#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqy s GLU 2 N 0.00 1.14 -0.90 3.49 8.01 -1.26 -5.05 118.70 124.13 2jqy s GLU 2 Ca 0.00 -0.73 -0.02 0.00 0.01 0.00 0.00 54.97 54.23 2jqy s GLU 2 Cb 0.00 -1.16 0.34 0.00 -4.31 0.00 0.00 34.13 29.01 2jqy s GLU 2 CO 0.00 0.30 1.98 0.54 0.01 0.00 0.00 175.26 178.09 2jqy n ARG 3 N 2.15 3.48 -2.23 1.61 1.74 -1.26 -4.53 116.66 117.62 2jqy n ARG 3 Ca -0.17 -3.83 -0.11 0.00 -0.77 0.00 0.00 57.85 52.98 2jqy n ARG 3 Cb 0.54 -2.32 0.04 0.00 -1.02 0.00 0.00 32.46 29.71 2jqy n ARG 3 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jqy n ASN 4 N -0.41 3.11 -1.34 0.55 5.15 -1.26 -4.74 115.26 116.32 2jqy n ASN 4 Ca 0.52 -2.95 0.02 0.00 -0.60 0.00 0.00 54.58 51.57 2jqy n ASN 4 Cb 0.24 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 2jqy n ASN 4 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2jqy n ASP 5 N -0.62 0.53 -4.55 1.20 8.00 -1.26 -5.05 116.55 114.80 2jqy n ASP 5 Ca 0.25 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.34 2jqy n ASP 5 Cb 0.89 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.75 2jqy n ASP 5 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2jqy s TRP 6 N 0.00 3.12 0.16 1.24 0.52 -1.23 -3.46 118.94 119.29 2jqy s TRP 6 Ca 0.25 0.20 0.11 0.00 0.02 0.00 0.00 56.10 56.68 2jqy s TRP 6 Cb 0.29 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.37 2jqy s TRP 6 CO -0.12 -0.70 -0.24 -1.58 0.02 0.00 0.00 176.95 174.33 2jqy s HIS 7 N 2.72 2.35 -0.09 -1.98 2.46 -1.13 -4.90 115.29 114.72 2jqy s HIS 7 Ca 0.23 -0.35 -0.01 0.00 0.47 0.00 0.00 55.06 55.40 2jqy s HIS 7 Cb -0.14 -1.22 0.03 0.00 -0.13 0.00 0.00 32.58 31.12 2jqy s HIS 7 CO 0.16 0.42 -0.03 0.12 -2.47 0.00 0.00 174.74 172.94 2jqy s PHE 8 N -1.37 1.02 -0.01 3.88 5.36 0.12 -2.78 117.98 124.21 2jqy s PHE 8 Ca 0.18 -0.42 0.03 0.00 -0.96 0.00 0.00 56.93 55.76 2jqy s PHE 8 Cb -0.09 -0.99 -0.01 0.00 -0.34 0.00 0.00 43.02 41.59 2jqy s PHE 8 CO 0.09 -0.41 -0.11 1.21 -1.46 0.00 0.00 175.22 174.54 2jqy s ASN 9 N 1.86 1.25 -0.22 6.13 3.84 -1.12 0.08 114.94 126.76 2jqy s ASN 9 Ca 0.05 -0.19 0.02 0.00 0.21 0.00 0.00 52.86 52.94 2jqy s ASN 9 Cb -0.12 -0.15 0.05 0.00 -0.55 0.00 0.00 41.25 40.47 2jqy s ASN 9 CO -0.07 0.13 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.62 2jqy s ILE 10 N -0.23 1.93 -0.03 -5.21 -1.09 0.13 -1.65 121.20 115.05 2jqy s ILE 10 Ca 0.04 -1.25 -0.01 0.00 -2.23 0.00 0.00 60.65 57.20 2jqy s ILE 10 Cb -0.04 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 2jqy s ILE 10 CO -0.00 0.16 0.05 -0.83 -1.23 0.00 0.00 174.94 173.08 2jqy s GLY 11 N 1.26 1.95 -0.20 6.18 0.00 0.28 -0.77 107.32 116.02 2jqy s GLY 11 Ca -0.03 -0.86 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 2jqy s GLY 11 CO -0.08 -0.69 0.46 0.00 0.00 0.00 0.00 173.10 172.79 2jqy s ALA 12 N -1.08 -1.24 -0.21 3.20 0.00 0.51 -0.66 121.76 122.28 2jqy s ALA 12 Ca 0.19 1.67 -0.03 0.00 0.00 0.00 0.00 51.96 53.79 2jqy s ALA 12 Cb -0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 2jqy s ALA 12 CO 0.09 -0.50 -0.06 -1.64 0.00 0.00 0.00 175.76 173.66 2jqy s MET 13 N 1.96 3.35 0.30 0.00 -1.94 -0.63 0.78 119.30 123.12 2jqy s MET 13 Ca -0.07 -0.64 0.11 0.00 -1.71 0.00 0.00 55.69 53.38 2jqy s MET 13 Cb -0.10 -2.95 -0.05 0.00 2.01 0.00 0.00 34.83 33.74 2jqy s MET 13 CO -0.14 -0.17 -0.13 -0.47 -0.01 0.00 0.00 175.02 174.10 2jqy s TYR 14 N 1.39 2.39 0.15 -0.03 6.14 0.93 -3.06 117.35 125.26 2jqy s TYR 14 Ca 0.05 -0.38 0.10 0.00 0.64 0.00 0.00 57.07 57.49 2jqy s TYR 14 Cb -0.14 -1.17 -0.04 0.00 0.42 0.00 0.00 41.96 41.03 2jqy s TYR 14 CO -0.04 0.65 -0.22 -2.00 0.64 0.00 0.00 175.55 174.58 2jqy s GLU 15 N -3.57 1.60 0.23 4.97 2.12 -1.26 -2.14 118.70 120.64 2jqy s GLU 15 Ca 0.31 -1.35 -0.30 0.00 0.36 0.00 0.00 54.97 53.99 2jqy s GLU 15 Cb -0.03 -1.96 -0.09 0.00 0.26 0.00 0.00 34.13 32.31 2jqy s GLU 15 CO 0.16 0.44 1.06 0.42 -0.54 0.00 0.00 175.26 176.80 2jqy s ILE 16 N -1.33 3.79 -0.41 -3.70 -1.09 -1.26 -4.99 121.20 112.21 2jqy s ILE 16 Ca 0.18 1.70 -0.02 0.00 -2.23 0.00 0.00 60.65 60.28 2jqy s ILE 16 Cb -0.09 -4.08 0.11 0.00 -1.58 0.00 0.00 42.46 36.82 2jqy s ILE 16 CO 0.09 0.36 0.19 -0.70 -1.23 0.00 0.00 174.94 173.65 2jqy s GLU 17 N -0.95 1.96 -0.00 2.79 2.12 -1.26 -4.83 118.70 118.53 2jqy s GLU 17 Ca 0.45 -1.84 0.03 0.00 0.36 0.00 0.00 54.97 53.97 2jqy s GLU 17 Cb -0.29 -3.55 0.05 0.00 0.26 0.00 0.00 34.13 30.60 2jqy s GLU 17 CO 0.36 -1.06 1.02 -1.71 -0.54 0.00 0.00 175.26 173.33 2jqy n ASN 18 N 4.53 -0.79 0.10 -1.70 2.85 -1.26 -4.95 115.26 114.04 2jqy n ASN 18 Ca -0.01 -2.00 -0.18 0.00 -0.11 0.00 0.00 54.58 52.28 2jqy n ASN 18 Cb 0.41 0.24 -0.14 0.00 1.24 0.00 0.00 39.78 41.53 2jqy n ASN 18 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2jqy h VAL 19 N 5.20 1.35 0.00 3.44 -1.51 -1.98 -3.49 116.25 119.26 2jqy h VAL 19 Ca -0.53 -2.92 0.00 0.00 -1.23 0.00 0.00 66.70 62.02 2jqy h VAL 19 Cb 1.46 2.90 0.00 0.00 -2.13 0.00 0.00 31.29 33.52 2jqy h VAL 19 CO -0.25 0.86 0.00 -0.62 -1.23 0.00 0.00 177.57 176.33 2jqy n GLU 20 N -3.53 0.00 0.00 5.19 1.02 -1.26 -5.16 120.64 116.90 2jqy n GLU 20 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2jqy n GLU 20 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.46 2jqy n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jqy n GLY 21 N -1.15 -0.54 3.94 0.62 0.00 -1.26 -5.13 105.19 101.66 2jqy n GLY 21 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2jqy n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jqy s TYR 22 N 0.00 3.50 -5.00 1.61 1.13 -1.26 -5.05 117.35 112.28 2jqy s TYR 22 Ca 0.00 0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.84 2jqy s TYR 22 Cb 0.00 -1.71 0.00 0.00 -1.10 0.00 0.00 41.96 39.15 2jqy s TYR 22 CO 0.00 0.53 0.00 0.41 -2.51 0.00 0.00 175.55 173.98 2jqy n GLY 23 N -0.29 -0.20 2.66 5.49 0.00 -1.26 -5.06 105.19 106.53 2jqy n GLY 23 Ca -0.06 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 2jqy n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jqy s GLU 24 N -2.00 0.95 -0.30 1.61 -1.05 -1.26 -5.09 118.70 111.57 2jqy s GLU 24 Ca 0.00 -1.36 -0.01 0.00 -0.15 0.00 0.00 54.97 53.46 2jqy s GLU 24 Cb 0.00 -0.59 0.19 0.00 -0.44 0.00 0.00 34.13 33.29 2jqy s GLU 24 CO 0.00 -1.33 0.72 0.34 0.95 0.00 0.00 175.26 175.94 2jqy s ASP 25 N 0.72 -1.24 -0.29 0.83 2.15 -1.26 -5.05 116.67 112.52 2jqy s ASP 25 Ca 0.29 0.37 -0.01 0.00 0.43 0.00 0.00 52.55 53.63 2jqy s ASP 25 Cb -0.01 1.88 0.00 0.00 -0.30 0.00 0.00 42.92 44.49 2jqy s ASP 25 CO -0.10 -0.23 0.02 0.23 -0.17 0.00 0.00 175.17 174.92 2jqy n MET 26 N 5.38 -3.53 -2.98 4.34 2.81 -1.26 -5.07 117.12 116.82 2jqy n MET 26 Ca 0.03 2.81 -0.14 0.00 -1.81 0.00 0.00 57.70 58.59 2jqy n MET 26 Cb 0.54 -5.28 -0.02 0.00 -0.71 0.00 0.00 33.22 27.75 2jqy n MET 26 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2jqy n ASP 27 N 0.76 2.34 0.00 7.83 2.03 -1.26 -5.12 116.55 123.14 2jqy n ASP 27 Ca -0.03 -1.95 0.00 0.00 0.52 0.00 0.00 54.79 53.33 2jqy n ASP 27 Cb 0.05 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2jqy n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqy n GLY 28 N 2.18 -0.27 3.67 0.27 0.00 -1.26 -5.14 105.19 104.64 2jqy n GLY 28 Ca -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2jqy n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jqy s LEU 29 N -0.90 -0.17 0.18 0.99 0.05 -1.26 -4.19 118.68 113.39 2jqy s LEU 29 Ca 0.00 -0.24 0.06 0.00 0.05 0.00 0.00 54.13 54.00 2jqy s LEU 29 Cb 0.00 1.86 -0.05 0.00 -2.05 0.00 0.00 46.19 45.96 2jqy s LEU 29 CO 0.00 -0.64 -0.13 0.00 -0.55 0.00 0.00 176.35 175.03 2jqy s ALA 30 N -2.96 1.79 -0.26 1.48 0.00 -1.26 -4.98 121.76 115.58 2jqy s ALA 30 Ca 0.12 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 2jqy s ALA 30 Cb 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2jqy s ALA 30 CO -0.02 0.01 0.11 -1.91 0.00 0.00 0.00 175.76 173.96 2jqy n GLU 31 N -0.27 -4.05 0.04 0.00 0.00 -1.26 -4.87 120.64 110.24 2jqy n GLU 31 Ca -0.09 3.13 -0.08 0.00 0.00 0.00 0.00 57.16 60.11 2jqy n GLU 31 Cb 0.60 -5.29 -0.05 0.00 0.00 0.00 0.00 31.44 26.70 2jqy n GLU 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 2jqy h PRO 32 N 3.54 -0.35 0.00 5.31 0.11 -1.90 -3.47 132.00 135.24 2jqy h PRO 32 Ca -0.26 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2jqy h PRO 32 Cb 0.59 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2jqy h PRO 32 CO 0.06 -0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 176.49 2jqy n SER 33 N -4.02 0.00 -4.19 -2.05 3.41 -1.17 -4.67 113.62 100.93 2jqy n SER 33 Ca -0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.45 2jqy n SER 33 Cb 0.21 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 2jqy n SER 33 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jqy s VAL 34 N -2.06 0.85 0.02 -3.33 1.01 -1.15 -1.60 120.40 114.14 2jqy s VAL 34 Ca 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.08 2jqy s VAL 34 Cb 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2jqy s VAL 34 CO 0.00 -0.76 0.03 -0.47 0.00 0.00 0.00 175.10 173.90 2jqy s TYR 35 N -3.24 0.22 -0.02 5.22 6.14 0.17 -1.05 117.35 124.79 2jqy s TYR 35 Ca 0.11 -0.48 -0.07 0.00 0.64 0.00 0.00 57.07 57.27 2jqy s TYR 35 Cb 0.02 -0.16 0.01 0.00 0.42 0.00 0.00 41.96 42.25 2jqy s TYR 35 CO -0.02 -0.26 0.16 0.12 0.64 0.00 0.00 175.55 176.19 2jqy s PHE 36 N -1.83 -0.05 0.11 4.97 5.36 0.23 0.98 117.98 127.75 2jqy s PHE 36 Ca -0.12 0.09 0.04 0.00 -0.96 0.00 0.00 56.93 55.98 2jqy s PHE 36 Cb -0.07 -0.00 -0.04 0.00 -0.34 0.00 0.00 43.02 42.57 2jqy s PHE 36 CO -0.02 -0.23 -0.10 1.21 -1.46 0.00 0.00 175.22 174.63 2jqy s ASN 37 N -0.89 1.52 -0.30 6.13 2.47 -0.66 -0.90 114.94 122.32 2jqy s ASN 37 Ca -0.10 -0.90 -0.10 