#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqj s ILE 2 N 0.00 4.41 -0.19 1.12 1.09 -1.21 -5.01 121.20 121.40 1jqj s ILE 2 Ca 0.00 -0.24 -0.14 0.00 -1.10 0.00 0.00 60.65 59.17 1jqj s ILE 2 Cb 0.00 -3.12 -0.04 0.00 -1.06 0.00 0.00 42.46 38.24 1jqj s ILE 2 CO 0.00 0.26 0.30 -0.13 -0.10 0.00 0.00 174.94 175.27 1jqj s ARG 3 N 1.62 4.20 0.25 2.79 0.52 -1.26 -0.38 118.95 126.68 1jqj s ARG 3 Ca 0.06 0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.35 1jqj s ARG 3 Cb -0.16 -3.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 1jqj s ARG 3 CO 0.05 0.12 0.07 -1.17 0.02 0.00 0.00 175.30 174.39 1jqj s LEU 4 N 0.84 1.77 -0.02 2.53 2.96 0.58 -4.97 118.68 122.39 1jqj s LEU 4 Ca 0.16 -1.34 0.08 0.00 -0.22 0.00 0.00 54.13 52.80 1jqj s LEU 4 Cb -0.14 -0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.51 1jqj s LEU 4 CO 0.05 -0.69 -0.24 -0.31 -1.32 0.00 0.00 176.35 173.84 1jqj s TYR 5 N -3.69 2.19 0.18 5.38 4.12 -1.26 -1.90 117.35 122.36 1jqj s TYR 5 Ca 0.35 -0.41 0.09 0.00 0.02 0.00 0.00 57.07 57.12 1jqj s TYR 5 Cb 0.07 -1.40 0.63 0.00 -1.52 0.00 0.00 41.96 39.74 1jqj s TYR 5 CO 0.12 -0.03 0.81 -2.30 0.02 0.00 0.00 175.55 174.17 1jqj n PRO 6 N 2.45 -0.03 -0.97 -1.71 -0.02 -1.26 0.16 135.00 133.62 1jqj n PRO 6 Ca -0.16 0.72 -0.19 0.00 -2.02 0.00 0.00 63.50 61.86 1jqj n PRO 6 Cb 0.52 -1.27 0.04 0.00 -0.02 0.00 0.00 33.50 32.77 1jqj n PRO 6 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1jqj n GLU 7 N -4.26 1.93 0.00 -0.52 0.00 -1.26 -3.08 120.64 113.45 1jqj n GLU 7 Ca 0.18 -1.79 0.00 0.00 0.00 0.00 0.00 57.16 55.55 1jqj n GLU 7 Cb 0.61 -1.71 0.00 0.00 0.00 0.00 0.00 31.44 30.34 1jqj n GLU 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1jqj n GLN 8 N 0.22 2.36 0.11 3.44 6.02 0.43 -4.96 117.38 124.99 1jqj n GLN 8 Ca 0.34 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.27 1jqj n GLN 8 Cb 0.59 -0.20 -0.03 0.00 1.02 0.00 0.00 30.24 31.62 1jqj n GLN 8 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jqj h LEU 9 N 0.00 -0.43 -1.85 1.08 5.85 -1.43 -2.42 115.31 116.11 1jqj h LEU 9 Ca 0.00 0.03 0.55 0.00 0.84 0.00 0.00 57.88 59.30 1jqj h LEU 9 Cb 0.00 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 1jqj h LEU 9 CO 0.00 -0.23 1.31 0.54 -0.34 0.00 0.00 178.44 179.72 1jqj n ARG 10 N -3.28 -0.01 0.00 1.25 1.74 -1.26 -1.58 116.66 113.53 1jqj n ARG 10 Ca -0.04 1.12 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 1jqj n ARG 10 Cb 0.15 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 1jqj n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jqj n ALA 11 N -2.84 -0.12 0.26 7.54 0.00 -0.95 -2.53 120.51 121.87 1jqj n ALA 11 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1jqj n ALA 11 Cb 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.37 1jqj n ALA 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jqj n GLN 12 N -1.62 0.26 0.00 0.00 1.13 -0.61 0.94 117.38 117.48 1jqj n GLN 12 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1jqj n GLN 12 Cb 0.00 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.01 1jqj n GLN 12 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1jqj n LEU 13 N 0.80 0.00 -0.04 1.08 7.94 -0.70 -4.69 117.00 121.39 1jqj n LEU 13 Ca 0.00 -0.06 -0.09 0.00 -1.11 0.00 0.00 56.01 54.75 1jqj n LEU 13 Cb 0.12 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.93 1jqj n LEU 13 CO 0.00 0.00 -0.65 0.59 -1.11 0.00 0.00 177.39 176.22 1jqj n ASN 14 N -0.57 0.70 0.16 1.96 4.13 0.27 -3.92 115.26 117.99 1jqj n ASN 14 Ca 0.00 0.34 0.02 0.00 1.68 0.00 0.00 54.58 56.61 1jqj n ASN 14 Cb 0.00 0.14 0.34 0.00 -1.54 0.00 0.00 39.78 38.73 1jqj n ASN 14 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1jqj h GLU 15 N 0.00 0.07 0.00 3.52 5.08 -1.80 -3.46 114.58 117.99 1jqj h GLU 15 Ca -0.34 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1jqj h GLU 15 Cb 2.06 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1jqj h GLU 15 CO 0.07 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 178.90 1jqj n GLY 16 N -0.49 2.99 3.68 -3.84 0.00 -1.25 -5.13 105.19 101.16 1jqj n GLY 16 Ca -0.02 0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1jqj n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jqj n LEU 17 N 0.00 3.31 0.00 0.99 4.32 -1.26 -4.74 117.00 119.62 1jqj n LEU 17 Ca 0.00 1.14 0.00 0.00 -0.02 0.00 0.00 56.01 57.13 1jqj n LEU 17 Cb 0.00 -1.45 0.00 0.00 -1.62 0.00 0.00 43.42 40.35 1jqj n LEU 17 CO 0.00 -0.38 0.00 -1.14 -1.22 0.00 0.00 177.39 174.65 1jqj n ARG 18 N 2.12 0.85 -0.03 3.23 3.00 -1.26 -5.02 116.66 119.55 1jqj n ARG 18 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1jqj n ARG 18 Cb 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.65 1jqj n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jqj n ALA 19 N -3.00 2.06 -3.23 5.13 0.00 -1.23 -4.94 120.51 115.31 1jqj n ALA 19 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.50 1jqj n ALA 19 Cb 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 1jqj n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqj s ALA 20 N -2.96 -0.81 -0.05 0.00 0.00 -1.25 -2.55 121.76 114.13 1jqj s ALA 20 Ca -0.07 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1jqj s ALA 20 Cb 0.09 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1jqj s ALA 20 CO 0.85 -0.28 -0.14 0.71 0.00 0.00 0.00 175.76 176.90 1jqj s TYR 21 N -1.43 1.47 -0.33 0.00 1.51 0.19 -1.76 117.35 117.01 1jqj s TYR 21 Ca -0.13 -0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1jqj s TYR 21 Cb -0.05 -1.03 0.06 0.00 -0.11 0.00 0.00 41.96 40.84 1jqj s TYR 21 CO 0.04 -0.20 0.05 -0.51 -1.11 0.00 0.00 175.55 173.82 1jqj s LEU 22 N 0.32 4.23 -0.58 -1.29 2.01 -0.11 -0.20 118.68 123.07 1jqj s LEU 22 Ca -0.08 -1.44 -0.17 0.00 0.01 0.00 0.00 54.13 52.45 1jqj s LEU 22 Cb -0.13 -1.75 0.13 0.00 0.01 0.00 0.00 46.19 44.46 1jqj s LEU 22 CO 0.03 -0.33 0.58 -0.76 1.01 0.00 0.00 176.35 176.88 1jqj s LEU 23 N 1.23 5.98 -0.21 1.79 1.43 0.12 -0.00 118.68 129.02 1jqj s LEU 23 Ca -0.02 -1.74 -0.04 0.00 -1.03 0.00 0.00 54.13 51.30 1jqj s LEU 23 Cb -0.20 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1jqj s LEU 23 CO -0.02 -0.92 -0.04 -0.76 0.23 0.00 0.00 176.35 174.85 1jqj s LEU 24 N 1.84 2.96 0.00 1.79 2.01 -0.23 -1.20 118.68 125.85 1jqj s LEU 24 Ca 0.07 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 53.85 1jqj s LEU 24 Cb -0.27 -1.75 0.00 0.00 0.01 0.00 0.00 46.19 44.18 1jqj s LEU 24 CO 0.03 0.00 0.00 0.61 1.01 0.00 0.00 176.35 178.00 1jqj n GLY 25 N 4.64 0.95 0.03 -3.19 0.00 0.29 -1.36 105.19 106.55 1jqj n GLY 25 Ca -0.18 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 44.97 1jqj n GLY 25 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jqj n ASN 26 N 0.00 0.55 -4.66 1.61 0.23 -1.12 -3.96 115.26 107.91 1jqj n ASN 26 Ca 0.00 -0.24 -0.42 0.00 -0.53 0.00 0.00 54.58 53.39 1jqj n ASN 26 Cb 0.00 1.05 -0.04 0.00 -2.08 0.00 0.00 39.78 38.72 1jqj n ASN 26 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jqj s ASP 27 N -4.01 6.95 0.28 0.53 -1.08 -1.02 -4.84 116.67 113.48 1jqj s ASP 27 Ca 0.02 1.18 0.10 0.00 -0.52 0.00 0.00 52.55 53.32 1jqj s ASP 27 Cb 0.14 -2.47 0.38 0.00 -1.46 0.00 0.00 42.92 39.52 1jqj s ASP 27 CO 0.83 -0.48 1.63 1.55 0.52 0.00 0.00 175.17 179.22 1jqj h PRO 28 N 7.45 0.03 0.39 4.34 0.13 -1.90 -2.59 132.00 139.85 1jqj h PRO 28 Ca -0.26 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1jqj h PRO 28 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jqj h PRO 28 CO 0.87 0.61 -0.19 1.25 -0.23 0.00 0.00 178.00 180.31 1jqj h LEU 29 N 0.02 -0.45 -0.96 1.56 5.85 -1.97 -2.55 115.31 116.81 1jqj h LEU 29 Ca -0.01 -0.08 0.19 0.00 0.84 0.00 0.00 57.88 58.82 1jqj h LEU 29 Cb 1.05 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 42.08 1jqj h LEU 29 CO 0.08 -0.01 0.55 -0.07 -0.34 0.00 0.00 178.44 178.65 1jqj h LEU 30 N -1.06 0.67 -0.03 2.25 3.38 -1.92 0.36 115.31 118.96 1jqj h LEU 30 Ca -0.05 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jqj h LEU 30 Cb 0.50 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1jqj h LEU 30 CO 0.09 0.21 0.01 -0.07 0.09 0.00 0.00 178.44 178.78 1jqj h LEU 31 N 0.67 0.04 -1.12 1.67 3.38 -1.49 -1.55 115.31 116.91 1jqj h LEU 31 Ca 0.56 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 1jqj h LEU 31 Cb 0.90 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1jqj h LEU 31 CO -0.40 0.15 0.40 -0.61 0.09 0.00 0.00 178.44 178.07 1jqj h GLN 32 N -0.08 1.02 0.36 1.13 5.75 -0.71 -1.10 115.11 121.47 1jqj h GLN 32 Ca 0.01 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1jqj h GLN 32 Cb 0.12 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.47 1jqj h GLN 32 CO -0.00 0.74 -0.17 0.93 -2.65 0.00 0.00 178.83 177.68 1jqj h GLU 33 N 1.02 -0.46 -0.78 1.69 5.08 -0.16 -2.55 114.58 118.42 1jqj h GLU 33 Ca 0.26 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.73 1jqj h GLU 33 Cb 0.02 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1jqj h GLU 33 CO -0.04 -0.16 0.44 0.77 -1.00 0.00 0.00 179.01 179.02 1jqj h SER 34 N -0.78 0.64 0.61 1.42 0.02 -1.16 0.34 113.55 114.64 1jqj h SER 34 Ca -0.05 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1jqj h SER 34 Cb 0.52 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1jqj h SER 34 CO 0.08 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.15 1jqj n GLN 35 N -4.75 0.16 -0.05 3.45 10.64 -0.43 -1.83 117.38 124.57 1jqj n GLN 35 Ca 0.12 0.42 -0.20 0.00 -1.83 0.00 0.00 57.00 55.51 1jqj n GLN 35 Cb 0.24 -1.82 -0.13 0.00 -0.86 0.00 0.00 30.24 27.67 1jqj n GLN 35 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1jqj h ASP 36 N 0.00 0.17 -0.72 2.61 3.32 -0.13 -2.39 116.42 119.28 1jqj h ASP 36 Ca 0.00 -0.77 0.15 0.00 0.02 0.00 0.00 57.03 56.43 1jqj h ASP 36 Cb 0.31 -0.06 -0.13 0.00 0.22 0.00 0.00 39.33 39.67 1jqj h ASP 36 CO 0.00 1.45 -0.13 0.00 -1.72 0.00 0.00 179.24 178.84 1jqj h ALA 37 N -0.19 0.55 0.37 3.45 0.00 -0.13 0.34 119.26 123.64 1jqj h ALA 37 Ca -0.26 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jqj h ALA 37 Cb 1.45 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1jqj h ALA 37 CO -0.05 -0.42 -0.18 0.28 0.00 0.00 0.00 179.25 178.89 1jqj h VAL 38 N 0.02 0.00 -0.02 0.00 2.07 -1.45 -1.24 116.25 115.64 1jqj h VAL 38 Ca 0.36 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.88 1jqj h VAL 38 Cb 0.57 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1jqj h VAL 38 CO -0.71 0.00 0.15 0.03 0.02 0.00 0.00 177.57 177.06 1jqj h ARG 39 N -0.50 0.00 0.00 1.57 3.08 -1.00 0.29 114.38 117.83 1jqj h ARG 39 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jqj h ARG 39 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1jqj h ARG 39 CO 0.08 0.00 0.00 0.94 -1.07 0.00 0.00 179.97 179.92 1jqj n GLN 40 N -3.08 0.00 -0.29 0.04 7.27 0.12 -0.07 117.38 121.36 1jqj n GLN 40 Ca -0.02 0.47 0.10 0.00 0.07 0.00 0.00 57.00 57.63 1jqj n GLN 40 Cb 0.22 -1.14 0.24 0.00 2.41 0.00 0.00 30.24 31.97 1jqj n GLN 40 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1jqj h VAL 41 N 0.00 0.28 0.77 1.69 2.07 -0.82 -0.59 116.25 119.66 1jqj h VAL 41 Ca 0.00 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1jqj h VAL 41 Cb 0.00 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1jqj h VAL 41 CO 0.00 0.03 -0.47 0.00 0.02 0.00 0.00 177.57 177.14 1jqj h ALA 42 N 1.79 -1.27 -1.08 1.67 0.00 -0.49 -2.32 119.26 117.56 1jqj h ALA 42 Ca 0.51 -0.24 0.31 