#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eaj n GLY 2 N 0.00 -0.27 2.66 5.00 0.00 -1.26 -5.01 105.19 106.31 3eaj n GLY 2 Ca 0.00 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 3eaj n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3eaj s PHE 3 N -2.73 0.30 -0.01 1.61 5.36 -1.26 -4.95 117.98 116.29 3eaj s PHE 3 Ca 0.00 -0.16 0.05 0.00 -0.96 0.00 0.00 56.93 55.86 3eaj s PHE 3 Cb 0.00 -0.67 -0.03 0.00 -0.34 0.00 0.00 43.02 41.98 3eaj s PHE 3 CO 0.00 -0.39 -0.14 1.03 -1.46 0.00 0.00 175.22 174.25 3eaj s ARG 4 N 2.10 2.37 -0.52 10.12 1.81 -1.26 -5.08 118.95 128.48 3eaj s ARG 4 Ca 0.03 -0.79 -0.28 0.00 -1.72 0.00 0.00 55.73 52.96 3eaj s ARG 4 Cb -0.14 -2.33 0.02 0.00 -0.45 0.00 0.00 34.95 32.05 3eaj s ARG 4 CO -0.06 0.59 1.32 0.21 -0.68 0.00 0.00 175.30 176.68 3eaj s LYS 5 N -1.06 3.48 0.26 3.54 2.20 -1.26 -5.01 119.74 121.89 3eaj s LYS 5 Ca 0.13 0.53 0.10 0.00 -0.36 0.00 0.00 55.97 56.37 3eaj s LYS 5 Cb -0.11 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 3eaj s LYS 5 CO 0.03 -1.71 -0.05 -1.64 -0.36 0.00 0.00 175.35 171.62 3eaj s MET 6 N 5.09 2.15 0.33 4.03 -1.94 -1.26 -4.83 119.30 122.88 3eaj s MET 6 Ca 0.51 -1.48 0.05 0.00 -1.71 0.00 0.00 55.69 53.07 3eaj s MET 6 Cb -0.10 -2.08 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 3eaj s MET 6 CO 0.28 0.36 0.48 0.00 -0.01 0.00 0.00 175.02 176.13 3eaj s ALA 7 N -2.32 4.12 0.53 3.03 0.00 -1.26 -4.70 121.76 121.16 3eaj s ALA 7 Ca 0.31 -1.36 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 3eaj s ALA 7 Cb -0.06 -1.75 -0.06 0.00 0.00 0.00 0.00 23.12 21.24 3eaj s ALA 7 CO 0.19 -0.03 1.06 -0.06 0.00 0.00 0.00 175.76 176.91 3eaj s PHE 8 N -2.19 2.93 0.25 0.00 0.08 -1.26 -4.98 117.98 112.81 3eaj s PHE 8 Ca 0.44 1.55 -0.31 0.00 0.12 0.00 0.00 56.93 58.73 3eaj s PHE 8 Cb -0.09 -3.09 -0.13 0.00 -0.57 0.00 0.00 43.02 39.14 3eaj s PHE 8 CO 0.32 -1.05 1.54 -2.30 -0.10 0.00 0.00 175.22 173.62 3eaj n PRO 9 N -1.35 2.41 -0.26 0.24 -0.02 -1.26 -4.86 135.00 129.90 3eaj n PRO 9 Ca 0.10 0.86 0.09 0.00 -2.02 0.00 0.00 63.50 62.53 3eaj n PRO 9 Cb 0.52 -2.61 0.25 0.00 -0.02 0.00 0.00 33.50 31.65 3eaj n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3eaj n SER 10 N 2.49 2.93 0.12 2.55 3.41 -1.26 -4.50 113.62 119.35 3eaj n SER 10 Ca 0.11 -1.98 -0.13 0.00 -0.26 0.00 0.00 58.87 56.62 3eaj n SER 10 Cb 0.34 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3eaj n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3eaj h GLY 11 N 4.78 -0.29 2.00 5.00 0.00 -2.00 -0.11 103.07 112.45 3eaj h GLY 11 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3eaj h GLY 11 CO 0.00 -0.14 -0.01 0.50 0.00 0.00 0.00 176.54 176.90 3eaj h LYS 12 N -0.30 0.00 0.03 4.80 1.57 -1.97 -2.61 116.57 118.09 3eaj h LYS 12 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 