0.00 0.42 0.00 0.00 52.86 52.18 2jqy s ASN 37 Cb -0.05 0.01 0.17 0.00 -1.45 0.00 0.00 41.25 39.93 2jqy s ASN 37 CO 0.01 -0.31 0.86 0.00 -3.72 0.00 0.00 177.10 173.95 2jqy s ALA 38 N -2.87 -2.75 -0.17 1.71 0.00 0.22 -2.77 121.76 115.13 2jqy s ALA 38 Ca 0.10 1.82 -0.19 0.00 0.00 0.00 0.00 51.96 53.69 2jqy s ALA 38 Cb -0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 2jqy s ALA 38 CO -0.00 -1.23 0.54 0.00 0.00 0.00 0.00 175.76 175.07 2jqy s ALA 39 N 2.78 3.51 -0.41 0.00 0.00 -1.12 0.13 121.76 126.65 2jqy s ALA 39 Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.75 2jqy s ALA 39 Cb -0.11 -2.81 0.14 0.00 0.00 0.00 0.00 23.12 20.35 2jqy s ALA 39 CO -0.16 -0.31 0.25 1.21 0.00 0.00 0.00 175.76 176.74 2jqy s ASN 40 N 0.98 3.17 1.76 0.00 3.84 -0.53 -2.85 114.94 121.31 2jqy s ASN 40 Ca 0.27 -2.53 0.00 0.00 0.21 0.00 0.00 52.86 50.81 2jqy s ASN 40 Cb -0.16 -0.72 0.00 0.00 -0.55 0.00 0.00 41.25 39.82 2jqy s ASN 40 CO 0.11 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.76 2jqy n GLY 41 N 3.63 3.22 1.17 1.21 0.00 -1.25 -2.22 105.19 110.95 2jqy n GLY 41 Ca 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2jqy n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqy n PRO 42 N 13.52 2.55 -3.62 1.61 -0.04 -1.26 -4.74 135.00 143.01 2jqy n PRO 42 Ca 0.00 -1.36 -0.24 0.00 -0.04 0.00 0.00 63.50 61.85 2jqy n PRO 42 Cb 0.00 -1.79 -0.17 0.00 -0.04 0.00 0.00 33.50 31.50 2jqy n PRO 42 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jqy s TRP 43 N -1.72 0.14 -0.38 0.54 0.52 -0.94 -4.30 118.94 112.79 2jqy s TRP 43 Ca 0.24 -0.14 -0.18 0.00 0.02 0.00 0.00 56.10 56.04 2jqy s TRP 43 Cb 0.19 -0.62 0.01 0.00 -1.15 0.00 0.00 33.47 31.89 2jqy s TRP 43 CO 0.07 -0.42 0.49 1.03 0.02 0.00 0.00 176.95 178.14 2jqy s ARG 44 N 2.15 3.42 -0.28 4.98 3.00 -1.14 -1.45 118.95 129.64 2jqy s ARG 44 Ca 0.03 -0.39 -0.26 0.00 0.00 0.00 0.00 55.73 55.12 2jqy s ARG 44 Cb -0.15 -3.87 0.00 0.00 0.00 0.00 0.00 34.95 30.93 2jqy s ARG 44 CO -0.07 -0.74 0.89 0.42 0.00 0.00 0.00 175.30 175.79 2jqy s ILE 45 N 2.35 4.74 -0.10 1.52 -1.09 0.35 -2.22 121.20 126.75 2jqy s ILE 45 Ca 0.17 1.52 -0.01 0.00 -2.23 0.00 0.00 60.65 60.10 2jqy s ILE 45 Cb -0.16 -4.21 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 2jqy s ILE 45 CO 0.14 -0.22 -0.05 0.00 -1.23 0.00 0.00 174.94 173.58 2jqy s ALA 46 N 3.08 1.12 0.19 9.38 0.00 0.29 0.70 121.76 136.53 2jqy s ALA 46 Ca 0.37 -0.43 0.11 0.00 0.00 0.00 0.00 51.96 52.01 2jqy s ALA 46 Cb -0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2jqy s ALA 46 CO 0.10 -0.47 -0.22 -1.17 0.00 0.00 0.00 175.76 174.01 2jqy s LEU 47 N 1.80 2.45 -0.02 0.00 0.20 -0.07 -0.17 118.68 122.87 2jqy s LEU 47 Ca 0.05 -0.88 -0.09 0.00 0.69 0.00 0.00 54.13 53.90 2jqy s LEU 47 Cb -0.13 -1.08 0.01 0.00 -0.43 0.00 0.00 46.19 44.56 2jqy s LEU 47 CO -0.07 0.08 0.19 0.00 -0.29 0.00 0.00 176.35 176.25 2jqy s ALA 48 N -1.84 -0.46 -0.36 5.97 0.00 -0.62 0.74 121.76 125.20 2jqy s ALA 48 Ca 0.20 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 2jqy s ALA 48 Cb -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 2jqy s ALA 48 CO 0.09 -0.20 0.24 0.71 0.00 0.00 0.00 175.76 176.61 2jqy s TYR 49 N -1.05 3.23 -0.19 0.00 1.51 -0.21 0.76 117.35 121.39 2jqy s TYR 49 Ca -0.11 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 55.51 2jqy s TYR 49 Cb -0.06 -2.48 -0.01 0.00 -0.11 0.00 0.00 41.96 39.30 2jqy s TYR 49 CO 0.02 -0.45 -0.08 0.71 -1.11 0.00 0.00 175.55 174.64 2jqy s TYR 50 N 1.68 2.91 -0.22 2.71 1.51 -1.06 -2.93 117.35 121.95 2jqy s TYR 50 Ca 0.05 -0.91 -0.19 0.00 -1.01 0.00 0.00 57.07 55.01 2jqy s TYR 50 Cb -0.18 -2.02 0.06 0.00 -0.11 0.00 0.00 41.96 39.71 2jqy s TYR 50 CO 0.09 -0.47 0.59 -0.65 -1.11 0.00 0.00 175.55 174.01 2jqy s GLN 51 N 1.14 0.67 -0.09 -0.62 -0.21 -1.26 -2.02 119.66 117.27 2jqy s GLN 51 Ca 0.01 0.86 -0.01 0.00 0.02 0.00 0.00 55.36 56.25 2jqy s GLN 51 Cb -0.14 0.29 0.03 0.00 1.00 0.00 0.00 33.01 34.19 2jqy s GLN 51 CO -0.02 -0.09 -0.03 -1.21 -2.12 0.00 0.00 175.29 171.81 2jqy s GLU 52 N 0.52 0.99 0.00 2.91 2.02 -1.26 -4.94 118.70 118.94 2jqy s GLU 52 Ca -0.02 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.92 2jqy s GLU 52 Cb -0.05 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.98 2jqy s GLU 52 CO -0.02 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.40 2jqy n GLY 53 N 4.99 1.33 3.61 -1.39 0.00 -1.26 -4.96 105.19 107.50 2jqy n GLY 53 Ca -0.10 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2jqy n GLY 53 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jqy s PRO 54 N -1.30 3.73 -0.37 1.61 0.04 -1.26 -4.21 135.00 133.24 2jqy s PRO 54 Ca 0.00 1.12 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 2jqy s PRO 54 Cb 0.00 -3.97 0.01 0.00 0.04 0.00 0.00 34.50 30.58 2jqy s PRO 54 CO 0.00 -1.37 0.32 0.28 0.04 0.00 0.00 177.00 176.27 2jqy n VAL 55 N 6.67-11.14 -2.26 -0.36 0.31 -1.26 -4.91 118.33 105.38 2jqy n VAL 55 Ca 0.16 1.30 -0.42 0.00 -0.01 0.00 0.00 64.34 65.38 2jqy n VAL 55 Cb 0.47 -6.94 -0.03 0.00 -0.91 0.00 0.00 33.84 26.43 2jqy n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jqy s ASP 56 N -2.10 6.93 0.52 4.52 2.15 -1.26 -5.03 116.67 122.41 2jqy s ASP 56 Ca 0.13 2.28 0.03 0.00 0.43 0.00 0.00 52.55 55.43 2jqy s ASP 56 Cb -0.04 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 40.02 2jqy s ASP 56 CO 0.76 -0.54 0.73 -0.31 -0.17 0.00 0.00 175.17 175.65 2jqy s TYR 57 N 0.58 2.72 -0.03 -5.34 1.51 -1.26 -5.12 117.35 110.41 2jqy s TYR 57 Ca 0.59 -0.17 0.07 0.00 -1.01 0.00 0.00 57.07 56.56 2jqy s TYR 57 Cb -0.35 -2.64 -0.02 0.00 -0.11 0.00 0.00 41.96 38.84 2jqy s TYR 57 CO 0.34 -0.80 -0.26 -1.12 -1.11 0.00 0.00 175.55 172.60 2jqy s SER 58 N -4.43 3.05 0.24 2.29 0.01 -1.26 -5.05 113.70 108.55 2jqy s SER 58 Ca 0.57 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2jqy s SER 58 Cb -0.10 -0.50 -0.00 0.00 0.21 0.00 0.00 66.02 65.63 2jqy s SER 58 CO 0.37 0.29 0.01 0.00 0.41 0.00 0.00 173.24 174.33 2jqy n ALA 59 N 2.61 0.22 -1.46 1.44 0.00 -1.26 -5.03 120.51 117.03 2jqy n ALA 59 Ca -0.16 -1.11 -0.26 0.00 0.00 0.00 0.00 53.44 51.90 2jqy n ALA 59 Cb 0.51 0.63 -0.07 0.00 0.00 0.00 0.00 19.45 20.52 2jqy n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqy n GLY 60 N 1.81 4.21 2.58 0.00 0.00 -1.26 -4.69 105.19 107.85 2jqy n GLY 60 Ca -0.09 -1.78 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 2jqy n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jqy n LYS 61 N 1.35 -2.57 -3.56 1.61 4.76 -1.26 -4.93 118.16 113.56 2jqy n LYS 61 Ca 0.50 0.92 0.01 0.00 -2.87 0.00 0.00 58.31 56.88 2jqy n LYS 61 Cb 0.57 -5.63 -0.06 0.00 -1.84 0.00 0.00 35.03 28.07 2jqy n LYS 61 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2jqy s ARG 62 N -5.23 0.20 0.00 1.97 3.52 -1.26 -5.16 118.95 112.98 2jqy s ARG 62 Ca 0.08 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 2jqy s ARG 62 Cb -0.04 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 2jqy s ARG 62 CO 0.10 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.96 2jqy n GLY 63 N 3.72 -0.72 3.10 8.12 0.00 -1.26 -4.91 105.19 113.24 2jqy n GLY 63 Ca -0.15 -1.61 -0.00 0.00 0.00 0.00 0.00 46.02 44.25 2jqy n GLY 63 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jqy n THR 64 N -0.39 -3.41 -3.54 2.61 5.66 -1.26 -4.78 114.28 109.16 2jqy n THR 64 Ca 0.00 0.66 0.01 0.00 -3.05 0.00 0.00 64.05 61.67 2jqy n THR 64 Cb 0.00 -3.52 -0.06 0.00 -1.55 0.00 0.00 70.33 65.21 2jqy n THR 64 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 2jqy s TRP 65 N -0.92 -0.25 0.35 1.09 1.48 -1.26 -4.77 118.94 114.67 2jqy s TRP 65 Ca -0.01 0.48 0.04 0.00 -1.06 0.00 0.00 56.10 55.56 2jqy s TRP 65 Cb 0.00 0.15 -0.06 0.00 -1.16 0.00 0.00 33.47 32.40 2jqy s TRP 65 CO 0.12 -0.13 0.06 -0.59 -4.06 0.00 0.00 176.95 172.35 2jqy s PHE 66 N 1.44 2.02 0.23 1.66 -0.12 -1.26 -3.49 117.98 118.46 2jqy s PHE 66 Ca -0.06 -0.95 0.00 0.00 -0.05 0.00 0.00 56.93 55.86 2jqy s PHE 66 Cb -0.03 -1.36 0.00 0.00 -0.63 0.00 0.00 43.02 41.01 2jqy s PHE 66 CO -0.13 0.05 0.00 -0.25 -0.05 0.00 0.00 175.22 174.84 2jqy n ASP 67 N -0.82 -7.81 -3.65 1.98 8.00 -0.85 -4.89 116.55 108.52 2jqy n ASP 67 Ca -0.04 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.55 2jqy n ASP 67 Cb 0.66 -3.05 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 2jqy n ASP 67 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jqy s ARG 68 N -1.55 0.65 0.00 -1.24 0.52 -0.86 -4.95 118.95 111.53 2jqy s ARG 68 Ca 0.00 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2jqy s ARG 68 Cb 0.00 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.67 2jqy s ARG 68 CO 0.00 -0.30 0.00 -2.30 0.02 0.00 0.00 175.30 172.72 2jqy n PRO 69 N -0.61 0.84 -3.69 3.54 -0.02 -1.26 -2.56 135.00 131.24 2jqy n PRO 69 Ca -0.05 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.33 2jqy n PRO 69 Cb 0.61 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.99 2jqy n PRO 69 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jqy s GLU 70 N -0.24 0.49 0.33 -0.52 2.02 0.23 -4.16 118.70 116.85 2jqy s GLU 70 Ca 0.00 0.83 -0.07 0.00 0.02 0.00 0.00 54.97 55.75 2jqy s GLU 70 Cb 0.00 0.08 -0.06 0.00 0.10 0.00 0.00 34.13 34.26 2jqy s GLU 70 CO 0.00 -0.13 0.64 -0.51 0.02 0.00 0.00 175.26 175.27 2jqy s LEU 71 N 1.13 3.97 -0.24 1.80 1.02 -1.05 -1.58 118.68 123.74 2jqy s LEU 71 Ca -0.07 0.88 -0.17 0.00 0.02 0.00 0.00 54.13 54.78 2jqy s LEU 71 Cb -0.06 -3.72 0.07 0.00 0.02 0.00 0.00 46.19 42.49 2jqy s LEU 71 CO -0.10 -0.27 0.60 -0.70 0.02 0.00 0.00 176.35 175.90 2jqy s GLU 72 N -3.65 0.66 0.03 1.70 2.12 0.77 -0.12 118.70 120.21 2jqy s GLU 72 Ca 0.47 0.97 0.02 0.00 0.36 0.00 0.00 54.97 56.79 2jqy s GLU 72 Cb -0.11 