0.00 0.00 0.00 0.00 54.91 55.49 1jqj h ALA 42 Cb 1.00 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1jqj h ALA 42 CO -0.70 -1.22 1.05 0.00 0.00 0.00 0.00 179.25 178.38 1jqj h ALA 43 N -1.22 2.96 -0.64 0.00 0.00 0.11 0.37 119.26 120.84 1jqj h ALA 43 Ca -0.10 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.27 1jqj h ALA 43 Cb 0.93 0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.61 1jqj h ALA 43 CO 0.11 -1.61 0.56 0.00 0.00 0.00 0.00 179.25 178.31 1jqj n ALA 44 N -2.43 5.98 -1.85 0.00 0.00 -0.87 -3.63 120.51 117.72 1jqj n ALA 44 Ca 0.24 -2.75 -0.04 0.00 0.00 0.00 0.00 53.44 50.88 1jqj n ALA 44 Cb 1.39 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 1jqj n ALA 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jqj n GLN 45 N 0.24 0.00 0.00 0.00 6.02 0.13 -4.99 117.38 118.78 1jqj n GLN 45 Ca 0.45 -0.63 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1jqj n GLN 45 Cb 0.54 0.44 0.00 0.00 1.02 0.00 0.00 30.24 32.24 1jqj n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jqj n GLY 46 N 0.00 2.07 3.51 1.08 0.00 -1.24 -4.93 105.19 105.68 1jqj n GLY 46 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1jqj n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jqj n PHE 47 N -2.00 3.72 1.01 1.61 3.01 -1.24 -1.49 117.46 122.07 1jqj n PHE 47 Ca 0.00 -2.26 0.11 0.00 1.01 0.00 0.00 57.45 56.31 1jqj n PHE 47 Cb 0.00 -2.59 0.05 0.00 -0.01 0.00 0.00 39.48 36.94 1jqj n PHE 47 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1jqj n GLU 48 N 8.15 0.06 -4.17 -1.08 0.28 -1.11 -3.90 120.64 118.87 1jqj n GLU 48 Ca 0.48 -0.05 -0.35 0.00 -0.16 0.00 0.00 57.16 57.08 1jqj n GLU 48 Cb 0.46 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.73 1jqj n GLU 48 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1jqj s GLU 49 N -2.97 3.52 0.04 3.44 2.12 -1.06 -5.04 118.70 118.76 1jqj s GLU 49 Ca 0.10 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.09 1jqj s GLU 49 Cb 0.17 -3.03 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 1jqj s GLU 49 CO 0.78 0.49 -0.07 -1.01 -0.54 0.00 0.00 175.26 174.91 1jqj s HIS 50 N -0.27 0.63 -0.16 5.30 3.76 -1.26 0.22 115.29 123.52 1jqj s HIS 50 Ca 0.07 -0.53 -0.14 0.00 -0.15 0.00 0.00 55.06 54.31 1jqj s HIS 50 Cb -0.12 -0.38 0.04 0.00 1.11 0.00 0.00 32.58 33.23 1jqj s HIS 50 CO 0.02 -0.10 0.41 -1.01 -0.85 0.00 0.00 174.74 173.21 1jqj s HIS 51 N -1.53 -0.46 -0.03 1.40 3.76 -0.85 -4.94 115.29 112.64 1jqj s HIS 51 Ca -0.09 1.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.97 1jqj s HIS 51 Cb -0.09 0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.75 1jqj s HIS 51 CO -0.00 -0.22 -0.16 0.99 -0.85 0.00 0.00 174.74 174.50 1jqj s THR 52 N 0.27 1.32 0.08 1.30 2.01 -1.26 -0.23 115.64 119.12 1jqj s THR 52 Ca -0.00 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.37 1jqj s THR 52 Cb -0.03 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 1jqj s THR 52 CO 0.00 0.38 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.82 1jqj s PHE 53 N -0.11 1.14 -0.20 4.92 0.40 -0.32 -4.97 117.98 118.83 1jqj s PHE 53 Ca 0.00 -0.52 -0.07 0.00 -0.60 0.00 0.00 56.93 55.74 1jqj s PHE 53 Cb -0.09 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.77 1jqj s PHE 53 CO 0.01 0.04 0.06 -1.12 0.70 0.00 0.00 175.22 174.91 1jqj s SER 54 N -1.98 5.46 -0.45 1.36 0.01 -1.26 -0.04 113.70 116.79 1jqj s SER 54 Ca 0.00 -0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.05 1jqj s SER 54 Cb -0.08 -1.94 0.03 0.00 0.21 0.00 0.00 66.02 64.24 1jqj s SER 54 CO 0.02 0.12 0.62 -0.63 0.41 0.00 0.00 173.24 173.77 1jqj s ILE 55 N 0.71 4.86 0.00 1.44 -1.09 0.29 -4.52 121.20 122.89 1jqj s ILE 55 Ca 0.03 -0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 1jqj s ILE 55 Cb -0.13 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 1jqj s ILE 55 CO 0.02 -0.62 0.00 -0.90 -1.23 0.00 0.00 174.94 172.21 1jqj n ASP 56 N 6.19 0.00 -0.95 3.58 3.85 -1.26 -2.26 116.55 125.70 1jqj n ASP 56 Ca -0.03 -0.33 -0.01 0.00 -0.71 0.00 0.00 54.79 53.72 1jqj n ASP 56 Cb 0.47 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.32 1jqj n ASP 56 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 1jqj n PRO 57 N 0.00 1.67 0.00 0.11 -0.04 -1.26 -3.52 135.00 131.96 1jqj n PRO 57 Ca 0.00 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 1jqj n PRO 57 Cb 0.00 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1jqj n PRO 57 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jqj n ASN 58 N 0.14 0.13 -4.42 3.54 3.02 -1.26 -5.06 115.26 111.35 1jqj n ASN 58 Ca 0.08 -0.47 -0.55 0.00 -0.03 0.00 0.00 54.58 53.61 1jqj n ASN 58 Cb 0.55 0.25 -0.09 0.00 -0.61 0.00 0.00 39.78 39.88 1jqj n ASN 58 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1jqj n THR 59 N -0.25 0.13 -1.15 3.41 -1.04 -1.23 -4.77 114.28 109.39 1jqj n THR 59 Ca 0.00 -0.14 -0.35 0.00 -2.04 0.00 0.00 64.05 61.53 1jqj n THR 59 Cb 0.05 -1.17 -0.03 0.00 -1.82 0.00 0.00 70.33 67.37 1jqj n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1jqj n ASP 60 N 8.36 5.18 -0.58 8.00 4.64 -1.26 -4.74 116.55 136.14 1jqj n ASP 60 Ca 0.44 -2.56 0.45 0.00 -1.38 0.00 0.00 54.79 51.75 1jqj n ASP 60 Cb 0.12 -1.32 0.70 0.00 -1.04 0.00 0.00 41.12 39.57 1jqj n ASP 60 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 1jqj n TRP 61 N 5.10 0.00 0.06 -0.67 7.02 -1.26 -1.08 117.44 126.61 1jqj n TRP 61 Ca 0.56 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.99 1jqj n TRP 61 Cb 0.26 -0.42 -0.03 0.00 -2.42 0.00 0.00 31.31 28.71 1jqj n TRP 61 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1jqj h ASN 62 N 0.00 -0.40 -0.97 -0.99 2.35 -2.00 -0.87 115.58 112.71 1jqj h ASN 62 Ca 0.80 0.04 0.24 0.00 -0.55 0.00 0.00 56.30 56.83 1jqj h ASN 62 Cb 3.32 0.14 -0.18 0.00 0.05 0.00 0.00 38.32 41.65 1jqj h ASN 62 CO -0.01 -0.17 -0.05 0.00 -1.65 0.00 0.00 177.43 175.55 1jqj h ALA 63 N -1.42 0.99 -0.12 -0.83 0.00 -1.52 0.32 119.26 116.68 1jqj h ALA 63 Ca -0.01 0.35 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1jqj h ALA 63 Cb 0.22 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1jqj h ALA 63 CO -0.04 -0.51 -0.07 0.82 0.00 0.00 0.00 179.25 179.45 1jqj h ILE 64 N 0.01 0.77 0.41 0.00 2.04 -1.47 0.25 117.51 119.53 1jqj h ILE 64 Ca 0.55 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.39 1jqj h ILE 64 Cb 1.05 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1jqj h ILE 64 CO -0.93 0.00 -0.20 -0.26 0.00 0.00 0.00 178.15 176.76 1jqj h PHE 65 N -0.07 -0.52 -1.02 1.37 0.05 0.87 -2.55 116.94 115.07 1jqj h PHE 65 Ca 0.07 -0.01 0.25 0.00 3.82 0.00 0.00 57.97 62.10 1jqj h PHE 65 Cb 0.18 0.17 -0.11 0.00 2.00 0.00 0.00 35.95 38.19 1jqj h PHE 65 CO -0.20 -0.23 0.63 1.03 -0.18 0.00 0.00 178.31 179.36 1jqj h SER 66 N -0.73 0.58 0.02 2.17 0.87 -0.41 0.67 113.55 116.72 1jqj h SER 66 Ca -0.06 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1jqj h SER 66 Cb 0.51 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1jqj h SER 66 CO 0.09 0.11 -0.14 0.25 -0.53 0.00 0.00 176.83 176.62 1jqj h LEU 67 N 0.51 -0.39 -0.71 2.23 7.12 -0.65 -2.63 115.31 120.79 1jqj h LEU 67 Ca 0.62 0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.75 1jqj h LEU 67 Cb 1.33 0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 41.56 1jqj h LEU 67 CO -0.38 -0.20 0.39 0.00 -0.13 0.00 0.00 178.44 178.12 1jqj n GLN 69 N -4.79 0.74 -2.75 0.00 1.13 -0.95 -4.85 117.38 105.90 1jqj n GLN 69 Ca 0.10 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.85 1jqj n GLN 69 Cb 0.21 -1.30 -0.04 0.00 0.11 0.00 0.00 30.24 29.23 1jqj n GLN 69 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jqj s ALA 70 N -2.00 3.25 -0.10 -1.58 0.00 -0.40 -5.08 121.76 115.85 1jqj s ALA 70 Ca 0.21 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.17 1jqj s ALA 70 Cb 0.10 -2.85 -0.00 0.00 0.00 0.00 0.00 23.12 20.36 1jqj s ALA 70 CO 0.16 -0.03 -0.22 -1.64 0.00 0.00 0.00 175.76 174.03 1jqj s MET 71 N -3.78 3.01 0.33 0.00 -1.94 -1.26 -5.07 119.30 110.59 1jqj s MET 71 Ca 0.54 -0.85 -0.28 0.00 -1.71 0.00 0.00 55.69 53.40 1jqj s MET 71 Cb -0.10 -2.33 -0.09 0.00 2.01 0.00 0.00 34.83 34.31 1jqj s MET 71 CO 0.29 0.23 1.17 0.45 -0.01 0.00 0.00 175.02 177.15 1jqj s SER 72 N 0.24 6.90 0.16 3.03 0.15 -1.26 -4.93 113.70 117.99 1jqj s SER 72 Ca -0.15 2.39 0.26 0.00 0.70 0.00 0.00 55.95 59.16 1jqj s SER 72 Cb -0.17 -2.63 0.92 0.00 -1.71 0.00 0.00 66.02 62.43 1jqj s SER 72 CO 0.07 -0.41 1.79 0.18 1.20 0.00 0.00 173.24 176.07 1jqj n LEU 73 N 0.71 0.59 -0.92 3.45 4.77 -1.26 -2.80 117.00 121.54 1jqj n LEU 73 Ca 0.01 0.57 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 1jqj n LEU 73 Cb 0.45 -0.40 0.16 0.00 -2.33 0.00 0.00 43.42 41.29 1jqj n LEU 73 CO 0.54 -0.19 0.28 0.49 -1.33 0.00 0.00 177.39 177.18 1jqj n PHE 74 N -2.06 0.18 -1.06 -1.77 3.01 -1.26 -4.97 117.46 109.52 1jqj n PHE 74 Ca 0.05 -1.34 -0.02 0.00 1.01 0.00 0.00 57.45 57.16 1jqj n PHE 74 Cb 0.38 -0.23 -0.01 0.00 -0.01 0.00 0.00 39.48 39.61 1jqj n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jqj n ALA 75 N -0.74 -0.04 -2.58 4.37 0.00 -1.12 -4.88 120.51 115.53 1jqj n ALA 75 Ca 0.17 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1jqj n ALA 75 Cb 0.81 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 1jqj n ALA 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jqj s SER 76 N -1.15 7.38 1.08 0.00 1.04 -1.26 -4.95 113.70 115.85 1jqj s SER 76 Ca 0.00 1.72 -0.13 0.00 0.48 0.00 0.00 55.95 58.02 1jqj s SER 76 Cb 0.00 -2.58 0.24 0.00 0.10 0.00 0.00 66.02 63.78 1jqj s SER 76 CO 0.00 -0.23 1.07 -0.13 0.98 0.00 0.00 173.24 174.93 1jqj s ARG 77 N 0.76 -0.25 0.04 4.02 0.52 -0.55 -4.61 118.95 118.87 1jqj s ARG 77 Ca 0.51 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.29 1jqj s ARG 77 Cb -0.22 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 1jqj s ARG 77 CO 0.29 -3.20 -0.04 1.14 0.02 0.00 0.00 175.30 173.50 1jqj s GLN 78 N -4.81 0.50 0.07 3.54 -2.07 -0.95 -2.55 119.66 113.39 1jqj s GLN 78 Ca 0.67 -0.90 0.05 0.00 -1.82 0.00 0.00 55.36 53.35 1jqj s GLN 78 Cb -0.21 0.03 -0.04 0.00 -1.09 0.00 0.00 33.01 31.71 1jqj s GLN 78 CO 0.60 -0.05 -0.03 0.99 -1.32 0.00 0.00 175.29 175.48 1jqj s THR 79 N -2.42 3.82 -0.14 3.63 2.01 0.13 -1.42 115.64 121.25 1jqj s THR 79 Ca -0.05 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 1jqj s THR 79 Cb -0.03 -2.77 0.05 0.00 0.01 0.00 0.00 72.50 69.76 1jqj s THR 79 CO -0.04 0.20 0.03 -0.22 -0.69 0.00 0.00 174.62 173.90 1jqj s LEU 80 N -2.02 0.86 -0.18 4.42 2.96 -0.99 -2.01 118.68 121.71 1jqj s LEU 80 Ca 0.22 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1jqj s LEU 80 Cb -0.11 -0.49 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 1jqj s LEU 80 CO 0.14 -0.27 0.10 -0.22 -1.32 0.00 0.00 176.35 174.78 1jqj s LEU 81 N 1.93 4.04 -0.14 -0.68 2.96 0.68 -0.83 118.68 126.64 1jqj s LEU 81 Ca 0.02 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1jqj s LEU 81 Cb -0.15 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.52 1jqj s LEU 81 CO -0.07 0.21 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.22 1jqj s LEU 82 N 0.18 2.30 -0.53 -0.68 1.02 0.12 -1.18 118.68 119.90 1jqj s LEU 82 Ca 0.07 -0.53 -0.16 0.00 0.02 0.00 0.00 54.13 53.52 1jqj s LEU 82 Cb -0.12 -1.50 0.11 0.00 0.02 0.00 0.00 46.19 44.70 1jqj s LEU 82 CO -0.00 0.09 0.52 -0.76 0.02 0.00 0.00 176.35 176.21 1jqj s LEU 83 N 0.78 5.91 0.75 1.79 1.43 0.95 -1.08 118.68 129.21 1jqj s LEU 83 Ca -0.07 -1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 51.28 1jqj s LEU 83 Cb -0.16 -2.23 0.05 0.00 0.03 0.00 0.00 46.19 43.88 1jqj s LEU 83 CO -0.00 -0.86 1.18 -0.76 0.23 0.00 0.00 176.35 176.14 1jqj s LEU 84 N 1.82 3.25 0.85 1.79 1.43 -0.85 0.10 118.68 127.07 1jqj s LEU 84 Ca 0.05 2.27 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 1jqj s LEU 84 Cb -0.28 -4.58 0.10 0.00 0.03 0.00 0.00 46.19 41.47 1jqj s LEU 84 CO 0.05 -2.29 1.09 -2.16 0.23 0.00 0.00 176.35 173.27 1jqj s PRO 85 N -4.08 1.60 0.21 1.29 0.04 -0.96 -4.74 135.00 128.36 1jqj s PRO 85 Ca 0.72 0.