#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 0.20 -0.19 3.49 8.01 -1.26 -4.98 118.70 123.97 2jqy s GLU 2 Ca 0.00 -0.40 0.15 0.00 0.01 0.00 0.00 54.97 54.73 2jqy s GLU 2 Cb 0.00 -1.15 -0.22 0.00 -4.31 0.00 0.00 34.13 28.45 2jqy s GLU 2 CO 0.00 -0.97 0.03 0.54 0.01 0.00 0.00 175.26 174.87 2jqy n ARG 3 N 5.26 0.93 -0.05 1.61 5.12 -1.26 -4.53 116.66 123.74 2jqy n ARG 3 Ca -0.05 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2jqy n ARG 3 Cb 0.44 -1.47 -0.15 0.00 -1.16 0.00 0.00 32.46 30.11 2jqy n ARG 3 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2jqy n ASN 4 N -2.74 0.53 -2.30 0.55 2.85 -1.26 -4.46 115.26 108.43 2jqy n ASN 4 Ca -0.32 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 53.88 2jqy n ASN 4 Cb 1.08 1.41 0.03 0.00 1.24 0.00 0.00 39.78 43.54 2jqy n ASN 4 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2jqy n ASP 5 N -2.43 6.95 0.00 1.20 8.00 -1.26 -4.42 116.55 124.59 2jqy n ASP 5 Ca -0.17 -3.40 0.00 0.00 0.71 0.00 0.00 54.79 51.93 2jqy n ASP 5 Cb 0.80 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2jqy n ASP 5 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2jqy n TRP 6 N 0.02 0.00 -3.80 1.24 7.02 0.60 -4.56 117.44 117.96 2jqy n TRP 6 Ca 0.47 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.58 2jqy n TRP 6 Cb 0.55 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.31 2jqy n TRP 6 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2jqy s HIS 7 N 0.00 3.21 -0.17 -5.99 2.46 -1.09 -4.89 115.29 108.82 2jqy s HIS 7 Ca 0.00 -1.42 -0.19 0.00 0.47 0.00 0.00 55.06 53.92 2jqy s HIS 7 Cb 0.00 -2.22 -0.03 0.00 -0.13 0.00 0.00 32.58 30.20 2jqy s HIS 7 CO 0.00 -0.71 0.53 -0.06 -2.47 0.00 0.00 174.74 172.03 2jqy s PHE 8 N 1.39 3.42 -0.06 3.88 0.08 -0.36 -2.83 117.98 123.50 2jqy s PHE 8 Ca -0.01 0.85 0.01 0.00 0.12 0.00 0.00 56.93 57.89 2jqy s PHE 8 Cb -0.19 -2.66 0.02 0.00 -0.57 0.00 0.00 43.02 39.63 2jqy s PHE 8 CO 0.01 -0.02 -0.07 -0.80 -0.10 0.00 0.00 175.22 174.24 2jqy s ASN 9 N 0.98 1.46 -0.19 1.36 -0.87 -1.15 -0.79 114.94 115.74 2jqy s ASN 9 Ca 0.26 -0.20 -0.03 0.00 -1.57 0.00 0.00 52.86 51.32 2jqy s ASN 9 Cb -0.15 -0.63 -0.01 0.00 -0.02 0.00 0.00 41.25 40.44 2jqy s ASN 9 CO 0.10 -0.05 -0.07 -0.63 -2.57 0.00 0.00 177.10 173.88 2jqy s ILE 10 N 1.06 3.28 0.29 0.60 1.09 -0.41 -2.05 121.20 125.06 2jqy s ILE 10 Ca -0.08 -0.54 0.11 0.00 -1.10 0.00 0.00 60.65 59.04 2jqy s ILE 10 Cb -0.14 -2.46 -0.05 0.00 -1.06 0.00 0.00 42.46 38.75 2jqy s ILE 10 CO -0.01 0.46 -0.11 -0.83 -0.10 0.00 0.00 174.94 174.35 2jqy s GLY 11 N 1.14 1.85 -0.28 6.18 0.00 -1.08 -0.13 107.32 114.99 2jqy s GLY 11 Ca 0.01 -1.83 -0.16 0.00 0.00 0.00 0.00 44.72 42.75 2jqy s GLY 11 CO -0.01 -1.88 0.72 0.00 0.00 0.00 0.00 173.10 171.92 2jqy s ALA 12 N -2.46 -1.94 -0.13 3.20 0.00 -0.60 -2.50 121.76 117.34 2jqy s ALA 12 Ca 0.31 2.40 -0.02 0.00 0.00 0.00 0.00 51.96 54.65 2jqy s ALA 12 Cb -0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 2jqy s ALA 12 CO 0.17 -0.42 -0.05 1.41 0.00 0.00 0.00 175.76 176.87 2jqy s MET 13 N 1.70 3.38 -0.06 0.00 1.75 0.01 -0.34 119.30 125.73 2jqy s MET 13 Ca -0.10 -0.54 -0.02 0.00 -1.25 0.00 0.00 55.69 53.78 2jqy s MET 13 Cb -0.05 -2.79 0.04 0.00 2.84 0.00 0.00 34.83 34.86 2jqy s MET 13 CO -0.19 0.37 0.12 0.71 -0.65 0.00 0.00 175.02 175.37 2jqy s TYR 14 N 0.00 -0.10 0.05 4.11 2.02 0.79 -2.81 117.35 121.42 2jqy s TYR 14 Ca -0.00 0.43 -0.23 0.00 -0.37 0.00 0.00 57.07 56.90 2jqy s TYR 14 Cb -0.13 -0.23 -0.06 0.00 -0.40 0.00 0.00 41.96 41.14 2jqy s TYR 14 CO 0.03 -0.19 0.67 -2.00 -1.57 0.00 0.00 175.55 172.49 2jqy s GLU 15 N 1.66 4.40 0.47 -0.62 2.12 -1.26 -1.70 118.70 123.77 2jqy s GLU 15 Ca -0.03 0.91 -0.21 0.00 0.36 0.00 0.00 54.97 55.99 2jqy s GLU 15 Cb -0.12 -3.32 -0.08 0.00 0.26 0.00 0.00 34.13 30.86 2jqy s GLU 15 CO -0.05 0.40 1.05 0.42 -0.54 0.00 0.00 175.26 176.55 2jqy s ILE 16 N -0.40 3.69 0.05 -3.70 -1.09 -1.23 -4.95 121.20 113.58 2jqy s ILE 16 Ca 0.34 1.11 -0.03 0.00 -2.23 0.00 0.00 60.65 59.84 2jqy s ILE 16 Cb -0.20 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2jqy s ILE 16 CO 0.21 -0.17 0.02 -0.70 -1.23 0.00 0.00 174.94 173.07 2jqy s GLU 17 N -3.06 0.61 0.46 2.79 2.12 -1.26 -4.86 118.70 115.50 2jqy s GLU 17 Ca 0.66 -1.04 -0.22 0.00 0.36 0.00 0.00 54.97 54.73 2jqy s GLU 17 Cb -0.19 0.22 -0.08 0.00 0.26 0.00 0.00 34.13 34.35 2jqy s GLU 17 CO 0.23 -0.13 1.09 -0.80 -0.54 0.00 0.00 175.26 175.10 2jqy s ASN 18 N -2.64 6.32 -0.23 -1.70 0.01 -1.26 -5.04 114.94 110.40 2jqy s ASN 18 Ca 0.02 2.09 0.01 0.00 -0.71 0.00 0.00 52.86 54.27 2jqy s ASN 18 Cb 0.04 -2.58 0.06 0.00 0.41 0.00 0.00 41.25 39.18 2jqy s ASN 18 CO -0.08 -0.80 -0.07 0.68 -1.51 0.00 0.00 177.10 175.32 2jqy s VAL 19 N -1.75 1.64 -0.07 1.60 -7.23 -1.26 -5.00 120.40 108.33 2jqy s VAL 19 Ca 0.65 -1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2jqy s VAL 19 Cb -0.22 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.90 2jqy s VAL 19 CO 0.27 -0.04 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.40 2jqy s GLU 20 N 1.35 0.69 0.00 4.82 8.01 -1.26 -5.11 118.70 127.21 2jqy s GLU 20 Ca -0.05 0.07 0.00 0.00 0.01 0.00 0.00 54.97 54.99 2jqy s GLU 20 Cb -0.19 -1.01 0.00 0.00 -4.31 0.00 0.00 34.13 28.63 2jqy s GLU 20 CO -0.06 -0.29 0.00 0.41 0.01 0.00 0.00 175.26 175.33 2jqy n GLY 21 N 5.06 4.42 0.25 -1.39 0.00 -1.26 -4.60 105.19 107.67 2jqy n GLY 21 Ca -0.09 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 2jqy n GLY 21 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jqy h TYR 22 N 0.00 0.94 0.00 1.61 -1.99 -2.02 -3.45 116.97 112.06 2jqy h TYR 22 Ca 0.00 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.55 2jqy h TYR 22 Cb 0.00 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.49 2jqy h TYR 22 CO 0.00 0.92 0.00 0.41 -0.00 0.00 0.00 178.16 179.49 2jqy n GLY 23 N -0.29 0.89 3.74 3.88 0.00 -1.26 -5.10 105.19 107.05 2jqy n GLY 23 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2jqy n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jqy s GLU 24 N 1.31 3.04 -0.37 1.61 2.02 -1.26 -5.04 118.70 120.01 2jqy s GLU 24 Ca 0.00 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 54.60 2jqy s GLU 24 Cb 0.00 -2.85 0.18 0.00 0.10 0.00 0.00 34.13 31.57 2jqy s GLU 24 CO 0.00 0.69 0.74 -0.51 0.02 0.00 0.00 175.26 176.20 2jqy s ASP 25 N -1.24 -1.21 -0.01 -0.19 1.01 -1.26 -4.96 116.67 108.80 2jqy s ASP 25 Ca 0.17 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.97 2jqy s ASP 25 Cb -0.12 1.59 0.01 0.00 1.01 0.00 0.00 42.92 45.41 2jqy s ASP 25 CO 0.07 -0.15 0.01 0.00 0.21 0.00 0.00 175.17 175.31 2jqy s MET 26 N 2.08 0.05 -0.03 8.23 0.23 -1.26 -4.58 119.30 124.02 2jqy s MET 26 Ca 0.16 0.07 0.08 0.00 -1.03 0.00 0.00 55.69 54.96 2jqy s MET 26 Cb -0.03 -0.18 0.14 0.00 -1.53 0.00 0.00 34.83 33.23 2jqy s MET 26 CO -0.12 -0.07 1.08 -3.47 -2.03 0.00 0.00 175.02 170.40 2jqy n ASP 27 N 3.63 -0.48 -4.77 -1.18 2.03 -1.26 -5.13 116.55 109.38 2jqy n ASP 27 Ca -0.20 -2.01 -0.22 0.00 0.52 0.00 0.00 54.79 52.87 2jqy n ASP 27 Cb 0.55 0.16 -0.05 0.00 -0.72 0.00 0.00 41.12 41.05 2jqy n ASP 27 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2jqy s GLY 28 N -1.32 1.90 -0.20 0.27 0.00 -1.26 -4.96 107.32 101.75 2jqy s GLY 28 Ca 0.10 -1.78 -0.29 0.00 0.00 0.00 0.00 44.72 42.75 2jqy s GLY 28 CO -0.05 -1.70 1.04 0.48 0.00 0.00 0.00 173.10 172.86 2jqy s LEU 29 N -3.89 4.13 -0.11 0.66 0.05 -1.26 -4.25 118.68 114.01 2jqy s LEU 29 Ca 0.39 1.42 0.03 0.00 0.05 0.00 0.00 54.13 56.02 2jqy s LEU 29 Cb -0.03 -3.54 0.00 0.00 -2.05 0.00 0.00 46.19 40.57 2jqy s LEU 29 CO 0.24 -0.63 -0.21 0.00 -0.55 0.00 0.00 176.35 175.19 2jqy s ALA 30 N 2.98 2.04 -0.37 1.48 0.00 -0.90 -5.00 121.76 121.99 2jqy s ALA 30 Ca 0.45 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2jqy s ALA 30 Cb -0.16 -0.82 0.13 0.00 0.00 0.00 0.00 23.12 22.27 2jqy s ALA 30 CO 0.08 0.17 0.20 -1.83 0.00 0.00 0.00 175.76 174.38 2jqy s GLU 31 N 0.54 0.81 0.81 0.00 -1.05 -1.26 -3.09 118.70 115.46 2jqy s GLU 31 Ca -0.15 -1.47 -0.11 0.00 -0.15 0.00 0.00 54.97 53.09 2jqy s GLU 31 Cb -0.17 -1.76 0.08 0.00 -0.44 0.00 0.00 34.13 31.84 2jqy s GLU 31 CO 0.05 -1.15 1.10 -1.25 0.95 0.00 0.00 175.26 174.96 2jqy s PRO 32 N 0.97 1.94 -0.03 -4.83 0.04 -1.26 -4.89 135.00 126.95 2jqy s PRO 32 Ca 0.16 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.38 2jqy s PRO 32 Cb -0.22 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2jqy s PRO 32 CO -0.06 -1.87 -0.01 0.45 0.04 0.00 0.00 177.00 175.55 2jqy s SER 33 N -3.29 0.47 0.20 6.66 0.15 -1.12 -4.49 113.70 112.27 2jqy s SER 33 Ca 0.62 -0.05 0.06 0.00 0.70 0.00 0.00 55.95 57.28 2jqy s SER 33 Cb -0.18 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 2jqy s SER 33 CO 0.56 -0.06 0.17 -0.69 1.20 0.00 0.00 173.24 174.42 2jqy s VAL 34 N 0.76 4.52 0.01 4.45 1.01 -1.17 -0.81 120.40 129.17 2jqy s VAL 34 Ca -0.08 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 2jqy s VAL 34 Cb -0.11 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2jqy s VAL 34 CO -0.01 -0.21 0.03 -0.31 0.00 0.00 0.00 175.10 174.60 2jqy s TYR 35 N -1.91 0.13 -0.17 5.22 1.51 -1.04 -1.79 117.35 119.31 2jqy s TYR 35 Ca 0.32 -0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 56.07 2jqy s TYR 35 Cb -0.09 -0.10 0.08 0.00 -0.11 0.00 0.00 41.96 41.73 2jqy s TYR 35 CO 0.24 -0.17 0.23 -0.06 -1.11 0.00 0.00 175.55 174.68 2jqy s PHE 36 N -1.08 -0.32 0.15 2.71 0.08 0.28 -2.65 117.98 117.15 2jqy s PHE 36 Ca -0.12 0.49 0.07 0.00 0.12 0.00 0.00 56.93 57.50 2jqy s PHE 36 Cb -0.07 -0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 2jqy s PHE 36 CO -0.00 -0.50 -0.04 1.21 -0.10 0.00 0.00 175.22 175.79 