0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 2jqy s GLU 72 CO 0.30 -0.12 -0.07 0.14 -0.54 0.00 0.00 175.26 174.97 2jqy s VAL 73 N 0.97 0.52 -0.11 3.70 -7.23 0.28 -0.54 120.40 117.98 2jqy s VAL 73 Ca -0.05 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 2jqy s VAL 73 Cb -0.05 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 2jqy s VAL 73 CO -0.09 -0.29 -0.19 -2.28 -0.31 0.00 0.00 175.10 171.95 2jqy s HIS 74 N -1.14 2.67 -0.32 2.82 2.46 -0.94 -0.82 115.29 120.01 2jqy s HIS 74 Ca -0.08 -0.84 0.01 0.00 0.47 0.00 0.00 55.06 54.62 2jqy s HIS 74 Cb -0.09 -1.76 0.10 0.00 -0.13 0.00 0.00 32.58 30.70 2jqy s HIS 74 CO 0.00 -0.31 0.07 -0.47 -2.47 0.00 0.00 174.74 171.56 2jqy s TYR 75 N 0.31 2.52 -0.37 3.88 6.14 -0.74 -2.89 117.35 126.19 2jqy s TYR 75 Ca -0.14 -2.21 -0.20 0.00 0.64 0.00 0.00 57.07 55.16 2jqy s TYR 75 Cb -0.17 -2.16 0.01 0.00 0.42 0.00 0.00 41.96 40.06 2jqy s TYR 75 CO 0.07 -0.90 0.61 -0.65 0.64 0.00 0.00 175.55 175.33 2jqy s GLN 76 N 1.34 3.57 0.00 4.97 -0.21 -1.26 -1.70 119.66 126.36 2jqy s GLN 76 Ca 0.09 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.38 2jqy s GLN 76 Cb -0.18 -3.84 0.00 0.00 1.00 0.00 0.00 33.01 29.99 2jqy s GLN 76 CO -0.17 -0.79 0.85 0.34 -2.12 0.00 0.00 175.29 173.40 2jqy n PHE 77 N 6.04 0.00 -4.71 0.91 7.35 0.29 -4.72 117.46 122.62 2jqy n PHE 77 Ca -0.02 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.34 2jqy n PHE 77 Cb 0.48 -0.35 -0.15 0.00 0.35 0.00 0.00 39.48 39.82 2jqy n PHE 77 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2jqy s LEU 78 N -3.15 2.63 -0.55 -2.13 1.43 -1.24 -5.01 118.68 110.66 2jqy s LEU 78 Ca 0.00 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 2jqy s LEU 78 Cb 0.00 -1.59 0.09 0.00 0.03 0.00 0.00 46.19 44.72 2jqy s LEU 78 CO 0.00 0.14 0.61 -0.70 0.23 0.00 0.00 176.35 176.63 2jqy s GLU 79 N 0.51 3.05 0.18 1.70 2.56 -1.26 -3.60 118.70 121.83 2jqy s GLU 79 Ca -0.09 -1.28 -0.18 0.00 0.00 0.00 0.00 54.97 53.42 2jqy s GLU 79 Cb -0.16 -4.21 0.03 0.00 2.00 0.00 0.00 34.13 31.79 2jqy s GLU 79 CO 0.04 -1.36 0.52 -0.80 -0.56 0.00 0.00 175.26 173.11 2jqy s ASN 80 N 3.25 -0.30 -0.11 -1.70 0.01 -1.26 -5.03 114.94 109.80 2jqy s ASN 80 Ca 0.10 -0.40 0.12 0.00 -0.71 0.00 0.00 52.86 51.97 2jqy s ASN 80 Cb -0.24 0.57 0.55 0.00 0.41 0.00 0.00 41.25 42.54 2jqy s ASN 80 CO 0.07 -1.02 1.40 -0.67 -1.51 0.00 0.00 177.10 175.36 2jqy n ASP 81 N -0.33 3.85 -0.01 -1.22 2.03 -1.26 -3.99 116.55 115.62 2jqy n ASP 81 Ca -0.12 -2.43 -0.01 0.00 0.52 0.00 0.00 54.79 52.76 2jqy n ASP 81 Cb 0.63 -0.53 -0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2jqy n ASP 81 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jqy n ASP 82 N 0.67 2.76 -3.33 1.67 9.92 -1.26 -4.24 116.55 122.75 2jqy n ASP 82 Ca 0.19 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.25 2jqy n ASP 82 Cb 0.76 -0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 41.13 2jqy n ASP 82 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2jqy s PHE 83 N -2.02 0.07 -0.38 1.24 0.08 -1.25 -2.61 117.98 113.10 2jqy s PHE 83 Ca -0.02 -1.29 -0.17 0.00 0.12 0.00 0.00 56.93 55.57 2jqy s PHE 83 Cb 0.00 -0.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.92 2jqy s PHE 83 CO 0.02 -0.94 0.45 0.45 -0.10 0.00 0.00 175.22 175.10 2jqy s SER 84 N 0.99 6.23 -0.19 1.36 0.15 -0.31 -4.54 113.70 117.38 2jqy s SER 84 Ca 0.22 -0.36 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 2jqy s SER 84 Cb -0.11 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2jqy s SER 84 CO -0.06 -0.50 -0.11 -0.36 1.20 0.00 0.00 173.24 173.41 2jqy s PHE 85 N 2.22 2.88 0.11 3.44 0.08 -1.24 -0.30 117.98 125.17 2jqy s PHE 85 Ca 0.14 -1.13 0.03 0.00 0.12 0.00 0.00 56.93 56.08 2jqy s PHE 85 Cb -0.16 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2jqy s PHE 85 CO 0.13 -0.59 0.10 0.41 -0.10 0.00 0.00 175.22 175.17 2jqy n GLY 86 N 4.57 3.62 3.56 4.36 0.00 0.29 0.10 105.19 121.70 2jqy n GLY 86 Ca -0.19 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.05 2jqy n GLY 86 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jqy s LEU 87 N 0.00 -0.92 -0.57 0.99 0.05 -0.69 0.10 118.68 117.65 2jqy s LEU 87 Ca 0.14 1.42 -0.16 0.00 0.05 0.00 0.00 54.13 55.57 2jqy s LEU 87 Cb 0.01 2.12 0.14 0.00 -2.05 0.00 0.00 46.19 46.40 2jqy s LEU 87 CO 0.10 -0.23 0.53 -0.89 -0.55 0.00 0.00 176.35 175.31 2jqy s THR 88 N 2.30 5.25 -0.13 5.48 2.01 -0.69 -1.79 115.64 128.07 2jqy s THR 88 Ca -0.07 -1.60 -0.11 0.00 0.31 0.00 0.00 61.69 60.22 2jqy s THR 88 Cb -0.09 -4.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 2jqy s THR 88 CO -0.18 -0.89 0.24 -0.83 -0.69 0.00 0.00 174.62 172.27 2jqy s GLY 89 N 3.45 2.21 0.09 4.40 0.00 -0.00 -1.86 107.32 115.60 2jqy s GLY 89 Ca 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 2jqy s GLY 89 CO 0.02 0.08 0.02 -0.32 0.00 0.00 0.00 173.10 172.90 2jqy s GLY 90 N -0.27 0.73 -0.19 0.20 0.00 0.11 1.00 107.32 108.90 2jqy s GLY 90 Ca 0.16 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 2jqy s GLY 90 CO 0.04 -1.33 -0.13 -0.12 0.00 0.00 0.00 173.10 171.56 2jqy s PHE 91 N -3.99 2.85 -0.29 1.90 5.36 0.83 -1.61 117.98 123.02 2jqy s PHE 91 Ca 0.16 -1.21 -0.11 0.00 -0.96 0.00 0.00 56.93 54.81 2jqy s PHE 91 Cb 0.08 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.74 2jqy s PHE 91 CO -0.04 -0.62 0.18 0.50 -1.46 0.00 0.00 175.22 173.78 2jqy s ARG 92 N 1.23 3.73 -0.48 10.12 3.52 0.10 -2.54 118.95 134.64 2jqy s ARG 92 Ca 0.03 -0.46 -0.05 0.00 -0.13 0.00 0.00 55.73 55.11 2jqy s ARG 92 Cb -0.14 -3.63 0.13 0.00 -1.56 0.00 0.00 34.95 29.74 2jqy s ARG 92 CO -0.06 -0.27 0.30 1.21 -0.81 0.00 0.00 175.30 175.68 2jqy s ASN 93 N 1.71 5.43 -0.16 -2.12 3.04 -1.26 -1.95 114.94 119.64 2jqy s ASN 93 Ca 0.06 -2.16 -0.01 0.00 0.04 0.00 0.00 52.86 50.79 2jqy s ASN 93 Cb -0.16 -1.90 -0.01 0.00 -1.54 0.00 0.00 41.25 37.64 2jqy s ASN 93 CO 0.09 -0.56 -0.10 -0.47 -3.04 0.00 0.00 177.10 173.02 2jqy s TYR 94 N 0.97 2.87 0.00 0.43 6.14 -1.00 -4.04 117.35 122.71 2jqy s TYR 94 Ca 0.09 -0.74 0.00 0.00 0.64 0.00 0.00 57.07 57.06 2jqy s TYR 94 Cb -0.23 -1.92 0.00 0.00 0.42 0.00 0.00 41.96 40.23 2jqy s TYR 94 CO -0.03 -0.31 0.00 0.41 0.64 0.00 0.00 175.55 176.26 2jqy n GLY 95 N 3.90 0.09 3.28 8.97 0.00 -1.26 -1.27 105.19 118.90 2jqy n GLY 95 Ca -0.18 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 2jqy n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqy s TYR 96 N -2.00 2.46 0.58 1.61 2.02 -0.89 -2.01 117.35 119.11 2jqy s TYR 96 Ca 0.00 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 2jqy s TYR 96 Cb 0.00 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 2jqy s TYR 96 CO 0.00 -0.20 0.00 0.72 -1.57 0.00 0.00 175.55 174.50 2jqy n HIS 97 N 2.93 -3.83 0.00 2.71 8.25 -1.23 -1.84 115.22 122.21 2jqy n HIS 97 Ca -0.17 2.08 0.00 0.00 -0.26 0.00 0.00 57.72 59.37 2jqy n HIS 97 Cb 0.52 -3.49 0.00 0.00 1.12 0.00 0.00 29.99 28.14 2jqy n HIS 97 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2jqy n TYR 98 N -4.34 -0.02 -0.74 4.41 4.19 -1.25 -4.58 117.16 114.82 2jqy n TYR 98 Ca -0.08 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 60.81 2jqy n TYR 98 Cb 0.69 0.28 0.14 0.00 0.49 0.00 0.00 39.34 40.94 2jqy n TYR 98 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 2jqy n VAL 99 N -2.05 0.00 -1.36 2.97 0.31 -1.26 -4.82 118.33 112.12 2jqy n VAL 99 Ca 0.00 -0.16 -0.32 0.00 -0.01 0.00 0.00 64.34 63.85 2jqy n VAL 99 Cb 0.00 -0.72 -0.06 0.00 -0.91 0.00 0.00 33.84 32.15 2jqy n VAL 99 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2jqy n ASP 100 N -2.18 7.67 -3.42 4.52 9.92 -1.26 -4.65 116.55 127.15 2jqy n ASP 100 Ca 0.07 -2.69 -0.26 0.00 -0.53 0.00 0.00 54.79 51.38 2jqy n ASP 100 Cb 0.54 -1.47 -0.09 0.00 -0.64 0.00 0.00 41.12 39.46 2jqy n ASP 100 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2jqy n GLU 101 N 2.83 1.64 -1.67 -1.24 2.13 -1.26 -5.10 120.64 117.97 2jqy n GLU 101 Ca 0.66 -4.06 -0.52 0.00 0.66 0.00 0.00 57.16 53.90 2jqy n GLU 101 Cb 0.42 -1.89 -0.06 0.00 0.27 0.00 0.00 31.44 30.18 2jqy n GLU 101 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2jqy n PRO 102 N 1.39 1.60 -2.73 5.31 -0.02 -1.26 -4.91 135.00 134.37 2jqy n PRO 102 Ca 0.26 0.58 -0.05 0.00 -2.02 0.00 0.00 63.50 62.27 2jqy n PRO 102 Cb 0.44 -2.31 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 2jqy n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jqy n GLY 103 N 3.69 -0.71 2.57 -1.23 0.00 -1.26 -4.95 105.19 103.30 2jqy n GLY 103 Ca 0.22 0.56 -0.07 0.00 0.00 0.00 0.00 46.02 46.73 2jqy n GLY 103 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jqy n LYS 104 N 2.22 -2.67 -3.13 1.61 2.85 -1.26 -4.82 118.16 112.96 2jqy n LYS 104 Ca 0.11 0.25 0.01 0.00 -1.05 0.00 0.00 58.31 57.64 2jqy n LYS 104 Cb 0.62 -4.80 -0.01 0.00 -0.65 0.00 0.00 35.03 30.19 2jqy n LYS 104 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jqy s ASP 105 N -2.08 -1.33 -0.29 -5.58 1.01 -1.26 -5.14 116.67 102.01 2jqy s ASP 105 Ca 0.04 -0.62 -0.13 0.00 0.71 0.00 0.00 52.55 52.54 2jqy s ASP 105 Cb -0.02 1.70 0.11 0.00 1.01 0.00 0.00 42.92 45.72 2jqy s ASP 105 CO 0.05 -0.15 0.72 -0.89 0.21 0.00 0.00 175.17 175.11 2jqy s THR 106 N 1.92 -0.47 -0.20 -1.27 2.01 -1.24 -4.40 115.64 112.00 2jqy s THR 106 Ca 0.16 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.88 2jqy s THR 106 Cb -0.03 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.58 2jqy s THR 106 CO -0.09 0.00 0.85 0.00 -0.69 0.00 0.00 174.62 174.69 2jqy s ALA 107 N 2.22 -1.86 -0.27 7.40 0.00 -0.77 -4.77 121.76 123.71 2jqy s ALA 107 Ca -0.08 1.73 -0.01 0.00 0.00 0.00 0.00 51.96 53.61 2jqy s ALA 107 Cb -0.08 -0.87 0.14 0.00 0.00 0.00 0.00 23.12 22.31 2jqy s