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.55 1jqj s PRO 85 Cb -0.27 -1.84 0.22 0.00 0.04 0.00 0.00 34.50 32.66 1jqj s PRO 85 CO 0.47 -2.03 1.60 0.93 0.04 0.00 0.00 177.00 178.01 1jqj h GLU 86 N -1.40 -0.06 0.30 4.56 3.07 -1.94 -2.95 114.58 116.15 1jqj h GLU 86 Ca -0.47 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.38 1jqj h GLU 86 Cb 1.27 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1jqj h GLU 86 CO 0.53 -0.04 -0.14 -2.95 -1.40 0.00 0.00 179.01 175.01 1jqj h ASN 87 N -0.06 -0.34 -1.35 1.42 -1.07 -2.00 -3.44 115.58 108.74 1jqj h ASN 87 Ca 0.30 -0.16 0.00 0.00 0.07 0.00 0.00 56.30 56.51 1jqj h ASN 87 Cb 0.53 0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.87 1jqj h ASN 87 CO -0.71 -0.01 0.00 0.61 0.07 0.00 0.00 177.43 177.38 1jqj n GLY 88 N -0.47 -0.86 3.65 9.14 0.00 -1.12 -4.71 105.19 110.82 1jqj n GLY 88 Ca -0.10 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1jqj n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jqj s PRO 89 N -1.91 4.05 1.09 1.61 0.04 -1.26 -4.46 135.00 134.16 1jqj s PRO 89 Ca 0.00 2.45 -0.18 0.00 0.04 0.00 0.00 61.00 63.31 1jqj s PRO 89 Cb 0.00 -4.15 0.28 0.00 0.04 0.00 0.00 34.50 30.67 1jqj s PRO 89 CO 0.00 -1.05 0.76 -1.71 0.04 0.00 0.00 177.00 175.04 1jqj n ASN 90 N 7.86 -2.98 0.09 6.66 4.05 -1.26 -4.76 115.26 124.92 1jqj n ASN 90 Ca 0.20 -0.83 -0.16 0.00 0.45 0.00 0.00 54.58 54.24 1jqj n ASN 90 Cb 0.42 -0.79 -0.11 0.00 1.23 0.00 0.00 39.78 40.53 1jqj n ASN 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jqj h ALA 91 N -3.02 0.16 0.15 5.20 0.00 -2.00 -2.52 119.26 117.23 1jqj h ALA 91 Ca -0.32 -0.81 -0.29 0.00 0.00 0.00 0.00 54.91 53.49 1jqj h ALA 91 Cb 1.03 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.86 1jqj h ALA 91 CO 0.20 0.87 -1.27 0.00 0.00 0.00 0.00 179.25 179.04 1jqj h ALA 92 N 0.58 0.04 -1.00 0.00 0.00 -2.01 -3.25 119.26 113.61 1jqj h ALA 92 Ca -0.13 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 53.99 1jqj h ALA 92 Cb 1.84 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 1jqj h ALA 92 CO 0.20 0.81 0.66 0.82 0.00 0.00 0.00 179.25 181.74 1jqj h ILE 93 N 0.16 1.17 -0.54 0.00 1.08 -1.91 0.18 117.51 117.66 1jqj h ILE 93 Ca -0.17 -0.43 0.16 0.00 -0.39 0.00 0.00 64.86 64.02 1jqj h ILE 93 Cb 1.96 -0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1jqj h ILE 93 CO 0.23 0.23 0.40 0.78 -0.69 0.00 0.00 178.15 179.10 1jqj h ASN 94 N 1.27 0.00 0.17 1.72 2.35 -1.48 -1.00 115.58 118.60 1jqj h ASN 94 Ca 0.40 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1jqj h ASN 94 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1jqj h ASN 94 CO -0.12 0.00 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.25 1jqj h GLU 95 N 0.00 -0.21 -0.77 0.81 3.07 -1.07 -2.71 114.58 113.69 1jqj h GLU 95 Ca 0.26 0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.31 1jqj h GLU 95 Cb 1.05 0.05 -0.12 0.00 -0.84 0.00 0.00 28.75 28.89 1jqj h GLU 95 CO -0.00 -0.14 0.15 1.96 -1.40 0.00 0.00 179.01 179.58 1jqj h GLN 96 N -0.37 0.21 -0.21 2.33 1.08 -1.36 0.90 115.11 117.69 1jqj h GLN 96 Ca -0.02 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1jqj h GLN 96 Cb 0.17 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 1jqj h GLN 96 CO 0.04 0.14 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.90 1jqj h LEU 97 N 0.22 -0.31 -0.32 1.46 4.07 -1.30 -1.23 115.31 117.91 1jqj h LEU 97 Ca 0.44 0.08 0.07 0.00 0.08 0.00 0.00 57.88 58.55 1jqj h LEU 97 Cb 0.80 0.18 -0.08 0.00 1.08 0.00 0.00 40.66 42.63 1jqj h LEU 97 CO -0.57 -0.12 -0.29 0.25 -1.08 0.00 0.00 178.44 176.62 1jqj h LEU 98 N -0.06 -0.96 -0.40 1.67 7.12 -0.51 0.41 115.31 122.57 1jqj h LEU 98 Ca 0.11 0.17 0.08 0.00 0.13 0.00 0.00 57.88 58.37 1jqj h LEU 98 Cb 0.23 0.45 -0.09 0.00 -0.53 0.00 0.00 40.66 40.72 1jqj h LEU 98 CO -0.25 -0.31 -0.24 0.74 -0.13 0.00 0.00 178.44 178.25 1jqj h THR 99 N -0.27 0.34 -0.78 1.05 2.02 -0.66 -2.29 112.91 112.33 1jqj h THR 99 Ca 0.15 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 1jqj h THR 99 Cb 0.51 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1jqj h THR 99 CO -0.47 0.00 0.31 0.25 0.37 0.00 0.00 175.52 175.98 1jqj h LEU 100 N -0.17 1.08 0.00 2.58 6.46 -0.02 -1.34 115.31 123.90 1jqj h LEU 100 Ca 0.19 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1jqj h LEU 100 Cb 0.47 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1jqj h LEU 100 CO -0.51 0.95 0.00 0.35 -0.62 0.00 0.00 178.44 178.62 1jqj n THR 101 N -4.28 0.40 0.07 1.05 -2.24 0.13 0.06 114.28 109.48 1jqj n THR 101 Ca 0.07 0.10 0.07 0.00 -2.27 0.00 0.00 64.05 62.02 1jqj n THR 101 Cb 0.19 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.26 1jqj n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jqj n GLY 102 N -0.91 -0.56 0.52 3.38 0.00 -0.52 -4.32 105.19 102.79 1jqj n GLY 102 Ca 0.02 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.85 1jqj n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jqj n LEU 103 N -1.88 1.69 -4.56 0.99 4.77 0.11 -4.81 117.00 113.30 1jqj n LEU 103 Ca -0.02 -0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 55.19 1jqj n LEU 103 Cb 0.33 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1jqj n LEU 103 CO 0.28 0.29 1.30 -0.76 -1.33 0.00 0.00 177.39 177.16 1jqj s LEU 104 N -2.09 2.98 0.00 2.23 1.43 -0.94 -4.86 118.68 117.44 1jqj s LEU 104 Ca 0.34 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1jqj s LEU 104 Cb 0.20 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1jqj s LEU 104 CO 0.36 -3.34 0.00 0.00 0.23 0.00 0.00 176.35 173.61 1jqj n HIS 105 N 16.08 0.00 -0.09 0.29 1.44 -1.26 -5.05 115.22 126.62 1jqj n HIS 105 Ca 0.43 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.95 1jqj n HIS 105 Cb 0.46 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.50 1jqj n HIS 105 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1jqj n ASP 106 N 0.00 1.52 -2.23 4.39 -0.08 -1.26 -4.52 116.55 114.36 1jqj n ASP 106 Ca 0.00 0.17 -0.16 0.00 -1.51 0.00 0.00 54.79 53.29 1jqj n ASP 106 Cb 0.00 -0.50 -0.14 0.00 2.34 0.00 0.00 41.12 42.82 1jqj n ASP 106 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1jqj n ASP 107 N -3.69 5.63 -3.17 1.67 8.00 -1.26 -4.47 116.55 119.26 1jqj n ASP 107 Ca -0.35 -2.46 0.03 0.00 0.71 0.00 0.00 54.79 52.71 1jqj n ASP 107 Cb 0.77 -1.39 -0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1jqj n ASP 107 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jqj s LEU 108 N 0.03 -1.53 0.51 0.64 2.96 -1.25 -2.23 118.68 117.81 1jqj s LEU 108 Ca 0.65 -0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 54.23 1jqj s LEU 108 Cb 0.29 1.95 -0.06 0.00 0.50 0.00 0.00 46.19 48.87 1jqj s LEU 108 CO -0.01 -0.23 0.92 -0.22 -1.32 0.00 0.00 176.35 175.49 1jqj s LEU 109 N 2.42 3.56 -0.02 -0.68 2.96 -0.51 -4.67 118.68 121.75 1jqj s LEU 109 Ca 0.13 1.34 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 1jqj s LEU 109 Cb -0.07 -4.30 0.02 0.00 0.50 0.00 0.00 46.19 42.34 1jqj s LEU 109 CO -0.18 -0.62 0.01 -0.22 -1.32 0.00 0.00 176.35 174.02 1jqj s LEU 110 N -4.41 1.38 -0.02 -0.68 2.96 -1.06 -2.34 118.68 114.51 1jqj s LEU 110 Ca 0.54 -0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.51 1jqj s LEU 110 Cb -0.10 -0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 1jqj s LEU 110 CO 0.39 -0.08 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.52 1jqj s ILE 111 N 0.73 1.61 -0.12 6.68 1.01 -0.01 0.57 121.20 131.68 1jqj s ILE 111 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1jqj s ILE 111 Cb -0.10 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.05 1jqj s ILE 111 CO -0.02 0.46 -0.12 -0.69 0.00 0.00 0.00 174.94 174.57 1jqj s VAL 112 N -0.45 1.36 -0.11 2.92 1.01 0.72 0.11 120.40 125.95 1jqj s VAL 112 Ca 0.07 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1jqj s VAL 112 Cb -0.08 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1jqj s VAL 112 CO -0.01 0.42 -0.12 -0.60 0.00 0.00 0.00 175.10 174.79 1jqj s ARG 113 N 1.32 3.14 0.00 2.72 3.52 -0.24 0.11 118.95 129.52 1jqj s ARG 113 Ca -0.00 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1jqj s ARG 113 Cb -0.14 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 1jqj s ARG 113 CO -0.06 0.35 0.00 0.41 -0.81 0.00 0.00 175.30 175.19 1jqj n GLY 114 N 3.13 -1.17 3.94 8.12 0.00 -0.34 -2.02 105.19 116.86 1jqj n GLY 114 Ca -0.18 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1jqj n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jqj s ASN 115 N -4.00 5.86 -0.30 1.61 -0.87 -1.25 0.11 114.94 116.09 1jqj s ASN 115 Ca 0.00 0.45 -0.33 0.00 -1.57 0.00 0.00 52.86 51.40 1jqj s ASN 115 Cb 0.00 -1.68 -0.15 0.00 -0.02 0.00 0.00 41.25 39.41 1jqj s ASN 115 CO 0.00 -0.73 1.10 1.17 -2.57 0.00 0.00 177.10 176.07 1jqj n LYS 116 N -2.17 0.00 -1.68 -0.60 4.81 -1.26 -4.55 118.16 112.70 1jqj n LYS 116 Ca 0.01 0.00 -0.49 0.00 -0.87 0.00 0.00 58.31 56.97 1jqj n LYS 116 Cb 0.57 -1.09 -0.05 0.00 0.02 0.00 0.00 35.03 34.49 1jqj n LYS 116 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jqj n LEU 117 N 2.61 3.36 -3.33 3.14 4.77 -1.26 -4.71 117.00 121.58 1jqj n LEU 117 Ca 0.21 0.99 -0.47 0.00 -0.03 0.00 0.00 56.01 56.71 1jqj n LEU 117 Cb -0.03 -1.36 -0.09 0.00 -2.33 0.00 0.00 43.42 39.61 1jqj n LEU 117 CO 0.62 -0.09 1.24 -1.54 -1.33 0.00 0.00 177.39 176.29 1jqj n SER 118 N 6.32 0.64 0.00 -1.43 3.41 -1.26 -4.65 113.62 116.65 1jqj n SER 118 Ca 0.22 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1jqj n SER 118 Cb 0.29 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1jqj n SER 118 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jqj n LYS 119 N 5.24 0.00 -0.13 4.33 5.02 -1.26 0.27 118.16 131.63 1jqj n LYS 119 Ca 0.39 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.78 1jqj n LYS 119 Cb -0.03 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.14 1jqj n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jqj n ALA 120 N -2.86 2.40 1.30 7.82 0.00 -1.26 -4.39 120.51 123.51 1jqj n ALA 120 Ca 0.00 -0.91 0.11 0.00 0.00 0.00 0.00 53.44 52.64 1jqj n ALA 120 Cb 0.00 -0.71 0.64 0.00 0.00 0.00 0.00 19.45 19.38 1jqj n ALA 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jqj n GLN 121 N 1.20 0.56 -0.13 0.00 3.00 0.78 -2.20 117.38 120.58 1jqj n GLN 121 Ca 0.15 0.03 0.04 0.00 -0.01 0.00 0.00 57.00 57.21 1jqj n GLN 121 Cb 0.52 -1.50 0.11 0.00 0.00 0.00 0.00 30.24 29.38 1jqj n GLN 121 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1jqj n GLU 122 N -1.12 1.61 -0.00 -1.09 1.02 -1.26 -2.57 120.64 117.23 1jqj n GLU 122 Ca 0.15 -0.91 0.08 0.00 -0.02 0.00 0.00 57.16 56.46 1jqj n GLU 122 Cb 0.12 -1.22 -0.12 0.00 -0.02 0.00 0.00 31.44 30.21 1jqj n GLU 122 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jqj n ASN 123 N 0.23 0.91 -4.34 1.62 3.02 -0.93 -4.40 115.26 