2jqy s ASN 37 N 2.35 4.62 -0.27 1.36 2.47 -0.87 0.28 114.94 124.89 2jqy s ASN 37 Ca 0.05 -0.41 -0.04 0.00 0.42 0.00 0.00 52.86 52.88 2jqy s ASN 37 Cb -0.14 -0.94 0.15 0.00 -1.45 0.00 0.00 41.25 38.86 2jqy s ASN 37 CO -0.10 0.12 0.53 0.00 -3.72 0.00 0.00 177.10 173.93 2jqy s ALA 38 N -1.57 -1.76 -0.25 1.71 0.00 -0.65 -2.92 121.76 116.32 2jqy s ALA 38 Ca 0.26 1.69 -0.12 0.00 0.00 0.00 0.00 51.96 53.79 2jqy s ALA 38 Cb -0.10 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 2jqy s ALA 38 CO 0.17 -1.13 0.23 0.00 0.00 0.00 0.00 175.76 175.03 2jqy s ALA 39 N 2.76 3.57 -0.41 0.00 0.00 -1.13 0.57 121.76 127.12 2jqy s ALA 39 Ca 0.09 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.16 2jqy s ALA 39 Cb -0.14 -2.48 0.14 0.00 0.00 0.00 0.00 23.12 20.65 2jqy s ALA 39 CO -0.18 -0.41 0.25 -0.80 0.00 0.00 0.00 175.76 174.62 2jqy s ASN 40 N 1.40 3.15 1.77 0.00 -0.87 -0.39 -0.29 114.94 119.70 2jqy s ASN 40 Ca 0.10 -2.54 0.00 0.00 -1.57 0.00 0.00 52.86 48.85 2jqy s ASN 40 Cb -0.15 -0.72 0.00 0.00 -0.02 0.00 0.00 41.25 40.36 2jqy s ASN 40 CO 0.08 -0.27 0.00 0.61 -2.57 0.00 0.00 177.10 174.95 2jqy n GLY 41 N 3.62 3.94 1.27 0.66 0.00 -1.26 -1.51 105.19 111.91 2jqy n GLY 41 Ca 0.13 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 14.00 1.97 -3.61 1.61 -0.04 -1.26 -4.72 135.00 142.95 2jqy n PRO 42 Ca 0.00 -1.19 -0.25 0.00 -0.04 0.00 0.00 63.50 62.02 2jqy n PRO 42 Cb 0.00 -1.62 -0.17 0.00 -0.04 0.00 0.00 33.50 31.67 2jqy n PRO 42 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2jqy s TRP 43 N -1.46 0.17 0.27 0.54 -0.00 -0.57 -3.07 118.94 114.83 2jqy s TRP 43 Ca 0.22 -0.26 -0.00 0.00 -0.00 0.00 0.00 56.10 56.06 2jqy s TRP 43 Cb 0.17 -0.67 -0.04 0.00 -0.00 0.00 0.00 33.47 32.94 2jqy s TRP 43 CO 0.05 -0.49 0.47 0.50 -0.00 0.00 0.00 176.95 177.48 2jqy s ARG 44 N 2.15 3.51 -0.05 5.86 3.52 -1.14 -1.27 118.95 131.54 2jqy s ARG 44 Ca 0.02 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.32 2jqy s ARG 44 Cb -0.16 -2.75 -0.00 0.00 -1.56 0.00 0.00 34.95 30.48 2jqy s ARG 44 CO -0.09 0.28 -0.16 0.42 -0.81 0.00 0.00 175.30 174.94 2jqy s ILE 45 N -2.09 1.39 -0.31 4.11 -1.09 0.19 -2.76 121.20 120.65 2jqy s ILE 45 Ca 0.39 -0.69 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 2jqy s ILE 45 Cb -0.10 -1.20 0.12 0.00 -1.58 0.00 0.00 42.46 39.69 2jqy s ILE 45 CO 0.32 0.40 0.18 0.00 -1.23 0.00 0.00 174.94 174.61 2jqy s ALA 46 N 0.11 0.53 -0.23 9.38 0.00 0.31 -1.63 121.76 130.22 2jqy s ALA 46 Ca -0.05 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 2jqy s ALA 46 Cb -0.12 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.51 2jqy s ALA 46 CO 0.02 -1.79 -0.10 -1.17 0.00 0.00 0.00 175.76 172.73 2jqy s LEU 47 N 1.85 2.96 0.02 0.00 0.20 0.14 -0.03 118.68 123.82 2jqy s LEU 47 Ca 0.12 -0.86 0.07 0.00 0.69 0.00 0.00 54.13 54.15 2jqy s LEU 47 Cb -0.17 -1.61 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 2jqy s LEU 47 CO -0.26 -0.10 -0.22 0.00 -0.29 0.00 0.00 176.35 175.48 2jqy s ALA 48 N 1.30 1.85 -0.27 5.97 0.00 -0.13 0.98 121.76 131.46 2jqy s ALA 48 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 2jqy s ALA 48 Cb -0.16 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2jqy s ALA 48 CO -0.06 0.44 0.28 0.71 0.00 0.00 0.00 175.76 177.12 2jqy s TYR 49 N -0.68 3.24 -0.34 0.00 2.02 -0.74 0.12 117.35 120.97 2jqy s TYR 49 Ca 0.09 0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 57.03 2jqy s TYR 49 Cb -0.09 -2.46 0.07 0.00 -0.40 0.00 0.00 41.96 39.08 2jqy s TYR 49 CO 0.01 -0.17 0.09 -0.47 -1.57 0.00 0.00 175.55 173.44 2jqy s TYR 50 N 1.82 3.36 0.15 2.71 5.04 -1.05 -3.02 117.35 126.37 2jqy s TYR 50 Ca 0.11 -1.93 -0.16 0.00 -2.44 0.00 0.00 57.07 52.65 2jqy s TYR 50 Cb -0.16 -2.51 0.03 0.00 0.35 0.00 0.00 41.96 39.68 2jqy s TYR 50 CO 0.10 -0.84 0.44 1.14 -1.34 0.00 0.00 175.55 175.05 2jqy s GLN 51 N 1.26 1.19 0.15 4.97 -2.07 -1.26 -2.42 119.66 121.47 2jqy s GLN 51 Ca -0.00 -0.80 0.04 0.00 -1.82 0.00 0.00 55.36 52.78 2jqy s GLN 51 Cb -0.21 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 2jqy s GLN 51 CO -0.01 -0.48 0.14 -2.00 -1.32 0.00 0.00 175.29 171.62 2jqy s GLU 52 N -3.84 2.95 0.00 9.60 2.12 -1.26 -4.43 118.70 123.84 2jqy s GLU 52 Ca 0.06 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.59 2jqy s GLU 52 Cb 0.01 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.71 2jqy s GLU 52 CO -0.08 0.50 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 2jqy n GLY 53 N -0.21 3.83 3.43 -1.50 0.00 -1.18 -5.02 105.19 104.56 2jqy n GLY 53 Ca -0.08 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2jqy n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jqy n PRO 54 N 0.00 0.20 0.00 1.61 -0.02 -1.24 -4.83 135.00 130.71 2jqy n PRO 54 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2jqy n PRO 54 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2jqy n PRO 54 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2jqy n VAL 55 N -2.52 0.00 0.00 -1.45 3.14 -1.26 -2.12 118.33 114.12 2jqy n VAL 55 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 2jqy n VAL 55 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 2jqy n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2jqy n ASP 56 N -0.64 0.00 -3.63 6.55 2.03 -1.26 -4.49 116.55 115.10 2jqy n ASP 56 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2jqy n ASP 56 Cb 0.00 0.08 -0.06 0.00 -0.72 0.00 0.00 41.12 40.42 2jqy n ASP 56 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jqy s TYR 57 N -1.76 -1.07 0.81 -0.67 5.04 -1.26 -5.15 117.35 113.29 2jqy s TYR 57 Ca 0.00 2.05 -0.11 0.00 -2.44 0.00 0.00 57.07 56.57 2jqy s TYR 57 Cb 0.00 0.64 0.08 0.00 0.35 0.00 0.00 41.96 43.03 2jqy s TYR 57 CO 0.00 -0.53 1.09 -1.12 -1.34 0.00 0.00 175.55 173.65 2jqy s SER 58 N 1.93 4.19 0.40 4.32 0.01 -1.26 -5.01 113.70 118.28 2jqy s SER 58 Ca -0.09 1.74 0.08 0.00 1.31 0.00 0.00 55.95 58.99 2jqy s SER 58 Cb -0.07 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 2jqy s SER 58 CO -0.19 -2.22 0.37 0.00 0.41 0.00 0.00 173.24 171.61 2jqy s ALA 59 N -2.91 4.05 -0.45 1.44 0.00 -1.26 -5.03 121.76 117.60 2jqy s ALA 59 Ca 0.62 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.80 2jqy s ALA 59 Cb -0.17 -1.10 0.63 0.00 0.00 0.00 0.00 23.12 22.47 2jqy s ALA 59 CO 0.56 -0.17 1.88 0.41 0.00 0.00 0.00 175.76 178.44 2jqy n GLY 60 N -1.53 4.71 2.86 0.00 0.00 -1.26 -4.95 105.19 105.02 2jqy n GLY 60 Ca 0.03 -1.25 -0.07 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.12 -2.18 0.00 1.61 5.02 -1.26 -5.00 118.16 115.22 2jqy n LYS 61 Ca 0.57 2.01 0.00 0.00 -2.02 0.00 0.00 58.31 58.87 2jqy n LYS 61 Cb 1.50 -5.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.88 2jqy n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jqy n ARG 62 N -0.53 0.00 0.18 1.97 5.12 -1.26 -4.93 116.66 117.20 2jqy n ARG 62 Ca 0.10 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.93 2jqy n ARG 62 Cb 0.46 -0.34 -0.04 0.00 -1.16 0.00 0.00 32.46 31.38 2jqy n ARG 62 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2jqy h GLY 63 N 0.00 -0.54 -3.39 -0.13 0.00 -1.86 -3.45 103.07 93.69 2jqy h GLY 63 Ca 0.00 0.20 0.38 0.00 0.00 0.00 0.00 47.33 47.91 2jqy h GLY 63 CO 0.00 -0.20 -0.87 2.41 0.00 0.00 0.00 176.54 177.89 2jqy n THR 64 N -5.12 0.00 -2.70 4.70 -1.04 -1.25 -4.67 114.28 104.19 2jqy n THR 64 Ca -0.07 0.43 -0.21 0.00 -2.04 0.00 0.00 64.05 62.16 2jqy n THR 64 Cb 0.22 -0.92 0.01 0.00 -1.82 0.00 0.00 70.33 67.82 2jqy n THR 64 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2jqy n TRP 65 N -4.33 -1.44 -2.77 -1.42 5.03 -1.26 -4.42 117.44 106.84 2jqy n TRP 65 Ca -0.03 0.26 -0.41 0.00 3.03 0.00 0.00 57.50 60.35 2jqy n TRP 65 Cb 0.68 -4.10 -0.04 0.00 -1.03 0.00 0.00 31.31 26.82 2jqy n TRP 65 CO 0.00 0.00 0.00 0.12 -0.03 0.00 0.00 177.69 177.78 2jqy s PHE 66 N -3.08 3.73 0.00 -5.99 5.36 -1.24 -4.23 117.98 112.52 2jqy s PHE 66 Ca 0.15 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.81 2jqy s PHE 66 Cb -0.07 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.57 2jqy s PHE 66 CO 0.19 0.12 0.00 -3.47 -1.46 0.00 0.00 175.22 170.60 2jqy n ASP 67 N 3.31 -5.17 -3.62 6.13 -0.08 -1.25 -4.87 116.55 111.01 2jqy n ASP 67 Ca 0.03 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.21 2jqy n ASP 67 Cb 0.50 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.93 2jqy n ASP 67 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2jqy s ARG 68 N 0.00 1.37 0.00 -0.67 1.81 -1.02 -4.80 118.95 115.64 2jqy s ARG 68 Ca 0.00 -0.71 0.00 0.00 -1.72 0.00 0.00 55.73 53.30 2jqy s ARG 68 Cb 0.00 0.56 0.00 0.00 -0.45 0.00 0.00 34.95 35.06 2jqy s ARG 68 CO 0.00 -0.59 0.00 -0.35 -0.68 0.00 0.00 175.30 173.68 2jqy n PRO 69 N -0.36 0.61 -3.69 3.54 -0.04 -1.26 -2.53 135.00 131.27 2jqy n PRO 69 Ca -0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 2jqy n PRO 69 Cb 0.63 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.96 2jqy n PRO 69 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2jqy s GLU 70 N -1.69 0.17 0.18 0.54 2.12 0.31 -3.77 118.70 116.55 2jqy s GLU 70 Ca 0.00 0.67 0.01 0.00 0.36 0.00 0.00 54.97 56.01 2jqy s GLU 70 Cb 0.00 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 2jqy s GLU 70 CO 0.00 -0.24 0.34 -0.51 -0.54 0.00 0.00 175.26 174.31 2jqy s LEU 71 N 2.00 4.29 -0.28 2.70 1.43 -0.92 -0.96 118.68 126.93 2jqy s LEU 71 Ca -0.03 0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 2jqy s LEU 71 Cb -0.11 -3.02 0.10 0.00 0.03 0.00 0.00 46.19 43.19 2jqy s LEU 71 CO -0.08 -0.00 0.75 -0.70 0.23 0.00 0.00 176.35 176.54 2jqy s GLU 72 N -3.33 0.62 0.14 1.70 2.12 0.95 -1.20 118.70 119.70 2jqy s GLU 72 Ca 0.36 1.14 0.06 0.00 0.36 0.00 0.00 