3eaj h LYS 12 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 3eaj h LYS 12 CO -0.03 0.01 -1.91 0.28 -0.57 0.00 0.00 179.45 177.22 3eaj n VAL 13 N -3.87 1.61 0.03 0.50 0.31 -0.94 -4.07 118.33 111.89 3eaj n VAL 13 Ca -0.03 -0.76 0.15 0.00 -0.01 0.00 0.00 64.34 63.69 3eaj n VAL 13 Cb 0.09 -1.14 0.62 0.00 -0.91 0.00 0.00 33.84 32.50 3eaj n VAL 13 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3eaj h GLU 14 N 0.02 0.13 -0.92 5.55 5.08 -0.62 -1.02 114.58 122.79 3eaj h GLU 14 Ca -0.37 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3eaj h GLU 14 Cb 2.05 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 3eaj h GLU 14 CO 0.07 0.09 0.01 0.41 -1.00 0.00 0.00 179.01 178.58 3eaj n GLY 15 N -1.58 1.83 0.00 -3.84 0.00 -1.22 -3.18 105.19 97.20 3eaj n GLY 15 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3eaj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eaj s MET 17 N -0.11 4.35 0.31 0.00 1.00 -1.19 0.08 119.30 123.74 3eaj s MET 17 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 55.69 56.59 3eaj s MET 17 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 34.83 31.27 3eaj s MET 17 CO 0.00 -0.11 0.09 0.14 0.00 0.00 0.00 175.02 175.14 3eaj s VAL 18 N 1.40 0.82 -0.04 -6.03 -7.23 -0.57 -4.70 120.40 104.05 3eaj s VAL 18 Ca 0.36 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3eaj s VAL 18 Cb -0.17 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 3eaj s VAL 18 CO 0.15 0.00 0.07 -1.58 -0.31 0.00 0.00 175.10 173.43 3eaj s GLN 19 N -3.92 3.09 -0.10 4.82 0.74 -0.93 -0.84 119.66 122.52 3eaj s GLN 19 Ca 0.36 -0.42 -0.01 0.00 0.05 0.00 0.00 55.36 55.33 3eaj s GLN 19 Cb 0.07 -2.89 0.03 0.00 1.10 0.00 0.00 33.01 31.33 3eaj s GLN 19 CO 0.15 0.68 -0.01 0.08 -0.55 0.00 0.00 175.29 175.63 3eaj s VAL 20 N -1.11 0.55 -0.01 1.34 1.01 0.29 -1.75 120.40 120.72 3eaj s VAL 20 Ca 0.20 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.13 3eaj s VAL 20 Cb -0.12 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3eaj s VAL 20 CO 0.10 0.20 -0.16 -0.89 0.00 0.00 0.00 175.10 174.34 3eaj s THR 21 N 1.89 2.89 -0.33 3.92 2.01 0.12 -1.93 115.64 124.20 3eaj s THR 21 Ca 0.04 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.11 3eaj s THR 21 Cb -0.13 -2.16 0.15 0.00 0.01 0.00 0.00 72.50 70.37 3eaj s THR 21 CO -0.06 0.48 0.39 0.00 -0.69 0.00 0.00 174.62 174.73 3eaj n GLY 23 N 4.90 1.90 1.26 0.00 0.00 -1.26 -2.96 105.19 109.02 3eaj n GLY 23 Ca 0.04 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.70 3eaj n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3eaj n THR 24 N 0.00 1.23 -5.24 2.61 5.66 -1.26 -4.90 114.28 112.39 3eaj n THR 24 Ca 0.00 -0.89 -0.31 0.00 -3.05 0.00 0.00 64.05 59.79 3eaj n THR 24 Cb 0.00 0.17 -0.17 0.00 -1.55 0.00 0.00 70.33 68.78 3eaj