111.37 1jqj n ASN 123 Ca 0.08 -0.44 -0.36 0.00 -0.03 0.00 0.00 54.58 53.84 1jqj n ASN 123 Cb 0.23 1.41 0.06 0.00 -0.61 0.00 0.00 39.78 40.87 1jqj n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jqj n ALA 124 N -1.76 -2.68 0.02 5.41 0.00 -1.06 -4.75 120.51 115.68 1jqj n ALA 124 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.06 1jqj n ALA 124 Cb 0.36 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 1jqj n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqj h ALA 125 N -0.65 -0.63 -0.83 0.00 0.00 -1.91 -3.05 119.26 112.20 1jqj h ALA 125 Ca -0.44 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 54.66 1jqj h ALA 125 Cb 1.34 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 19.48 1jqj h ALA 125 CO 0.37 -0.64 0.15 0.11 0.00 0.00 0.00 179.25 179.24 1jqj h TRP 126 N -0.09 0.21 0.00 0.00 5.08 -1.89 -2.56 115.95 116.69 1jqj h TRP 126 Ca -0.00 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.02 1jqj h TRP 126 Cb 0.09 0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.29 1jqj h TRP 126 CO -0.29 -0.21 0.00 0.34 -1.28 0.00 0.00 178.44 177.00 1jqj n PHE 127 N -5.26 0.00 -0.19 0.12 7.35 -1.16 -1.69 117.46 116.64 1jqj n PHE 127 Ca 0.18 0.00 0.30 0.00 -0.76 0.00 0.00 57.45 57.17 1jqj n PHE 127 Cb 0.59 -0.45 0.66 0.00 0.35 0.00 0.00 39.48 40.62 1jqj n PHE 127 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1jqj h THR 128 N 0.00 0.22 -0.71 -2.13 1.35 -1.44 0.72 112.91 110.91 1jqj h THR 128 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1jqj h THR 128 Cb 0.00 0.32 -0.03 0.00 -1.73 0.00 0.00 68.15 66.70 1jqj h THR 128 CO 0.00 0.00 0.33 0.00 -0.25 0.00 0.00 175.52 175.60 1jqj h ALA 129 N 1.11 1.23 0.03 6.62 0.00 -0.91 -3.23 119.26 124.13 1jqj h ALA 129 Ca 0.45 -0.15 -0.35 0.00 0.00 0.00 0.00 54.91 54.86 1jqj h ALA 129 Cb 2.24 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.69 1jqj h ALA 129 CO -0.00 0.58 -2.08 1.28 0.00 0.00 0.00 179.25 179.02 1jqj n LEU 130 N -4.32 1.55 0.00 0.00 4.77 0.23 -4.72 117.00 114.51 1jqj n LEU 130 Ca 0.07 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1jqj n LEU 130 Cb 0.15 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1jqj n LEU 130 CO 0.39 0.64 0.00 0.00 -1.33 0.00 0.00 177.39 177.09 1jqj n ALA 131 N -2.85 0.00 0.50 -1.18 0.00 -0.11 0.20 120.51 117.07 1jqj n ALA 131 Ca -0.30 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.20 1jqj n ALA 131 Cb 1.06 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.54 1jqj n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jqj n ASN 132 N -2.91 1.74 -1.23 0.00 3.02 -1.26 -1.00 115.26 113.62 1jqj n ASN 132 Ca 0.00 -1.37 -0.07 0.00 -0.03 0.00 0.00 54.58 53.11 1jqj n ASN 132 Cb 0.00 0.18 0.17 0.00 -0.61 0.00 0.00 39.78 39.52 1jqj n ASN 132 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1jqj n ARG 133 N 0.33 2.09 -3.94 3.52 0.63 0.53 -4.55 116.66 115.29 1jqj n ARG 133 Ca 0.06 -3.38 -0.12 0.00 -0.92 0.00 0.00 57.85 53.49 1jqj n ARG 133 Cb 0.28 -1.87 -0.00 0.00 0.45 0.00 0.00 32.46 31.32 1jqj n ARG 133 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1jqj s SER 134 N -2.84 0.48 0.02 6.15 1.04 -1.07 -3.47 113.70 114.01 1jqj s SER 134 Ca 0.45 -1.34 0.05 0.00 0.48 0.00 0.00 55.95 55.59 1jqj s SER 134 Cb 0.41 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 67.28 1jqj s SER 134 CO -0.01 -1.53 -0.15 -0.69 0.98 0.00 0.00 173.24 171.83 1jqj s VAL 135 N -2.55 1.21 -0.16 5.02 1.01 -0.72 -3.35 120.40 120.86 1jqj s VAL 135 Ca 0.23 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1jqj s VAL 135 Cb -0.03 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1jqj s VAL 135 CO 0.16 0.15 -0.19 -1.58 0.00 0.00 0.00 175.10 173.64 1jqj s GLN 136 N -0.85 2.79 -0.19 2.72 0.74 0.49 -0.93 119.66 124.43 1jqj s GLN 136 Ca 0.04 -0.76 -0.06 0.00 0.05 0.00 0.00 55.36 54.64 1jqj s GLN 136 Cb -0.07 -2.39 -0.03 0.00 1.10 0.00 0.00 33.01 31.62 1jqj s GLN 136 CO 0.01 -0.16 0.02 0.08 -0.55 0.00 0.00 175.29 174.68 1jqj s VAL 137 N 1.20 4.24 -0.48 1.34 1.01 1.00 -0.30 120.40 128.40 1jqj s VAL 137 Ca 0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1jqj s VAL 137 Cb -0.14 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.40 1jqj s VAL 137 CO -0.09 0.45 0.48 -0.89 0.00 0.00 0.00 175.10 175.04 1jqj s THR 138 N 0.69 5.10 -1.05 3.92 2.01 -0.80 -1.07 115.64 124.46 1jqj s THR 138 Ca 0.01 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 1jqj s THR 138 Cb -0.14 -4.18 0.29 0.00 0.01 0.00 0.00 72.50 68.48 1jqj s THR 138 CO 0.02 -0.65 1.24 0.00 -0.69 0.00 0.00 174.62 174.54 1jqj s GLN 140 N -2.13 3.60 0.06 0.00 2.00 -1.26 -2.44 119.66 119.49 1jqj s GLN 140 Ca 0.31 -0.12 -0.31 0.00 -2.00 0.00 0.00 55.36 53.25 1jqj s GLN 140 Cb -0.01 -2.92 -0.06 0.00 0.80 0.00 0.00 33.01 30.83 1jqj s GLN 140 CO 0.01 0.52 1.26 0.99 -0.50 0.00 0.00 175.29 177.57 1jqj s THR 141 N -1.57 3.86 0.28 -0.34 2.01 -1.26 -4.74 115.64 113.88 1jqj s THR 141 Ca 0.38 1.32 -0.05 0.00 0.31 0.00 0.00 61.69 63.65 1jqj s THR 141 Cb -0.13 -3.84 0.07 0.00 0.01 0.00 0.00 72.50 68.61 1jqj s THR 141 CO 0.23 0.08 0.26 -0.81 -0.69 0.00 0.00 174.62 173.70 1jqj n PRO 142 N 4.16 -1.37 -1.13 4.92 -0.04 -1.26 -5.01 135.00 135.27 1jqj n PRO 142 Ca 0.10 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 1jqj n PRO 142 Cb 0.45 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.54 1jqj n PRO 142 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jqj n GLU 143 N -2.22 0.00 0.00 0.54 -0.00 -1.26 -4.84 120.64 112.86 1jqj n GLU 143 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 1jqj n GLU 143 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.58 1jqj n GLU 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1jqj n GLN 144 N 0.00 0.00 -0.04 3.44 6.02 -1.26 0.17 117.38 125.72 1jqj n GLN 144 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 1jqj n GLN 144 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 1jqj n GLN 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jqj h ALA 145 N 0.00 0.18 0.00 -1.58 0.00 -2.04 -3.27 119.26 112.55 1jqj h ALA 145 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jqj h ALA 145 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jqj h ALA 145 CO 0.00 0.24 0.00 1.96 0.00 0.00 0.00 179.25 181.45 1jqj h GLN 146 N -0.03 0.00 -0.28 0.00 1.08 -1.44 -3.26 115.11 111.18 1jqj h GLN 146 Ca -0.01 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1jqj h GLN 146 Cb 0.97 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.39 1jqj h GLN 146 CO 0.07 0.00 0.04 1.25 -0.95 0.00 0.00 178.83 179.24 1jqj h LEU 147 N 0.00 0.46 0.01 1.46 5.85 0.17 -2.91 115.31 120.35 1jqj h LEU 147 Ca 0.00 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1jqj h LEU 147 Cb 0.45 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1jqj h LEU 147 CO 0.00 0.61 -0.27 -0.65 -0.34 0.00 0.00 178.44 177.79 1jqj h PRO 148 N 0.29 -0.34 -0.97 5.25 0.11 -1.73 -1.65 132.00 132.96 1jqj h PRO 148 Ca 0.08 0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.45 1jqj h PRO 148 Cb 0.35 0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.46 1jqj h PRO 148 CO 0.01 -0.22 0.63 0.07 -0.21 0.00 0.00 178.00 178.28 1jqj h ARG 149 N -0.35 0.40 -0.48 1.05 0.11 -1.77 1.03 114.38 114.37 1jqj h ARG 149 Ca 0.00 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 60.07 1jqj h ARG 149 Cb 0.37 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.34 1jqj h ARG 149 CO -0.17 0.26 0.32 2.35 0.10 0.00 0.00 179.97 182.83 1jqj h TRP 150 N 0.41 0.58 0.00 4.08 7.01 -1.12 0.40 115.95 127.31 1jqj h TRP 150 Ca 0.52 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.53 1jqj h TRP 150 Cb 1.31 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 1jqj h TRP 150 CO -0.00 0.36 -0.00 0.28 -2.79 0.00 0.00 178.44 176.29 1jqj h VAL 151 N 0.63 1.65 -0.72 2.65 2.07 0.17 -2.05 116.25 120.65 1jqj h VAL 151 Ca 0.18 -2.20 0.14 0.00 0.82 0.00 0.00 66.70 65.64 1jqj h VAL 151 Cb -0.03 3.09 -0.14 0.00 -1.52 0.00 0.00 31.29 32.69 1jqj h VAL 151 CO -0.04 0.55 -0.18 0.00 0.02 0.00 0.00 177.57 177.92 1jqj h ALA 152 N -0.06 0.48 -1.01 1.67 0.00 0.09 0.22 119.26 120.66 1jqj h ALA 152 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1jqj h ALA 152 Cb 0.91 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1jqj h ALA 152 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.84 1jqj n ALA 153 N -3.19 -0.29 -0.22 0.00 0.00 0.14 -1.92 120.51 115.02 1jqj n ALA 153 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1jqj n ALA 153 Cb 0.37 0.05 0.26 0.00 0.00 0.00 0.00 19.45 20.12 1jqj n ALA 153 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jqj n ARG 154 N -1.59 -0.05 0.40 0.00 3.00 -0.77 0.14 116.66 117.79 1jqj n ARG 154 Ca 0.00 0.97 -0.19 0.00 -0.00 0.00 0.00 57.85 58.64 1jqj n ARG 154 Cb 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 32.46 30.77 1jqj n ARG 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jqj h ALA 155 N 1.33 -1.04 -0.55 5.13 0.00 -0.43 -3.03 119.26 120.66 1jqj h ALA 155 Ca 0.45 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1jqj h ALA 155 Cb 1.03 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 1jqj h ALA 155 CO -0.59 -1.09 -0.10 -0.22 0.00 0.00 0.00 179.25 177.25 1jqj h LYS 156 N -1.03 0.03 0.00 0.00 3.64 0.20 0.47 116.57 119.87 1jqj h LYS 156 Ca -0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1jqj h LYS 156 Cb 0.81 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1jqj h LYS 156 CO 0.14 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 1jqj n GLN 157 N -5.35 0.41 0.00 1.90 10.64 -0.56 0.98 117.38 125.40 1jqj n GLN 157 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1jqj n GLN 157 Cb 0.30 -1.07 0.00 0.00 -0.86 0.00 0.00 30.24 28.61 1jqj n GLN 157 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1jqj n LEU 158 N -0.57 1.13 -3.32 2.61 4.77 0.16 -5.01 117.00 116.77 1jqj n LEU 158 Ca 0.01 -1.13 -0.16 0.00 -0.03 0.00 0.00 56.01 54.71 1jqj n LEU 158 Cb 0.01 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1jqj n LEU 158 CO 0.01 0.28 0.10 0.59 -1.33 0.00 0.00 177.39 177.04 1jqj n ASN 159 N -0.08 -2.67 -4.46 -1.43 3.02 0.28 -5.02 115.26 104.89 1jqj n ASN 159 Ca 0.00 -0.61 -0.29 0.00 -0.03 0.00 0.00 54.58 53.65 1jqj n ASN 159 Cb 0.05 -4.98 -0.12 0.00 -0.61 0.00 0.00 39.78 34.13 1jqj n ASN 159 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jqj s LEU 160 N -6.08 2.59 -0.67 3.41 1.02 -1.06 -4.96 118.68 112.93 1jqj s LEU 160 Ca 0.06 -0.66 -0.00 0.00 0.02 0.00 0.00 54.13 53.55 1jqj s LEU 160 Cb -0.01 -1.41 0.41 0.00 0.02 0.00 0.00 46.19 45.20 1jqj s LEU 160 CO 0.71 0.16 1.84 -0.62 0.02 0.00 0.00 176.35 178.46 1jqj n GLU 161 N 0.66 2.90 -1.55 1.70 1.02 -0.65 -4.28 120.64 120.43 1jqj n GLU 161 Ca -0.15 -3.61 -0.50 0.00 -0.02 0.00 0.00 57.16 52.88 1jqj n GLU 161 Cb 0.54 -2.28 -0.04 0.00 -0.02 0.00 0.00 31.44 29.63 1jqj n GLU 161 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1jqj n LEU 162 N -0.71 1.08 -4.86 -4.62 0.00 -1.26 -4.14 117.00 102.49 1jqj n LEU 162 Ca 0.55 1.14 -0.31 0.00 0.00 0.00 0.00 56.01 57.39 1jqj n LEU 162 Cb 0.54 -1.16 -0.04 0.00 0.00 0.00 0.00 43.42 42.76 1jqj n LEU 162 CO 0.60 -1.54 0.53 -1.81 0.00 0.00 0.00 177.39 175.18 1jqj s ASP 163 N -0.11 6.63 0.13 1.96 1.11 -1.09 -4.93 116.67 120.38 1jqj s ASP 163 Ca 0.74 1.35 -0.26 0.00 0.18 0.00 0.00 52.55 54.56 1jqj s ASP 163 Cb -0.91 -2.41 -0.03 0.00 1.07 0.00 