54.97 56.89 2jqy s GLU 72 Cb -0.11 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 2jqy s GLU 72 CO 0.29 -0.14 -0.13 0.14 -0.54 0.00 0.00 175.26 174.88 2jqy s VAL 73 N 1.78 1.32 0.05 3.70 -7.23 0.24 0.11 120.40 120.38 2jqy s VAL 73 Ca -0.09 -1.89 0.09 0.00 -1.81 0.00 0.00 61.98 58.28 2jqy s VAL 73 Cb -0.06 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2jqy s VAL 73 CO -0.19 -0.55 -0.25 -1.00 -0.31 0.00 0.00 175.10 172.80 2jqy s HIS 74 N -2.64 2.18 -0.09 2.82 3.76 -1.11 -0.08 115.29 120.13 2jqy s HIS 74 Ca 0.13 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 2jqy s HIS 74 Cb -0.02 -1.29 0.01 0.00 1.11 0.00 0.00 32.58 32.39 2jqy s HIS 74 CO 0.03 0.14 -0.16 0.71 -0.85 0.00 0.00 174.74 174.60 2jqy s TYR 75 N -0.84 1.92 -0.38 1.40 2.02 0.76 -2.87 117.35 119.36 2jqy s TYR 75 Ca 0.11 -0.80 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 2jqy s TYR 75 Cb -0.10 -1.36 0.10 0.00 -0.40 0.00 0.00 41.96 40.20 2jqy s TYR 75 CO 0.02 -0.38 0.15 -0.65 -1.57 0.00 0.00 175.55 173.12 2jqy s GLN 76 N 0.69 2.07 0.00 -0.62 -0.21 -1.17 -1.66 119.66 118.76 2jqy s GLN 76 Ca -0.13 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.56 2jqy s GLN 76 Cb -0.16 -3.48 0.00 0.00 1.00 0.00 0.00 33.01 30.37 2jqy s GLN 76 CO 0.03 -0.96 0.00 1.19 -2.12 0.00 0.00 175.29 173.43 2jqy n PHE 77 N 4.58 0.00 -3.78 0.91 3.01 -1.16 -4.88 117.46 116.15 2jqy n PHE 77 Ca -0.04 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.05 2jqy n PHE 77 Cb 0.42 -0.26 -0.13 0.00 -0.01 0.00 0.00 39.48 39.51 2jqy n PHE 77 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2jqy s LEU 78 N -3.16 3.40 -0.46 4.37 0.20 -1.25 -5.02 118.68 116.76 2jqy s LEU 78 Ca 0.00 -0.21 -0.17 0.00 0.69 0.00 0.00 54.13 54.44 2jqy s LEU 78 Cb 0.00 -1.91 0.05 0.00 -0.43 0.00 0.00 46.19 43.90 2jqy s LEU 78 CO 0.00 -0.03 0.46 -1.61 -0.29 0.00 0.00 176.35 174.89 2jqy s GLU 79 N 1.56 3.06 -0.20 1.98 2.02 -1.26 -2.57 118.70 123.29 2jqy s GLU 79 Ca 0.06 -0.99 -0.26 0.00 0.02 0.00 0.00 54.97 53.80 2jqy s GLU 79 Cb -0.15 -4.05 0.07 0.00 0.10 0.00 0.00 34.13 30.09 2jqy s GLU 79 CO 0.03 -1.00 0.69 1.21 0.02 0.00 0.00 175.26 176.22 2jqy s ASN 80 N 2.27 -0.71 0.16 -0.19 2.47 -1.26 -4.99 114.94 112.69 2jqy s ASN 80 Ca 0.10 1.22 0.25 0.00 0.42 0.00 0.00 52.86 54.85 2jqy s ASN 80 Cb -0.20 1.19 0.92 0.00 -1.45 0.00 0.00 41.25 41.71 2jqy s ASN 80 CO 0.11 -0.34 1.78 0.47 -3.72 0.00 0.00 177.10 175.39 2jqy n ASP 81 N 2.21 0.56 -0.13 -4.21 8.00 -1.26 -2.99 116.55 118.72 2jqy n ASP 81 Ca -0.15 0.57 -0.21 0.00 0.71 0.00 0.00 54.79 55.71 2jqy n ASP 81 Cb 0.56 -0.71 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 2jqy n ASP 81 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jqy n ASP 82 N -2.04 1.98 -3.42 -2.24 -0.08 -1.26 -1.99 116.55 107.50 2jqy n ASP 82 Ca 0.05 -0.01 -0.27 0.00 -1.51 0.00 0.00 54.79 53.06 2jqy n ASP 82 Cb 0.36 -0.52 -0.11 0.00 2.34 0.00 0.00 41.12 43.19 2jqy n ASP 82 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2jqy s PHE 83 N -2.51 0.62 0.24 -0.67 0.08 -1.24 -4.36 117.98 110.14 2jqy s PHE 83 Ca -0.36 -1.66 0.08 0.00 0.12 0.00 0.00 56.93 55.11 2jqy s PHE 83 Cb 0.11 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.70 2jqy s PHE 83 CO 0.56 -0.86 0.10 -1.12 -0.10 0.00 0.00 175.22 173.81 2jqy s SER 84 N 0.88 5.12 -0.07 1.36 0.01 0.20 -4.28 113.70 116.91 2jqy s SER 84 Ca 0.22 -0.39 -0.06 0.00 1.31 0.00 0.00 55.95 57.03 2jqy s SER 84 Cb -0.15 -1.18 0.02 0.00 0.21 0.00 0.00 66.02 64.92 2jqy s SER 84 CO -0.04 -0.00 0.18 0.12 0.41 0.00 0.00 173.24 173.91 2jqy s PHE 85 N -2.13 -0.21 -0.10 2.43 2.19 -1.06 -1.58 117.98 117.52 2jqy s PHE 85 Ca 0.32 0.52 -0.11 0.00 0.33 0.00 0.00 56.93 57.98 2jqy s PHE 85 Cb -0.08 0.05 0.03 0.00 -1.31 0.00 0.00 43.02 41.71 2jqy s PHE 85 CO 0.22 -0.12 0.30 0.20 1.83 0.00 0.00 175.22 177.66 2jqy s GLY 86 N 0.33 -0.21 -0.16 13.12 0.00 0.47 -2.99 107.32 117.87 2jqy s GLY 86 Ca -0.02 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.49 2jqy s GLY 86 CO -0.01 0.65 -0.20 -2.27 0.00 0.00 0.00 173.10 171.26 2jqy s LEU 87 N -0.04 2.06 -0.30 0.66 0.20 -0.66 0.10 118.68 120.70 2jqy s LEU 87 Ca -0.02 -0.60 -0.10 0.00 0.69 0.00 0.00 54.13 54.09 2jqy s LEU 87 Cb -0.03 -1.42 -0.02 0.00 -0.43 0.00 0.00 46.19 44.30 2jqy s LEU 87 CO 0.01 0.03 0.17 -0.89 -0.29 0.00 0.00 176.35 175.38 2jqy s THR 88 N 1.09 4.87 -0.28 3.68 2.01 -1.05 -0.17 115.64 125.79 2jqy s THR 88 Ca -0.01 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 2jqy s THR 88 Cb -0.14 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2jqy s THR 88 CO -0.07 0.13 0.05 -0.83 -0.69 0.00 0.00 174.62 173.21 2jqy s GLY 89 N 1.67 1.75 0.05 4.40 0.00 0.89 -1.49 107.32 114.59 2jqy s GLY 89 Ca 0.06 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 43.44 2jqy s GLY 89 CO 0.08 0.60 -0.14 -0.32 0.00 0.00 0.00 173.10 173.32 2jqy s GLY 90 N 1.50 0.80 -0.14 0.20 0.00 -0.88 0.81 107.32 109.61 2jqy s GLY 90 Ca 0.03 -0.87 -0.05 0.00 0.00 0.00 0.00 44.72 43.83 2jqy s GLY 90 CO 0.01 -0.86 0.05 -1.36 0.00 0.00 0.00 173.10 170.94 2jqy s PHE 91 N -0.98 3.26 -0.15 1.90 0.40 -0.34 -1.65 117.98 120.41 2jqy s PHE 91 Ca 0.00 0.16 -0.05 0.00 -0.60 0.00 0.00 56.93 56.44 2jqy s PHE 91 Cb -0.08 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 2jqy s PHE 91 CO 0.02 0.34 0.02 1.03 0.70 0.00 0.00 175.22 177.32 2jqy s ARG 92 N -0.28 3.63 -0.12 0.44 1.81 -0.60 -2.17 118.95 121.66 2jqy s ARG 92 Ca 0.08 -0.41 -0.03 0.00 -1.72 0.00 0.00 55.73 53.65 2jqy s ARG 92 Cb -0.12 -3.02 0.04 0.00 -0.45 0.00 0.00 34.95 31.40 2jqy s ARG 92 CO 0.02 0.38 0.05 -0.80 -0.68 0.00 0.00 175.30 174.27 2jqy s ASN 93 N 0.02 1.94 0.01 0.23 -0.87 -1.25 -2.75 114.94 112.28 2jqy s ASN 93 Ca 0.04 -0.34 -0.01 0.00 -1.57 0.00 0.00 52.86 50.98 2jqy s ASN 93 Cb -0.13 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.25 40.76 2jqy s ASN 93 CO 0.02 -0.28 -0.01 -0.31 -2.57 0.00 0.00 177.10 173.95 2jqy s TYR 94 N 2.05 0.19 -2.66 2.20 2.02 -1.04 -4.07 117.35 116.03 2jqy s TYR 94 Ca 0.03 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2jqy s TYR 94 Cb -0.14 -0.14 0.00 0.00 -0.40 0.00 0.00 41.96 41.28 2jqy s TYR 94 CO -0.06 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.17 2jqy n GLY 95 N 1.88 -1.05 3.14 0.71 0.00 -1.26 -0.76 105.19 107.84 2jqy n GLY 95 Ca -0.22 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.00 0.83 -0.31 1.61 1.51 -1.06 -3.83 117.35 113.10 2jqy s TYR 96 Ca 0.00 -0.79 -0.12 0.00 -1.01 0.00 0.00 57.07 55.14 2jqy s TYR 96 Cb 0.00 -0.48 0.19 0.00 -0.11 0.00 0.00 41.96 41.55 2jqy s TYR 96 CO 0.00 -0.13 1.10 -1.58 -1.11 0.00 0.00 175.55 173.83 2jqy s HIS 97 N -2.97 -0.27 0.00 2.71 2.46 -1.24 -1.92 115.29 114.06 2jqy s HIS 97 Ca 0.05 0.11 0.00 0.00 0.47 0.00 0.00 55.06 55.69 2jqy s HIS 97 Cb 0.01 0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.51 2jqy s HIS 97 CO -0.03 -0.17 0.00 0.66 -2.47 0.00 0.00 174.74 172.73 2jqy n TYR 98 N 4.44 0.00 0.15 3.88 4.01 -1.24 -3.67 117.16 124.73 2jqy n TYR 98 Ca 0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.76 2jqy n TYR 98 Cb 0.61 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.61 2jqy n TYR 98 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2jqy h VAL 99 N 0.84 0.00 0.00 -0.72 2.07 -1.88 -3.40 116.25 113.16 2jqy h VAL 99 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2jqy h VAL 99 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2jqy h VAL 99 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 2jqy n ASP 100 N -3.10 -0.06 -2.50 0.57 9.92 -1.26 -4.89 116.55 115.24 2jqy n ASP 100 Ca -0.05 0.16 -0.03 0.00 -0.53 0.00 0.00 54.79 54.34 2jqy n ASP 100 Cb 0.16 0.14 -0.03 0.00 -0.64 0.00 0.00 41.12 40.74 2jqy n ASP 100 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jqy n GLU 101 N -2.82 -4.94 -1.89 -1.24 -0.58 -1.26 -4.51 120.64 103.40 2jqy n GLU 101 Ca 0.00 3.65 -0.26 0.00 -0.42 0.00 0.00 57.16 60.13 2jqy n GLU 101 Cb 0.00 -4.98 -0.08 0.00 -0.57 0.00 0.00 31.44 25.82 2jqy n GLU 101 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2jqy n PRO 102 N 1.79 1.22 0.00 3.49 -0.04 -1.26 -4.14 135.00 136.05 2jqy n PRO 102 Ca -0.25 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 60.97 2jqy n PRO 102 Cb 0.38 -3.