ALA 107 CO -0.19 -0.31 0.37 1.21 0.00 0.00 0.00 175.76 176.84 2jqy s ASN 108 N -0.34 0.59 -0.06 0.00 2.47 -1.26 -2.10 114.94 114.25 2jqy s ASN 108 Ca -0.02 -0.20 0.02 0.00 0.42 0.00 0.00 52.86 53.07 2jqy s ASN 108 Cb -0.03 0.98 0.02 0.00 -1.45 0.00 0.00 41.25 40.76 2jqy s ASN 108 CO 0.01 -0.34 -0.09 -0.04 -3.72 0.00 0.00 177.10 172.92 2jqy s MET 109 N 2.50 1.38 0.07 0.43 -1.94 -0.40 -4.38 119.30 116.97 2jqy s MET 109 Ca 0.11 -0.30 0.01 0.00 -1.71 0.00 0.00 55.69 53.80 2jqy s MET 109 Cb -0.14 -1.20 -0.04 0.00 2.01 0.00 0.00 34.83 35.46 2jqy s MET 109 CO -0.24 -0.02 0.19 -0.65 -0.01 0.00 0.00 175.02 174.28 2jqy s GLN 110 N 0.78 3.32 -0.13 2.03 -0.21 -0.10 -2.37 119.66 122.98 2jqy s GLN 110 Ca -0.13 -0.51 -0.05 0.00 0.02 0.00 0.00 55.36 54.69 2jqy s GLN 110 Cb -0.15 -2.96 0.06 0.00 1.00 0.00 0.00 33.01 30.96 2jqy s GLN 110 CO 0.02 0.59 0.27 0.50 -2.12 0.00 0.00 175.29 174.56 2jqy s ARG 111 N -2.55 0.17 -0.22 2.91 3.52 -0.82 -2.70 118.95 119.26 2jqy s ARG 111 Ca 0.34 0.74 -0.19 0.00 -0.13 0.00 0.00 55.73 56.49 2jqy s ARG 111 Cb -0.13 -0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.21 2jqy s ARG 111 CO 0.27 -0.27 0.55 -0.46 -0.81 0.00 0.00 175.30 174.58 2jqy s TRP 112 N 2.29 3.34 -0.32 5.12 -0.00 -1.13 -0.72 118.94 127.52 2jqy s TRP 112 Ca -0.00 0.77 -0.02 0.00 -0.00 0.00 0.00 56.10 56.84 2jqy s TRP 112 Cb -0.12 -2.72 0.06 0.00 -0.00 0.00 0.00 33.47 30.69 2jqy s TRP 112 CO -0.09 -0.17 0.05 0.21 -0.00 0.00 0.00 176.95 176.94 2jqy s LYS 113 N 1.91 2.37 0.06 5.86 2.36 -0.64 -2.23 119.74 129.44 2jqy s LYS 113 Ca 0.24 -1.35 0.08 0.00 -2.55 0.00 0.00 55.97 52.39 2jqy s LYS 113 Cb -0.16 -3.28 -0.03 0.00 -1.05 0.00 0.00 37.83 33.31 2jqy s LYS 113 CO 0.09 -0.70 -0.18 0.96 1.55 0.00 0.00 175.35 177.07 2jqy s ILE 114 N 1.25 2.80 -0.35 5.43 -4.36 -1.15 0.09 121.20 124.90 2jqy s ILE 114 Ca -0.02 -1.27 0.01 0.00 -0.26 0.00 0.00 60.65 59.10 2jqy s ILE 114 Cb -0.20 -2.20 0.14 0.00 1.25 0.00 0.00 42.46 41.45 2jqy s ILE 114 CO -0.01 0.28 0.25 0.00 0.24 0.00 0.00 174.94 175.70 2jqy s ALA 115 N -0.98 0.48 -0.87 2.27 0.00 -0.78 -2.48 121.76 119.40 2jqy s ALA 115 Ca 0.15 -1.52 -0.24 0.00 0.00 0.00 0.00 51.96 50.36 2jqy s ALA 115 Cb -0.10 -1.72 -0.18 0.00 0.00 0.00 0.00 23.12 21.12 2jqy s ALA 115 CO 0.06 -2.08 2.24 -2.30 0.00 0.00 0.00 175.76 173.69 2jqy n PRO 116 N 4.22 0.34 -1.57 0.00 -0.02 -1.24 -1.71 135.00 135.02 2jqy n PRO 116 Ca 0.10 -1.02 -0.41 0.00 -2.02 0.00 0.00 63.50 60.15 2jqy n PRO 116 Cb 0.40 -3.45 -0.03 0.00 -0.02 0.00 0.00 33.50 30.39 2jqy n PRO 116 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jqy n ASP 117 N 17.54 2.81 -4.58 2.55 2.03 0.29 -4.36 116.55 132.83 2jqy n ASP 117 Ca 0.45 -0.05 -0.34 0.00 0.52 0.00 0.00 54.79 55.37 2jqy n ASP 117 Cb 0.42 -1.54 -0.11 0.00 -0.72 0.00 0.00 41.12 39.17 2jqy n ASP 117 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2jqy s TRP 118 N 9.71 3.11 -0.03 -0.67 0.52 -0.78 0.11 118.94 130.90 2jqy s TRP 118 Ca 1.01 -0.08 0.00 0.00 0.02 0.00 0.00 56.10 57.05 2jqy s TRP 118 Cb -0.32 -1.94 0.03 0.00 -1.15 0.00 0.00 33.47 30.09 2jqy s TRP 118 CO 0.33 0.14 0.01 0.34 0.02 0.00 0.00 176.95 177.79 2jqy s ASP 119 N 0.03 0.46 -0.29 2.95 -1.08 0.59 -1.63 116.67 117.70 2jqy s ASP 119 Ca 0.02 -0.01 -0.03 0.00 -0.52 0.00 0.00 52.55 52.02 2jqy s ASP 119 Cb -0.13 -0.19 0.10 0.00 -1.46 0.00 0.00 42.92 41.23 2jqy s ASP 119 CO 0.02 -0.12 0.11 -0.69 0.52 0.00 0.00 175.17 175.01 2jqy s VAL 120 N 1.17 0.37 0.16 1.11 1.01 -0.37 -1.16 120.40 122.70 2jqy s VAL 120 Ca -0.08 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 60.97 2jqy s VAL 120 Cb -0.13 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2jqy s VAL 120 CO -0.02 -0.66 -0.16 -0.75 0.00 0.00 0.00 175.10 173.50 2jqy s LYS 121 N 1.88 1.23 -0.79 2.72 2.36 -1.07 -1.40 119.74 124.67 2jqy s LYS 121 Ca 0.09 -1.41 0.00 0.00 -2.55 0.00 0.00 55.97 52.09 2jqy s LYS 121 Cb -0.17 -1.18 0.00 0.00 -1.05 0.00 0.00 37.83 35.44 2jqy s LYS 121 CO -0.29 0.23 0.00 -0.11 1.55 0.00 0.00 175.35 176.72 2jqy n LEU 122 N 0.19 -1.34 -0.08 5.43 0.00 -1.26 -4.13 117.00 115.81 2jqy n LEU 122 Ca -0.12 0.01 -0.12 0.00 0.00 0.00 0.00 56.01 55.78 2jqy n LEU 122 Cb 0.58 -1.55 -0.15 0.00 0.00 0.00 0.00 43.42 42.31 2jqy n LEU 122 CO 0.30 -0.13 -1.05 0.35 0.00 0.00 0.00 177.39 176.86 2jqy n THR 123 N -3.89 1.48 0.00 1.96 -2.24 -1.26 -5.00 114.28 105.33 2jqy n THR 123 Ca -0.11 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2jqy n THR 123 Cb 0.55 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2jqy n THR 123 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jqy n ASP 124 N -2.97 0.00 -0.67 3.42 8.00 -1.26 -5.03 116.55 118.03 2jqy n ASP 124 Ca -0.32 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.14 2jqy n ASP 124 Cb 1.10 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 42.22 2jqy n ASP 124 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2jqy n ASP 125 N -1.18 -0.44 -3.95 -2.24 5.75 -1.26 -5.14 116.55 108.10 2jqy n ASP 125 Ca 0.00 -1.23 -0.09 0.00 -0.01 0.00 0.00 54.79 53.45 2jqy n ASP 125 Cb 0.00 0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 40.12 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jqy s LEU 126 N 0.00 1.96 -0.38 -2.12 2.96 -1.26 -4.94 118.68 114.90 2jqy s LEU 126 Ca 0.00 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 2jqy s LEU 126 Cb 0.00 0.41 0.02 0.00 0.50 0.00 0.00 46.19 47.12 2jqy s LEU 126 CO 0.00 -0.41 0.24 -0.13 -1.32 0.00 0.00 176.35 174.73 2jqy s ARG 127 N -2.02 2.98 0.01 1.98 0.52 -0.76 -4.59 118.95 117.08 2jqy s ARG 127 Ca -0.10 -0.99 -0.18 0.00 -0.52 0.00 0.00 55.73 53.94 2jqy s ARG 127 Cb -0.05 -3.81 -0.06 0.00 0.52 0.00 0.00 34.95 31.55 2jqy s ARG 127 CO -0.02 -0.67 0.50 0.12 0.02 0.00 0.00 175.30 175.26 2jqy s PHE 128 N 1.62 3.72 -0.09 -0.53 2.19 -0.49 -1.50 117.98 122.90 2jqy s PHE 128 Ca 0.04 1.12 -0.03 0.00 0.33 0.00 0.00 56.93 58.38 2jqy s PHE 128 Cb -0.19 -2.45 0.05 0.00 -1.31 0.00 0.00 43.02 39.12 2jqy s PHE 128 CO 0.08 0.52 0.15 1.21 1.83 0.00 0.00 175.22 179.01 2jqy s ASN 129 N -0.74 0.92 -0.10 6.13 2.47 -0.23 -1.23 114.94 122.16 2jqy s ASN 129 Ca 0.27 0.22 -0.03 0.00 0.42 0.00 0.00 52.86 53.74 2jqy s ASN 129 Cb -0.18 0.20 -0.04 0.00 -1.45 0.00 0.00 41.25 39.79 2jqy s ASN 129 CO 0.16 -0.26 0.04 -0.83 -3.72 0.00 0.00 177.10 172.49 2jqy s GLY 130 N 2.27 1.94 -0.06 1.21 0.00 -0.65 -0.50 107.32 111.53 2jqy s GLY 130 Ca 0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 2jqy s GLY 130 CO -0.06 -0.51 0.03 -0.98 0.00 0.00 0.00 173.10 171.58 2jqy s TRP 131 N -0.91 0.39 -0.35 1.90 0.52 -0.23 -1.87 118.94 118.39 2jqy s TRP 131 Ca 0.14 0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.31 2jqy s TRP 131 Cb -0.12 -0.65 0.10 0.00 -1.15 0.00 0.00 33.47 31.66 2jqy s TRP 131 CO 0.03 -0.26 0.08 -0.51 0.02 0.00 0.00 176.95 176.30 2jqy s LEU 132 N 2.03 4.36 -0.45 2.99 1.43 -1.25 0.12 118.68 127.90 2jqy s LEU 132 Ca 0.05 -2.17 -0.24 0.00 -1.03 0.00 0.00 54.13 50.74 2jqy s LEU 132 Cb -0.12 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2jqy s LEU 132 CO -0.04 -0.37 0.82 -0.55 0.23 0.00 0.00 176.35 176.44 2jqy s SER 133 N 0.88 6.44 -0.20 2.29 0.15 0.19 -3.72 113.70 119.74 2jqy s SER 133 Ca 0.11 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.70 2jqy s SER 133 Cb -0.19 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 2jqy s SER 133 CO -0.09 -0.95 -0.06 -0.32 1.20 0.00 0.00 173.24 173.01 2jqy s MET 134 N 3.42 3.41 -0.18 5.44 1.75 -1.04 0.05 119.30 132.15 2jqy s MET 134 Ca 0.32 -0.63 -0.07 0.00 -1.25 0.00 0.00 55.69 54.07 2jqy s MET 134 Cb -0.12 -2.92 -0.04 0.00 2.84 0.00 0.00 34.83 34.59 2jqy s MET 134 CO 0.24 -0.08 0.04 0.71 -0.65 0.00 0.00 175.02 175.28 2jqy s TYR 135 N 1.15 3.18 -0.48 4.11 2.02 0.27 -2.95 117.35 124.64 2jqy s TYR 135 Ca 0.02 -0.07 -0.07 0.00 -0.37 0.00 0.00 57.07 56.57 2jqy s TYR 135 Cb -0.14 -2.07 0.12 0.00 -0.40 0.00 0.00 41.96 39.47 2jqy s TYR 135 CO -0.01 0.05 0.34 0.21 -1.57 0.00 0.00 175.55 174.57 2jqy s LYS 136 N 0.51 2.42 -0.02 -0.62 2.20 -0.95 -1.95 119.74 121.34 2jqy s LYS 136 Ca 0.02 -1.86 -0.30 0.00 -0.36 0.00 0.00 55.97 53.46 2jqy s LYS 136 Cb -0.13 -3.86 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 2jqy s LYS 136 CO 0.01 -1.17 1.05 0.12 -0.36 0.00 0.00 175.35 175.00 2jqy s PHE 137 N 1.16 3.54 -0.27 4.03 2.19 -0.72 -2.85 117.98 125.06 2jqy s PHE 137 Ca 0.08 1.56 -0.20 0.00 0.33 0.00 0.00 56.93 58.70 2jqy s PHE 137 Cb -0.24 -3.22 0.07 0.00 -1.31 0.00 0.00 43.02 38.32 2jqy s PHE 137 CO -0.02 -0.40 0.69 0.00 1.83 0.00 0.00 175.22 177.32 2jqy s ALA 138 N 1.35 -1.79 -0.27 11.12 0.00 -1.10 -4.85 121.76 126.22 2jqy s ALA 138 Ca 0.53 2.18 -0.25 0.00 0.00 0.00 0.00 51.96 54.41 2jqy s ALA 138 Cb -0.22 -1.27 0.09 0.00 0.00 0.00 0.00 23.12 21.72 2jqy s ALA 138 CO 0.25 -0.35 0.86 0.54 0.00 0.00 0.00 175.76 177.06 2jqy s ASN 139 N 0.98 -0.61 0.56 0.00 2.20 -1.26 -0.92 114.94 115.89 2jqy s ASN 139 Ca -0.05 1.17 0.28 0.00 -0.94 0.00 0.00 52.86 53.32 2jqy s ASN 139 Cb -0.05 1.18 1.63 0.00 -2.00 0.00 0.00 41.25 42.01 2jqy s ASN 139 CO -0.09 -0.21 2.17 -0.78 -2.94 0.00 0.00 177.10 175.25 2jqy h ASP 140 N 4.58 0.00 -1.05 3.54 3.58 -2.03 -2.50 116.42 122.55 2jqy h ASP 140 Ca -0.28 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.60 2jqy h ASP 140 Cb 1.17 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.99 2jqy h ASP 140 CO 0.08 0.06 0.70 0.18 -2.88 0.00 0.00 179.24 177.38 2jqy n LEU 141 N -3.81 7.12 -4.56 2.28 7.99 -1.26 -4.92 117.00 119.85 2jqy n LEU 141 Ca -0.03 -4.08 -0.32 0.00 -0.01 0.00 0.00 56.01 51.58 2jqy n LEU 141 Cb 0.15 -1.06 -0.04 0.00 -0.11 0.00 0.00 43.42 42.36 2jqy n LEU 141 CO 0.29 1.50 