0.00 42.92 40.65 1jqj s ASP 163 CO 0.53 -0.43 1.61 0.44 1.18 0.00 0.00 175.17 178.51 1jqj h ASP 164 N 1.36 -0.96 0.43 0.27 3.32 -1.94 -0.73 116.42 118.17 1jqj h ASP 164 Ca -0.47 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1jqj h ASP 164 Cb 1.18 0.41 -0.02 0.00 0.22 0.00 0.00 39.33 41.12 1jqj h ASP 164 CO 0.63 -0.36 -0.36 0.00 -1.72 0.00 0.00 179.24 177.43 1jqj h ALA 165 N 0.40 -0.82 -0.52 3.45 0.00 -1.99 -2.56 119.26 117.23 1jqj h ALA 165 Ca 0.09 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.01 1jqj h ALA 165 Cb 0.54 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1jqj h ALA 165 CO -0.33 -0.99 0.39 0.00 0.00 0.00 0.00 179.25 178.32 1jqj h ALA 166 N -0.38 2.44 -0.14 0.00 0.00 -1.84 -0.08 119.26 119.26 1jqj h ALA 166 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1jqj h ALA 166 Cb 0.69 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jqj h ALA 166 CO -0.02 -0.66 0.03 -0.97 0.00 0.00 0.00 179.25 177.63 1jqj h ASN 167 N 0.00 0.21 -0.43 0.00 -1.24 -0.72 -2.08 115.58 111.33 1jqj h ASN 167 Ca 0.24 -0.23 0.03 0.00 0.71 0.00 0.00 56.30 57.06 1jqj h ASN 167 Cb 1.02 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.98 1jqj h ASN 167 CO -0.00 0.39 0.21 1.56 -1.29 0.00 0.00 177.43 178.30 1jqj h GLN 168 N 0.03 0.42 0.23 6.67 1.08 -0.86 -1.12 115.11 121.56 1jqj h GLN 168 Ca 0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1jqj h GLN 168 Cb 0.26 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 1jqj h GLN 168 CO 0.00 0.28 -0.49 0.28 -0.95 0.00 0.00 178.83 177.95 1jqj h VAL 169 N 0.43 0.00 -1.03 -0.54 2.07 -1.19 0.25 116.25 116.25 1jqj h VAL 169 Ca 0.18 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.97 1jqj h VAL 169 Cb 0.09 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.74 1jqj h VAL 169 CO -0.13 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 178.02 1jqj h LEU 170 N -0.78 0.57 -0.71 2.57 3.38 -1.14 0.35 115.31 119.55 1jqj h LEU 170 Ca -0.02 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1jqj h LEU 170 Cb 0.74 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1jqj h LEU 170 CO -0.20 0.07 -0.13 0.00 0.09 0.00 0.00 178.44 178.26 1jqj h TYR 172 N 0.77 1.02 0.00 0.00 5.03 0.30 -0.74 116.97 123.35 1jqj h TYR 172 Ca 0.12 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.22 1jqj h TYR 172 Cb 0.65 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.68 1jqj h TYR 172 CO 0.04 0.99 -1.07 0.00 -1.32 0.00 0.00 178.16 176.79 1jqj n TYR 174 N -2.55 0.00 -0.36 0.00 4.02 -0.95 -4.97 117.16 112.36 1jqj n TYR 174 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.73 1jqj n TYR 174 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 1jqj n TYR 174 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1jqj n GLU 175 N -0.24 0.00 0.00 -0.72 2.13 -0.28 -0.06 120.64 121.47 1jqj n GLU 175 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1jqj n GLU 175 Cb 0.11 -0.37 0.00 0.00 0.27 0.00 0.00 31.44 31.46 1jqj n GLU 175 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jqj n GLY 176 N 1.49 3.36 3.27 8.31 0.00 -1.26 -5.01 105.19 115.35 1jqj n GLY 176 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1jqj n GLY 176 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jqj s ASN 177 N -0.57 6.15 0.17 1.61 3.84 0.92 -4.94 114.94 122.12 1jqj s ASN 177 Ca 0.00 -2.20 -0.13 0.00 0.21 0.00 0.00 52.86 50.74 1jqj s ASN 177 Cb 0.00 -2.13 0.06 0.00 -0.55 0.00 0.00 41.25 38.64 1jqj s ASN 177 CO 0.00 -0.69 1.76 -0.07 -2.79 0.00 0.00 177.10 175.32 1jqj h LEU 178 N 8.27 0.72 -0.99 3.21 -0.00 -1.95 -2.73 115.31 121.83 1jqj h LEU 178 Ca -0.13 -0.12 0.10 0.00 -0.00 0.00 0.00 57.88 57.73 1jqj h LEU 178 Cb 1.06 -0.18 -0.08 0.00 -0.00 0.00 0.00 40.66 41.46 1jqj h LEU 178 CO 0.88 0.63 0.63 0.25 -0.00 0.00 0.00 178.44 180.82 1jqj h LEU 179 N 0.75 0.95 -0.01 1.67 5.85 -1.97 0.12 115.31 122.68 1jqj h LEU 179 Ca 0.19 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1jqj h LEU 179 Cb 0.09 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1jqj h LEU 179 CO -0.03 0.55 0.00 0.00 -0.34 0.00 0.00 178.44 178.62 1jqj h ALA 180 N 1.50 0.01 -0.91 1.25 0.00 -1.89 -0.86 119.26 118.35 1jqj h ALA 180 Ca 0.46 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1jqj h ALA 180 Cb 0.35 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1jqj h ALA 180 CO -0.23 -0.34 0.59 -0.07 0.00 0.00 0.00 179.25 179.20 1jqj h LEU 181 N -0.28 0.98 0.12 0.00 3.38 -1.13 0.45 115.31 118.83 1jqj h LEU 181 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jqj h LEU 181 Cb 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1jqj h LEU 181 CO 0.00 0.67 -0.06 0.00 0.09 0.00 0.00 178.44 179.14 1jqj h ALA 182 N 1.38 -0.95 -0.72 1.53 0.00 -0.65 -1.83 119.26 118.01 1jqj h ALA 182 Ca 0.37 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.45 1jqj h ALA 182 Cb 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1jqj h ALA 182 CO -0.13 -0.94 0.56 1.96 0.00 0.00 0.00 179.25 180.70 1jqj h GLN 183 N -0.17 0.00 0.50 0.00 4.20 -1.08 0.25 115.11 118.82 1jqj h GLN 183 Ca -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1jqj h GLN 183 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1jqj h GLN 183 CO 0.03 0.00 -0.27 0.00 -0.67 0.00 0.00 178.83 177.92 1jqj h ALA 184 N 1.56 -1.16 -0.53 3.87 0.00 0.09 -1.40 119.26 121.69 1jqj h ALA 184 Ca 0.34 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.21 1jqj h ALA 184 Cb 1.46 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 19.47 1jqj h ALA 184 CO -0.00 -1.12 -0.16 -0.07 0.00 0.00 0.00 179.25 177.90 1jqj h LEU 185 N -0.71 -0.58 -0.83 0.00 3.38 -0.15 0.19 115.31 116.61 1jqj h LEU 185 Ca -0.07 0.17 0.20 0.00 0.09 0.00 0.00 57.88 58.27 1jqj h LEU 185 Cb 0.55 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1jqj h LEU 185 CO 0.10 -0.20 0.24 -0.33 0.09 0.00 0.00 178.44 178.34 1jqj h GLU 186 N -0.03 0.26 0.46 1.13 5.08 -1.01 0.47 114.58 120.94 1jqj h GLU 186 Ca 0.25 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1jqj h GLU 186 Cb 0.42 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1jqj h GLU 186 CO -0.56 0.17 -0.22 -0.09 -1.00 0.00 0.00 179.01 177.31 1jqj h ARG 187 N 0.27 -0.60 -0.83 2.33 2.43 0.47 -2.92 114.38 115.53 1jqj h ARG 187 Ca 0.50 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.84 1jqj h ARG 187 Cb 0.93 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 1jqj h ARG 187 CO -0.57 -0.29 0.54 -0.07 -1.51 0.00 0.00 179.97 178.06 1jqj h LEU 188 N -0.94 0.57 -0.51 3.80 4.07 -0.85 -0.78 115.31 120.66 1jqj h LEU 188 Ca -0.06 0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.03 1jqj h LEU 188 Cb 0.58 -0.08 -0.10 0.00 1.08 0.00 0.00 40.66 42.14 1jqj h LEU 188 CO 0.10 0.30 -0.17 -1.28 -1.08 0.00 0.00 178.44 176.32 1jqj h SER 189 N 0.61 -0.60 0.62 -0.43 0.87 -0.77 -0.18 113.55 113.67 1jqj h SER 189 Ca 0.41 0.17 -0.14 0.00 -1.23 0.00 0.00 61.79 61.00 1jqj h SER 189 Cb 0.71 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1jqj h SER 189 CO -0.16 -0.21 -0.64 -0.07 -0.53 0.00 0.00 176.83 175.22 1jqj h LEU 190 N -0.05 0.02 -0.69 2.23 -0.00 -0.99 -2.95 115.31 112.89 1jqj h LEU 190 Ca 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1jqj h LEU 190 Cb 0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1jqj h LEU 190 CO -0.55 0.66 0.00 -0.07 -0.00 0.00 0.00 178.44 178.48 1jqj h LEU 191 N 0.01 0.00 -6.29 1.67 3.38 -0.38 -3.38 115.31 110.32 1jqj h LEU 191 Ca -0.01 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.57 1jqj h LEU 191 Cb 1.14 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.58 1jqj h LEU 191 CO 0.09 0.00 -0.71 0.26 0.09 0.00 0.00 178.44 178.16 1jqj s TRP 192 N -3.35 -0.17 0.46 1.13 0.52 -0.21 -4.93 118.94 112.38 1jqj s TRP 192 Ca 0.05 -1.02 0.40 0.00 0.02 0.00 0.00 56.10 55.55 1jqj s TRP 192 Cb 0.09 -0.44 2.11 0.00 -1.15 0.00 0.00 33.47 34.08 1jqj s TRP 192 CO 0.50 -0.97 2.22 -1.35 0.02 0.00 0.00 176.95 177.37 1jqj h PRO 193 N 6.79 0.00 -0.95 4.98 0.11 -1.74 0.11 132.00 141.29 1jqj h PRO 193 Ca 0.08 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.43 1jqj h PRO 193 Cb 1.04 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.02 1jqj h PRO 193 CO 0.21 0.00 0.48 0.22 -0.21 0.00 0.00 178.00 178.69 1jqj h ASP 194 N 0.00 0.44 0.00 -2.05 1.82 -1.92 -3.45 116.42 111.26 1jqj h ASP 194 Ca 0.00 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1jqj h ASP 194 Cb 0.07 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1jqj h ASP 194 CO 0.00 -0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.23 1jqj n GLY 195 N -1.32 1.15 3.35 -0.78 0.00 0.37 -5.03 105.19 102.92 1jqj n GLY 195 Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 1jqj n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jqj s LYS 196 N -0.60 3.14 -1.11 1.61 1.02 -1.26 -1.64 119.74 120.89 1jqj s LYS 196 Ca 0.00 -1.65 -0.19 0.00 0.02 0.00 0.00 55.97 54.15 1jqj s LYS 196 Cb 0.00 -4.34 0.09 0.00 -0.52 0.00 0.00 37.83 33.06 1jqj s LYS 196 CO 0.00 -1.44 1.46 -0.51 -0.92 0.00 0.00 175.35 173.94 1jqj s LEU 197 N 1.93 4.18 0.69 3.17 1.43 -1.26 -4.97 118.68 123.86 1jqj s LEU 197 Ca 0.11 -2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 50.98 1jqj s LEU 197 Cb -0.23 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.50 1jqj s LEU 197 CO 0.02 -1.19 1.06 0.42 0.23 0.00 0.00 176.35 176.89 1jqj s THR 198 N 3.71 3.28 0.14 5.49 -4.23 -1.26 -2.68 115.64 120.08 1jqj s THR 198 Ca 0.45 0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 60.94 1jqj s THR 198 Cb -0.00 -3.39 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 1jqj s THR 198 CO -0.03 -0.48 1.57 0.25 -0.54 0.00 0.00 174.62 175.39 1jqj h LEU 199 N -0.60 -1.43 -0.56 4.79 5.85 -1.94 -1.43 115.31 120.00 1jqj h LEU 199 Ca -0.45 0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.57 1jqj h LEU 199 Cb 1.27 0.59 -0.11 0.00 0.37 0.00 0.00 40.66 42.78 1jqj h LEU 199 CO 0.63 -0.41 -0.30 -0.65 -0.34 0.00 0.00 178.44 177.37 1jqj h PRO 200 N -0.44 -0.14 -1.00 5.25 0.11 -1.98 0.35 132.00 134.14 1jqj h PRO 200 Ca 0.09 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.29 1jqj h PRO 200 Cb 0.62 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.69 1jqj h PRO 200 CO -0.47 -0.09 0.64 0.00 -0.21 0.00 0.00 178.00 177.87 1jqj h ARG 201 N -0.15 1.09 -0.02 1.05 3.08 -1.76 0.15 114.38 117.81 1jqj h ARG 201 Ca 0.24 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1jqj h ARG 201 Cb 0.53 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1jqj h ARG 201 CO -0.65 0.72 -0.08 0.28 -1.07 0.00 0.00 179.97 179.17 1jqj h VAL 202 N 1.12 1.50 0.00 2.04 2.07 -0.17 -3.26 116.25 119.56 1jqj h VAL 202 Ca 0.45 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1jqj h VAL 202 Cb 0.26 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1jqj h VAL 202 CO -0.20 0.42 0.00 -0.62 0.02 0.00 0.00 177.57 177.19 1jqj n GLU 203 N -4.69 0.00 0.00 1.57 -0.58 0.11 0.33 120.64 117.39 1jqj n GLU 203 Ca -0.09 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 1jqj n GLU 203 Cb 0.37 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1jqj n GLU 203 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1jqj n GLN 204 N -2.70 0.00 0.00 3.49 7.27 0.45 0.11 117.38 126.00 1jqj n GLN 204 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1jqj n GLN 204 Cb 0.00 -0.84 0.00 0.00 2.41 0.00 0.00 30.24 31.81 1jqj n GLN 204 