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.11 2jqy n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jqy n GLY 103 N 5.80 0.63 1.80 0.55 0.00 -1.26 -5.11 105.19 107.60 2jqy n GLY 103 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2jqy n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jqy n LYS 104 N 0.00 -4.80 -1.21 1.61 5.02 -1.26 -5.02 118.16 112.50 2jqy n LYS 104 Ca 0.00 3.46 -0.03 0.00 -2.02 0.00 0.00 58.31 59.72 2jqy n LYS 104 Cb 0.00 -3.69 -0.04 0.00 -0.02 0.00 0.00 35.03 31.28 2jqy n LYS 104 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jqy n ASP 105 N 1.32 -0.30 -3.64 4.39 2.03 -1.26 -4.89 116.55 114.21 2jqy n ASP 105 Ca 0.00 -2.00 -0.05 0.00 0.52 0.00 0.00 54.79 53.25 2jqy n ASP 105 Cb 0.00 0.09 -0.07 0.00 -0.72 0.00 0.00 41.12 40.43 2jqy n ASP 105 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jqy s THR 106 N -0.03 -0.06 -0.16 5.18 2.01 -1.25 -3.69 115.64 117.65 2jqy s THR 106 Ca 0.12 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 2jqy s THR 106 Cb 0.14 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.76 2jqy s THR 106 CO -0.06 0.00 0.91 0.00 -0.69 0.00 0.00 174.62 174.78 2jqy s ALA 107 N 1.64 -1.89 -0.29 7.40 0.00 -0.81 -4.66 121.76 123.15 2jqy s ALA 107 Ca -0.09 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.48 2jqy s ALA 107 Cb -0.05 -0.66 0.17 0.00 0.00 0.00 0.00 23.12 22.57 2jqy s ALA 107 CO -0.19 -0.31 0.44 1.21 0.00 0.00 0.00 175.76 176.91 2jqy s ASN 108 N -0.86 0.02 0.01 0.00 2.47 -1.26 -2.56 114.94 112.77 2jqy s ASN 108 Ca -0.03 -0.28 0.08 0.00 0.42 0.00 0.00 52.86 53.04 2jqy s ASN 108 Cb -0.01 1.27 -0.03 0.00 -1.45 0.00 0.00 41.25 41.03 2jqy s ASN 108 CO 0.03 -0.34 -0.23 -0.04 -3.72 0.00 0.00 177.10 172.79 2jqy s MET 109 N 2.60 2.03 -0.04 0.43 -1.94 0.06 -4.46 119.30 117.97 2jqy s MET 109 Ca 0.10 -0.98 0.02 0.00 -1.71 0.00 0.00 55.69 53.11 2jqy s MET 109 Cb -0.12 -2.08 0.01 0.00 2.01 0.00 0.00 34.83 34.65 2jqy s MET 109 CO -0.30 0.55 -0.08 -1.14 -0.01 0.00 0.00 175.02 174.04 2jqy s GLN 110 N -1.02 1.01 -0.04 2.03 0.74 -0.25 -2.51 119.66 119.62 2jqy s GLN 110 Ca 0.12 -0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.28 2jqy s GLN 110 Cb -0.10 -0.93 0.02 0.00 1.10 0.00 0.00 33.01 33.10 2jqy s GLN 110 CO 0.02 0.04 -0.03 1.03 -0.55 0.00 0.00 175.29 175.80 2jqy s ARG 111 N 0.46 0.61 0.19 1.67 0.52 -1.11 0.60 118.95 121.89 2jqy s ARG 111 Ca -0.07 -0.03 -0.21 0.00 -0.52 0.00 0.00 55.73 54.90 2jqy s ARG 111 Cb -0.11 -0.69 -0.08 0.00 0.52 0.00 0.00 34.95 34.59 2jqy s ARG 111 CO 0.01 -0.10 0.71 -0.46 0.02 0.00 0.00 175.30 175.48 2jqy s TRP 112 N 0.96 3.73 -0.05 -0.53 -0.00 -0.95 -1.56 118.94 120.53 2jqy s TRP 112 Ca -0.11 1.42 0.03 0.00 -0.00 0.00 0.00 56.10 57.45 2jqy s TRP 112 Cb -0.14 -2.63 0.00 0.00 -0.00 0.00 0.00 33.47 30.70 2jqy s TRP 112 CO -0.01 0.41 -0.15 0.21 -0.00 0.00 0.00 176.95 177.42 2jqy s LYS 113 N -1.67 1.76 0.02 5.86 2.36 -0.66 -1.86 119.74 125.55 2jqy s LYS 113 Ca 0.39 -0.53 0.04 0.00 -2.55 0.00 0.00 55.97 53.32 2jqy s LYS 113 Cb -0.18 -1.49 -0.02 0.00 -1.05 0.00 0.00 37.83 35.09 2jqy s LYS 113 CO 0.22 0.15 -0.12 0.42 1.55 0.00 0.00 175.35 177.57 2jqy s ILE 114 N 0.30 0.93 -0.38 5.43 1.01 -1.12 -2.06 121.20 125.30 2jqy s ILE 114 Ca -0.09 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 59.91 2jqy s ILE 114 Cb -0.13 -0.82 0.29 0.00 0.01 0.00 0.00 42.46 41.80 2jqy s ILE 114 CO 0.03 0.07 0.60 0.00 0.00 0.00 0.00 174.94 175.65 2jqy n ALA 115 N 2.28 2.27 -1.20 9.38 0.00 -0.55 -0.55 120.51 132.14 2jqy n ALA 115 Ca -0.16 -3.41 -0.37 0.00 0.00 0.00 0.00 53.44 49.50 2jqy n ALA 115 Cb 0.55 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 2jqy n ALA 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jqy n PRO 116 N 0.96 2.28 -1.96 0.00 -0.04 -1.22 -2.52 135.00 132.49 2jqy n PRO 116 Ca 0.23 -1.97 -0.30 0.00 -0.04 0.00 0.00 63.50 61.42 2jqy n PRO 116 Cb 0.58 -2.86 0.20 0.00 -0.04 0.00 0.00 33.50 31.38 2jqy n PRO 116 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jqy s ASP 117 N 3.77 2.91 -0.20 3.54 1.47 0.29 -4.58 116.67 123.86 2jqy s ASP 117 Ca 0.52 0.15 -0.08 0.00 1.18 0.00 0.00 52.55 54.31 2jqy s ASP 117 Cb 0.14 -0.12 0.08 0.00 -0.34 0.00 0.00 42.92 42.68 2jqy s ASP 117 CO 0.00 -2.85 0.45 -1.66 0.68 0.00 0.00 175.17 171.79 2jqy s TRP 118 N -3.92 -0.78 -0.11 2.11 -2.14 -1.02 -0.40 118.94 112.68 2jqy s TRP 118 Ca 0.76 1.53 -0.21 0.00 2.66 0.00 0.00 56.10 60.84 2jqy s TRP 118 Cb -0.03 0.34 -0.04 0.00 -3.10 0.00 0.00 33.47 30.65 2jqy s TRP 118 CO 0.53 -0.45 0.61 0.34 -2.66 0.00 0.00 176.95 175.33 2jqy s ASP 119 N 2.18 6.83 -0.28 -2.66 -1.08 -0.61 -2.67 116.67 118.37 2jqy s ASP 119 Ca -0.05 0.99 -0.02 0.00 -0.52 0.00 0.00 52.55 52.96 2jqy s ASP 119 Cb -0.10 -2.36 0.12 0.00 -1.46 0.00 0.00 42.92 39.12 2jqy s ASP 119 CO -0.14 -0.11 0.25 0.54 0.52 0.00 0.00 175.17 176.23 2jqy s VAL 120 N 0.96 -0.31 0.10 1.11 0.11 0.14 -0.63 120.40 121.89 2jqy s VAL 120 Ca 0.32 -0.52 0.06 0.00 -2.93 0.00 0.00 61.98 58.91 2jqy s VAL 120 Cb -0.16 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 2jqy s VAL 120 CO 0.14 -0.51 -0.15 -1.59 -3.33 0.00 0.00 175.10 169.66 2jqy s LYS 121 N 2.29 0.97 0.13 1.54 -2.85 -0.84 -1.28 119.74 119.70 2jqy s LYS 121 Ca 0.09 -1.14 0.19 0.00 -1.00 0.00 0.00 55.97 54.11 2jqy s LYS 121 Cb -0.15 -0.94 0.80 0.00 -2.06 0.00 0.00 37.83 35.48 2jqy s LYS 121 CO -0.32 0.19 1.59 1.28 0.10 0.00 0.00 175.35 178.19 2jqy n LEU 122 N 0.83 0.34 -1.61 2.77 4.77 -0.72 -4.38 117.00 118.99 2jqy n LEU 122 Ca -0.18 0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2jqy n LEU 122 Cb 0.56 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2jqy n LEU 122 CO 0.25 -0.41 -0.07 0.41 -1.33 0.00 0.00 177.39 176.24 2jqy n THR 123 N -1.87 -0.88 0.00 -5.08 -1.04 -1.26 -4.85 114.28 99.29 2jqy n THR 123 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2jqy n THR 123 Cb 0.20 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 2jqy n THR 123 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2jqy n ASP 124 N -0.50 0.29 0.00 8.00 9.92 -1.26 -5.05 116.55 127.95 2jqy n ASP 124 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 2jqy n ASP 124 Cb 0.59 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 2jqy n ASP 124 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2jqy n ASP 125 N -2.22 0.00 -4.66 -2.24 -0.08 -1.26 -5.03 116.55 101.05 2jqy n ASP 125 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 2jqy n ASP 125 Cb 0.09 0.08 -0.03 0.00 2.34 0.00 0.00 41.12 43.59 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2jqy s LEU 126 N -2.84 4.14 -0.02 -2.67 1.43 -1.26 -4.20 118.68 113.25 2jqy s LEU 126 Ca 0.00 1.24 0.07 0.00 -1.03 0.00 0.00 54.13 54.40 2jqy s LEU 126 Cb 0.00 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 2jqy s LEU 126 CO 0.00 -0.51 -0.22 -0.13 0.23 0.00 0.00 176.35 175.72 2jqy s ARG 127 N 2.61 1.80 -0.01 1.70 3.00 -1.00 -1.75 118.95 125.29 2jqy s ARG 127 Ca 0.40 -0.78 0.02 0.00 0.00 0.00 0.00 55.73 55.37 2jqy s ARG 127 Cb -0.16 -1.73 -0.00 0.00 0.00 0.00 0.00 34.95 33.06 2jqy s ARG 127 CO 0.10 0.47 -0.07 -0.06 0.00 0.00 0.00 175.30 175.74 2jqy s PHE 128 N -0.50 0.65 -0.20 -0.53 0.40 -0.40 -2.39 117.98 115.01 2jqy s PHE 128 Ca 0.08 -0.13 -0.06 0.00 -0.60 0.00 0.00 56.93 56.21 2jqy s PHE 128 Cb -0.09 -0.45 0.10 0.00 0.51 0.00 0.00 43.02 43.09 2jqy s PHE 128 CO -0.01 -0.04 0.42 0.54 0.70 0.00 0.00 175.22 176.83 2jqy s ASN 129 N 0.01 -0.22 -0.36 1.36 4.22 -1.14 0.29 114.94 119.10 2jqy s ASN 129 Ca 0.00 0.92 -0.15 0.00 -2.14 0.00 0.00 52.86 51.50 2jqy s ASN 129 Cb -0.05 1.34 -0.01 0.00 1.28 0.00 0.00 41.25 43.82 2jqy s ASN 129 CO -0.00 -0.24 0.33 -0.83 -2.04 0.00 0.00 177.10 174.32 2jqy s GLY 130 N 2.61 1.93 -0.22 0.45 0.00 -1.09 -2.59 107.32 108.42 2jqy s GLY 130 Ca -0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 2jqy s GLY 130 CO -0.13 0.94 0.07 -0.98 0.00 0.00 0.00 173.10 172.99 2jqy s TRP 131 N 1.91 3.16 -0.39 1.90 0.52 0.48 -2.42 118.94 124.10 2jqy s TRP 131 Ca 0.09 -0.16 -0.07 0.00 0.02 0.00 0.00 56.10 55.98 2jqy s TRP 131 Cb -0.17 -2.16 0.07 0.00 -1.15 0.00 0.00 33.47 30.06 2jqy s TRP 131 CO 0.11 -0.10 0.19 -1.17 0.02 0.00 0.00 176.95 176.00 2jqy s LEU 132 N 1.00 4.86 -0.31 2.99 0.20 -1.26 0.11 118.68 126.27 2jqy s LEU 132 Ca 0.04 -1.49 -0.26 0.00 0.69 0.00 0.00 54.13 53.11 2jqy s LEU 132 Cb -0.14 -1.91 0.01 0.00 -0.43 0.00 0.00 46.19 43.72 2jqy s LEU 132 CO 0.03 -0.46 0.91 -0.44 -0.29 0.00 0.00 176.35 176.10 2jqy s SER 133 N 1.82 6.78 -0.29 3.68 0.01 0.10 -3.81 113.70 122.00 2jqy s SER 133 Ca 0.02 0.82 -0.14 0.00 1.31 0.00 0.00 55.95 57.96 2jqy s SER 133 Cb -0.22 -2.47 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 2jqy s SER 133 CO 0.01 -0.74 0.33 -0.32 0.41 0.00 0.00 173.24 172.93 2jqy s MET 134 N 3.27 3.91 -0.26 12.44 1.75 0.29 -0.49 119.30 140.20 2jqy s MET 134 Ca 0.38 -0.13 -0.08 0.00 -1.25 0.00 0.00 55.69 54.60 2jqy s MET 134 Cb -0.13 -3.69 -0.03 0.00 2.84 0.00 0.00 34.83 33.81 2jqy s MET 134 CO 0.14 -0.31 0.11 -0.47 -0.65 0.00 0.00 175.02 173.84 2jqy s TYR 135 N 2.00 3.13 0.05 4.11 5.04 -0.00 -2.81 117.35 128.87 2jqy s TYR 135 Ca 0.13 -0.26 0.08 0.00 -2.44 0.00 0.00 57.07 54.57 2jqy s TYR 135 Cb -0.16 -2.28 -0.03 0.00 0.35 0.00 0.00 41.96 39.84 2jqy s TYR 135 CO 0.11 -0.30 -0.22 0.21 -1.34 0.00 0.00 175.55 174.01 2jqy s LYS 136 N 1.66 1.41 0.11 4.97 2.20 -0.78 -2.03 119.74 127.28 2jqy s LYS 136 Ca 0.07 -1.00 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 2jqy s LYS 136 Cb -0.15 -1.56 -0.04 0.00 -1.51 0.00 0.00 37.83 34.56 2jqy s LYS 136 CO 0.06 0.40 0.12 0.12 -0.36 0.00 0.00 175.35 175.68 2jqy s PHE 137 N -0.85 3.22 -0.10 4.03 2.19 -1.26 -2.24 117.98 122.96 2jqy s PHE 137 Ca 0.08 0.06 -0.30 0.00 0.33 0.00 0.00 56.93 57.10 2jqy s PHE 137 Cb -0.09 -1.60 0.10 0.00 -1.31 0.00 0.00 43.02 40.12 2jqy s PHE 137 CO 0.02 0.53 0.85 0.00 1.83 0.00 0.00 175.22 178.45 2jqy s ALA 138 N -1.53 -1.86 0.22 11.12 0.00 0.20 -4.66 121.76 125.25 2jqy s ALA 138 Ca 0.30 1.44 -0.09 0.00 0.00 0.00 0.00 51.96 53.62 2jqy s ALA 138 Cb -0.12 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.68 2jqy s ALA 138 CO 0.23 -0.35 0.47 -1.71 0.00 0.00 0.00 175.76 174.41 2jqy n ASN 139 N 0.77 -1.31 -4.59 0.00 5.15 -1.26 -1.09 115.26 112.93 2jqy n ASN 139 Ca -0.14 -1.89 -0.41 0.00 -0.60 0.00 0.00 54.58 51.53 2jqy n ASN 139 Cb 0.58 2.18 -0.03 0.00 -0.53 0.00 0.00 39.78 41.98 2jqy n ASN 139 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jqy s ASP 140 N -2.23 5.39 0.00 1.20 -1.08 -1.26 -4.15 116.67 114.54 2jqy s ASP 140 Ca 0.10 1.46 0.00 0.00 -0.52 0.00 0.00 52.55 53.58 2jqy s ASP 140 Cb -0.03 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2jqy s ASP 140 CO 0.07 -2.08 0.00 -0.11 0.52 0.00 0.00 175.17 173.57 2jqy n LEU 141 N 12.09 0.00 -2.67 -1.34 0.00 -1.26 -3.85 117.00 119.97 2jqy n LEU 141 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.28 2jqy n LEU 141 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.92 2jqy n LEU 141 CO 0.68 0.00 0.53 0.21 0.00 0.00 0.00 177.39 178.81 2jqy s