n THR 24 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3eaj s THR 25 N -1.59 2.03 -0.00 1.09 2.01 -1.16 -5.13 115.64 112.90 3eaj s THR 25 Ca 0.41 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.41 3eaj s THR 25 Cb 0.25 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 3eaj s THR 25 CO 0.22 0.56 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.69 3eaj s THR 26 N -0.02 1.05 0.22 -0.82 2.01 -1.26 -1.16 115.64 115.66 3eaj s THR 26 Ca -0.08 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 3eaj s THR 26 Cb -0.15 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.50 3eaj s THR 26 CO 0.05 0.26 0.40 0.00 -0.69 0.00 0.00 174.62 174.64 3eaj n LEU 27 N 2.65 0.00 -4.92 4.42 -0.00 -0.82 -4.68 117.00 113.65 3eaj n LEU 27 Ca -0.14 -1.52 -0.28 0.00 -0.00 0.00 0.00 56.01 54.07 3eaj n LEU 27 Cb 0.55 1.96 -0.03 0.00 -0.00 0.00 0.00 43.42 45.90 3eaj n LEU 27 CO 0.24 -0.45 0.05 0.20 -0.00 0.00 0.00 177.39 177.43 3eaj s ASN 28 N -2.20 6.40 0.09 1.45 0.01 -0.63 -0.55 114.94 119.52 3eaj s ASN 28 Ca 0.11 0.46 0.02 0.00 -0.71 0.00 0.00 52.86 52.74 3eaj s ASN 28 Cb -0.02 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 3eaj s ASN 28 CO 0.08 -0.06 -0.07 -0.83 -1.51 0.00 0.00 177.10 174.71 3eaj s GLY 29 N -3.14 0.75 -0.26 0.66 0.00 -0.02 -4.31 107.32 100.99 3eaj s GLY 29 Ca 0.39 -1.26 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 3eaj s GLY 29 CO 0.29 -1.36 0.02 -2.27 0.00 0.00 0.00 173.10 169.78 3eaj s LEU 30 N -2.81 3.45 -0.53 0.66 1.98 0.14 -1.51 118.68 120.06 3eaj s LEU 30 Ca 0.09 -0.60 -0.10 0.00 -2.89 0.00 0.00 54.13 50.63 3eaj s LEU 30 Cb 0.03 -1.81 0.14 0.00 0.66 0.00 0.00 46.19 45.20 3eaj s LEU 30 CO -0.04 -0.12 0.41 0.86 -1.89 0.00 0.00 176.35 175.58 3eaj s TRP 31 N 1.48 3.45 -0.15 5.38 -0.00 0.11 -0.55 118.94 128.65 3eaj s TRP 31 Ca 0.03 -1.93 0.01 0.00 -0.00 0.00 0.00 56.10 54.22 3eaj s TRP 31 Cb -0.16 -3.53 0.01 0.00 -0.00 0.00 0.00 33.47 29.79 3eaj s TRP 31 CO -0.00 -0.98 -0.19 -0.51 -0.00 0.00 0.00 176.95 175.27 3eaj s LEU 32 N 1.10 2.26 0.00 5.86 1.43 -0.73 -4.69 118.68 123.92 3eaj s LEU 32 Ca 0.08 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3eaj s LEU 32 Cb -0.24 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3eaj s LEU 32 CO -0.02 0.07 0.00 0.47 0.23 0.00 0.00 176.35 177.11 3eaj n ASP 33 N 4.12 0.00 -1.98 2.29 8.00 -1.26 -2.33 116.55 125.39 3eaj n ASP 33 Ca -0.20 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.08 3eaj n ASP 33 Cb 0.51 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.76 3eaj n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3eaj n ASP 34 N 4.06 4.50 -4.04 -2.24 3.85 -1.26 -0.80 116.55 120.63 3eaj n ASP 34 Ca 0.00 -3.71 -0.25 0.00 -0.71 0.00 0.00 54.79 50.12 3eaj n ASP 34 Cb 0.00 -0.79 -0.17 0.00 -1.35 0.00 