30 0.04 0.00 0.00 177.00 176.17 2jqo n PRO 90 N 0.10 2.61 -4.72 0.56 -0.02 -1.25 -4.75 135.00 127.52 2jqo n PRO 90 Ca 0.04 0.93 -0.27 0.00 -2.02 0.00 0.00 63.50 62.18 2jqo n PRO 90 Cb 0.42 -2.69 -0.14 0.00 -0.02 0.00 0.00 33.50 31.06 2jqo n PRO 90 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2jqo s SER 91 N 0.49 2.65 -0.24 2.55 1.04 -0.49 -0.89 113.70 118.79 2jqo s SER 91 Ca 0.65 -0.53 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 2jqo s SER 91 Cb -0.52 -0.23 0.13 0.00 0.10 0.00 0.00 66.02 65.51 2jqo s SER 91 CO 0.48 0.19 0.38 0.00 0.98 0.00 0.00 173.24 175.27 2jqo s ALA 92 N -0.79 -1.09 -0.14 5.32 0.00 -0.78 0.74 121.76 125.02 2jqo s ALA 92 Ca 0.09 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 2jqo s ALA 92 Cb -0.09 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 2jqo s ALA 92 CO 0.02 -1.24 1.64 0.99 0.00 0.00 0.00 175.76 177.17 2jqo s THR 93 N 2.55 3.64 0.09 0.00 2.01 -1.26 -0.34 115.64 122.33 2jqo s THR 93 Ca 0.12 0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.88 2jqo s THR 93 Cb -0.15 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2jqo s THR 93 CO -0.16 -0.17 0.22 0.27 -0.69 0.00 0.00 174.62 174.09 2jqo s ILE 94 N 4.72 5.28 -0.06 1.82 -4.36 -0.03 -4.67 121.20 123.90 2jqo s ILE 94 Ca 0.73 -0.54 0.08 0.00 -0.26 0.00 0.00 60.65 60.66 2jqo s ILE 94 Cb -0.29 -3.62 -0.12 0.00 1.25 0.00 0.00 42.46 39.68 2jqo s ILE 94 CO 0.29 0.06 0.19 0.00 0.24 0.00 0.00 174.94 175.72 2jqo n GLN 95 N 0.01 0.81 -3.92 0.37 6.02 -1.16 -4.59 117.38 114.92 2jqo n GLN 95 Ca -0.06 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.77 2jqo n GLN 95 Cb 0.52 -1.14 -0.10 0.00 1.02 0.00 0.00 30.24 30.54 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 -2.44 0.46 -0.04 -1.09 1.02 -1.24 -4.94 119.74 111.48 2jqo s LYS 96 Ca -0.02 -0.55 -0.25 0.00 0.02 0.00 0.00 55.97 55.18 2jqo s LYS 96 Cb 0.05 0.18 0.05 0.00 -0.52 0.00 0.00 37.83 37.59 2jqo s LYS 96 CO 0.33 -0.10 0.54 1.52 -0.92 0.00 0.00 175.35 176.71 2jqo s TYR 97 N -1.70 -0.47 -0.17 3.18 1.13 -1.26 -0.54 117.35 117.51 2jqo s TYR 97 Ca -0.13 0.79 -0.01 0.00 -1.41 0.00 0.00 57.07 56.31 2jqo s TYR 97 Cb -0.07 0.29 -0.01 0.00 -1.10 0.00 0.00 41.96 41.07 2jqo s TYR 97 CO -0.01 -0.52 -0.11 -2.00 -2.51 0.00 0.00 175.55 170.40 2jqo s GLU 98 N -1.25 3.31 -0.29 -3.49 2.12 0.17 -4.95 118.70 114.31 2jqo s GLU 98 Ca -0.12 -0.69 -0.26 0.00 0.36 0.00 0.00 54.97 54.26 2jqo s GLU 98 Cb -0.02 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.62 2jqo s GLU 