ASN 142 N 0.00 -0.11 -0.19 1.96 3.84 -1.26 -5.02 114.94 114.16 2jqy s ASN 142 Ca 0.00 -0.10 -0.08 0.00 0.21 0.00 0.00 52.86 52.89 2jqy s ASN 142 Cb 0.00 0.15 -0.21 0.00 -0.55 0.00 0.00 41.25 40.64 2jqy s ASN 142 CO 0.00 -0.01 0.09 0.41 -2.79 0.00 0.00 177.10 174.80 2jqy n THR 143 N 3.00 1.63 -0.03 -5.21 -1.04 -1.25 -4.53 114.28 106.86 2jqy n THR 143 Ca 0.08 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.05 61.48 2jqy n THR 143 Cb 0.65 -1.73 -0.14 0.00 -1.82 0.00 0.00 70.33 67.29 2jqy n THR 143 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2jqy n THR 144 N -3.70 1.63 0.00 12.58 5.66 -1.26 -5.00 114.28 124.19 2jqy n THR 144 Ca -0.39 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 59.86 2jqy n THR 144 Cb 0.94 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 2jqy n THR 144 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jqy n GLY 145 N 1.72 1.21 2.89 1.09 0.00 -1.26 -4.42 105.19 106.42 2jqy n GLY 145 Ca -0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 2jqy n GLY 145 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jqy n TYR 146 N -1.62 -1.65 -3.36 1.61 4.01 -1.26 -4.97 117.16 109.91 2jqy n TYR 146 Ca 0.00 0.32 -0.16 0.00 -0.16 0.00 0.00 57.90 57.89 2jqy n TYR 146 Cb 0.00 -3.67 0.03 0.00 -0.31 0.00 0.00 39.34 35.39 2jqy n TYR 146 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jqy n ALA 147 N -3.02 0.78 -2.57 -0.72 0.00 -1.26 -4.65 120.51 109.06 2jqy n ALA 147 Ca -0.12 -1.56 -0.18 0.00 0.00 0.00 0.00 53.44 51.58 2jqy n ALA 147 Cb 0.61 0.52 0.01 0.00 0.00 0.00 0.00 19.45 20.59 2jqy n ALA 147 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jqy n ASP 148 N -2.24 -5.25 -4.40 0.00 9.92 -1.26 -4.26 116.55 109.07 2jqy n ASP 148 Ca 0.06 -0.11 -0.41 0.00 -0.53 0.00 0.00 54.79 53.80 2jqy n ASP 148 Cb 0.44 -4.23 -0.11 0.00 -0.64 0.00 0.00 41.12 36.59 2jqy n ASP 148 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2jqy s THR 149 N -2.96 4.80 0.24 -3.53 -4.23 -1.26 -4.62 115.64 104.07 2jqy s THR 149 Ca 0.11 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.71 2jqy s THR 149 Cb -0.05 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.07 2jqy s THR 149 CO 0.13 -0.29 0.34 -0.60 -0.54 0.00 0.00 174.62 173.66 2jqy s ARG 150 N 1.59 1.45 0.11 3.99 6.06 -0.86 -4.80 118.95 126.48 2jqy s ARG 150 Ca 0.03 -1.46 0.10 0.00 -2.50 0.00 0.00 55.73 51.89 2jqy s ARG 150 Cb -0.20 0.39 -0.04 0.00 0.06 0.00 0.00 34.95 35.16 2jqy s ARG 150 CO 0.07 -0.56 -0.23 0.14 -2.50 0.00 0.00 175.30 172.22 2jqy s VAL 151 N -3.97 2.47 -0.02 7.11 -7.23 -1.26 -0.82 120.40 116.68 2jqy s VAL 151 Ca 0.30 -1.59 0.06 0.00 -1.81 0.00 0.00 61.98 58.93 2jqy s VAL 151 Cb 0.02 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 2jqy s VAL 151 CO 0.12 0.14 -0.19 -1.83 -0.31 0.00 0.00 175.10 173.03 2jqy s GLU 152 N -1.95 1.67 0.09 4.82 -1.05 0.36 -4.11 118.70 118.54 2jqy s GLU 152 Ca 0.15 -0.68 -0.10 0.00 -0.15 0.00 0.00 54.97 54.19 2jqy s GLU 152 Cb -0.10 -1.56 -0.06 0.00 -0.44 0.00 0.00 34.13 31.97 2jqy s GLU 152 CO 0.07 0.37 0.41 0.99 0.95 0.00 0.00 175.26 178.05 2jqy s THR 153 N -0.32 5.08 -0.31 1.83 2.01 -1.04 0.02 115.64 122.91 2jqy s THR 153 Ca 0.04 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.48 2jqy s THR 153 Cb -0.09 -3.65 0.10 0.00 0.01 0.00 0.00 72.50 68.88 2jqy s THR 153 CO 0.00 0.27 0.13 -1.61 -0.69 0.00 0.00 174.62 172.72 2jqy s GLU 154 N -1.95 0.43 -0.46 4.92 2.02 0.30 -2.07 118.70 121.89 2jqy s GLU 154 Ca 0.34 -0.82 -0.18 0.00 0.02 0.00 0.00 54.97 54.33 2jqy s GLU 154 Cb -0.14 -1.49 0.04 0.00 0.10 0.00 0.00 34.13 32.64 2jqy s GLU 154 CO 0.18 -1.03 0.51 0.95 0.02 0.00 0.00 175.26 175.90 2jqy s THR 155 N 1.81 5.01 -0.04 3.63 -4.23 -1.13 -0.38 115.64 120.31 2jqy s THR 155 Ca 0.10 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 2jqy s THR 155 Cb -0.17 -4.15 -0.03 0.00 1.34 0.00 0.00 72.50 69.49 2jqy s THR 155 CO -0.29 -0.58 -0.06 -0.83 -0.54 0.00 0.00 174.62 172.32 2jqy s GLY 156 N 2.20 1.74 -0.08 3.99 0.00 -1.07 -1.17 107.32 112.93 2jqy s GLY 156 Ca 0.13 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2jqy s GLY 156 CO 0.13 -0.76 -0.19 1.08 0.00 0.00 0.00 173.10 173.36 2jqy s LEU 157 N -1.10 1.91 -0.25 0.66 1.02 -1.07 -2.88 118.68 116.98 2jqy s LEU 157 Ca 0.15 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.85 2jqy s LEU 157 Cb -0.11 -1.16 0.04 0.00 0.02 0.00 0.00 46.19 44.98 2jqy s LEU 157 CO 0.04 0.12 -0.09 -1.10 0.02 0.00 0.00 176.35 175.34 2jqy s GLN 158 N 0.42 2.58 -0.14 1.70 -0.21 -1.00 -2.62 119.66 120.39 2jqy s GLN 158 Ca -0.16 -1.14 -0.01 0.00 0.02 0.00 0.00 55.36 54.08 2jqy s GLN 158 Cb -0.17 -2.92 0.04 0.00 1.00 0.00 0.00 33.01 30.96 2jqy s GLN 158 CO 0.06 -0.47 -0.05 -0.47 -2.12 0.00 0.00 175.29 172.25 2jqy s TYR 159 N 1.23 1.50 0.10 0.91 5.04 -1.16 -2.39 117.35 122.58 2jqy s TYR 159 Ca -0.03 -0.88 -0.25 0.00 -2.44 0.00 0.00 57.07 53.47 2jqy s TYR 159 Cb -0.18 -1.22 -0.07 0.00 0.35 0.00 0.00 41.96 40.84 2jqy s TYR 159 CO -0.05 -0.56 0.76 0.95 -1.34 0.00 0.00 175.55 175.31 2jqy s THR 160 N 1.70 4.57 0.22 4.34 -4.23 -1.26 -2.08 115.64 118.91 2jqy s THR 160 Ca 0.02 1.64 -0.05 0.00 -1.18 0.00 0.00 61.69 62.12 2jqy s THR 160 Cb -0.14 -4.11 0.11 0.00 1.34 0.00 0.00 72.50 69.69 2jqy s THR 160 CO -0.08 0.44 1.72 -0.26 -0.54 0.00 0.00 174.62 175.91 2jqy h PHE 161 N 5.02 1.03 -0.28 3.99 -1.00 -1.61 -3.36 116.94 120.73 2jqy h PHE 161 Ca -0.46 -0.14 -0.22 0.00 2.81 0.00 0.00 57.97 59.96 2jqy h PHE 161 Cb 1.21 -0.28 -0.28 0.00 3.61 0.00 0.00 35.95 40.21 2jqy h PHE 161 CO 0.65 0.89 -0.72 0.09 -1.61 0.00 0.00 178.31 177.62 2jqy n ASN 162 N -4.21 -0.00 -2.91 2.17 4.13 -1.26 -5.03 115.26 108.14 2jqy n ASN 162 Ca 0.04 -2.23 -0.01 0.00 1.68 0.00 0.00 54.58 54.06 2jqy n ASN 162 Cb 0.29 0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 2jqy n ASN 162 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jqy n GLU 163 N -0.91 -1.29 0.00 3.52 1.02 -1.26 -4.86 120.64 116.87 2jqy n GLU 163 Ca -0.03 1.46 0.00 0.00 -0.02 0.00 0.00 57.16 58.57 2jqy n GLU 163 Cb 0.84 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 2jqy n GLU 163 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2jqy n THR 164 N -1.59 0.00 -3.61 2.62 5.66 -1.26 -5.10 114.28 111.00 2jqy n THR 164 Ca 0.01 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.61 2jqy n THR 164 Cb 0.49 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.16 2jqy n THR 164 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2jqy s VAL 165 N 0.00 4.65 0.13 1.08 -7.23 -1.26 -4.71 120.40 113.06 2jqy s VAL 165 Ca 0.00 -0.63 0.10 0.00 -1.81 0.00 0.00 61.98 59.64 2jqy s VAL 165 Cb 0.00 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 2jqy s VAL 165 CO 0.00 -0.10 -0.22 0.00 -0.31 0.00 0.00 175.10 174.47 2jqy s ALA 166 N 1.59 2.56 -0.02 1.32 0.00 -1.23 -1.37 121.76 124.60 2jqy s ALA 166 Ca 0.03 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.44 2jqy s ALA 166 Cb -0.18 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 2jqy s ALA 166 CO 0.07 0.55 0.35 -0.48 0.00 0.00 0.00 175.76 176.25 2jqy s LEU 167 N -2.18 4.46 -0.25 0.00 0.05 -0.88 -2.91 118.68 116.97 2jqy s LEU 167 Ca 0.17 0.85 -0.02 0.00 0.05 0.00 0.00 54.13 55.18 2jqy s LEU 167 Cb -0.10 -2.48 0.03 0.00 -2.05 0.00 0.00 46.19 41.59 2jqy s LEU 167 CO 0.09 0.34 -0.05 -0.13 -0.55 0.00 0.00 176.35 176.05 2jqy s ARG 168 N -1.08 2.80 -0.36 1.48 0.52 -1.13 -2.96 118.95 118.21 2jqy s ARG 168 Ca 0.22 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 2jqy s ARG 168 Cb -0.16 -3.01 0.10 0.00 0.52 0.00 0.00 34.95 32.40 2jqy s ARG 168 CO 0.11 -0.42 0.10 0.54 0.02 0.00 0.00 175.30 175.65 2jqy s VAL 169 N 1.32 2.72 -0.15 3.52 0.11 -1.08 -0.68 120.40 126.17 2jqy s VAL 169 Ca -0.00 -2.15 -0.10 0.00 -2.93 0.00 0.00 61.98 56.79 2jqy s VAL 169 Cb -0.17 -2.91 -0.05 0.00 -1.53 0.00 0.00 36.38 31.73 2jqy s VAL 169 CO -0.04 -0.59 0.19 0.21 -3.33 0.00 0.00 175.10 171.54 2jqy s ASN 170 N 1.30 6.36 -0.36 3.54 2.47 -0.96 -2.58 114.94 124.71 2jqy s ASN 170 Ca 0.08 0.42 -0.11 0.00 0.42 0.00 0.00 52.86 53.67 2jqy s ASN 170 Cb -0.21 -2.12 0.01 0.00 -1.45 0.00 0.00 41.25 37.49 2jqy s ASN 170 CO -0.06 0.25 0.21 -0.47 -3.72 0.00 0.00 177.10 173.31 2jqy s TYR 171 N -0.17 3.22 0.10 0.43 5.04 -0.31 -1.63 117.35 124.03 2jqy s TYR 171 Ca 0.13 -0.71 -0.23 0.00 -2.44 0.00 0.00 57.07 53.82 2jqy s TYR 171 Cb -0.12 -2.44 -0.07 0.00 0.35 0.00 0.00 41.96 39.68 2jqy s TYR 171 CO 0.02 -0.55 0.71 0.71 -1.34 0.00 0.00 175.55 175.10 2jqy s TYR 172 N 1.61 3.82 -0.32 4.97 1.51 -0.42 -2.84 117.35 125.68 2jqy s TYR 172 Ca 0.04 1.47 -0.01 0.00 -1.01 0.00 0.00 57.07 57.56 2jqy s TYR 172 Cb -0.18 -2.71 0.13 0.00 -0.11 0.00 0.00 41.96 39.08 2jqy s TYR 172 CO 0.08 0.45 0.21 -1.17 -1.11 0.00 0.00 175.55 174.00 2jqy s LEU 173 N -0.74 0.55 0.14 -1.29 0.20 -0.88 -2.14 118.68 114.51 2jqy s LEU 173 Ca 0.35 -1.62 -0.14 0.00 0.69 0.00 0.00 54.13 53.41 2jqy s LEU 173 Cb -0.21 -0.16 -0.07 0.00 -0.43 0.00 0.00 46.19 45.32 2jqy s LEU 173 CO 0.23 -0.36 0.54 -1.61 -0.29 0.00 0.00 176.35 174.86 2jqy s GLU 174 N 1.65 3.98 0.09 1.98 0.41 -0.73 -2.50 118.70 123.58 2jqy s GLU 174 Ca 0.14 0.49 0.03 0.00 -0.41 0.00 0.00 54.97 55.21 2jqy s GLU 174 Cb -0.18 -2.95 -0.04 0.00 -1.78 0.00 0.00 34.13 29.18 2jqy s GLU 174 CO -0.18 0.49 -0.08 1.03 -0.49 0.00 0.00 175.26 176.04 2jqy s ARG 175 N -1.91 0.80 -0.01 1.61 0.52 -1.26 -2.48 118.95 116.22 2jqy s ARG 175 Ca 0.37 -1.20 -0.08 0.00 -0.52 0.00 0.00 55.73 54.30 2jqy s ARG 175 Cb -0.15 -0.34 0.01 0.00 0.52 0.00 0.00 34.95 34.98 2jqy s ARG 175 CO 0.19 0.03 0.16 0.20 0.02 0.00 0.00 175.30 175.90 2jqy s GLY 176 N -2.64 -0.00 -0.09 -3.53 0.00 -1.26 -4.67 107.32 95.12 2jqy s GLY 176 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 2jqy s GLY 176 CO -0.02 -0.14 -0.01 -0.12 0.00 0.00 0.00 173.10 172.81 2jqy s PHE 177 N -1.20 0.89 -0.16 1.90 5.36 -1.26 -4.61 117.98 118.90 2jqy s PHE 177 Ca -0.13 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 2jqy s PHE 177 Cb -0.07 -0.92 0.03 0.00 -0.34 0.00 0.00 43.02 41.72 2jqy s PHE 177 CO 0.02 -0.40 -0.11 1.21 -1.46 0.00 0.00 175.22 174.48 2jqy s ASN 178 N 1.90 2.91 0.24 6.13 2.47 -1.26 -4.51 114.94 122.82 2jqy s ASN 178 Ca 0.04 -0.63 -0.24 0.00 0.42 0.00 0.00 52.86 52.46 2jqy s ASN 178 Cb -0.13 -1.14 -0.09 0.00 -1.45 0.00 0.00 41.25 38.45 2jqy s ASN 178 CO -0.06 -0.11 0.82 -0.04 -3.72 0.00 0.00 177.10 173.99 2jqy s MET 179 N 1.49 4.47 -1.67 0.43 -1.94 -1.26 -3.72 119.30 117.10 2jqy s MET 179 Ca 0.02 1.12 -0.01 0.00 -1.71 0.00 0.00 55.69 55.11 2jqy s MET 179 Cb -0.14 -2.97 0.00 0.00 2.01 0.00 0.00 34.83 33.73 2jqy s MET 179 CO -0.09 0.41 0.16 -0.25 -0.01 0.00 0.00 175.02 175.24 2jqy n ASP 180 N 0.93 -5.85 -4.55 3.03 9.92 -1.26 -4.97 116.55 113.80 2jqy n ASP 180 Ca -0.02 -0.09 -0.29 0.00 -0.53 0.00 0.00 54.79 53.86 2jqy n ASP 180 Cb 0.50 -4.81 0.19 0.00 -0.64 0.00 0.00 41.12 36.36 2jqy n ASP 180 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jqy s ASP 181 N -2.26 2.18 -0.54 -2.24 2.15 -1.24 -4.94 116.67 109.77 2jqy s ASP 181 Ca 0.08 1.10 0.01 0.00 0.43 0.00 0.00 52.55 54.18 2jqy s ASP 181 Cb -0.04 -1.72 0.55 0.00 -0.30 0.00 0.00 42.92 41.41 2jqy s ASP 181 CO 0.10 -3.40 1.96 -1.54 -0.17 0.00 0.00 175.17 172.12 2jqy n SER 182 N -4.34 5.55 -2.37 -0.34 3.41 -1.26 -4.85 113.62 109.42 2jqy n SER 182 Ca 0.06 -3.65 -0.21 0.00 -0.26 0.00 0.00 58.87 54.81 2jqy n SER 182 Cb 0.58 -0.90 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 2jqy n SER 182 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jqy n ARG 183 N -0.99 -1.79 -0.13 4.33 1.74 -1.26 -4.88 116.66 113.67 2jqy n ARG 183 Ca 0.60 0.99 -0.29 0.00 -0.77 0.00 0.00 57.85 58.38 2jqy n ARG 183 Cb 1.19 -5.64 -0.10 0.00 -1.02 0.00 0.00 32.46 26.88 2jqy n ARG 183 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jqy n ASN 184 N -1.95 1.94 -4.77 0.55 5.03 -1.26 -5.03 115.26 109.78 2jqy n ASN 184 Ca -0.24 0.35 -0.28 0.00 0.87 0.00 0.00 54.58 55.29 2jqy n ASN 184 Cb 0.68 -0.84 -0.06 0.00 -1.02 0.00 0.00 39.78 38.54 2jqy n ASN 184 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2jqy s ASN 185 N -7.40 4.33 0.00 6.41 2.47 -1.26 -4.76 114.94 114.73 2jqy s ASN 185 Ca -0.37 -1.31 0.00 0.00 0.42 0.00 0.00 52.86 51.60 2jqy s ASN 185 Cb 0.14 0.01 0.00 0.00 -1.45 0.00 0.00 41.25 39.94 2jqy s ASN 185 CO 0.51 -0.75 0.00 0.61 -3.72 0.00 0.00 177.10 173.75 2jqy n GLY 186 N -1.34 2.61 1.82 1.21 0.00 -1.26 -4.87 105.19 103.36 2jqy n GLY 186 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 2jqy n GLY 186 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jqy n GLU 187 N -0.17 2.18 -3.72 1.61 0.28 -1.26 -4.92 120.64 114.65 2jqy n GLU 187 Ca 0.00 -3.16 -0.12 0.00 -0.16 0.00 0.00 57.16 53.72 2jqy n GLU 187 Cb 0.00 -2.06 -0.12 0.00 1.43 0.00 0.00 31.44 30.69 2jqy n GLU 187 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2jqy s PHE 188 N -3.35 -0.42 0.02 -1.84 0.40 -1.26 -5.16 117.98 106.37 2jqy s PHE 188 Ca 0.53 0.95 0.02 0.00 -0.60 0.00 0.00 56.93 57.83 2jqy s PHE 188 Cb 0.45 0.12 -0.04 0.00 0.51 0.00 0.00 43.02 44.06 2jqy s PHE 188 CO 0.05 -0.27 -0.01 -1.12 0.70 0.00 0.00 175.22 174.57 2jqy s SER 189 N 1.34 5.03 -0.30 1.36 0.01 -1.26 -4.80 113.70 115.07 2jqy s SER 189 Ca -0.09 -0.06 -0.15 0.00 1.31 0.00 0.00 55.95 56.96 2jqy s SER 189 Cb -0.10 -1.27 -0.03 0.00 0.21 0.00 0.00 66.02 64.83 2jqy s SER 189 CO -0.10 0.26 0.35 -0.89 0.41 0.00 0.00 173.24 173.27 2jqy s THR 190 N -1.11 5.18 -0.24 1.44 2.01 -1.04 -5.02 115.64 116.86 2jqy s THR 190 Ca 0.20 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.55 2jqy s THR 190 Cb -0.11 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.72 2jqy s THR 190 CO 0.11 0.07 -0.10 0.00 -0.69 0.00 0.00 174.62 174.02 2jqy s GLN 191 N 2.02 2.07 0.09 4.92 -2.07 -1.26 -1.77 119.66 123.66 2jqy s GLN 191 Ca 0.13 -1.18 0.10 0.00 -1.82 0.00 0.00 55.36 52.59 2jqy s GLN 191 Cb -0.16 -2.75 -0.04 0.00 -1.09 0.00 0.00 33.01 28.98 2jqy s GLN 191 CO 0.11 -0.55 -0.26 -1.21 -1.32 0.00 0.00 175.29 172.05 2jqy s GLU 192 N 1.22 1.59 -0.22 9.60 0.41 -0.91 -5.02 118.70 125.37 2jqy s GLU 192 Ca -0.07 -1.24 -0.03 0.00 -0.41 0.00 0.00 54.97 53.22 2jqy s GLU 192 Cb -0.19 -1.94 -0.01 0.00 -1.78 0.00 0.00 34.13 30.21 2jqy s GLU 192 CO -0.06 0.48 -0.05 -1.50 -0.49 0.00 0.00 175.26 173.63 2jqy s ILE 193 N -0.96 3.28 -0.15 -1.63 1.10 -1.26 -1.30 121.20 120.28 2jqy s ILE 193 Ca 0.13 -0.52 -0.05 0.00 -0.51 0.00 0.00 60.65 59.70 2jqy s ILE 193 Cb -0.10 -2.48 -0.03 0.00 0.15 0.00 0.00 42.46 39.99 2jqy s ILE 193 CO 0.04 0.43 0.01 -0.13 -2.11 0.00 0.00 174.94 173.19 2jqy s ARG 194 N 1.46 3.67 0.07 3.50 1.81 -0.65 -4.82 118.95 124.00 2jqy s ARG 194 Ca 0.06 -0.42 0.05 0.00 -1.72 0.00 0.00 55.73 53.70 2jqy s ARG 194 Cb -0.14 -3.02 -0.04 0.00 -0.45 0.00 0.00 34.95 31.30 2jqy s ARG 194 CO -0.04 0.35 -0.04 0.00 -0.68 0.00 0.00 175.30 174.89 2jqy s ALA 195 N 0.10 3.15 0.32 2.13 0.00 -0.89 -2.28 121.76 124.29 2jqy s ALA 195 Ca 0.02 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 2jqy s ALA 195 Cb -0.13 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.90 2jqy s ALA 195 CO 0.02 0.67 0.58 0.71 0.00 0.00 0.00 175.76 177.73 2jqy s TYR 196 N -1.21 0.49 -0.37 0.00 2.02 0.15 -3.01 117.35 115.41 2jqy s TYR 196 Ca 0.23 -0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 56.03 2jqy s TYR 196 Cb -0.11 0.31 0.26 0.00 -0.40 0.00 0.00 41.96 42.02 2jqy s TYR 196 CO 0.15 -1.21 1.12 -0.11 -1.57 0.00 0.00 175.55 173.93 2jqy n LEU 197 N -0.49 -1.77 -4.62 -1.29 7.94 -1.25 -2.83 117.00 112.69 2jqy n LEU 197 Ca -0.03 -2.10 -0.43 0.00 -1.11 0.00 0.00 56.01 52.35 2jqy n LEU 197 Cb 0.61 0.63 -0.03 0.00 0.53 0.00 0.00 43.42 45.16 2jqy n LEU 197 CO 0.25 1.65 1.74 -2.16 -1.11 0.00 0.00 177.39 177.76 2jqy s PRO 198 N 0.36 3.51 0.13 1.96 0.04 -1.15 -4.18 135.00 135.67 2jqy s PRO 198 Ca 0.27 2.20 0.08 0.00 0.04 0.00 0.00 61.00 63.60 2jqy s PRO 198 Cb 0.20 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 2jqy s PRO 198 CO -0.12 -1.68 -0.12 -0.51 0.04 0.00 0.00 177.00 174.61 2jqy s LEU 199 N 6.84 2.93 0.06 -3.56 1.43 0.28 -3.58 118.68 123.09 2jqy s LEU 199 Ca 0.95 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2jqy s LEU 199 Cb -0.36 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2jqy s LEU 199 CO 0.37 0.15 -0.05 0.42 0.23 0.00 0.00 176.35 177.48 2jqy s THR 200 N -1.34 0.41 -0.36 5.49 -4.23 -1.26 0.26 115.64 114.61 2jqy s THR 200 Ca 0.21 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2jqy s THR 200 Cb -0.10 -1.34 0.14 0.00 1.34 0.00 0.00 72.50 72.54 2jqy s THR 200 CO 0.13 -0.84 0.27 -0.22 -0.54 0.00 0.00 174.62 173.43 2jqy s LEU 201 N -2.66 0.53 0.00 4.79 2.96 -1.05 -4.93 118.68 118.32 2jqy s LEU 201 Ca 0.04 -1.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.06 2jqy s LEU 201 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 46.19 46.72 2jqy s LEU 201 CO -0.06 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.28 2jqy n GLY 202 N 4.19 0.79 1.61 7.98 0.00 -1.26 -2.56 105.19 115.93 2jqy n GLY 202 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2jqy n GLY 202 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jqy n ASN 203 N 1.94 0.18 -4.35 1.61 6.94 -1.26 -5.11 115.26 115.20 2jqy n ASN 203 Ca 0.00 -2.02 -0.23 0.00 -0.02 0.00 0.00 54.58 52.31 2jqy n ASN 203 Cb 0.00 -0.03 -0.11 0.00 -2.36 0.00 0.00 39.78 37.28 2jqy n ASN 203 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2jqy s HIS 204 N -0.46 1.93 -0.08 -2.53 3.76 -1.06 -4.47 115.29 112.38 2jqy s HIS 204 Ca 0.20 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 2jqy s HIS 204 Cb 0.26 -0.96 0.01 0.00 1.11 0.00 0.00 32.58 33.00 2jqy s HIS 204 CO -0.09 0.37 -0.12 -1.12 -0.85 0.00 0.00 174.74 172.92 2jqy s SER 205 N -2.67 1.95 -0.17 1.40 0.01 -1.04 -2.51 113.70 110.67 2jqy s SER 205 Ca 0.17 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.06 2jqy s SER 205 Cb -0.06 -0.88 0.08 0.00 0.21 0.00 0.00 66.02 65.36 2jqy s SER 205 CO 0.07 0.02 0.18 -0.69 0.41 0.00 0.00 173.24 173.23 2jqy s VAL 206 N 0.81 -0.25 -0.28 3.43 1.01 0.14 -0.92 120.40 124.34 2jqy s VAL 206 Ca -0.11 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2jqy s VAL 206 Cb -0.15 -0.57 0.08 0.00 0.00 0.00 0.00 36.38 35.73 2jqy s VAL 206 CO 0.02 -0.15 0.01 0.28 0.00 0.00 0.00 175.10 175.26 2jqy s THR 207 N 2.27 1.56 0.75 3.92 -1.32 -1.10 0.10 115.64 121.83 2jqy s THR 207 Ca 0.05 -1.55 -0.12 0.00 -1.21 0.00 0.00 61.69 58.86 2jqy s THR 207 Cb -0.15 -1.99 0.04 0.00 -1.51 0.00 0.00 72.50 68.88 2jqy s THR 207 CO -0.10 -0.37 1.10 -2.16 -2.21 0.00 0.00 174.62 170.89 2jqy s PRO 208 N 1.32 2.52 -0.05 7.08 0.04 -1.26 -2.85 135.00 141.80 2jqy s PRO 208 Ca 0.02 0.49 0.06 0.00 0.04 0.00 0.00 61.00 61.62 2jqy s PRO 208 Cb -0.18 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 2jqy s PRO 208 CO -0.11 -1.28 -0.25 0.71 0.04 0.00 0.00 177.00 176.11 2jqy s TYR 209 N -3.31 2.37 0.02 0.56 1.51 -0.71 -3.91 117.35 113.88 2jqy s TYR 209 Ca 0.59 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 2jqy s TYR 209 Cb -0.12 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 2jqy s TYR 209 CO 0.52 -0.18 -0.06 0.99 -1.11 0.00 0.00 175.55 175.71 2jqy s THR 210 N -0.24 0.45 0.00 -0.71 2.01 -1.16 -1.73 115.64 114.26 2jqy s THR 210 Ca -0.01 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2jqy