0.00 41.12 38.82 3eaj n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3eaj s THR 35 N -3.77 1.18 -0.21 2.12 2.01 -0.99 -1.46 115.64 114.53 3eaj s THR 35 Ca 0.55 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 3eaj s THR 35 Cb 0.46 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 3eaj s THR 35 CO 0.05 0.36 0.07 -0.69 -0.69 0.00 0.00 174.62 173.72 3eaj s VAL 36 N 0.60 4.60 -0.12 3.82 1.01 0.33 -1.76 120.40 128.88 3eaj s VAL 36 Ca -0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3eaj s VAL 36 Cb -0.16 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3eaj s VAL 36 CO 0.04 0.41 0.06 -0.31 0.00 0.00 0.00 175.10 175.29 3eaj s TYR 37 N 0.88 3.32 0.23 5.22 2.02 0.28 -1.25 117.35 128.05 3eaj s TYR 37 Ca 0.04 0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.89 3eaj s TYR 37 Cb -0.14 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.53 3eaj s TYR 37 CO 0.03 0.49 0.43 0.00 -1.57 0.00 0.00 175.55 174.93 3eaj s PRO 39 N -4.00 4.32 0.43 0.00 0.02 -1.26 -0.43 135.00 134.08 3eaj s PRO 39 Ca 0.21 2.26 0.30 0.00 0.02 0.00 0.00 61.00 63.79 3eaj s PRO 39 Cb 0.00 -3.07 1.29 0.00 0.02 0.00 0.00 34.50 32.75 3eaj s PRO 39 CO 0.06 -0.25 1.89 0.07 -0.33 0.00 0.00 177.00 178.44 3eaj h ARG 40 N 3.55 0.00 -0.06 5.54 0.11 -0.81 -2.69 114.38 120.03 3eaj h ARG 40 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3eaj h ARG 40 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3eaj h ARG 40 CO 0.67 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.35 3eaj n HIS 41 N -2.70 0.00 0.27 4.08 1.44 -1.26 -2.77 115.22 114.28 3eaj n HIS 41 Ca 0.01 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.79 3eaj n HIS 41 Cb 0.24 -0.01 0.33 0.00 0.12 0.00 0.00 29.99 30.67 3eaj n HIS 41 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 3eaj n VAL 42 N -0.47 1.23 -1.11 0.61 3.14 -1.01 -1.55 118.33 119.17 3eaj n VAL 42 Ca 0.00 0.42 -0.06 0.00 -2.96 0.00 0.00 64.34 61.73 3eaj n VAL 42 Cb 0.02 -1.33 0.28 0.00 -1.06 0.00 0.00 33.84 31.74 3eaj n VAL 42 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 3eaj n ILE 43 N -1.84 2.87 -4.42 1.55 -5.35 -1.12 -4.41 119.36 106.64 3eaj n ILE 43 Ca 0.01 -1.82 -0.22 0.00 -0.27 0.00 0.00 62.75 60.46 3eaj n ILE 43 Cb 0.11 -0.36 -0.10 0.00 -1.74 0.00 0.00 39.64 37.55 3eaj n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3eaj s THR 45 N -2.71 -0.10 0.00 0.00 -1.32 -1.26 -4.83 115.64 105.41 3eaj s THR 45 Ca 0.27 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 3eaj s THR 45 Cb -0.03 -0.14 0.00 0.00 -1.51 0.00 0.00 72.50 70.82 3eaj s THR 45 CO 0.12 0.13 0.00 0.00 -2.21 0.00 0.00 174.62 172.65 3eaj n ALA 46 N 4.70 0.00 0.67 11.08 0.00 -1.26 0.27 120.51 135.97 3eaj n ALA 46 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.40 3eaj n ALA 46 Cb 0.50 