98 CO 0.08 -0.02 0.91 -1.17 -0.54 0.00 0.00 175.26 174.52 2jqo s LEU 99 N 0.94 4.04 0.00 2.70 2.96 -1.26 -0.19 118.68 127.87 2jqo s LEU 99 Ca -0.02 0.91 0.04 0.00 -0.22 0.00 0.00 54.13 54.84 2jqo s LEU 99 Cb -0.15 -3.29 0.04 0.00 0.50 0.00 0.00 46.19 43.30 2jqo s LEU 99 CO -0.01 -0.69 0.33 0.18 -1.32 0.00 0.00 176.35 174.84 2jqo n LEU 100 N 6.39 0.00 0.00 -0.68 4.77 0.71 -4.98 117.00 123.21 2jqo n LEU 100 Ca 0.07 -2.98 -0.07 0.00 -0.03 0.00 0.00 56.01 53.00 2jqo n LEU 100 Cb 0.47 0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 2jqo n LEU 100 CO 0.53 -0.57 0.32 -0.11 -1.33 0.00 0.00 177.39 176.23 2jqo n LEU 101 N 0.00 0.00 -4.88 2.23 7.94 -1.26 -4.23 117.00 116.79 2jqo n LEU 101 Ca -0.06 -1.81 -0.30 0.00 -1.11 0.00 0.00 56.01 52.74 2jqo n LEU 101 Cb 0.64 2.47 0.17 0.00 0.53 0.00 0.00 43.42 47.22 2jqo n LEU 101 CO 0.37 -0.56 0.83 -1.61 -1.11 0.00 0.00 177.39 175.30 2jqo s GLU 102 N -2.15 0.75 -0.08 1.96 0.41 -1.26 -4.93 118.70 113.39 2jqo s GLU 102 Ca 0.13 -0.23 0.04 0.00 -0.41 0.00 0.00 54.97 54.50 2jqo s GLU 102 Cb -0.03 -1.84 0.26 0.00 -1.78 0.00 0.00 34.13 30.74 2jqo s GLU 102 CO 0.09 -2.37 0.93 0.72 -0.49 0.00 0.00 175.26 174.14 2jqo n HIS 103 N -3.78 0.69 -4.18 1.61 8.25 -1.26 -4.78 115.22 111.77 2jqo n HIS 103 Ca 0.13 -0.29 -0.12 0.00 -0.26 0.00 0.00 57.72 57.18 2jqo n HIS 103 Cb 0.60 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.52 1.09 0.30 4.41 3.76 -1.26 -5.06 115.29 117.02 2jqo s HIS 104 Ca 0.17 -1.33 0.06 0.00 -0.15 0.00 0.00 55.06 53.82 2jqo s HIS 104 Cb 0.13 -0.51 0.49 0.00 1.11 0.00 0.00 32.58 33.81 2jqo s HIS 104 CO 0.05 -0.66 1.73 0.45 -0.85 0.00 0.00 174.74 175.47 2jqo h HIS 105 N 2.61 0.32 0.00 1.40 3.86 -1.91 -3.43 115.15 118.01 2jqo h HIS 105 Ca -0.35 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2jqo h HIS 105 Cb 1.25 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2jqo h HIS 105 CO 0.36 0.60 0.00 0.72 0.86 0.00 0.00 177.93 180.47 2jqo n HIS 106 N -4.08 0.00 0.04 2.45 -0.00 -1.26 -4.96 115.22 107.41 2jqo n HIS 106 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2jqo n HIS 106 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 2jqo n HIS 106 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jqo n HIS 107 N 0.00 -1.47 0.22 4.41 -0.00 -1.26 -4.67 115.22 112.44 2jqo n HIS 107 Ca 0.00 0.18 0.03 0.00 -0.00 0.00 0.00 57.72 57.93 2jqo n HIS 107 Cb 0.00 0.79 0.02 0.00 -0.00 0.00 0.00 29.99 30.80 2jqo n HIS 107 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92