s THR 210 Cb -0.13 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.90 2jqy s THR 210 CO 0.03 -0.23 0.00 -2.11 -0.69 0.00 0.00 174.62 171.62 2jqy n ARG 211 N 1.99 0.35 -4.06 4.92 1.85 -1.26 -2.09 116.66 118.35 2jqy n ARG 211 Ca -0.19 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.32 2jqy n ARG 211 Cb 0.56 -0.98 -0.15 0.00 -1.05 0.00 0.00 32.46 30.84 2jqy n ARG 211 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2jqy s ILE 212 N -1.96 2.70 0.00 8.89 -1.09 -1.26 -4.90 121.20 123.58 2jqy s ILE 212 Ca 0.00 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 2jqy s ILE 212 Cb 0.00 -2.19 0.00 0.00 -1.58 0.00 0.00 42.46 38.69 2jqy s ILE 212 CO 0.00 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 2jqy n GLY 213 N 4.65 -1.86 3.08 6.18 0.00 -1.26 -4.98 105.19 111.00 2jqy n GLY 213 Ca -0.20 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 2jqy n GLY 213 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqy s LEU 214 N 0.00 4.73 0.40 0.99 2.96 -1.26 -5.10 118.68 121.41 2jqy s LEU 214 Ca 0.00 -1.95 0.08 0.00 -0.22 0.00 0.00 54.13 52.04 2jqy s LEU 214 Cb 0.00 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 2jqy s LEU 214 CO 0.00 -0.41 0.43 -0.62 -1.32 0.00 0.00 176.35 174.43 2jqy s ASP 215 N 1.29 5.32 -0.23 3.68 2.15 -1.26 -5.05 116.67 122.58 2jqy s ASP 215 Ca 0.06 -0.58 0.10 0.00 0.43 0.00 0.00 52.55 52.57 2jqy s ASP 215 Cb -0.21 -0.69 0.43 0.00 -0.30 0.00 0.00 42.92 42.16 2jqy s ASP 215 CO -0.06 -0.64 1.21 -1.14 -0.17 0.00 0.00 175.17 174.38 2jqy n ARG 216 N -1.63 2.18 -2.57 4.34 0.63 -1.26 -4.93 116.66 113.42 2jqy n ARG 216 Ca 0.04 -3.54 -0.21 0.00 -0.92 0.00 0.00 57.85 53.21 2jqy n ARG 216 Cb 0.60 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.74 2jqy n ARG 216 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2jqy n TRP 217 N -0.94 -1.27 -0.08 -0.14 8.01 -1.26 -4.86 117.44 116.90 2jqy n TRP 217 Ca 0.26 0.15 -0.09 0.00 -1.31 0.00 0.00 57.50 56.51 2jqy n TRP 217 Cb 0.79 -4.14 -0.12 0.00 -2.01 0.00 0.00 31.31 25.84 2jqy n TRP 217 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2jqy n SER 218 N -2.15 1.34 -0.06 -0.99 2.88 -1.26 -4.68 113.62 108.71 2jqy n SER 218 Ca -0.21 -0.02 -0.06 0.00 -1.33 0.00 0.00 58.87 57.25 2jqy n SER 218 Cb 0.67 0.71 -0.08 0.00 -0.75 0.00 0.00 64.21 64.75 2jqy n SER 218 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jqy n ASN 219 N -2.65 2.35 -4.15 -3.46 2.85 -1.26 -4.93 115.26 104.01 2jqy n ASN 219 Ca -0.27 -0.01 -0.34 0.00 -0.11 0.00 0.00 54.58 53.85 2jqy n ASN 219 Cb 0.99 0.63 -0.15 0.00 1.24 0.00 0.00 39.78 42.49 2jqy n ASN 219 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 2jqy s TRP 220 N -2.27 3.09 0.08 1.20 -0.00 -1.26 -5.10 118.94 114.67 2jqy s TRP 220 Ca -0.07 -1.82 0.03 0.00 -0.00 0.00 0.00 56.10 54.24 2jqy s TRP 220 Cb 0.04 -2.00 -0.03 0.00 -0.00 0.00 0.00 33.47 31.47 2jqy s TRP 220 CO 0.44 -0.79 -0.08 -0.51 -0.00 0.00 0.00 176.95 176.00 2jqy s ASP 221 N 1.25 1.17 0.00 5.86 1.11 -1.26 -4.37 116.67 120.43 2jqy s ASP 221 Ca -0.02 -0.79 0.00 0.00 0.18 0.00 0.00 52.55 51.92 2jqy s ASP 221 Cb -0.17 0.04 0.00 0.00 1.07 0.00 0.00 42.92 43.86 2jqy s ASP 221 CO -0.06 -0.31 0.00 1.87 1.18 0.00 0.00 175.17 177.85 2jqy n TRP 222 N 0.65 -0.08 -2.03 4.23 -0.00 -1.26 -5.15 117.44 113.81 2jqy n TRP 222 Ca -0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.04 2jqy n TRP 222 Cb 0.58 0.02 0.03 0.00 -0.00 0.00 0.00 31.31 31.93 2jqy n TRP 222 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2jqy s GLN 223 N -1.17 3.13 0.00 5.87 2.00 -1.26 -5.01 119.66 123.22 2jqy s GLN 223 Ca 0.00 0.44 0.00 0.00 -2.00 0.00 0.00 55.36 53.80 2jqy s GLN 223 Cb 0.00 -2.11 0.00 0.00 0.80 0.00 0.00 33.01 31.70 2jqy s GLN 223 CO 0.00 -0.78 0.00 -0.40 -0.50 0.00 0.00 175.29 173.61 2jqy n ASP 224 N -2.80 0.10 -2.49 6.67 5.75 -1.26 -5.12 116.55 117.40 2jqy n ASP 224 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.79 2jqy n ASP 224 Cb 0.56 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.69 2jqy n ASP 224 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2jqy n ASP 225 N -2.30 -0.53 -4.21 -1.12 -0.08 -1.26 -5.09 116.55 101.96 2jqy n ASP 225 Ca 0.00 -0.87 -0.24 0.00 -1.51 0.00 0.00 54.79 52.16 2jqy n ASP 225 Cb 0.05 -0.18 -0.14 0.00 2.34 0.00 0.00 41.12 43.19 2jqy n ASP 225 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2jqy s ILE 226 N -1.43 1.51 0.54 5.18 1.09 -1.26 -5.14 121.20 121.68 2jqy s ILE 226 Ca 0.13 -1.07 -0.18 0.00 -1.10 0.00 0.00 60.65 58.43 2jqy s ILE 226 Cb -0.01 -1.31 -0.06 0.00 -1.06 0.00 0.00 42.46 40.02 2jqy s ILE 226 CO 0.09 0.21 1.05 -1.83 -0.10 0.00 0.00 174.94 174.36 2jqy s GLU 227 N -1.00 3.58 -0.96 2.79 1.03 -1.26 -4.99 118.70 117.89 2jqy s GLU 227 Ca 0.06 1.29 -0.13 0.00 0.03 0.00 0.00 54.97 56.22 2jqy s GLU 227 Cb -0.08 -2.07 0.23 0.00 -0.80 0.00 0.00 34.13 31.41 2jqy s GLU 227 CO 0.01 -0.60 0.97 1.03 -1.33 0.00 0.00 175.26 175.33 2jqy s ARG 228 N -3.63 3.84 0.65 -4.83 1.81 -1.26 -4.96 118.95 110.56 2jqy s ARG 228 Ca 0.66 -2.65 0.00 0.00 -1.72 0.00 0.00 55.73 52.02 2jqy s ARG 228 Cb -0.16 -4.57 0.00 0.00 -0.45 0.00 0.00 34.95 29.77 2jqy s ARG 228 CO 0.28 -1.36 0.00 0.39 -0.68 0.00 0.00 175.30 173.93 2jqy n GLU 229 N 3.94 -3.45 0.00 3.54 1.02 -1.26 -5.08 120.64 119.35 2jqy n GLU 229 Ca 0.20 2.83 0.00 0.00 -0.02 0.00 0.00 57.16 60.17 2jqy n GLU 229 Cb 0.44 -4.02 0.00 0.00 -0.02 0.00 0.00 31.44 27.84 2jqy n GLU 229 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jqy n GLY 230 N -4.40 4.15 3.13 0.62 0.00 -1.26 -5.15 105.19 102.28 2jqy n GLY 230 Ca -0.10 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 2jqy n GLY 230 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jqy s HIS 231 N -2.00 -0.17 -0.16 1.61 2.46 -1.26 -5.15 115.29 110.61 2jqy s HIS 231 Ca 0.00 0.40 -0.08 0.00 0.47 0.00 0.00 55.06 55.85 2jqy s HIS 231 Cb 0.00 0.06 -0.04 0.00 -0.13 0.00 0.00 32.58 32.46 2jqy s HIS 231 CO 0.00 -0.19 0.10 0.34 -2.47 0.00 0.00 174.74 172.52 2jqy s ASP 232 N -0.41 6.02 -0.24 9.88 2.15 -1.26 -5.01 116.67 127.80 2jqy s ASP 232 Ca -0.05 0.25 -0.16 0.00 0.43 0.00 0.00 52.55 53.02 2jqy s ASP 232 Cb -0.03 -2.00 -0.11 0.00 -0.30 0.00 0.00 42.92 40.48 2jqy s ASP 232 CO 0.01 0.26 -0.29 0.49 -0.17 0.00 0.00 175.17 175.47 2jqy n PHE 233 N 2.97 0.14 -2.62 -5.34 3.72 -1.26 -4.85 117.46 110.22 2jqy n PHE 233 Ca -0.18 0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 2jqy n PHE 233 Cb 0.53 -0.87 -0.03 0.00 -0.94 0.00 0.00 39.48 38.18 2jqy n PHE 233 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2jqy s ASN 234 N -6.94 6.42 0.03 4.37 0.01 -1.26 -4.69 114.94 112.88 2jqy s ASN 234 Ca -0.34 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 2jqy s ASN 234 Cb 0.11 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.23 2jqy s ASN 234 CO 0.47 -1.45 0.00 0.54 -1.51 0.00 0.00 177.10 175.15 2jqy n ARG 235 N 8.30 0.00 -3.22 -0.60 1.74 -1.26 -4.83 116.66 116.80 2jqy n ARG 235 Ca 0.07 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.77 2jqy n ARG 235 Cb 0.49 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.87 2jqy n ARG 235 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jqy s VAL 236 N -1.08 5.10 0.63 1.55 0.11 -1.26 -4.67 120.40 120.79 2jqy s VAL 236 Ca 0.00 1.14 -0.14 0.00 -2.93 0.00 0.00 61.98 60.06 2jqy s VAL 236 Cb 0.00 -3.90 -0.02 0.00 -1.53 0.00 0.00 36.38 30.93 2jqy s VAL 236 CO 0.00 0.32 1.06 -0.83 -3.33 0.00 0.00 175.10 172.32 2jqy s GLY 237 N 0.53 1.94 -0.25 6.54 0.00 -0.70 -4.50 107.32 110.89 2jqy s GLY 237 Ca 0.30 0.27 -0.02 0.00 0.00 0.00 0.00 44.72 45.27 2jqy s GLY 237 CO 0.14 0.59 0.28 1.08 0.00 0.00 0.00 173.10 175.18 2jqy s LEU 238 N -4.92 -0.25 -0.14 0.66 1.43 -0.99 -1.74 118.68 112.73 2jqy s LEU 238 Ca 0.61 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.19 2jqy s LEU 238 Cb -0.15 0.56 -0.04 0.00 0.03 0.00 0.00 46.19 46.59 2jqy s LEU 238 CO 0.44 -0.35 0.44 0.12 0.23 0.00 0.00 176.35 177.23 2jqy s PHE 239 N 2.38 3.47 -0.02 0.29 5.36 -1.13 -1.88 117.98 126.45 2jqy s PHE 239 Ca 0.09 0.79 -0.01 0.00 -0.96 0.00 0.00 56.93 56.83 2jqy s PHE 239 Cb -0.15 -2.52 -0.04 0.00 -0.34 0.00 0.00 43.02 39.97 2jqy s PHE 239 CO -0.21 0.13 0.10 0.71 -1.46 0.00 0.00 175.22 174.49 2jqy s TYR 240 N 0.78 3.36 -0.05 10.12 1.51 0.22 -2.71 117.35 130.58 2jqy s TYR 240 Ca 0.23 0.26 -0.02 0.00 -1.01 0.00 0.00 57.07 56.53 2jqy s TYR 240 Cb -0.15 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2jqy s TYR 240 CO 0.09 0.58 0.09 0.20 -1.11 0.00 0.00 175.55 175.40 2jqy s GLY 241 N -1.69 0.13 -0.03 0.71 0.00 -0.10 -0.80 107.32 105.53 2jqy s GLY 241 Ca 0.23 0.36 0.06 0.00 0.00 0.00 0.00 44.72 45.37 2jqy s GLY 241 CO 0.14 1.36 -0.21 -0.19 0.00 0.00 0.00 173.10 174.19 2jqy s TYR 242 N 1.98 1.99 -0.37 1.90 2.02 0.29 -2.50 117.35 122.67 2jqy s TYR 242 Ca 0.01 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2jqy s TYR 242 Cb -0.12 -1.30 0.15 0.00 -0.40 0.00 0.00 41.96 40.29 2jqy s TYR 242 CO -0.04 -0.11 0.31 0.34 -1.57 0.00 0.00 175.55 174.48 2jqy s ASP 243 N -0.30 1.88 -0.05 2.29 -1.08 -1.26 0.10 116.67 118.25 2jqy s ASP 243 Ca 0.03 -1.96 0.02 0.00 -0.52 0.00 0.00 52.55 50.12 2jqy s ASP 243 Cb -0.10 0.12 0.06 0.00 -1.46 0.00 0.00 42.92 41.54 2jqy s ASP 243 CO 0.01 -0.27 0.69 0.33 0.52 0.00 0.00 175.17 176.45 2jqy n PHE 244 N 4.02 -0.33 -2.37 -5.34 -0.00 -1.24 -4.99 117.46 107.22 2jqy n PHE 244 Ca 0.13 -0.46 -0.34 0.00 -0.00 0.00 0.00 57.45 56.78 2jqy n PHE 244 Cb 0.42 0.59 0.01 0.00 -0.00 0.00 0.00 39.48 40.51 2jqy n PHE 244 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2jqy n GLN 245 N -0.25 3.52 -2.29 -4.13 6.02 -1.07 -4.81 117.38 114.38 