1.41 0.54 -1.51 0.00 0.00 177.39 179.62 2jqy s ASN 142 N -0.76 5.42 -0.15 -1.43 4.22 -0.94 -4.77 114.94 116.53 2jqy s ASN 142 Ca 0.52 -0.55 -0.25 0.00 -2.14 0.00 0.00 52.86 50.45 2jqy s ASN 142 Cb 0.40 -2.55 -0.24 0.00 1.28 0.00 0.00 41.25 40.13 2jqy s ASN 142 CO -0.12 -2.43 0.58 0.71 -2.04 0.00 0.00 177.10 173.80 2jqy h THR 143 N 7.04 1.42 0.00 0.54 1.35 -1.91 -3.41 112.91 117.94 2jqy h THR 143 Ca 0.01 -2.32 -0.26 0.00 -0.55 0.00 0.00 66.41 63.29 2jqy h THR 143 Cb 1.04 2.94 -0.05 0.00 -1.73 0.00 0.00 68.15 70.36 2jqy h THR 143 CO 1.25 0.54 -1.98 0.41 -0.25 0.00 0.00 175.52 175.49 2jqy n THR 144 N -4.44 0.98 -2.34 6.82 -1.04 -1.26 -5.00 114.28 107.99 2jqy n THR 144 Ca -0.19 -0.58 -0.21 0.00 -2.04 0.00 0.00 64.05 61.04 2jqy n THR 144 Cb 0.62 -0.68 -0.02 0.00 -1.82 0.00 0.00 70.33 68.43 2jqy n THR 144 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jqy n GLY 145 N 2.19 -0.30 3.75 3.41 0.00 -1.26 -4.93 105.19 108.04 2jqy n GLY 145 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2jqy n GLY 145 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jqy s TYR 146 N -3.02 3.15 -0.25 1.61 5.04 -1.26 -4.33 117.35 118.29 2jqy s TYR 146 Ca 0.00 1.21 -0.06 0.00 -2.44 0.00 0.00 57.07 55.78 2jqy s TYR 146 Cb 0.00 -3.67 0.02 0.00 0.35 0.00 0.00 41.96 38.66 2jqy s TYR 146 CO 0.00 -2.08 0.12 0.00 -1.34 0.00 0.00 175.55 172.25 2jqy n ALA 147 N 2.16 -3.61 0.02 3.97 0.00 -1.26 -4.98 120.51 116.82 2jqy n ALA 147 Ca 0.05 1.44 -0.22 0.00 0.00 0.00 0.00 53.44 54.71 2jqy n ALA 147 Cb 0.42 -2.82 -0.14 0.00 0.00 0.00 0.00 19.45 16.91 2jqy n ALA 147 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jqy h ASP 148 N 3.50 0.45 -4.06 0.00 3.32 -1.89 -3.42 116.42 114.33 2jqy h ASP 148 Ca -0.28 -0.89 -0.29 0.00 0.02 0.00 0.00 57.03 55.60 2jqy h ASP 148 Cb 0.62 -0.15 -0.27 0.00 0.22 0.00 0.00 39.33 39.76 2jqy h ASP 148 CO 0.06 1.72 -0.74 0.28 -1.72 0.00 0.00 179.24 178.83 2jqy s THR 149 N -2.52 0.32 -0.16 0.35 -1.32 -1.26 -1.76 115.64 109.29 2jqy s THR 149 Ca -0.19 -0.34 -0.02 0.00 -1.21 0.00 0.00 61.69 59.92 2jqy s THR 149 Cb 0.05 -0.31 0.05 0.00 -1.51 0.00 0.00 72.50 70.78 2jqy s THR 149 CO 0.79 -0.02 0.01 -0.13 -2.21 0.00 0.00 174.62 173.06 2jqy s ARG 150 N -0.39 0.80 -0.13 7.08 0.52 -0.82 -4.15 118.95 121.85 2jqy s ARG 150 Ca -0.01 -0.34 -0.06 0.00 -0.52 0.00 0.00 55.73 54.79 2jqy s ARG 150 Cb -0.03 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 2jqy s ARG 150 CO -0.00 -0.53 0.09 0.08 0.02 0.00 0.00 175.30 174.96 2jqy s VAL 151 N 1.83 5.08 -0.09 3.52 1.01 -1.17 -0.56 120.40 130.02 2jqy s VAL 151 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2jqy s VAL 151 Cb -0.16 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.03 2jqy s VAL 151 CO -0.07 0.57 -0.01 -1.61 0.00 0.00 0.00 175.10 173.98 2jqy s GLU 152 N -0.61 0.75 -0.10 2.72 2.02 0.11 -1.98 118.70 121.61 2jqy s GLU 152 Ca 0.12 -0.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 2jqy s GLU 152 Cb -0.12 -1.21 -0.05 0.00 0.10 0.00 0.00 34.13 32.86 2jqy s GLU 152 CO 0.02 -0.34 0.25 0.99 0.02 0.00 0.00 175.26 176.20 2jqy s THR 153 N 1.92 5.32 -0.28 3.63 2.01 -0.85 0.54 115.64 127.93 2jqy s THR 153 Ca 0.04 0.47 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 2jqy s THR 153 Cb -0.13 -3.55 0.09 0.00 0.01 0.00 0.00 72.50 68.92 2jqy s THR 153 CO -0.06 0.53 0.11 -1.61 -0.69 0.00 0.00 174.62 172.90 2jqy s GLU 154 N -0.53 0.38 -0.45 4.92 2.02 0.32 -1.68 118.70 123.68 2jqy s GLU 154 Ca 0.17 -0.66 -0.19 0.00 0.02 0.00 0.00 54.97 54.31 2jqy s GLU 154 Cb -0.13 -1.54 0.04 0.00 0.10 0.00 0.00 34.13 32.59 2jqy s GLU 154 CO 0.06 -0.96 0.54 0.99 0.02 0.00 0.00 175.26 175.91 2jqy s THR 155 N 1.93 4.97 -0.13 3.63 2.01 -1.14 -1.07 115.64 125.85 2jqy s THR 155 Ca 0.08 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 2jqy s THR 155 Cb -0.16 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 2jqy s THR 155 CO -0.29 -0.59 -0.01 -0.83 -0.69 0.00 0.00 174.62 172.21 2jqy s GLY 156 N 2.16 1.79 -0.14 4.40 0.00 0.34 -1.80 107.32 114.06 2jqy s GLY 156 Ca 0.15 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.08 2jqy s GLY 156 CO 0.14 -0.28 -0.21 1.08 0.00 0.00 0.00 173.10 173.82 2jqy s LEU 157 N -0.19 2.15 -0.21 0.66 1.43 -1.08 -1.07 118.68 120.37 2jqy s LEU 157 Ca 0.05 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2jqy s LEU 157 Cb -0.13 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2jqy s LEU 157 CO 0.02 0.07 -0.07 -1.58 0.23 0.00 0.00 176.35 175.03 2jqy s GLN 158 N 0.85 3.34 -0.23 1.70 0.74 -0.56 -2.66 119.66 122.84 2jqy s GLN 158 Ca -0.06 -0.65 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 2jqy s GLN 158 Cb -0.15 -2.93 0.07 0.00 1.10 0.00 0.00 33.01 31.10 2jqy s GLN 158 CO -0.03 -0.15 0.01 -0.47 -0.55 0.00 0.00 175.29 174.10 2jqy s TYR 159 N 1.34 1.77 -0.11 1.67 5.04 -1.14 -1.83 117.35 124.08 2jqy s TYR 159 Ca 0.04 -1.41 -0.25 0.00 -2.44 0.00 0.00 57.07 53.01 2jqy s TYR 159 Cb -0.14 -1.40 -0.02 0.00 0.35 0.00 0.00 41.96 40.74 2jqy s TYR 159 CO -0.04 -0.72 0.80 0.95 -1.34 0.00 0.00 175.55 175.20 2jqy s THR 160 N 1.61 4.94 0.57 4.34 -4.23 -1.26 -2.54 115.64 119.07 2jqy s THR 160 Ca -0.01 1.61 0.29 0.00 -1.18 0.00 0.00 61.69 62.39 2jqy s THR 160 Cb -0.18 -4.12 0.41 0.00 1.34 0.00 0.00 72.50 69.95 2jqy s THR 160 CO -0.09 0.12 1.91 0.15 -0.54 0.00 0.00 174.62 176.17 2jqy h PHE 161 N 7.08 0.00 0.00 3.99 3.57 -1.67 -3.29 116.94 126.62 2jqy h PHE 161 Ca -0.35 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.00 2jqy h PHE 161 Cb 1.16 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.79 2jqy h PHE 161 CO 0.69 0.00 -0.07 -1.71 -2.23 0.00 0.00 178.31 174.99 2jqy n ASN 162 N -3.94 -1.50 -3.39 0.41 4.05 -1.26 -5.01 115.26 104.62 2jqy n ASN 162 Ca 0.11 -2.03 -0.19 0.00 0.45 0.00 0.00 54.58 52.91 2jqy n ASN 162 Cb 0.72 1.00 0.06 0.00 1.23 0.00 0.00 39.78 42.79 2jqy n ASN 162 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jqy n GLU 163 N -0.56 -2.37 0.00 1.20 -0.58 -1.24 -4.85 120.64 112.24 2jqy n GLU 163 Ca -0.16 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 2jqy n GLU 163 Cb 0.74 -5.39 0.00 0.00 -0.57 0.00 0.00 31.44 26.23 2jqy n GLU 163 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2jqy n THR 164 N -3.57 0.00 -3.61 2.62 -1.04 -1.26 -5.10 114.28 102.33 2jqy n THR 164 Ca -0.10 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.51 2jqy n THR 164 Cb 0.62 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.02 2jqy n THR 164 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jqy s VAL 165 N -0.67 4.69 0.17 12.58 1.01 -1.26 -4.66 120.40 132.26 2jqy s VAL 165 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.46 2jqy s VAL 165 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2jqy s VAL 165 CO 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 175.10 174.80 2jqy s ALA 166 N 1.60 2.66 -0.14 5.51 0.00 -1.24 -1.56 121.76 128.59 2jqy s ALA 166 Ca 0.04 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.39 2jqy s ALA 166 Cb -0.18 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2jqy s ALA 166 CO 0.07 0.48 0.14 -1.17 0.00 0.00 0.00 175.76 175.28 2jqy s LEU 167 N -2.57 4.35 -0.17 0.00 0.20 -1.05 -2.95 118.68 116.50 2jqy s LEU 167 Ca 0.21 0.42 -0.02 0.00 0.69 0.00 0.00 54.13 55.43 2jqy s LEU 167 Cb -0.09 -2.07 -0.01 0.00 -0.43 0.00 0.00 46.19 43.58 2jqy s LEU 167 CO 0.11 0.37 -0.08 -0.60 -0.29 0.00 0.00 176.35 175.85 2jqy s ARG 168 N -0.76 3.43 -0.31 1.98 3.52 -0.07 -2.89 118.95 123.85 2jqy s ARG 168 Ca 0.14 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 2jqy s ARG 168 Cb -0.12 -2.83 0.09 0.00 -1.56 0.00 0.00 34.95 30.53 2jqy s ARG 168 CO 0.03 0.05 0.02 0.54 -0.81 0.00 0.00 175.30 175.13 2jqy s VAL 169 N 0.81 1.90 -0.13 7.11 0.11 -1.09 -0.94 120.40 128.17 2jqy s VAL 169 Ca -0.03 -1.89 -0.11 0.00 -2.93 0.00 0.00 61.98 57.01 2jqy s VAL 169 Cb -0.15 -2.30 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 2jqy s VAL 169 CO 0.01 -0.45 0.24 0.20 -3.33 0.00 0.00 175.10 171.78 2jqy s ASN 170 N 1.14 6.45 -0.31 3.54 -0.87 -1.06 -2.65 114.94 121.18 2jqy s ASN 170 Ca 0.05 0.53 -0.07 0.00 -1.57 0.00 0.00 52.86 51.81 2jqy s ASN 170 Cb -0.19 -2.15 0.02 0.00 -0.02 0.00 0.00 41.25 38.92 2jqy s ASN 170 CO -0.10 0.24 0.09 -0.31 -2.57 0.00 0.00 177.10 174.45 2jqy s TYR 171 N -0.26 3.18 -0.01 2.20 1.51 -0.75 -2.30 117.35 120.93 2jqy s TYR 171 Ca 0.16 -1.16 -0.24 0.00 -1.01 0.00 0.00 57.07 54.82 2jqy s TYR 171 Cb -0.13 -2.26 -0.05 0.00 -0.11 0.00 0.00 41.96 39.41 2jqy s TYR 171 CO 0.05 -0.64 0.73 0.71 -1.11 0.00 0.00 175.55 175.28 2jqy s TYR 172 N 1.46 3.66 -0.32 2.71 2.02 -0.54 -2.88 117.35 123.46 2jqy s TYR 172 Ca 0.01 1.36 -0.01 0.00 -0.37 0.00 0.00 57.07 58.06 2jqy s TYR 172 Cb -0.18 -2.80 0.13 0.00 -0.40 0.00 0.00 41.96 38.71 2jqy s TYR 172 CO 0.02 0.20 0.22 -0.51 -1.57 0.00 0.00 175.55 173.91 2jqy s LEU 173 N 0.31 0.50 -0.19 -1.29 1.02 -0.68 -2.16 118.68 116.19 2jqy s LEU 173 Ca 0.38 -1.59 -0.21 0.00 0.02 0.00 0.00 54.13 52.73 2jqy s LEU 173 Cb -0.19 -0.12 -0.02 0.00 0.02 0.00 0.00 46.19 45.88 2jqy s LEU 173 CO 0.20 -0.36 0.65 -1.61 0.02 0.00 0.00 176.35 175.25 2jqy s GLU 174 N 1.66 4.23 -0.13 1.70 2.02 0.67 -2.00 118.70 126.85 2jqy s GLU 174 Ca 0.13 0.66 -0.04 0.00 0.02 0.00 0.00 54.97 55.74 2jqy s GLU 174 Cb -0.18 -3.57 0.05 0.00 0.10 0.00 0.00 34.13 30.53 2jqy s GLU 174 CO -0.18 -0.23 0.08 1.03 0.02 0.00 0.00 175.26 175.98 2jqy s ARG 175 N 1.87 0.02 0.00 1.61 1.81 -0.84 -2.77 118.95 120.66 2jqy s ARG 175 Ca 0.30 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.36 2jqy s ARG 175 Cb -0.16 -1.44 0.00 0.00 -0.45 0.00 0.00 34.95 32.90 2jqy s ARG 175 CO 0.11 -0.57 0.00 0.41 -0.68 0.00 