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jqj n ALA 205 N 0.18 1.40 -0.04 1.69 0.00 0.15 -4.39 120.51 119.50 1jqj n ALA 205 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jqj n ALA 205 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1jqj n ALA 205 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jqj n VAL 206 N -1.10 0.00 0.22 0.00 0.31 0.30 -3.44 118.33 114.61 1jqj n VAL 206 Ca 0.00 0.84 0.08 0.00 -0.01 0.00 0.00 64.34 65.24 1jqj n VAL 206 Cb 0.19 -1.81 0.48 0.00 -0.91 0.00 0.00 33.84 31.80 1jqj n VAL 206 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1jqj h ASN 207 N 0.00 0.00 -0.15 4.52 -0.00 -1.80 -2.00 115.58 116.16 1jqj h ASN 207 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.22 1jqj h ASN 207 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.27 1jqj h ASN 207 CO 0.00 0.27 0.10 0.47 -0.00 0.00 0.00 177.43 178.27 1jqj n ASP 208 N -3.66 3.16 0.00 6.14 8.00 -1.26 -5.09 116.55 123.85 1jqj n ASP 208 Ca -0.01 -2.25 0.00 0.00 0.71 0.00 0.00 54.79 53.24 1jqj n ASP 208 Cb 0.39 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1jqj n ASP 208 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jqj n ALA 209 N 0.27 2.62 0.00 2.24 0.00 -0.76 -4.76 120.51 120.13 1jqj n ALA 209 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1jqj n ALA 209 Cb 0.67 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1jqj n ALA 209 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jqj n THR 213 N -2.39 0.00 0.21 0.00 -1.04 -1.26 -4.99 114.28 104.82 1jqj n THR 213 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1jqj n THR 213 Cb 0.19 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.90 1jqj n THR 213 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1jqj h PRO 214 N 0.00 0.00 0.00 -2.82 0.13 -1.99 0.11 132.00 127.43 1jqj h PRO 214 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1jqj h PRO 214 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1jqj h PRO 214 CO 0.00 0.00 -1.77 1.19 -0.23 0.00 0.00 178.00 177.19 1jqj n PHE 215 N -2.10 0.62 -0.30 1.56 3.01 -1.26 -3.65 117.46 115.34 1jqj n PHE 215 Ca -0.00 0.21 0.03 0.00 1.01 0.00 0.00 57.45 58.70 1jqj n PHE 215 Cb 0.62 -1.00 0.23 0.00 -0.01 0.00 0.00 39.48 39.32 1jqj n PHE 215 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1jqj h HIS 216 N 0.00 1.05 0.29 1.38 3.86 -1.19 0.89 115.15 121.43 1jqj h HIS 216 Ca -0.26 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1jqj h HIS 216 Cb 1.73 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.85 1jqj h HIS 216 CO 0.00 0.57 -0.19 2.35 0.86 0.00 0.00 177.93 181.52 1jqj h TRP 217 N 1.05 -0.51 -0.47 2.45 7.01 -1.67 -2.87 115.95 120.94 1jqj h TRP 217 Ca 0.38 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.44 1jqj h TRP 217 Cb 0.15 0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.34 1jqj h TRP 217 CO -0.00 -0.28 0.15 0.28 -2.79 0.00 0.00 178.44 175.79 1jqj h VAL 218 N -0.46 0.82 0.00 2.65 2.07 -1.57 0.74 116.25 120.51 1jqj h VAL 218 Ca -0.04 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1jqj h VAL 218 Cb 0.37 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1jqj h VAL 218 CO 0.03 0.06 0.00 0.47 0.02 0.00 0.00 177.57 178.15 1jqj n ASP 219 N -5.03 0.00 -0.00 0.57 8.00 0.28 -0.63 116.55 119.74 1jqj n ASP 219 Ca 0.04 0.08 -0.00 0.00 0.71 0.00 0.00 54.79 55.62 1jqj n ASP 219 Cb 0.19 -0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1jqj n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jqj n ALA 220 N -1.12 2.00 1.73 2.24 0.00 0.14 -4.49 120.51 121.00 1jqj n ALA 220 Ca 0.01 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1jqj n ALA 220 Cb 0.01 0.21 0.36 0.00 0.00 0.00 0.00 19.45 20.03 1jqj n ALA 220 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1jqj n LEU 221 N -1.93 0.00 -1.98 0.00 0.00 0.23 -1.06 117.00 112.26 1jqj n LEU 221 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.98 1jqj n LEU 221 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.81 1jqj n LEU 221 CO 0.00 0.00 0.75 0.18 0.00 0.00 0.00 177.39 178.32 1jqj n LEU 222 N -0.72 2.62 0.00 -1.96 4.77 -0.52 -4.27 117.00 116.92 1jqj n LEU 222 Ca 0.09 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 1jqj n LEU 222 Cb 0.04 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1jqj n LEU 222 CO 0.07 0.54 0.00 0.23 -1.33 0.00 0.00 177.39 176.90 1jqj n MET 223 N 2.21 -0.88 -0.56 3.23 2.81 -1.25 -4.67 117.12 118.02 1jqj n MET 223 Ca 0.10 0.22 -0.30 0.00 -1.81 0.00 0.00 57.70 55.91 1jqj n MET 223 Cb 0.34 -4.24 0.22 0.00 -0.71 0.00 0.00 33.22 28.83 1jqj n MET 223 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jqj n GLY 224 N -0.86 -2.45 3.31 3.03 0.00 -0.23 -4.54 105.19 103.45 1jqj n GLY 224 Ca 0.00 -1.00 -0.56 0.00 0.00 0.00 0.00 46.02 44.46 1jqj n GLY 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jqj n LYS 225 N -3.42 0.02 0.08 1.61 4.01 -1.26 -4.70 118.16 114.50 1jqj n LYS 225 Ca 0.02 0.01 0.06 0.00 -0.51 0.00 0.00 58.31 57.88 1jqj n LYS 225 Cb 0.58 -1.52 0.30 0.00 -0.51 0.00 0.00 35.03 33.88 1jqj n LYS 225 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1jqj n SER 226 N 8.18 0.29 0.13 4.39 3.41 -1.26 -1.72 113.62 127.03 1jqj n SER 226 Ca 0.57 0.63 -0.05 0.00 -0.26 0.00 0.00 58.87 59.76 1jqj n SER 226 Cb -0.02 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.24 1jqj n SER 226 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jqj h LYS 227 N 0.00 -0.31 -0.01 4.33 6.56 -1.98 -2.97 116.57 122.17 1jqj h LYS 227 Ca 0.00 0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.49 1jqj h LYS 227 Cb 0.02 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 1jqj h LYS 227 CO 0.00 -0.21 -0.54 0.07 -2.06 0.00 0.00 179.45 176.71 1jqj h ARG 228 N -0.33 0.04 -0.90 3.15 0.11 -1.87 -3.21 114.38 111.37 1jqj h ARG 228 Ca -0.03 -0.02 0.18 0.00 0.10 0.00 0.00 59.98 60.20 1jqj h ARG 228 Cb 0.25 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.23 1jqj h ARG 228 CO 0.05 0.57 0.47 0.00 0.10 0.00 0.00 179.97 181.16 1jqj h ALA 229 N 1.43 1.42 0.00 0.08 0.00 -1.34 0.43 119.26 121.27 1jqj h ALA 229 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jqj h ALA 229 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1jqj h ALA 229 CO 0.07 -0.14 0.00 -0.11 0.00 0.00 0.00 179.25 179.07 1jqj n LEU 230 N -4.88 0.62 0.32 0.00 7.94 -1.13 -3.61 117.00 116.27 1jqj n LEU 230 Ca 0.20 0.57 -0.15 0.00 -1.11 0.00 0.00 56.01 55.52 1jqj n LEU 230 Cb 0.52 -0.39 -0.07 0.00 0.53 0.00 0.00 43.42 44.01 1jqj n LEU 230 CO 0.19 -0.19 0.44 -0.74 -1.11 0.00 0.00 177.39 175.99 1jqj h HIS 231 N 0.00 -0.78 -0.91 1.96 2.76 -0.23 -3.31 115.15 114.64 1jqj h HIS 231 Ca 0.00 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 1jqj h HIS 231 Cb 0.64 0.26 -0.12 0.00 1.55 0.00 0.00 27.41 29.74 1jqj h HIS 231 CO 0.00 -0.44 -0.50 -0.89 -1.30 0.00 0.00 177.93 174.80 1jqj n ILE 232 N -5.36 -0.59 -0.31 6.26 5.41 -1.10 -2.07 119.36 121.60 1jqj n ILE 232 Ca -0.12 2.19 0.02 0.00 1.00 0.00 0.00 62.75 65.84 1jqj n ILE 232 Cb 0.35 -2.74 0.07 0.00 -0.71 0.00 0.00 39.64 36.61 1jqj n ILE 232 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1jqj n LEU 233 N -5.18 -0.43 0.02 1.39 4.32 -1.25 -0.68 117.00 115.19 1jqj n LEU 233 Ca 0.03 1.44 -0.11 0.00 -0.02 0.00 0.00 56.01 57.35 1jqj n LEU 233 Cb 0.26 -0.38 -0.04 0.00 -1.62 0.00 0.00 43.42 41.65 1jqj n LEU 233 CO -0.14 -1.33 0.66 1.56 -1.22 0.00 0.00 177.39 176.92 1jqj h GLN 234 N 0.00 -0.37 -1.01 3.23 1.08 -1.57 0.19 115.11 116.66 1jqj h GLN 234 Ca 0.34 0.03 0.26 0.00 -1.45 0.00 0.00 58.65 57.82 1jqj h GLN 234 Cb 0.55 0.08 -0.13 0.00 -0.05 0.00 0.00 27.48 27.93 1jqj h GLN 234 CO -0.84 -0.25 0.60 1.96 -0.95 0.00 0.00 178.83 179.35 1jqj h GLN 235 N -0.39 0.52 0.50 1.46 7.50 -0.99 -1.93 115.11 121.77 1jqj h GLN 235 Ca 0.09 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.18 1jqj h GLN 235 Cb 0.52 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.94 1jqj h GLN 235 CO -0.32 0.34 -0.24 -0.07 -1.50 0.00 0.00 178.83 177.05 1jqj h LEU 236 N 0.53 -0.56 -2.08 1.46 3.38 -0.58 -2.85 115.31 114.60 1jqj h LEU 236 Ca 0.66 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.56 1jqj h LEU 236 Cb 1.31 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1jqj h LEU 236 CO -0.49 -0.21 0.31 -0.09 0.09 0.00 0.00 178.44 178.05 1jqj h ARG 237 N -0.96 0.00 0.29 1.13 2.43 -0.49 -1.80 114.38 114.99 1jqj h ARG 237 Ca -0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1jqj h ARG 237 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1jqj h ARG 237 CO 0.11 0.00 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.36 1jqj h LEU 238 N 0.00 -0.33 -1.48 3.80 3.38 -1.20 -3.24 115.31 116.23 1jqj h LEU 238 Ca 0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1jqj h LEU 238 Cb 0.62 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1jqj h LEU 238 CO -0.00 0.09 0.55 -0.33 0.09 0.00 0.00 178.44 178.84 1jqj h GLU 239 N -1.05 0.00 0.00 1.13 5.08 -1.11 -3.43 114.58 115.19 1jqj h GLU 239 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1jqj h GLU 239 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1jqj h GLU 239 CO 0.07 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 1jqj n GLY 240 N -1.35 0.91 3.55 -3.84 0.00 -1.07 -5.00 105.19 98.38 1jqj n GLY 240 Ca 0.01 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1jqj n GLY 240 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jqj s SER 241 N -2.62 5.98 -0.16 1.61 1.04 -1.15 -4.95 113.70 113.46 1jqj s SER 241 Ca 0.00 -0.40 -0.25 0.00 0.48 0.00 0.00 55.95 55.78 1jqj s SER 241 Cb 0.00 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.45 1jqj s SER 241 CO 0.00 -1.94 0.78 1.21 0.98 0.00 0.00 173.24 174.26 1jqj n GLU 242 N 9.28 0.00 -0.20 4.02 4.07 -1.26 -4.75 120.64 131.80 1jqj n GLU 242 Ca 0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1jqj n GLU 242 Cb 0.50 -0.86 0.25 0.00 -0.06 0.00 0.00 31.44 31.27 1jqj n GLU 242 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1jqj h PRO 243 N 2.34 0.96 -0.89 5.31 0.13 -1.99 -3.03 132.00 134.84 1jqj h PRO 243 Ca -0.27 -0.06 0.14 0.00 -0.87 0.00 0.00 66.00 64.94 1jqj h PRO 243 Cb 0.80 -0.21 -0.15 0.00 0.13 0.00 0.00 31.00 31.57 1jqj h PRO 243 CO 0.47 0.65 -0.38 0.28 -0.23 0.00 0.00 178.00 178.80 1jqj h VAL 244 N 0.99 0.05 -0.95 1.56 2.07 -1.99 0.61 116.25 118.59 1jqj h VAL 244 Ca 0.27 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.89 1jqj h VAL 244 Cb -0.09 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 29.64 1jqj h VAL 244 CO -0.06 0.00 0.58 0.40 0.02 0.00 0.00 177.57 178.52 1jqj h ILE 245 N -0.05 0.94 -0.66 4.57 5.03 -1.90 0.16 117.51 125.62 1jqj h ILE 245 Ca 0.32 -0.33 -0.04 0.00 -0.12 0.00 0.00 64.86 64.68 1jqj h ILE 245 Cb 0.58 -0.10 -0.03 0.00 -3.03 0.00 0.00 36.82 34.25 1jqj h ILE 245 CO -0.91 0.17 0.24 -0.07 -0.68 0.00 0.00 178.15 176.91 1jqj h LEU 246 N 0.96 0.93 0.62 1.44 3.38 -0.00 0.71 115.31 123.34 1jqj h LEU 246 Ca 0.46 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1jqj h LEU 246 Cb 0.40 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1jqj h LEU 246 CO -0.25 0.86 -0.30 -0.07 0.09 0.00 0.00 178.44 178.78 1jqj h LEU 247 N 0.94 -0.71 -0.28 1.67 3.38 0.82 -2.56 115.31 118.56 1jqj h LEU 247 Ca 0.22 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1jqj h LEU 247 Cb 0.24 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1jqj h LEU 247 CO -0.01 -0.46 0.11 0.03 0.09 0.00 0.00 178.44 178.19 1jqj h ARG 248 N -0.90 0.23 -1.01 1.13 3.08 -0.55 0.24 114.38 116.59 1jqj h ARG 248 Ca -0.09 -0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.19 1jqj h ARG 248 Cb 0.66 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.56 1jqj h ARG 248 CO 0.14 0.15 0.63 1.15 -1.07 0.00 0.00 179.97 180.97 1jqj h THR 249 N 0.24 0.58 0.15 2.04 2.02 0.49 -0.72 112.91 117.71 1jqj h THR 249 Ca 0.12 -0.19 -0.28 0.00 0.77 0.00 0.00 66.41 66.84 1jqj h THR 249 Cb 0.08 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1jqj h THR 249 CO -0.12 0.10 -1.33 0.25 0.37 0.00 0.00 175.52 174.79 1jqj h LEU 250 N 0.55 0.51 -0.15 2.58 5.85 -0.99 -3.26 115.31 120.41 1jqj h LEU 250 Ca 0.60 -0.90 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1jqj h LEU 250 Cb 1.24 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1jqj h LEU 250 CO -0.37 1.61 -0.34 -0.61 -0.34 0.00 0.00 178.44 178.39 1jqj h GLN 251 N -0.19 -0.30 -0.99 1.25 4.15 0.63 1.41 115.11 121.07 1jqj h GLN 251 Ca -0.26 0.02 0.22 0.00 0.77 0.00 0.00 58.65 59.40 1jqj h GLN 251 Cb 1.85 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 29.52 1jqj h GLN 251 CO 0.13 -0.20 0.63 0.00 -1.93 0.00 0.00 178.83 177.46 1jqj h ARG 252 N -0.31 0.50 0.00 1.69 3.08 -1.36 1.03 114.38 119.01 1jqj h ARG 252 Ca 0.03 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1jqj h ARG 252 Cb 0.40 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1jqj h ARG 252 CO -0.30 0.33 -0.85 0.93 -1.07 0.00 0.00 179.97 179.01 1jqj h GLU 253 N 0.52 0.00 0.00 0.04 4.39 -1.07 -2.78 114.58 115.68 1jqj h GLU 253 Ca 0.55 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 60.05 1jqj h GLU 253 Cb 1.21 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1jqj h GLU 253 CO -0.29 0.85 -0.81 1.25 -1.16 0.00 0.00 179.01 178.84 1jqj h LEU 254 N 0.00 0.71 -0.19 1.33 5.85 0.50 -2.74 115.31 120.77 1jqj h LEU 254 Ca -0.01 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.96 1jqj h LEU 254 Cb 1.52 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1jqj h LEU 254 CO 0.11 1.37 0.00 0.18 -0.34 0.00 0.00 178.44 179.76 1jqj n LEU 255 N -4.05 0.08 -0.04 2.25 4.77 0.33 -1.08 117.00 119.26 1jqj n LEU 255 Ca -0.11 0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 56.20 1jqj n LEU 255 Cb 0.77 -0.54 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 1jqj n LEU 255 CO 0.51 -0.54 -0.40 0.25 -1.33 0.00 0.00 177.39 175.88 1jqj h LEU 256 N 0.00 0.21 -1.77 2.23 5.85 -1.20 -3.29 115.31 117.34 1jqj h LEU 256 Ca 0.00 -0.76 -0.03 0.00 0.84 0.00 0.00 57.88 57.93 1jqj h LEU 256 Cb 0.03 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1jqj h LEU 256 CO 0.00 1.53 -0.16 -0.07 -0.34 0.00 0.00 178.44 179.40 1jqj h LEU 257 N -0.58 0.00 -0.05 2.25 3.38 -0.95 -0.21 115.31 119.15 1jqj h LEU 257 Ca -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1jqj h LEU 257 Cb 1.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 1jqj h LEU 257 CO -0.04 0.16 0.01 0.58 0.09 0.00 0.00 178.44 179.24 1jqj h VAL 258 N 0.00 1.22 -0.40 1.22 2.07 -1.30 -2.13 116.25 116.92 1jqj h VAL 258 Ca -0.00 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1jqj h VAL 258 Cb 0.37 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1jqj h VAL 258 CO 0.02 0.18 -0.10 0.78 0.02 0.00 0.00 177.57 178.47 1jqj h ASN 259 N -0.17 0.79 0.00 0.57 2.35 -1.56 -1.75 115.58 115.81 1jqj h ASN 259 Ca 0.01 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 1jqj h ASN 259 Cb 0.28 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1jqj h ASN 259 CO 0.00 0.97 0.00 0.18 -1.65 0.00 0.00 177.43 176.93 1jqj n LEU 260 N -4.33 0.26 0.00 1.61 4.77 -0.12 -0.57 117.00 118.63 1jqj n LEU 260 Ca -0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1jqj n LEU 260 Cb 0.36 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1jqj n LEU 260 CO 0.43 0.06 -0.38 1.17 -1.33 0.00 0.00 177.39 177.34 1jqj n LYS 261 N 0.06 0.00 -0.06 3.23 3.00 -0.72 -4.66 118.16 119.02 1jqj n LYS 261 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1jqj n LYS 261 Cb 0.06 -0.63 -0.10 0.00 0.00 0.00 0.00 35.03 34.37 1jqj n LYS 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jqj h ARG 262 N 0.00 -0.01 -0.13 1.64 3.08 -0.72 -3.31 114.38 114.93 1jqj h ARG 262 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jqj h ARG 262 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1jqj h ARG 262 CO 0.00 0.73 0.00 1.04 -1.07 0.00 0.00 179.97 180.67 1jqj n GLN 263 N -4.66 0.68 -0.28 0.04 6.02 0.27 -3.50 117.38 115.94 1jqj n GLN 263 Ca -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.87 1jqj n GLN 263 Cb 0.36 -1.07 0.06 0.00 1.02 0.00 0.00 30.24 30.60 1jqj n GLN 263 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1jqj n SER 264 N -0.37 2.97 0.00 1.08 3.41 -1.25 -3.34 113.62 116.12 1jqj n SER 264 Ca 0.00 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 1jqj n SER 264 Cb 0.03 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1jqj n SER 264 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jqj n ALA 265 N 0.11 2.29 -1.00 7.33 0.00 -1.23 -4.99 120.51 123.03 1jqj n ALA 265 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1jqj n ALA 265 Cb 0.72 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1jqj n ALA 265 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jqj n HIS 266 N -2.06 0.00 -2.22 0.00 -0.00 -1.21 -4.85 115.22 104.88 1jqj n HIS 266 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1jqj n HIS 266 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 1jqj n HIS 266 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1jqj s THR 267 N 0.00 3.28 1.12 1.59 2.01 -1.25 -4.98 115.64 117.40 1jqj s THR 267 Ca 0.00 1.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.81 1jqj s THR 267 Cb 0.00 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 68.95 1jqj s THR 267 CO 0.00 0.13 -0.14 -2.65 -0.69 0.00 0.00 174.62 171.27 1jqj n PRO 268 N 3.01 -1.51 0.04 4.92 -0.02 -1.26 -4.60 135.00 135.57 1jqj n PRO 268 Ca 0.08 -0.43 -0.09 0.00 -2.02 0.00 0.00 63.50 61.04 1jqj n PRO 268 Cb 0.43 -1.64 -0.13 0.00 -0.02 0.00 0.00 33.50 32.14 1jqj n PRO 268 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jqj h LEU 269 N -2.00 0.05 -2.08 2.45 4.07 -1.94 -3.23 115.31 112.63 1jqj h LEU 269 Ca -0.53 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.32 1jqj h LEU 269 Cb 1.37 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 43.06 1jqj h LEU 269 CO 0.37 1.05 0.06 0.54 -1.08 0.00 0.00 178.44 179.38 1jqj n ARG 270 N -3.27 1.19 0.00 1.13 1.74 -1.26 -3.49 116.66 112.70 1jqj n ARG 270 Ca -0.07 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 1jqj n ARG 270 Cb 0.98 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 1jqj n ARG 270 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jqj n ALA 271 N 0.27 0.85 0.07 7.54 0.00 -1.24 -4.76 120.51 123.25 1jqj n ALA 271 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1jqj n ALA 271 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.09 1jqj n ALA 271 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1jqj n LEU 272 N -0.48 0.00 -0.05 0.00 7.94 -1.22 -1.98 117.00 121.21 1jqj n LEU 272 Ca 0.00 0.46 -0.08 0.00 -1.11 0.00 0.00 56.01 55.28 1jqj n LEU 272 Cb 0.00 -0.46 -0.02 0.00 0.53 0.00 0.00 43.42 43.47 1jqj n LEU 272 CO 0.00 -0.43 0.85 -0.26 -1.11 0.00 0.00 177.39 176.45 1jqj h PHE 273 N 0.00 -0.03 -0.43 1.96 0.05 -1.86 -2.51 116.94 114.12 1jqj h PHE 273 Ca 0.00 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.79 1jqj h PHE 273 Cb 0.03 0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.02 1jqj h PHE 273 CO 0.00 -0.05 0.01 -0.25 -0.18 0.00 0.00 178.31 177.85 1jqj n ASP 274 N -5.16 4.76 0.00 2.17 9.92 -0.84 -3.17 116.55 124.24 1jqj n ASP 274 Ca -0.02 -3.01 -0.20 0.00 -0.53 0.00 0.00 54.79 51.03 1jqj n ASP 274 Cb 0.12 -0.62 -0.14 0.00 -0.64 0.00 0.00 41.12 39.84 1jqj n ASP 274 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1jqj h LYS 275 N 2.82 0.21 -0.00 -1.24 3.11 -1.39 -3.37 116.57 116.72 1jqj h LYS 275 Ca 0.02 -0.35 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 1jqj h LYS 275 Cb 1.75 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 33.11 1jqj h LYS 275 CO 0.38 1.17 -0.30 0.72 -2.81 0.00 0.00 179.45 178.61 1jqj n HIS 276 N -4.17 0.00 -1.00 1.91 8.25 -1.24 -5.01 115.22 113.96 1jqj n HIS 276 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1jqj n HIS 276 Cb 0.78 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.89 1jqj n HIS 276 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1jqj n ARG 277 N -0.93 -0.49 -1.52 -0.41 1.74 -1.19 -4.94 116.66 108.91 1jqj n ARG 277 Ca 0.02 0.12 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 1jqj n ARG 277 Cb 0.13 -3.49 0.00 0.00 -1.02 0.00 0.00 32.46 28.08 1jqj n ARG 277 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1jqj n VAL 278 N -2.75 3.37 -4.76 1.55 0.31 -1.23 -4.94 118.33 109.87 1jqj n VAL 278 Ca 0.00 -3.19 -0.33 0.00 -0.01 0.00 0.00 64.34 60.81 1jqj n VAL 278 Cb 0.12 -1.40 -0.14 0.00 -0.91 0.00 0.00 33.84 31.51 1jqj n VAL 278 CO 0.00 0.00 0.00 -1.66 -1.32 0.00 0.00 176.83 173.85 1jqj s TRP 279 N -2.67 2.82 -1.37 3.52 -0.00 -1.23 -4.86 118.94 115.15 1jqj s TRP 279 Ca 0.54 -0.63 0.00 0.00 -0.00 0.00 0.00 56.10 56.01 1jqj s TRP 279 Cb 0.40 -1.85 0.00 0.00 -0.00 0.00 0.00 33.47 32.02 1jqj s TRP 279 CO -0.23 -0.21 0.00 0.54 -0.00 0.00 0.00 176.95 177.06 1jqj n ARG 282 N 3.53 -1.26 -1.55 3.25 1.74 -1.26 -4.84 116.66 116.26 1jqj n ARG 282 Ca -0.18 0.78 -0.33 0.00 -0.77 0.00 0.00 57.85 57.35 1jqj n ARG 282 Cb 0.53 -5.15 0.03 0.00 -1.02 0.00 0.00 32.46 26.84 1jqj n ARG 282 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1jqj n ARG 283 N -2.52 2.54 0.00 5.56 0.63 -1.26 -4.08 116.66 117.53 1jqj n ARG 283 Ca -0.19 -2.95 0.00 0.00 -0.92 0.00 0.00 57.85 53.79 1jqj n ARG 283 Cb 0.64 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 31.38 1jqj n ARG 283 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jqj n GLY 284 N -0.19 0.00 0.00 5.14 0.00 -1.26 -5.07 105.19 103.81 1jqj n GLY 284 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1jqj n GLY 284 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jqj n MET 285 N 0.00 0.00 -1.71 1.61 2.81 -1.26 -4.55 117.12 114.03 1jqj n MET 285 Ca 0.00 0.26 -0.38 0.00 -1.81 0.00 0.00 57.70 55.77 1jqj n MET 285 Cb 0.00 -0.