2jqy n GLN 245 Ca -0.13 -4.22 -0.16 0.00 -0.01 0.00 0.00 57.00 52.47 2jqy n GLN 245 Cb 0.55 -2.30 -0.01 0.00 1.02 0.00 0.00 30.24 29.51 2jqy n GLN 245 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jqy n ASN 246 N -0.39 -4.89 0.00 1.08 5.15 -1.26 -2.34 115.26 112.60 2jqy n ASN 246 Ca 0.45 -0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 2jqy n ASN 246 Cb 0.39 -4.00 0.00 0.00 -0.53 0.00 0.00 39.78 35.64 2jqy n ASN 246 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jqy n GLY 247 N -1.01 1.75 3.80 8.20 0.00 -1.26 -5.00 105.19 111.67 2jqy n GLY 247 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2jqy n GLY 247 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqy s LEU 248 N 0.00 4.47 0.34 0.99 0.20 -0.99 -1.56 118.68 122.14 2jqy s LEU 248 Ca 0.00 1.11 0.07 0.00 0.69 0.00 0.00 54.13 56.00 2jqy s LEU 248 Cb 0.00 -2.78 -0.01 0.00 -0.43 0.00 0.00 46.19 42.97 2jqy s LEU 248 CO 0.00 0.24 0.42 -0.55 -0.29 0.00 0.00 176.35 176.17 2jqy s SER 249 N -0.80 5.70 -0.22 3.68 0.15 -0.25 -2.59 113.70 119.37 2jqy s SER 249 Ca 0.27 -0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.54 2jqy s SER 249 Cb -0.18 -1.08 0.10 0.00 -1.71 0.00 0.00 66.02 63.15 2jqy s SER 249 CO 0.16 -0.44 0.43 -0.69 1.20 0.00 0.00 173.24 173.90 2jqy s VAL 250 N -2.24 -0.67 0.33 4.45 1.01 0.28 -2.27 120.40 121.28 2jqy s VAL 250 Ca 0.45 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.62 2jqy s VAL 250 Cb -0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2jqy s VAL 250 CO 0.30 0.03 0.18 -0.94 0.00 0.00 0.00 175.10 174.67 2jqy s SER 251 N 2.62 4.94 -0.08 3.32 1.04 -0.60 0.11 113.70 125.04 2jqy s SER 251 Ca 0.02 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.75 2jqy s SER 251 Cb -0.13 -0.87 0.03 0.00 0.10 0.00 0.00 66.02 65.15 2jqy s SER 251 CO -0.14 -0.27 0.21 -0.22 0.98 0.00 0.00 173.24 173.79 2jqy s LEU 252 N -3.88 0.96 -0.31 2.42 2.96 0.02 -0.42 118.68 120.43 2jqy s LEU 252 Ca 0.38 0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 54.63 2jqy s LEU 252 Cb -0.04 0.66 0.01 0.00 0.50 0.00 0.00 46.19 47.32 2jqy s LEU 252 CO 0.24 -0.10 0.11 -0.70 -1.32 0.00 0.00 176.35 174.57 2jqy s GLU 253 N 0.52 3.04 0.13 1.98 2.12 0.33 0.69 118.70 127.52 2jqy s GLU 253 Ca -0.03 -0.90 0.09 0.00 0.36 0.00 0.00 54.97 54.48 2jqy s GLU 253 Cb -0.05 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2jqy s GLU 253 CO -0.03 -0.49 -0.14 0.71 -0.54 0.00 0.00 175.26 174.77 2jqy s TYR 254 N 1.51 2.60 0.17 5.30 2.02 -0.78 -2.25 117.35 125.92 2jqy s TYR 254 Ca 0.02 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 2jqy s TYR 254 Cb -0.18 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 2jqy s TYR 254 CO 0.04 0.43 0.00 0.00 -1.57 0.00 0.00 175.55 174.45 2jqy n ALA 255 N 0.57 -1.90 -0.95 3.71 0.00 -1.26 -2.35 120.51 118.32 2jqy n ALA 255 Ca -0.14 0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.56 2jqy n ALA 255 Cb 0.53 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 2jqy n ALA 255 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jqy n PHE 256 N -3.10 -2.12 -2.54 0.00 7.35 -1.26 -4.79 117.46 111.00 2jqy n PHE 256 Ca 0.01 0.24 -0.05 0.00 -0.76 0.00 0.00 57.45 56.88 2jqy n PHE 256 Cb 0.34 -0.21 -0.04 0.00 0.35 0.00 0.00 39.48 39.92 2jqy n PHE 256 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2jqy n GLU 257 N -2.10 -4.60 -4.70 -4.13 1.02 -1.26 -5.01 120.64 99.86 2jqy n GLU 257 Ca 0.00 3.45 -0.31 0.00 -0.02 0.00 0.00 57.16 60.28 2jqy n GLU 257 Cb 0.09 -4.96 -0.07 0.00 -0.02 0.00 0.00 31.44 26.47 2jqy n GLU 257 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2jqy s TRP 258 N -0.64 1.78 0.15 -0.32 -2.14 -1.26 -5.11 118.94 111.40 2jqy s TRP 258 Ca -0.26 -1.10 0.04 0.00 2.66 0.00 0.00 56.10 57.44 2jqy s TRP 258 Cb 0.02 -1.45 -0.05 0.00 -3.10 0.00 0.00 33.47 28.89 2jqy s TRP 258 CO 0.70 0.03 -0.08 -0.65 -2.66 0.00 0.00 176.95 174.29 2jqy s GLN 259 N -3.83 1.07 -0.17 3.25 -1.52 -1.26 -5.06 119.66 112.14 2jqy s GLN 259 Ca 0.08 -1.47 0.08 0.00 -1.95 0.00 0.00 55.36 52.09 2jqy s GLN 259 Cb 0.01 -0.56 -0.22 0.00 -0.22 0.00 0.00 33.01 32.02 2jqy s GLN 259 CO 0.05 0.03 0.14 -0.25 -0.25 0.00 0.00 175.29 175.02 2jqy n ASP 260 N -0.21 1.15 -4.64 5.90 9.92 -1.26 -4.87 116.55 122.54 2jqy n ASP 260 Ca -0.10 0.07 -0.42 0.00 -0.53 0.00 0.00 54.79 53.82 2jqy n ASP 260 Cb 0.61 0.04 -0.04 0.00 -0.64 0.00 0.00 41.12 41.09 2jqy n ASP 260 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 2jqy s HIS 261 N -2.53 3.26 -0.08 1.24 2.46 -1.26 -5.03 115.29 113.35 2jqy s HIS 261 Ca -0.19 1.12 -0.00 0.00 0.47 0.00 0.00 55.06 56.46 2jqy s HIS 261 Cb 0.07 -3.25 0.02 0.00 -0.13 0.00 0.00 32.58 29.30 2jqy s HIS 261 CO 0.75 -0.52 -0.05 -0.51 -2.47 0.00 0.00 174.74 171.94 2jqy s ASP 262 N 1.45 1.75 0.00 9.88 1.01 -1.26 -4.99 116.67 124.51 2jqy s ASP 262 Ca 0.38 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.44 2jqy s ASP 262 Cb -0.14 -0.64 0.00 0.00 1.01 0.00 0.00 42.92 43.15 2jqy s ASP 262 CO 0.10 -0.12 0.00 -1.84 0.21 0.00 0.00 175.17 173.52 2jqy n GLU 263 N 4.78 0.00 -1.22 8.23 0.28 -1.26 -5.09 120.64 126.36 2jqy n GLU 263 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 2jqy n GLU 263 Cb 0.50 -0.90 0.00 0.00 1.43 0.00 0.00 31.44 32.47 2jqy n GLU 263 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jqy n GLY 264 N 3.19 0.74 0.10 -1.84 0.00 -1.26 -5.02 105.19 101.09 2jqy n GLY 264 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 2jqy n GLY 264 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqy n ASP 265 N -1.15 0.63 -3.61 1.61 -0.08 -1.26 -5.00 116.55 107.69 2jqy n ASP 265 Ca 0.00 0.17 -0.11 0.00 -1.51 0.00 0.00 54.79 53.33 2jqy n ASP 265 Cb 0.41 0.35 -0.07 0.00 2.34 0.00 0.00 41.12 44.15 2jqy n ASP 265 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2jqy s SER 266 N -5.91 -0.53 0.84 1.67 0.15 -1.26 -5.17 113.70 103.50 2jqy s SER 266 Ca -0.11 0.92 -0.10 0.00 0.70 0.00 0.00 55.95 57.36 2jqy s SER 266 Cb 0.07 0.89 0.10 0.00 -1.71 0.00 0.00 66.02 65.37 2jqy s SER 266 CO 0.81 -0.25 1.11 -0.62 1.20 0.00 0.00 173.24 175.48 2jqy s ASP 267 N -0.09 3.80 0.03 5.45 2.15 -1.26 -5.06 116.67 121.69 2jqy s ASP 267 Ca 0.00 1.90 0.02 0.00 0.43 0.00 0.00 52.55 54.91 2jqy s ASP 267 Cb -0.04 -2.50 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2jqy s ASP 267 CO -0.02 -2.50 -0.08 -0.54 -0.17 0.00 0.00 175.17 171.87 2jqy s LYS 268 N -4.81 0.52 1.16 4.34 1.02 -1.26 -5.16 119.74 115.55 2jqy s LYS 268 Ca 0.63 -0.60 -0.19 0.00 0.02 0.00 0.00 55.97 55.83 2jqy s LYS 268 Cb -0.19 -0.37 0.27 0.00 -0.52 0.00 0.00 37.83 37.03 2jqy s LYS 268 CO 0.57 0.08 1.17 0.12 -0.92 0.00 0.00 175.35 176.37 2jqy s PHE 269 N -1.01 0.61 -0.36 3.18 5.36 -1.26 -4.89 117.98 119.61 2jqy s PHE 269 Ca -0.06 0.40 -0.28 0.00 -0.96 0.00 0.00 56.93 56.03 2jqy s PHE 269 Cb -0.08 -3.66 -0.04 0.00 -0.34 0.00 0.00 43.02 38.91 2jqy s PHE 269 CO 0.00 -3.66 2.05 -1.01 -1.46 0.00 0.00 175.22 171.14 2jqy s HIS 270 N -3.25 1.45 0.36 10.12 3.76 -1.26 -4.94 115.29 121.52 2jqy s HIS 270 Ca 0.72 0.79 -0.27 0.00 -0.15 0.00 0.00 55.06 56.15 2jqy s HIS 270 Cb -0.07 -3.96 -0.09 0.00 1.11 0.00 0.00 32.58 29.57 2jqy s HIS 270 CO 0.55 -3.16 1.21 0.71 -0.85 0.00 0.00 174.74 173.20 2jqy s TYR 271 N 8.59 3.14 -0.27 1.40 1.51 -1.26 -5.02 117.35 125.44 2jqy s TYR 271 Ca 0.88 1.53 -0.27 0.00 -1.01 0.00 0.00 57.07 58.20 2jqy s TYR 271 Cb -0.24 -3.49 0.16 0.00 -0.11 0.00 0.00 41.96 38.29 2jqy s TYR 271 CO 0.31 -1.41 1.25 0.00 -1.11 0.00 0.00 175.55 174.59 2jqy s ALA 272 N -1.27 -2.09 0.43 3.71 0.00 -1.26 -4.29 121.76 117.00 2jqy s ALA 272 Ca 0.52 1.76 0.08 0.00 0.00 0.00 0.00 51.96 54.31 2jqy s ALA 272 Cb -0.34 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 2jqy s ALA 272 CO 0.44 -0.20 0.41 0.20 0.00 0.00 0.00 175.76 176.61 2jqy s GLY 273 N -0.38 2.13 0.00 0.00 0.00 -0.95 -3.47 107.32 104.65 2jqy s GLY 273 Ca 0.05 -1.84 0.01 0.00 0.00 0.00 0.00 44.72 42.94 2jqy s GLY 273 CO -0.08 -1.70 -0.03 0.14 0.00 0.00 0.00 173.10 171.43 2jqy s VAL 274 N -2.49 0.22 0.46 1.40 1.01 -0.69 -0.51 120.40 119.80 2jqy s VAL 274 Ca 0.48 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2jqy s VAL 274 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 2jqy s VAL 274 CO 0.28 -0.03 0.09 -0.83 0.00 0.00 0.00 175.10 174.61 2jqy s GLY 275 N -0.32 2.83 -0.18 4.51 0.00 0.44 -0.15 107.32 114.45 2jqy s GLY 275 Ca -0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 44.72 43.72 2jqy s GLY 275 CO -0.00 -1.97 0.50 0.14 0.00 0.00 0.00 173.10 171.77 2jqy s VAL 276 N -3.07 0.00 -0.33 1.40 1.01 0.54 -1.56 120.40 118.39 2jqy s VAL 276 Ca 0.15 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.14 2jqy s VAL 276 Cb 0.01 -0.70 0.15 0.00 0.00 0.00 0.00 36.38 35.84 2jqy s VAL 276 CO 0.10 -0.01 0.35 0.21 0.00 0.00 0.00 175.10 175.75 2jqy s ASN 277 N 0.20 1.30 0.29 3.32 3.84 -0.96 -1.55 114.94 121.37 2jqy s ASN 277 Ca -0.01 -1.12 -0.04 0.00 0.21 0.00 0.00 52.86 51.90 2jqy s ASN 277 Cb -0.03 0.59 -0.05 0.00 -0.55 0.00 0.00 41.25 41.21 2jqy s ASN 277 CO 0.01 -0.32 0.54 -0.47 -2.79 0.00 0.00 177.10 174.07 2jqy s TYR 278 N 1.92 3.48 -0.01 0.43 6.14 0.81 -1.09 117.35 129.04 2jqy s TYR 278 Ca 0.13 0.60 -0.04 0.00 0.64 0.00 0.00 57.07 58.40 2jqy s TYR 278 Cb -0.14 -2.07 -0.00 0.00 0.42 0.00 0.00 41.96 40.16 2jqy s TYR 278 CO -0.18 0.18 0.09 -1.54 0.64 0.00 0.00 175.55 174.74 2jqy s SER 279 N -3.22 0.03 0.00 4.32 1.04 -0.60 -1.28 113.70 113.99 2jqy s SER 279 Ca 0.43 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2jqy s SER 279 Cb -0.11 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2jqy s SER 279 CO 0.30 -0.25 0.00 0.33 0.98 0.00 0.00 173.24 174.61