0.00 175.30 174.57 2jqy n GLY 176 N 5.29 5.09 3.60 -3.53 0.00 -1.26 -3.02 105.19 111.36 2jqy n GLY 176 Ca -0.06 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 2jqy n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jqy s PHE 177 N -0.95 2.80 0.11 1.61 0.08 -1.26 -5.06 117.98 115.31 2jqy s PHE 177 Ca 0.00 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 56.96 2jqy s PHE 177 Cb 0.00 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 2jqy s PHE 177 CO 0.00 0.43 -0.09 -0.80 -0.10 0.00 0.00 175.22 174.66 2jqy s ASN 178 N -2.19 1.44 0.08 1.36 0.01 -1.26 -4.68 114.94 109.70 2jqy s ASN 178 Ca 0.22 -0.91 -0.27 0.00 -0.71 0.00 0.00 52.86 51.20 2jqy s ASN 178 Cb -0.11 0.03 0.09 0.00 0.41 0.00 0.00 41.25 41.67 2jqy s ASN 178 CO 0.14 -0.33 1.14 -0.32 -1.51 0.00 0.00 177.10 176.22 2jqy s MET 179 N -3.27 0.83 0.00 -0.60 1.75 -1.26 -4.80 119.30 111.94 2jqy s MET 179 Ca 0.09 -0.49 0.00 0.00 -1.25 0.00 0.00 55.69 54.05 2jqy s MET 179 Cb 0.00 0.26 0.00 0.00 2.84 0.00 0.00 34.83 37.94 2jqy s MET 179 CO -0.01 -0.38 0.00 -3.47 -0.65 0.00 0.00 175.02 170.51 2jqy n ASP 180 N -0.69 0.00 0.00 1.11 -0.08 -1.26 -4.95 116.55 110.68 2jqy n ASP 180 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2jqy n ASP 180 Cb 0.61 0.12 0.00 0.00 2.34 0.00 0.00 41.12 44.19 2jqy n ASP 180 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2jqy n ASP 181 N -1.71 0.00 0.00 1.67 -0.08 -1.26 -5.05 116.55 110.12 2jqy n ASP 181 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jqy n ASP 181 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2jqy n ASP 181 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2jqy n SER 182 N -2.65 0.00 -3.15 1.67 2.88 -1.26 -5.10 113.62 106.01 2jqy n SER 182 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2jqy n SER 182 Cb 0.14 0.25 -0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2jqy n SER 182 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jqy s ARG 183 N -1.60 0.39 -0.17 -1.46 1.70 -1.26 -5.03 118.95 111.52 2jqy s ARG 183 Ca 0.00 0.49 0.14 0.00 -0.47 0.00 0.00 55.73 55.90 2jqy s ARG 183 Cb 0.00 0.25 0.43 0.00 -0.57 0.00 0.00 34.95 35.06 2jqy s ARG 183 CO 0.00 -0.63 1.20 -1.71 -1.08 0.00 0.00 175.30 173.08 2jqy n ASN 184 N 5.35 1.86 -3.75 -2.89 2.85 -1.26 -5.05 115.26 112.36 2jqy n ASN 184 Ca 0.03 -3.42 -0.08 0.00 -0.11 0.00 0.00 54.58 51.00 2jqy n ASN 184 Cb 0.54 -0.46 -0.02 0.00 1.24 0.00 0.00 39.78 41.08 2jqy n ASN 184 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2jqy s ASN 185 N -3.02 -0.32 0.00 1.20 2.47 -1.26 -4.93 114.94 109.08 2jqy s ASN 185 Ca 0.38 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 53.21 2jqy s ASN 185 Cb 0.38 0.67 0.00 0.00 -1.45 0.00 0.00 41.25 40.85 2jqy s ASN 185 CO -0.08 -1.22 0.00 0.61 -3.72 0.00 0.00 177.10 172.69 2jqy n GLY 186 N -0.44 0.81 2.50 1.21 0.00 -1.26 -5.05 105.19 102.96 2jqy n GLY 186 Ca -0.07 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2jqy n GLY 186 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqy n GLU 187 N 0.00 0.97 -3.64 1.61 0.00 -1.26 -5.07 120.64 113.26 2jqy n GLU 187 Ca 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 57.16 53.37 2jqy n GLU 187 Cb 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 31.44 29.55 2jqy n GLU 187 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2jqy s PHE 188 N -0.84 -0.97 -0.12 4.31 0.08 -1.26 -5.17 117.98 114.02 2jqy s PHE 188 Ca 0.32 2.05 -0.21 0.00 0.12 0.00 0.00 56.93 59.21 2jqy s PHE 188 Cb 0.05 0.52 0.05 0.00 -0.57 0.00 0.00 43.02 43.07 2jqy s PHE 188 CO -0.16 -0.48 0.52 0.45 -0.10 0.00 0.00 175.22 175.46 2jqy s SER 189 N 1.23 -0.50 -0.27 1.36 0.15 -1.26 -4.95 113.70 109.46 2jqy s SER 189 Ca -0.07 0.74 -0.12 0.00 0.70 0.00 0.00 55.95 57.21 2jqy s SER 189 Cb -0.05 0.76 -0.05 0.00 -1.71 0.00 0.00 66.02 64.97 2jqy s SER 189 CO -0.13 -0.36 0.21 -0.89 1.20 0.00 0.00 173.24 173.27 2jqy s THR 190 N -0.50 5.30 -0.10 6.45 2.01 -1.11 -5.01 115.64 122.67 2jqy s THR 190 Ca -0.06 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.20 2jqy s THR 190 Cb -0.03 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2jqy s THR 190 CO 0.04 0.25 -0.21 -1.58 -0.69 0.00 0.00 174.62 172.43 2jqy s GLN 191 N 1.74 2.71 0.39 4.92 -0.44 -1.26 -0.24 119.66 127.48 2jqy s GLN 191 Ca 0.08 -0.76 0.04 0.00 -2.50 0.00 0.00 55.36 52.22 2jqy s GLN 191 Cb -0.16 -2.11 -0.05 0.00 -1.64 0.00 0.00 33.01 29.06 2jqy s GLN 191 CO 0.10 0.11 0.06 -1.21 0.50 0.00 0.00 175.29 174.86 2jqy s GLU 192 N 0.51 1.87 -0.00 1.67 2.02 -0.92 -5.01 118.70 118.83 2jqy s GLU 192 Ca -0.16 -2.10 0.00 0.00 0.02 0.00 0.00 54.97 52.73 2jqy s GLU 192 Cb -0.17 -1.00 0.00 0.00 0.10 0.00 0.00 34.13 33.06 2jqy s GLU 192 CO 0.06 -0.29 -0.01 0.42 0.02 0.00 0.00 175.26 175.47 2jqy s ILE 193 N -3.12 0.06 0.03 -1.63 1.09 -1.26 -1.47 121.20 114.89 2jqy s ILE 193 Ca 0.27 -0.02 0.06 0.00 -1.10 0.00 0.00 60.65 59.86 2jqy s ILE 193 Cb 0.06 -0.06 -0.02 0.00 -1.06 0.00 0.00 42.46 41.37 2jqy s ILE 193 CO 0.13 0.02 -0.16 -0.13 -0.10 0.00 0.00 174.94 174.70 2jqy s ARG 194 N 0.06 1.16 0.03 2.79 0.52 -0.97 -4.38 118.95 118.15 2jqy s ARG 194 Ca -0.00 -0.76 0.06 0.00 -0.52 0.00 0.00 55.73 54.51 2jqy s ARG 194 Cb -0.01 -1.19 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 2jqy s ARG 194 CO -0.00 0.31 -0.17 0.00 0.02 0.00 0.00 175.30 175.46 2jqy s ALA 195 N -0.71 2.64 0.23 2.13 0.00 -0.91 -2.55 121.76 122.60 2jqy s ALA 195 Ca 0.05 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 2jqy s ALA 195 Cb -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2jqy s ALA 195 CO 0.01 0.58 0.49 0.71 0.00 0.00 0.00 175.76 177.54 2jqy s TYR 196 N -0.92 0.24 -0.33 0.00 2.02 -0.11 -2.83 117.35 115.42 2jqy s TYR 196 Ca 0.15 -0.61 -0.09 0.00 -0.37 0.00 0.00 57.07 56.15 2jqy s TYR 196 Cb -0.11 0.25 0.20 0.00 -0.40 0.00 0.00 41.96 41.90 2jqy s TYR 196 CO 0.05 -0.98 1.09 -1.17 -1.57 0.00 0.00 175.55 172.98 2jqy s LEU 197 N -2.98 -0.25 -0.14 -1.29 0.20 -1.20 -0.89 118.68 112.13 2jqy s LEU 197 Ca 0.19 -0.21 -0.29 0.00 0.69 0.00 0.00 54.13 54.51 2jqy s LEU 197 Cb -0.01 0.33 -0.06 0.00 -0.43 0.00 0.00 46.19 46.02 2jqy s LEU 197 CO 0.06 -0.02 2.10 -2.16 -0.29 0.00 0.00 176.35 176.04 2jqy s PRO 198 N 1.52 3.51 -0.24 0.98 0.04 -1.15 -3.88 135.00 135.76 2jqy s PRO 198 Ca 0.18 2.19 -0.02 0.00 0.04 0.00 0.00 61.00 63.40 2jqy s PRO 198 Cb 0.08 -4.28 0.02 0.00 0.04 0.00 0.00 34.50 30.36 2jqy s PRO 198 CO -0.13 -1.68 -0.06 -0.51 0.04 0.00 0.00 177.00 174.67 2jqy s LEU 199 N 6.83 3.14 0.15 -3.56 1.43 0.29 -3.71 118.68 123.25 2jqy s LEU 199 Ca 0.95 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 2jqy s LEU 199 Cb -0.36 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2jqy s LEU 199 CO 0.37 -0.11 -0.13 0.42 0.23 0.00 0.00 176.35 177.13 2jqy s THR 200 N 1.36 1.38 -0.36 5.49 -4.23 -1.26 0.13 115.64 118.15 2jqy s THR 200 Ca 0.01 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2jqy s THR 200 Cb -0.16 -1.79 0.14 0.00 1.34 0.00 0.00 72.50 72.03 2jqy s THR 200 CO -0.04 -0.60 0.27 -0.22 -0.54 0.00 0.00 174.62 173.49 2jqy s LEU 201 N -2.97 0.55 0.00 4.79 2.96 -0.51 -4.91 118.68 118.60 2jqy s LEU 201 Ca 0.16 -1.92 0.00 0.00 -0.22 0.00 0.00 54.13 52.15 2jqy s LEU 201 Cb -0.01 -0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.66 2jqy s LEU 201 CO 0.03 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 2jqy n GLY 202 N 4.17 2.29 0.00 7.98 0.00 -1.26 -3.38 105.19 114.99 2jqy n GLY 202 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2jqy n GLY 202 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jqy n ASN 203 N 4.37 3.16 -4.75 1.61 4.13 -1.26 -5.05 115.26 117.47 2jqy n ASN 203 Ca 0.00 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.85 2jqy n ASN 203 Cb 0.00 0.17 -0.02 0.00 -1.54 0.00 0.00 39.78 38.39 2jqy n ASN 203 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2jqy s HIS 204 N -1.70 3.02 -0.16 3.10 3.76 -1.22 -4.82 115.29 117.26 2jqy s HIS 204 Ca 0.00 1.03 -0.00 0.00 -0.15 0.00 0.00 55.06 55.94 2jqy s HIS 204 Cb 0.00 -3.82 0.04 0.00 1.11 0.00 0.00 32.58 29.91 2jqy s HIS 204 CO 0.00 -2.66 -0.07 0.45 -0.85 0.00 0.00 174.74 171.62 2jqy s SER 205 N 0.35 2.85 -0.09 1.40 0.15 -0.83 -1.42 113.70 116.11 2jqy s SER 205 Ca 0.59 -0.66 -0.01 0.00 0.70 0.00 0.00 55.95 56.58 2jqy s SER 205 Cb -0.42 -0.97 0.03 0.00 -1.71 0.00 0.00 66.02 62.95 2jqy s SER 205 CO 0.43 -0.16 -0.02 -0.69 1.20 0.00 0.00 173.24 174.00 2jqy s VAL 206 N 1.59 0.62 -0.29 4.45 1.01 0.12 -0.68 120.40 127.22 2jqy s VAL 206 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2jqy s VAL 206 Cb -0.15 -0.74 0.08 0.00 0.00 0.00 0.00 36.38 35.57 2jqy s VAL 206 CO -0.08 0.27 -0.01 0.28 0.00 0.00 0.00 175.10 175.57 2jqy s THR 207 N 1.87 1.92 0.75 3.92 -1.32 -0.65 0.11 115.64 122.23 2jqy s THR 207 Ca 0.05 -1.81 -0.11 0.00 -1.21 0.00 0.00 61.69 58.61 2jqy s THR 207 Cb -0.13 -2.27 0.04 0.00 -1.51 0.00 0.00 72.50 68.64 2jqy s THR 207 CO -0.06 -0.35 1.08 -2.84 -2.21 0.00 0.00 174.62 170.23 2jqy s PRO 208 N 1.15 2.50 -0.11 7.08 0.02 -1.25 -2.20 135.00 142.19 2jqy s PRO 208 Ca 0.02 0.87 -0.14 0.00 0.02 0.00 0.00 61.00 61.77 2jqy s PRO 208 Cb -0.19 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.42 2jqy s PRO 208 CO -0.09 -1.39 0.36 1.52 -0.33 0.00 0.00 177.00 177.08 2jqy s TYR 209 N -3.06 -0.36 0.01 6.54 1.13 -0.95 -3.26 117.35 117.40 2jqy s TYR 209 Ca 0.60 0.83 0.01 0.00 -1.41 0.00 0.00 57.07 57.09 2jqy s TYR 209 Cb -0.15 0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.84 2jqy s TYR 209 CO 0.55 -0.25 -0.04 0.99 -2.51 0.00 0.00 175.55 174.28 2jqy s THR 210 N -0.20 0.31 0.51 -3.49 2.01 -1.13 -1.32 115.64 112.33 2jqy s THR 210 Ca -0.04 