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.28 3eaj n ALA 46 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3eaj n GLU 47 N 0.00 0.23 -0.27 0.00 0.00 -1.26 -2.76 120.64 116.58 3eaj n GLU 47 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 57.16 57.42 3eaj n GLU 47 Cb 0.00 -1.71 0.38 0.00 0.00 0.00 0.00 31.44 30.11 3eaj n GLU 47 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3eaj h ASP 48 N 0.00 0.65 1.22 -1.84 3.32 0.35 -1.19 116.42 118.92 3eaj h ASP 48 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3eaj h ASP 48 Cb 0.70 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3eaj h ASP 48 CO 0.00 0.32 -0.06 0.24 -1.72 0.00 0.00 179.24 178.02 3eaj h MET 49 N 0.68 0.00 0.00 3.56 2.86 -1.61 -1.49 114.93 118.92 3eaj h MET 49 Ca 0.46 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.07 3eaj h MET 49 Cb 0.76 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 3eaj h MET 49 CO -0.21 0.06 -0.15 -0.07 1.06 0.00 0.00 176.91 177.59 3eaj h LEU 50 N 0.00 0.00 -5.00 1.22 3.38 -1.34 -0.59 115.31 112.97 3eaj h LEU 50 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3eaj h LEU 50 Cb 0.68 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.30 3eaj h LEU 50 CO 0.01 0.15 -0.21 -3.20 0.09 0.00 0.00 178.44 175.28 3eaj n ASN 51 N -3.35 -1.90 -4.73 -0.43 5.15 -1.13 -4.79 115.26 104.07 3eaj n ASN 51 Ca -0.00 -2.58 -0.41 0.00 -0.60 0.00 0.00 54.58 50.99 3eaj n ASN 51 Cb 0.36 1.36 -0.03 0.00 -0.53 0.00 0.00 39.78 40.93 3eaj n ASN 51 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3eaj s PRO 52 N 0.27 4.49 -0.46 1.20 0.02 -0.58 -4.99 135.00 134.95 3eaj s PRO 52 Ca 0.25 1.86 -0.08 0.00 0.02 0.00 0.00 61.00 63.05 3eaj s PRO 52 Cb 0.25 -3.25 0.12 0.00 0.02 0.00 0.00 34.50 31.63 3eaj s PRO 52 CO -0.15 -0.10 0.32 1.21 -0.33 0.00 0.00 177.00 177.95 3eaj s ASN 53 N 0.22 5.63 0.28 2.53 3.84 -1.26 -4.97 114.94 121.21 3eaj s ASN 53 Ca 0.53 -1.91 0.02 0.00 0.21 0.00 0.00 52.86 51.72 3eaj s ASN 53 Cb -0.32 -1.98 0.40 0.00 -0.55 0.00 0.00 41.25 38.80 3eaj s ASN 53 CO 0.36 -0.66 1.72 1.88 -2.79 0.00 0.00 177.10 177.60 3eaj h TYR 54 N 8.39 0.56 0.16 0.43 -1.99 -1.97 0.68 116.97 123.22 3eaj h TYR 54 Ca -0.20 -0.12 0.01 0.00 2.00 0.00 0.00 58.73 60.42 3eaj h TYR 54 Cb 1.07 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.64 3eaj h TYR 54 CO 0.62 0.70 -0.20 0.93 -0.00 0.00 0.00 178.16 180.22 3eaj h GLU 55 N 0.44 -0.39 -0.16 4.88 3.07 -1.99 0.60 114.58 121.03 3eaj h GLU 55 Ca 0.07 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.99 3eaj h GLU 55 Cb 0.66 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 3eaj h GLU 55 CO 0.05 -0.26 -0.05 -0.44 -1.40 0.00 0.00 179.01 176.91 3eaj h ASP 56 N -0.41 -0.18 -0.51 1.42 5.19 -1.92 -2.54 116.42 117.48 3eaj h ASP 56 Ca 0.01 