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.77 1jqj n MET 285 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1jqj n MET 286 N -1.61 4.09 0.00 0.03 2.81 -1.26 -4.24 117.12 116.94 1jqj n MET 286 Ca 0.00 -2.90 0.00 0.00 -1.81 0.00 0.00 57.70 52.99 1jqj n MET 286 Cb 0.00 -2.63 0.00 0.00 -0.71 0.00 0.00 33.22 29.88 1jqj n MET 286 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jqj n GLY 287 N 2.27 0.00 0.29 3.03 0.00 -1.26 -4.73 105.19 104.80 1jqj n GLY 287 Ca 0.66 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.77 1jqj n GLY 287 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jqj h GLU 288 N 0.00 0.13 -0.04 1.61 4.81 -1.87 -0.51 114.58 118.72 1jqj h GLU 288 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1jqj h GLU 288 Cb 0.80 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1jqj h GLU 288 CO 0.00 0.09 -0.18 0.00 -0.73 0.00 0.00 179.01 178.19 1jqj h ALA 289 N 1.90 1.63 0.00 2.92 0.00 -1.85 -2.78 119.26 121.08 1jqj h ALA 289 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jqj h ALA 289 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jqj h ALA 289 CO -0.01 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.79 1jqj n LEU 290 N -4.29 0.48 0.11 0.00 4.77 -0.20 -1.67 117.00 116.20 1jqj n LEU 290 Ca -0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1jqj n LEU 290 Cb 0.26 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1jqj n LEU 290 CO 0.37 0.10 0.00 0.59 -1.33 0.00 0.00 177.39 177.12 1jqj n ASN 291 N 0.41 -1.15 0.00 -1.43 3.02 -1.06 -4.83 115.26 110.22 1jqj n ASN 291 Ca 0.00 0.40 0.06 0.00 -0.03 0.00 0.00 54.58 55.01 1jqj n ASN 291 Cb 0.10 1.23 0.29 0.00 -0.61 0.00 0.00 39.78 40.80 1jqj n ASN 291 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1jqj n ARG 292 N -3.08 0.13 -4.39 3.52 3.00 -1.14 -4.53 116.66 110.18 1jqj n ARG 292 Ca 0.00 0.20 -0.29 0.00 -0.00 0.00 0.00 57.85 57.76 1jqj n ARG 292 Cb 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 30.83 1jqj n ARG 292 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1jqj s LEU 293 N -2.66 2.35 0.34 6.15 0.20 -0.67 -4.99 118.68 119.40 1jqj s LEU 293 Ca 0.10 -0.75 0.09 0.00 0.69 0.00 0.00 54.13 54.26 1jqj s LEU 293 Cb 0.08 -1.24 -0.05 0.00 -0.43 0.00 0.00 46.19 44.55 1jqj s LEU 293 CO 0.19 0.18 0.04 -0.94 -0.29 0.00 0.00 176.35 175.53 1jqj s SER 294 N -2.11 4.30 0.39 3.68 1.04 -1.26 -4.73 113.70 115.01 1jqj s SER 294 Ca 0.15 -0.93 0.22 0.00 0.48 0.00 0.00 55.95 55.86 1jqj s SER 294 Cb -0.10 -0.58 1.28 0.00 0.10 0.00 0.00 66.02 66.71 1jqj s SER 294 CO 0.07 -0.24 1.63 1.56 0.98 0.00 0.00 173.24 177.23 1jqj h GLN 295 N 1.75 0.16 0.00 4.02 4.20 -1.98 -3.04 115.11 120.21 1jqj h GLN 295 Ca -0.43 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1jqj h GLN 295 Cb 1.25 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1jqj h GLN 295 CO 0.66 0.11 0.00 2.41 -0.67 0.00 0.00 178.83 181.33 1jqj n THR 296 N -4.95 0.00 -0.38 -0.54 -1.04 -1.26 -3.42 114.28 102.69 1jqj n THR 296 Ca 0.35 0.37 -0.07 0.00 -2.04 0.00 0.00 64.05 62.65 1jqj n THR 296 Cb 1.22 -1.35 -0.05 0.00 -1.82 0.00 0.00 70.33 68.33 1jqj n THR 296 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jqj n GLN 297 N 0.00 -0.35 -0.30 -2.82 3.00 -1.24 0.41 117.38 116.08 1jqj n GLN 297 Ca 0.00 1.42 0.24 0.00 -0.01 0.00 0.00 57.00 58.65 1jqj n GLN 297 Cb 0.00 -2.09 0.40 0.00 0.00 0.00 0.00 30.24 28.55 1jqj n GLN 297 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1jqj n LEU 298 N -5.23 0.09 -0.09 1.08 7.94 -1.15 0.21 117.00 119.84 1jqj n LEU 298 Ca 0.04 0.74 -0.17 0.00 -1.11 0.00 0.00 56.01 55.51 1jqj n LEU 298 Cb 0.28 -0.36 -0.09 0.00 0.53 0.00 0.00 43.42 43.78 1jqj n LEU 298 CO -0.14 -0.79 -0.42 -0.09 -1.11 0.00 0.00 177.39 174.84 1jqj h ARG 299 N 0.00 0.00 0.00 1.96 2.43 -0.07 -3.31 114.38 115.39 1jqj h ARG 299 Ca 0.51 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.64 1jqj h ARG 299 Cb 1.72 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.27 1jqj h ARG 299 CO -0.21 0.78 -0.16 0.37 -1.51 0.00 0.00 179.97 179.23 1jqj h GLN 300 N -1.00 0.00 -0.49 0.20 4.15 0.48 -0.55 115.11 117.89 1jqj h GLN 300 Ca -0.25 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.18 1jqj h GLN 300 Cb 1.10 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 1jqj h GLN 300 CO -0.15 0.16 0.32 0.00 -1.93 0.00 0.00 178.83 177.23 1jqj h ALA 301 N 1.84 0.62 0.00 3.38 0.00 0.22 1.22 119.26 126.54 1jqj h ALA 301 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jqj h ALA 301 Cb 0.39 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jqj h ALA 301 CO 0.02 0.06 -0.12 0.28 0.00 0.00 0.00 179.25 179.50 1jqj h VAL 302 N 0.66 1.07 0.21 0.00 2.07 -1.22 0.28 116.25 119.31 1jqj h VAL 302 Ca 0.18 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1jqj h VAL 302 Cb -0.07 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1jqj h VAL 302 CO -0.04 0.11 -0.10 1.56 0.02 0.00 0.00 177.57 179.12 1jqj h GLN 303 N 0.00 -0.27 -0.58 1.57 4.20 0.49 -2.32 115.11 118.19 1jqj h GLN 303 Ca -0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1jqj h GLN 303 Cb 0.21 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1jqj h GLN 303 CO 0.02 0.11 0.33 1.37 -0.67 0.00 0.00 178.83 179.99 1jqj h LEU 304 N -0.87 0.70 -1.68 1.46 8.10 0.16 1.47 115.31 124.66 1jqj h LEU 304 Ca -0.03 -0.04 -0.04 0.00 0.11 0.00 0.00 57.88 57.88 1jqj h LEU 304 Cb 0.51 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1jqj h LEU 304 CO 0.05 0.56 -0.19 0.25 -4.11 0.00 0.00 178.44 174.99 1jqj h LEU 305 N 0.81 0.00 0.00 0.17 6.46 -0.50 0.11 115.31 122.35 1jqj h LEU 305 Ca 0.21 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1jqj h LEU 305 Cb -0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1jqj h LEU 305 CO -0.04 0.19 -1.05 0.41 -0.62 0.00 0.00 178.44 177.33 1jqj n THR 306 N -4.03 0.65 0.31 1.05 -1.04 0.75 -3.29 114.28 108.69 1jqj n THR 306 Ca -0.02 -0.56 0.16 0.00 -2.04 0.00 0.00 64.05 61.59 1jqj n THR 306 Cb 0.27 -0.36 0.71 0.00 -1.82 0.00 0.00 70.33 69.13 1jqj n THR 306 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1jqj h ARG 307 N 0.00 0.00 0.00 -2.82 3.08 0.45 -2.69 114.38 112.39 1jqj h ARG 307 Ca -0.01 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.71 1jqj h ARG 307 Cb 1.04 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.03 1jqj h ARG 307 CO 0.00 0.00 -2.24 2.41 -1.07 0.00 0.00 179.97 179.07 1jqj n THR 308 N -2.76 1.25 -0.16 2.04 -1.04 -0.90 -3.52 114.28 109.19 1jqj n THR 308 Ca 0.00 -0.54 0.13 0.00 -2.04 0.00 0.00 64.05 61.60 1jqj n THR 308 Cb 0.22 -1.13 0.46 0.00 -1.82 0.00 0.00 70.33 68.06 1jqj n THR 308 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1jqj h GLU 309 N 0.00 0.49 -0.03 -2.82 -0.00 -1.52 0.42 114.58 111.11 1jqj h GLU 309 Ca -0.49 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 58.83 1jqj h GLU 309 Cb 1.83 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 30.47 1jqj h GLU 309 CO -0.06 0.32 -0.05 -0.07 -0.00 0.00 0.00 179.01 179.16 1jqj h LEU 310 N 0.50 0.09 -2.00 3.06 3.38 -1.67 -2.99 115.31 115.69 1jqj h LEU 310 Ca 0.35 -0.55 0.16 0.00 0.09 0.00 0.00 57.88 57.93 1jqj h LEU 310 Cb 0.67 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1jqj h LEU 310 CO -0.12 0.63 0.46 0.74 0.09 0.00 0.00 178.44 180.24 1jqj h THR 311 N -0.44 0.54 0.00 0.22 2.02 -0.83 1.92 112.91 116.34 1jqj h THR 311 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1jqj h THR 311 Cb 0.61 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1jqj h THR 311 CO 0.01 0.00 0.00 -0.11 0.37 0.00 0.00 175.52 175.79 1jqj n LEU 312 N -4.08 0.00 -0.00 2.58 7.94 0.12 0.16 117.00 123.72 1jqj n LEU 312 Ca 0.11 0.33 0.01 0.00 -1.11 0.00 0.00 56.01 55.35 1jqj n LEU 312 Cb 0.69 -0.33 -0.02 0.00 0.53 0.00 0.00 43.42 44.29 1jqj n LEU 312 CO 0.33 -0.09 -0.08 0.29 -1.11 0.00 0.00 177.39 176.74 1jqj n LYS 313 N -1.33 5.18 0.00 1.96 4.76 0.64 -3.82 118.16 125.55 1jqj n LYS 313 Ca 0.09 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1jqj n LYS 313 Cb 0.19 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 1jqj n LYS 313 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1jqj n GLN 314 N -1.15 2.12 0.00 1.97 6.02 -0.32 -4.73 117.38 121.29 1jqj n GLN 314 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jqj n GLN 314 Cb 0.05 -0.87 0.00 0.00 1.02 0.00 0.00 30.24 30.44 1jqj n GLN 314 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1jqj n ASP 315 N -1.30 1.32 0.00 1.08 8.00 0.41 -5.03 116.55 121.03 1jqj n ASP 315 Ca 0.00 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.95 1jqj n ASP 315 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1jqj n ASP 315 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1jqj n TYR 316 N -0.27 0.00 -4.10 1.24 4.02 0.34 -4.26 117.16 114.13 1jqj n TYR 316 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.60 1jqj n TYR 316 Cb 0.23 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 1jqj n TYR 316 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jqj n GLY 317 N 0.00 -0.24 0.00 2.72 0.00 -1.26 -4.99 105.19 101.42 1jqj n GLY 317 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1jqj n GLY 317 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jqj n GLN 318 N -4.50 0.00 0.00 1.61 6.02 -1.26 -5.19 117.38 114.05 1jqj n GLN 318 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.69 1jqj n GLN 318 Cb 0.68 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.94 1jqj n GLN 318 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jqj n ALA 322 N -3.00 0.00 -0.13 -1.58 0.00 -1.26 -5.14 120.51 109.41 1jqj n ALA 322 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1jqj n ALA 322 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1jqj n ALA 322 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1jqj h GLU 323 N 0.00 0.60 -0.48 0.00 5.08 -2.04 0.64 114.58 118.38 1jqj h GLU 323 Ca 0.00 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1jqj h GLU 323 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1jqj h GLU 323 CO 0.00 0.64 0.24 -0.07 -1.00 0.00 0.00 179.01 178.82 1jqj h LEU 324 N 0.46 0.59 -0.47 1.33 3.38 -2.02 0.81 115.31 119.39 1jqj h LEU 324 Ca 0.12 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1jqj h LEU 324 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1jqj h LEU 324 CO 0.00 0.50 -0.41 -0.08 0.09 0.00 0.00 178.44 178.55 1jqj h GLU 325 N 0.67 0.82 0.13 1.13 4.81 -1.82 -1.32 114.58 118.99 1jqj h GLU 325 Ca 0.17 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1jqj h GLU 325 Cb 0.06 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1jqj h GLU 325 CO -0.02 1.07 -0.06 0.78 -0.73 0.00 0.00 179.01 180.04 1jqj h GLY 326 N 0.87 -0.18 -0.07 1.92 0.00 0.20 -3.04 103.07 102.77 1jqj h GLY 326 Ca 0.05 0.07 0.30 0.00 0.00 0.00 0.00 47.33 47.75 1jqj h GLY 326 CO 0.09 -0.07 0.74 0.17 0.00 0.00 0.00 176.54 177.48 1jqj h LEU 327 N -0.36 0.02 -0.37 3.11 8.10 0.43 0.34 115.31 126.59 1jqj h LEU 327 Ca -0.02 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.90 1jqj h LEU 327 Cb 0.13 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.34 1jqj h LEU 327 CO 0.03 0.01 -0.08 0.77 -4.11 0.00 0.00 178.44 175.05 1jqj h SER 328 N 0.02 0.71 -0.21 0.17 4.64 -1.32 -2.60 113.55 114.96 1jqj h SER 328 Ca 0.50 -0.36 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 1jqj h SER 328 Cb 1.95 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.83 1jqj h SER 328 CO -0.02 0.90 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.71 1jqj h LEU 329 N 0.50 0.53 -2.51 5.97 3.38 -0.25 -2.41 115.31 120.52 1jqj h LEU 329 Ca 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jqj h LEU 329 Cb 0.59 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1jqj h LEU 329 CO 0.03 0.64 -0.02 0.25 0.09 0.00 0.00 178.44 179.43 1jqj h LEU 330 N 0.52 0.00 -2.96 1.67 7.12 -0.82 -2.12 115.31 118.71 1jqj h LEU 330 Ca 0.10 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.94 1jqj h LEU 330 Cb 0.43 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.45 1jqj h LEU 330 CO 0.02 0.02 0.22 0.18 -0.13 0.00 0.00 178.44 178.75 1jqj n LEU 331 N -3.41 4.73 0.00 2.25 4.77 -0.90 -3.85 117.00 120.59 1jqj n LEU 331 Ca -0.02 -2.46 0.00 0.00 -0.03 0.00 0.00 56.01 53.50 1jqj n LEU 331 Cb 0.12 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1jqj n LEU 331 CO 0.25 0.68 -0.08 0.00 -1.33 0.00 0.00 177.39 176.90