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.56 2jqy s THR 210 Cb -0.03 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 2jqy s THR 210 CO 0.02 -0.09 0.10 -0.13 -0.69 0.00 0.00 174.62 173.83 2jqy s ARG 211 N -0.56 2.19 -0.08 4.92 3.00 -1.26 -2.14 118.95 125.02 2jqy s ARG 211 Ca -0.03 -2.27 -0.03 0.00 0.00 0.00 0.00 55.73 53.40 2jqy s ARG 211 Cb -0.04 -1.69 0.04 0.00 0.00 0.00 0.00 34.95 33.26 2jqy s ARG 211 CO -0.00 -0.38 0.06 0.96 0.00 0.00 0.00 175.30 175.94 2jqy s ILE 212 N -2.83 -0.06 0.00 1.52 -5.25 -1.26 -5.01 121.20 108.31 2jqy s ILE 212 Ca 0.16 0.24 0.00 0.00 -0.99 0.00 0.00 60.65 60.06 2jqy s ILE 212 Cb 0.02 -0.30 0.00 0.00 2.95 0.00 0.00 42.46 45.12 2jqy s ILE 212 CO 0.09 0.06 0.00 0.61 -1.79 0.00 0.00 174.94 173.91 2jqy n GLY 213 N 5.28 0.00 2.66 6.27 0.00 -1.26 -4.90 105.19 113.24 2jqy n GLY 213 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2jqy n GLY 213 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jqy s LEU 214 N -5.71 1.47 -0.08 0.99 2.34 -1.26 -4.97 118.68 111.46 2jqy s LEU 214 Ca 0.00 -1.40 0.07 0.00 0.06 0.00 0.00 54.13 52.87 2jqy s LEU 214 Cb 0.00 -0.64 -0.24 0.00 -0.56 0.00 0.00 46.19 44.75 2jqy s LEU 214 CO 0.00 -0.41 0.53 -0.67 -1.06 0.00 0.00 176.35 174.74 2jqy n ASP 215 N 5.02 1.21 -1.46 1.48 2.03 -1.26 -5.08 116.55 118.49 2jqy n ASP 215 Ca -0.04 0.33 0.20 0.00 0.52 0.00 0.00 54.79 55.79 2jqy n ASP 215 Cb 0.43 -0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 40.53 2jqy n ASP 215 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2jqy n ARG 216 N -3.16 -2.95 -0.08 -0.67 0.63 -1.26 -4.83 116.66 104.34 2jqy n ARG 216 Ca -0.22 1.96 -0.17 0.00 -0.92 0.00 0.00 57.85 58.49 2jqy n ARG 216 Cb 1.06 -3.59 -0.06 0.00 0.45 0.00 0.00 32.46 30.31 2jqy n ARG 216 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 2jqy n TRP 217 N -4.27 0.00 -3.95 -0.14 -0.00 -1.26 -5.10 117.44 102.72 2jqy n TRP 217 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.42 2jqy n TRP 217 Cb 0.67 -0.59 -0.04 0.00 -0.00 0.00 0.00 31.31 31.35 2jqy n TRP 217 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2jqy s SER 218 N -6.37 -0.14 0.20 5.87 0.15 -1.26 -5.18 113.70 106.97 2jqy s SER 218 Ca -0.23 -0.82 0.10 0.00 0.70 0.00 0.00 55.95 55.70 2jqy s SER 218 Cb 0.08 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.99 2jqy s SER 218 CO 0.29 -1.22 -0.14 0.20 1.20 0.00 0.00 173.24 173.57 2jqy s ASN 219 N -2.99 3.98 -0.05 5.45 0.01 -1.26 -5.04 114.94 115.05 2jqy s ASN 219 Ca 0.18 -0.71 0.09 0.00 -0.71 0.00 0.00 52.86 51.72 2jqy s ASN 219 Cb -0.03 -0.56 0.18 0.00 0.41 0.00 0.00 41.25 41.26 2jqy s ASN 219 CO 0.08 0.10 1.10 1.87 -1.51 0.00 0.00 177.10 178.75 2jqy n TRP 220 N -0.01 -0.15 -3.45 2.20 -0.00 -1.26 -5.13 117.44 109.65 2jqy n TRP 220 Ca -0.10 -0.69 -0.31 0.00 -0.00 0.00 0.00 57.50 56.39 2jqy n TRP 220 Cb 0.56 0.40 -0.05 0.00 -0.00 0.00 0.00 31.31 32.22 2jqy n TRP 220 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2jqy s ASP 221 N -1.41 6.58 -0.52 5.87 1.11 -1.26 -5.00 116.67 122.04 2jqy s ASP 221 Ca 0.11 0.83 0.02 0.00 0.18 0.00 0.00 52.55 53.70 2jqy s ASP 221 Cb 0.16 -2.19 0.58 0.00 1.07 0.00 0.00 42.92 42.54 2jqy s ASP 221 CO -0.06 -0.07 1.93 1.87 1.18 0.00 0.00 175.17 180.02 2jqy n TRP 222 N -0.20 3.03 -3.90 4.23 -0.00 -1.26 -4.86 117.44 114.47 2jqy n TRP 222 Ca -0.00 -2.29 -0.29 0.00 -0.00 0.00 0.00 57.50 54.91 2jqy n TRP 222 Cb 0.52 -1.10 -0.16 0.00 -0.00 0.00 0.00 31.31 30.57 2jqy n TRP 222 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2jqy s GLN 223 N -3.50 1.48 0.00 5.87 1.11 -1.26 -4.95 119.66 118.41 2jqy s GLN 223 Ca 0.59 -0.76 0.00 0.00 0.01 0.00 0.00 55.36 55.21 2jqy s GLN 223 Cb 0.49 -2.33 0.00 0.00 -1.01 0.00 0.00 33.01 30.15 2jqy s GLN 223 CO 0.06 -0.54 0.00 -3.47 0.01 0.00 0.00 175.29 171.35 2jqy n ASP 224 N 4.78 0.00 -2.64 5.90 2.03 -1.26 -5.05 116.55 120.31 2jqy n ASP 224 Ca -0.12 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.01 2jqy n ASP 224 Cb 0.46 0.22 0.04 0.00 -0.72 0.00 0.00 41.12 41.12 2jqy n ASP 224 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jqy n ASP 225 N -1.76 -5.30 -3.68 1.67 8.00 -1.26 -5.00 116.55 109.23 2jqy n ASP 225 Ca 0.00 -0.31 -0.28 0.00 0.71 0.00 0.00 54.79 54.91 2jqy n ASP 225 Cb 0.00 -4.04 -0.16 0.00 -0.02 0.00 0.00 41.12 36.90 2jqy n ASP 225 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jqy s ILE 226 N -3.13 0.38 -0.76 0.53 1.01 -1.26 -5.08 121.20 112.89 2jqy s ILE 226 Ca 0.34 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 2jqy s ILE 226 Cb -0.15 -1.06 0.19 0.00 0.01 0.00 0.00 42.46 41.46 2jqy s ILE 226 CO 0.42 -0.40 0.63 -1.61 0.00 0.00 0.00 174.94 173.98 2jqy s GLU 227 N 1.91 3.05 0.04 2.79 2.02 -1.26 -5.04 118.70 122.20 2jqy s GLU 227 Ca 0.03 -2.74 0.02 0.00 0.02 0.00 0.00 54.97 52.31 2jqy s GLU 227 Cb -0.17 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.06 2jqy s GLU 227 CO -0.16 -1.23 -0.08 0.50 0.02 0.00 0.00 175.26 174.31 2jqy s ARG 228 N -0.40 0.55 0.46 1.61 6.06 -1.26 -5.15 118.95 120.83 2jqy s ARG 228 Ca 0.20 -0.67 -0.21 0.00 -2.50 0.00 0.00 55.73 52.55 2jqy s ARG 228 Cb -0.14 -0.38 -0.09 0.00 0.06 0.00 0.00 34.95 34.39 2jqy s ARG 228 CO -0.07 0.08 1.00 -2.00 -2.50 0.00 0.00 175.30 171.81 2jqy s GLU 229 N -1.32 3.99 0.12 5.12 2.12 -1.26 -4.80 118.70 122.65 2jqy s GLU 229 Ca -0.07 1.28 0.00 0.00 0.36 0.00 0.00 54.97 56.54 2jqy s GLU 229 Cb -0.09 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.15 2jqy s GLU 229 CO 0.00 -0.26 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 2jqy n GLY 230 N -0.36 -4.27 3.24 -1.50 0.00 -1.26 -5.00 105.19 96.05 2jqy n GLY 230 Ca 0.08 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 2jqy n GLY 230 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jqy s HIS 231 N -0.67 -1.03 -0.08 1.61 3.76 -1.26 -5.07 115.29 112.54 2jqy s HIS 231 Ca 0.00 0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 55.12 2jqy s HIS 231 Cb 0.00 -2.80 0.09 0.00 1.11 0.00 0.00 32.58 30.97 2jqy s HIS 231 CO 0.00 -5.27 0.78 0.34 -0.85 0.00 0.00 174.74 169.74 2jqy s ASP 232 N -3.15 -0.56 0.40 1.40 -1.08 -1.26 -5.18 116.67 107.24 2jqy s ASP 232 Ca 0.68 0.59 0.01 0.00 -0.52 0.00 0.00 52.55 53.31 2jqy s ASP 232 Cb -0.12 0.47 -0.01 0.00 -1.46 0.00 0.00 42.92 41.79 2jqy s ASP 232 CO 0.57 -0.54 0.60 -0.36 0.52 0.00 0.00 175.17 175.96 2jqy s PHE 233 N -1.28 3.31 -0.14 -5.34 0.40 -1.26 -5.03 117.98 108.63 2jqy s PHE 233 Ca -0.08 0.21 0.17 0.00 -0.60 0.00 0.00 56.93 56.64 2jqy s PHE 233 Cb -0.00 -2.12 0.43 0.00 0.51 0.00 0.00 43.02 41.84 2jqy s PHE 233 CO 0.06 -0.14 1.19 -1.71 0.70 0.00 0.00 175.22 175.32 2jqy n ASN 234 N -1.92 1.69 -3.15 1.36 5.15 -1.26 -4.76 115.26 112.38 2jqy n ASN 234 Ca -0.01 -3.00 0.04 0.00 -0.60 0.00 0.00 54.58 51.01 2jqy n ASN 234 Cb 0.57 -0.42 -0.01 0.00 -0.53 0.00 0.00 39.78 39.39 2jqy n ASN 234 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2jqy s ARG 235 N -2.03 0.47 -0.28 1.20 0.52 -1.26 -4.75 118.95 112.81 2jqy s ARG 235 Ca 0.37 0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 56.15 2jqy s ARG 235 Cb 0.38 0.37 0.11 0.00 0.52 0.00 0.00 34.95 36.32 2jqy s ARG 235 CO -0.10 -0.64 0.65 0.54 0.02 0.00 0.00 175.30 175.77 2jqy s VAL 236 N 2.88 -0.55 0.26 3.52 0.11 -1.26 -4.89 120.40 120.46 2jqy s VAL 236 Ca 0.15 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 2jqy s VAL 236 Cb -0.12 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2jqy s VAL 236 CO -0.21 0.00 0.40 -0.83 -3.33 0.00 0.00 175.10 171.14 2jqy s GLY 237 N 2.34 1.26 -0.08 6.54 0.00 -0.44 -4.30 107.32 112.64 2jqy s GLY 237 Ca -0.08 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 2jqy s GLY 237 CO -0.19 -1.14 0.18 1.08 0.00 0.00 0.00 173.10 173.02 2jqy s LEU 238 N -4.02 0.62 -0.44 0.66 1.43 -1.07 -2.23 118.68 113.62 2jqy s LEU 238 Ca 0.35 0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.79 2jqy s LEU 238 Cb -0.09 0.48 0.12 0.00 0.03 0.00 0.00 46.19 46.72 2jqy s LEU 238 CO 0.31 -0.15 0.24 0.12 0.23 0.00 0.00 176.35 177.09 2jqy s PHE 239 N 1.21 3.56 0.38 0.29 5.36 -0.93 -0.45 117.98 127.39 2jqy s PHE 239 Ca -0.09 -2.38 -0.14 0.00 -0.96 0.00 0.00 56.93 53.36 2jqy s PHE 239 Cb -0.11 -3.26 -0.08 0.00 -0.34 0.00 0.00 43.02 39.22 2jqy s PHE 239 CO -0.07 -0.97 0.80 0.71 -1.46 0.00 0.00 175.22 174.24 2jqy s TYR 240 N 1.06 3.40 -0.30 10.12 1.51 -0.54 -1.64 117.35 130.96 2jqy s TYR 240 Ca 0.09 1.24 -0.03 0.00 -1.01 0.00 0.00 57.07 57.35 2jqy s TYR 240 Cb -0.23 -2.57 0.19 0.00 -0.11 0.00 0.00 41.96 39.24 2jqy s TYR 240 CO -0.04 -0.04 0.75 0.20 -1.11 0.00 0.00 175.55 175.31 2jqy s GLY 241 N -2.62 -0.90 0.04 0.71 0.00 0.15 -2.68 107.32 102.02 2jqy s GLY 241 Ca 0.55 1.91 -0.11 0.00 0.00 0.00 0.00 44.72 47.07 2jqy s GLY 241 CO 0.23 3.62 0.24 -2.52 0.00 0.00 0.00 173.10 174.67 2jqy s TYR 242 N 2.88 -0.01 -0.12 1.90 1.13 -0.40 -1.96 117.35 120.77 2jqy s TYR 242 Ca 0.14 -0.18 0.02 0.00 -1.41 0.00 0.00 57.07 55.65 2jqy s TYR 242 Cb -0.11 0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.78 2jqy s TYR 242 CO -0.20 -0.47 -0.19 -0.51 -2.51 0.00 0.00 175.55 171.67 2jqy s ASP 243 N -2.11 2.75 -0.11 -0.18 1.01 -1.26 0.89 116.67 117.65 2jqy s ASP 243 Ca -0.05 -0.51 0.04 0.00 0.71 0.00 0.00 52.55 52.75 2jqy s ASP 243 Cb -0.01 -1.26 0.14 0.00 1.01 0.00 0.00 42.92 42.80 2jqy s ASP 243 CO -0.04 0.06 1.17 0.33 0.21 0.00 0.00 175.17 176.89 2jqy n PHE 244 N 4.07 -0.69 -2.61 4.23 7.35 -1.19 -4.98 117.46 123.63 2jqy n PHE 244 Ca -0.20 -0.90 -0.13 0.00 -0.76 0.00 0.00 57.45 55.47 2jqy n PHE 244 Cb 0.52 0.85 0.02 0.00 0.35 0.00 0.00 39.48 41.22 2jqy n PHE 244 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2jqy n GLN 245 N -0.52 1.77 -3.26 -4.13 6.02 -1.21 -4.96 117.38 111.09 2jqy n GLN 245 Ca -0.24 -3.59 -0.15 0.00 -0.01 0.00 0.00 57.00 53.01 2jqy n GLN 245 Cb 0.75 -1.52 0.08 0.00 1.02 0.00 0.00 30.24 30.57 2jqy n GLN 245 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jqy n ASN 246 N -0.20 -4.32 0.00 1.08 5.03 -1.26 -2.68 115.26 112.91 2jqy n ASN 246 Ca 0.17 -0.63 0.00 0.00 0.87 0.00 0.00 54.58 54.98 2jqy n ASN 246 Cb 0.78 -4.95 0.00 0.00 -1.02 0.00 0.00 39.78 34.59 2jqy n ASN 246 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqy n GLY 247 N -1.19 3.11 3.71 7.41 0.00 -1.26 -4.99 105.19 111.99 2jqy n GLY 247 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2jqy n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jqy s LEU 248 N 0.00 4.37 0.44 0.99 2.01 -1.09 -2.69 118.68 122.71 2jqy s LEU 248 Ca 0.00 2.29 0.03 0.00 0.01 0.00 0.00 54.13 56.46 2jqy s LEU 248 Cb 0.00 -3.58 0.01 0.00 0.01 0.00 0.00 46.19 42.62 2jqy s LEU 248 CO 0.00 -0.65 0.64 -0.55 1.01 0.00 0.00 176.35 176.80 2jqy s SER 249 N 1.19 5.70 -0.07 2.29 0.15 -0.46 -3.19 113.70 119.32 2jqy s SER 249 Ca 0.64 0.01 -0.03 0.00 0.70 0.00 0.00 55.95 57.28 2jqy s SER 249 Cb -0.36 -1.19 0.04 0.00 -1.71 0.00 0.00 66.02 62.80 2jqy s SER 249 CO 0.30 -0.75 0.07 -0.69 1.20 0.00 0.00 173.24 173.36 2jqy s VAL 250 N -2.49 -0.09 -0.07 4.45 1.01 0.26 -2.68 120.40 120.78 2jqy s VAL 250 Ca 0.51 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2jqy s VAL 250 Cb -0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 2jqy s VAL 250 CO 0.36 0.08 -0.21 -0.55 0.00 0.00 0.00 175.10 174.77 2jqy s SER 251 N 2.16 2.69 -0.14 3.32 0.15 0.13 -1.27 113.70 120.74 2jqy s SER 251 Ca 0.04 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.24 2jqy s SER 251 Cb -0.13 -1.01 0.02 0.00 -1.71 0.00 0.00 66.02 63.20 2jqy s SER 251 CO -0.04 0.16 -0.14 -0.22 1.20 0.00 0.00 173.24 174.19 2jqy s LEU 252 N 0.20 1.68 -0.48 3.45 0.20 -1.09 0.10 118.68 122.74 2jqy s LEU 252 Ca -0.11 -0.47 -0.18 0.00 0.69 0.00 0.00 54.13 54.07 2jqy s LEU 252 Cb -0.15 -1.15 0.06 0.00 -0.43 0.00 0.00 46.19 44.52 2jqy s LEU 252 CO 0.05 -0.04 0.51 -1.61 -0.29 0.00 0.00 176.35 174.98 2jqy s GLU 253 N 1.36 3.07 -0.18 1.98 2.02 -1.09 -1.47 118.70 124.39 2jqy s GLU 253 Ca 0.02 -1.03 -0.26 0.00 0.02 0.00 0.00 54.97 53.72 2jqy s GLU 253 Cb -0.13 -4.09 -0.01 0.00 0.10 0.00 0.00 34.13 30.00 2jqy s GLU 253 CO -0.08 -1.09 0.87 -0.47 0.02 0.00 0.00 175.26 174.50 2jqy s TYR 254 N 2.20 3.40 0.03 1.61 6.14 0.41 -2.53 117.35 128.61 2jqy s TYR 254 Ca 0.11 1.28 -0.01 0.00 0.64 0.00 0.00 57.07 59.09 2jqy s TYR 254 Cb -0.21 -3.06 0.01 0.00 0.42 0.00 0.00 41.96 39.12 2jqy s TYR 254 CO 0.10 -0.29 0.03 0.00 0.64 0.00 0.00 175.55 176.04 2jqy n ALA 255 N 5.46 -0.08 -1.58 3.97 0.00 -1.26 -2.60 120.51 124.42 2jqy n ALA 255 Ca 0.06 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 2jqy n ALA 255 Cb 0.48 -0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 2jqy n ALA 255 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jqy n PHE 256 N -2.43 1.80 -0.54 0.00 3.01 -1.26 -4.29 117.46 113.74 2jqy n PHE 256 Ca 0.00 -2.05 0.00 0.00 1.01 0.00 0.00 57.45 56.41 2jqy n PHE 256 Cb 0.02 -1.40 0.00 0.00 -0.01 0.00 0.00 39.48 38.08 2jqy n PHE 256 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2jqy n GLU 257 N 0.83 0.05 -4.10 -1.08 2.13 -1.26 -4.50 120.64 112.72 2jqy n GLU 257 Ca 0.50 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 58.10 2jqy n GLU 257 Cb 0.50 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.16 2jqy n GLU 257 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 2jqy s TRP 258 N -0.68 3.15 -0.23 4.31 1.48 -1.26 -4.33 118.94 121.38 2jqy s TRP 258 Ca 0.00 -0.09 -0.29 0.00 -1.06 0.00 0.00 56.10 54.66 2jqy s TRP 258 Cb 0.00 -1.43 -0.06 0.00 -1.16 0.00 0.00 33.47 30.82 2jqy s TRP 258 CO 0.00 0.51 2.22 1.04 -4.06 0.00 0.00 176.95 176.66 2jqy n GLN 259 N -1.09 1.85 -3.42 3.25 6.02 -1.26 -4.92 117.38 117.81 2jqy n GLN 259 Ca -0.08 0.50 -0.05 0.00 -0.01 0.00 0.00 57.00 57.37 2jqy n GLN 259 Cb 0.57 -3.13 -0.06 0.00 1.02 0.00 0.00 30.24 28.64 2jqy n GLN 259 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2jqy s ASP 260 N 8.17 -0.47 0.52 1.08 2.15 -1.26 -5.17 116.67 121.69 2jqy s ASP 260 Ca 1.02 0.76 0.03 0.00 0.43 0.00 0.00 52.55 54.79 2jqy s ASP 260 Cb -0.41 1.59 0.00 0.00 -0.30 0.00 0.00 42.92 43.81 2jqy s ASP 260 CO 0.37 -0.26 0.15 -2.28 -0.17 0.00 0.00 175.17 172.98 2jqy s HIS 261 N 2.69 1.81 0.09 -5.34 2.46 -1.26 -5.09 115.29 110.64 2jqy s HIS 261 Ca 0.09 -0.90 0.00 0.00 0.47 0.00 0.00 55.06 54.72 2jqy s HIS 261 Cb -0.14 -1.73 0.00 0.00 -0.13 0.00 0.00 32.58 30.58 2jqy s HIS 261 CO -0.17 -0.02 0.00 -0.25 -2.47 0.00 0.00 174.74 171.83 2jqy n ASP 262 N -1.44 -0.03 -2.51 9.88 9.92 -1.26 -5.03 116.55 126.07 2jqy n ASP 262 Ca -0.12 0.15 -0.21 0.00 -0.53 0.00 0.00 54.79 54.08 2jqy n ASP 262 Cb 0.66 0.11 0.01 0.00 -0.64 0.00 0.00 41.12 41.26 2jqy n ASP 262 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2jqy n GLU 263 N -2.81 -2.69 -0.81 -1.24 4.07 -1.26 -4.88 120.64 111.02 2jqy n GLU 263 Ca 0.00 0.95 -0.05 0.00 -0.06 0.00 0.00 57.16 58.00 2jqy n GLU 263 Cb 0.00 -5.63 0.20 0.00 -0.06 0.00 0.00 31.44 25.95 2jqy n GLU 263 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jqy n GLY 264 N -1.19 4.79 2.45 8.31 0.00 -1.26 -4.92 105.19 113.37 2jqy n GLY 264 Ca -0.20 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 2jqy n GLY 264 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jqy n ASP 265 N -1.07 -5.52 -1.87 1.61 8.00 -1.26 -4.89 116.55 111.55 2jqy n ASP 265 Ca 0.34 0.18 -0.02 0.00 0.71 0.00 0.00 54.79 56.00 2jqy n ASP 265 Cb 1.08 -4.70 0.01 0.00 -0.02 0.00 0.00 41.12 37.49 2jqy n ASP 265 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2jqy n SER 266 N -1.73 -0.84 -3.66 -2.24 7.64 -1.26 -5.18 113.62 106.35 2jqy n SER 266 Ca -0.22 -1.51 -0.09 0.00 1.01 0.00 0.00 58.87 58.06 2jqy n SER 266 Cb 0.67 1.38 -0.08 0.00 -1.01 0.00 0.00 64.21 65.16 2jqy n SER 266 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jqy s ASP 267 N -1.96 -0.79 -0.10 6.43 1.11 -1.26 -4.68 116.67 115.42 2jqy s ASP 267 Ca 0.08 1.30 -0.07 0.00 0.18 0.00 0.00 52.55 54.05 2jqy s ASP 267 Cb -0.02 1.19 -0.02 0.00 1.07 0.00 0.00 42.92 45.14 2jqy s ASP 267 CO 0.03 -0.22 -0.13 0.29 1.18 0.00 0.00 175.17 176.32 2jqy n LYS 268 N 4.13 0.32 -4.16 8.23 5.02 -1.26 -5.00 118.16 125.44 2jqy n LYS 268 Ca -0.20 0.42 -0.22 0.00 -2.02 0.00 0.00 58.31 56.29 2jqy n LYS 268 Cb 0.57 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 34.14 2jqy n LYS 268 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2jqy s PHE 269 N -1.89 3.01 0.33 2.13 0.08 -1.26 -5.02 117.98 115.35 2jqy s PHE 269 Ca -0.11 -0.13 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 2jqy s PHE 269 Cb 0.02 -1.35 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 2jqy s PHE 269 CO 0.16 0.55 0.62 -1.58 -0.10 0.00 0.00 175.22 174.86 2jqy s HIS 270 N -2.16 0.41 0.00 0.36 2.46 -1.26 -5.08 115.29 110.02 2jqy s HIS 270 Ca 0.32 -0.85 0.00 0.00 0.47 0.00 0.00 55.06 55.00 2jqy s HIS 270 Cb -0.08 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.78 2jqy s HIS 270 CO 0.24 -1.27 0.00 0.98 -2.47 0.00 0.00 174.74 172.22 2jqy n TYR 271 N -0.50 -1.25 -1.68 3.88 9.36 -1.26 -5.06 117.16 120.65 2jqy n TYR 271 Ca -0.04 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.76 2jqy n TYR 271 Cb 0.61 0.25 -0.00 0.00 -0.63 0.00 0.00 39.34 39.57 2jqy n TYR 271 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2jqy n ALA 272 N -1.99 1.09 -1.91 2.98 0.00 -1.26 -4.87 120.51 114.56 2jqy n ALA 272 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.48 2jqy n ALA 272 Cb 0.00 -2.23 0.11 0.00 0.00 0.00 0.00 19.45 17.33 2jqy n ALA 272 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jqy s GLY 273 N -0.42 1.63 -0.07 0.00 0.00 -1.05 -4.68 107.32 102.72 2jqy s GLY 273 Ca 0.58 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2jqy s GLY 273 CO 0.61 -0.22 -0.06 0.54 0.00 0.00 0.00 173.10 173.97 2jqy s VAL 274 N -3.63 0.74 0.13 1.40 0.11 -0.91 -2.66 120.40 115.58 2jqy s VAL 274 Ca 0.64 -0.17 0.10 0.00 -2.93 0.00 0.00 61.98 59.62 2jqy s VAL 274 Cb -0.10 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2jqy s VAL 274 CO 0.50 0.29 -0.24 -0.83 -3.33 0.00 0.00 175.10 171.49 2jqy s GLY 275 N 1.34 1.45 -0.10 6.54 0.00 0.28 -0.05 107.32 116.78 2jqy s GLY 275 Ca -0.03 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.30 2jqy s GLY 275 CO -0.03 -1.40 -0.15 0.14 0.00 0.00 0.00 173.10 171.66 2jqy s VAL 276 N -1.24 1.44 -0.38 1.40 1.01 0.23 0.22 120.40 123.08 2jqy s VAL 276 Ca 0.12 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2jqy s VAL 276 Cb -0.09 -1.32 0.12 0.00 0.00 0.00 0.00 36.38 35.08 2jqy s VAL 276 CO 0.06 0.43 0.16 0.20 0.00 0.00 0.00 175.10 175.94 2jqy s ASN 277 N 0.98 4.06 -0.16 3.32 0.01 -1.09 -0.36 114.94 121.70 2jqy s ASN 277 Ca -0.07 -2.24 -0.21 0.00 -0.71 0.00 0.00 52.86 49.62 2jqy s ASN 277 Cb -0.15 -1.16 -0.03 0.00 0.41 0.00 0.00 41.25 40.33 2jqy s ASN 277 CO -0.01 -0.34 0.64 -0.47 -1.51 0.00 0.00 177.10 175.41 2jqy s TYR 278 N 0.82 3.44 -0.04 2.20 5.04 0.05 -1.36 117.35 127.51 2jqy s TYR 278 Ca 0.14 1.01 0.03 0.00 -2.44 0.00 0.00 57.07 55.80 2jqy s TYR 278 Cb -0.21 -2.78 -0.03 0.00 0.35 0.00 0.00 41.96 39.29 2jqy s TYR 278 CO -0.10 -0.08 -0.09 0.45 -1.34 0.00 0.00 175.55 174.39 2jqy s SER 279 N 1.03 4.42 0.00 4.32 0.15 -1.09 0.18 113.70 122.71 2jqy s SER 279 Ca 0.31 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2jqy s SER 279 Cb -0.16 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2jqy s SER 279 CO 0.12 0.33 0.00 0.33 1.20 0.00 0.00 173.24 175.22