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3eaj h ASP 56 Cb 0.40 0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 3eaj h ASP 56 CO -0.08 -0.07 0.32 -0.07 -3.12 0.00 0.00 179.24 176.23 3eaj h LEU 57 N -0.01 0.60 0.00 1.55 3.38 -0.58 -3.02 115.31 117.23 3eaj h LEU 57 Ca 0.08 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3eaj h LEU 57 Cb 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3eaj h LEU 57 CO -0.18 0.45 -1.15 0.25 0.09 0.00 0.00 178.44 177.91 3eaj h LEU 58 N 0.71 0.00 -1.61 1.67 5.85 -0.81 -3.16 115.31 117.95 3eaj h LEU 58 Ca 0.19 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3eaj h LEU 58 Cb -0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3eaj h LEU 58 CO -0.04 0.67 -0.21 -0.29 -0.34 0.00 0.00 178.44 178.23 3eaj h ILE 59 N 0.00 0.82 -0.19 4.05 6.09 -1.32 -2.45 117.51 124.50 3eaj h ILE 59 Ca -0.12 -0.81 -0.04 0.00 -1.37 0.00 0.00 64.86 62.53 3eaj h ILE 59 Cb 1.61 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 40.36 3eaj h ILE 59 CO 0.07 0.20 0.04 0.54 -3.07 0.00 0.00 178.15 175.93 3eaj n ARG 60 N -3.81 1.92 -4.14 2.19 1.74 -1.19 -4.83 116.66 108.54 3eaj n ARG 60 Ca -0.02 -0.88 -0.12 0.00 -0.77 0.00 0.00 57.85 56.07 3eaj n ARG 60 Cb 0.31 -1.62 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 3eaj n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3eaj s LYS 61 N -1.36 0.74 0.29 5.56 -0.14 -0.92 -5.10 119.74 118.81 3eaj s LYS 61 Ca 0.16 -1.13 0.02 0.00 -1.36 0.00 0.00 55.97 53.65 3eaj s LYS 61 Cb 0.12 -0.28 -0.05 0.00 -1.68 0.00 0.00 37.83 35.94 3eaj s LYS 61 CO 0.04 0.02 0.09 -1.54 -0.76 0.00 0.00 175.35 173.20 3eaj s SER 62 N -2.51 1.66 0.39 2.83 1.04 -1.26 -5.02 113.70 110.83 3eaj s SER 62 Ca 0.04 -1.40 0.24 0.00 0.48 0.00 0.00 55.95 55.31 3eaj s SER 62 Cb -0.01 0.11 1.38 0.00 0.10 0.00 0.00 66.02 67.60 3eaj s SER 62 CO -0.02 -0.71 1.57 0.59 0.98 0.00 0.00 173.24 175.65 3eaj n ASN 63 N -0.59 0.31 0.00 7.02 3.02 -1.26 -0.01 115.26 123.75 3eaj n ASN 63 Ca -0.01 1.59 0.13 0.00 -0.03 0.00 0.00 54.58 56.26 3eaj n ASN 63 Cb 0.66 -0.78 0.72 0.00 -0.61 0.00 0.00 39.78 39.78 3eaj n ASN 63 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3eaj n HIS 64 N -5.12 0.00 0.25 3.10 8.25 -1.26 -2.76 115.22 117.68 3eaj n HIS 64 Ca 0.39 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.93 3eaj n HIS 64 Cb 1.36 -0.18 0.24 0.00 1.12 0.00 0.00 29.99 32.53 3eaj n HIS 64 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3eaj n SER 65 N -1.18 2.94 -3.99 0.41 3.41 0.98 -4.77 113.62 111.42 3eaj n SER 65 Ca 0.16 -2.00 -0.31 0.00 -0.26 0.00 0.00 58.87 56.46 3eaj n SER 65 Cb 0.16 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.60 3eaj n SER 65 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3eaj s PHE 66 N -1.27 3.21 -0.10 7.33 0.08 -1.11 -4.45 117.98 121.67 3eaj s PHE 66 Ca 0.37 -2.52 -0.22 0.00 0.12 0.00 0.00 56.93 54.67 3eaj s PHE 66 Cb 0.19 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 3eaj s PHE 66 CO 0.25 -0.90 0.67 -1.17 -0.10 0.00 0.00 175.22 173.97 3eaj s LEU 67 N 1.10 4.27 -0.05 -0.37 2.96 -0.55 -4.65 118.68 121.40 3eaj s LEU 67 Ca 0.04 1.08 0.04 0.00 -0.22 0.00 0.00 54.13 55.06 3eaj s LEU 67 Cb -0.19 -3.01 -0.00 0.00 0.50 0.00 0.00 46.19 43.49 3eaj s LEU 67 CO -0.09 -0.14 -0.16 0.68 -1.32 0.00 0.00 176.35 175.32 3eaj s VAL 68 N 1.04 1.38 -0.16 1.68 -7.23 -1.26 0.11 120.40 115.95 3eaj s VAL 68 Ca 0.34 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 3eaj s VAL 68 Cb -0.17 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.60 3eaj s VAL 68 CO 0.15 0.40 -0.15 -1.10 -0.31 0.00 0.00 175.10 174.09 3eaj s GLN 69 N 0.14 2.40 -0.68 4.82 -0.21 -0.72 -1.62 119.66 123.80 3eaj s GLN 69 Ca -0.06 -0.62 -0.23 0.00 0.02 0.00 0.00 55.36 54.48 3eaj s GLN 69 Cb -0.12 -2.20 0.07 0.00 1.00 0.00 0.00 33.01 31.76 3eaj s GLN 69 CO 0.03 -0.24 1.00 0.00 -2.12 0.00 0.00 175.29 173.96 3eaj s ALA 70 N 1.45 3.09 0.00 6.09 0.00 -1.24 -2.18 121.76 128.97 3eaj s ALA 70 Ca 0.05 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.17 3eaj s ALA 70 Cb -0.13 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.08 3eaj s ALA 70 CO -0.11 -2.84 0.00 0.41 0.00 0.00 0.00 175.76 173.22 3eaj n GLY 71 N 5.35 2.14 0.11 0.00 0.00 -1.26 -2.40 105.19 109.13 3eaj n GLY 71 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.75 3eaj n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3eaj n ASN 72 N 9.64 1.37 -2.71 1.61 0.23 -1.26 -4.94 115.26 119.20 3eaj n ASN 72 Ca 0.00 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 3eaj n ASN 72 Cb 0.00 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 3eaj n ASN 72 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3eaj n VAL 73 N 0.07 0.00 -3.67 3.53 0.31 -1.01 -5.07 118.33 112.50 3eaj n VAL 73 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.27 3eaj n VAL 73 Cb 0.10 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.07 3eaj n VAL 73 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3eaj s GLN 74 N -2.56 0.49 0.19 5.55 -0.21 -1.26 -3.63 119.66 118.24 3eaj s GLN 74 Ca 0.00 1.05 -0.13 0.00 0.02 0.00 0.00 55.36 56.30 3eaj s GLN 74 Cb 0.00 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 34.15 3eaj s GLN 74 CO 0.00 -0.18 0.58 -0.51 -2.12 0.00 0.00 175.29 173.06 3eaj s LEU 75 N 1.90 4.27 -0.32 2.90 1.43 -0.64 -4.90 118.68 123.32 3eaj s LEU 75 Ca -0.08 1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.95 3eaj s LEU 75 Cb -0.09 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 3eaj s LEU 75 CO -0.16 0.02 0.38 -0.60 0.23 0.00 0.00 176.35 176.22 3eaj s ARG 76 N -2.29 3.71 -0.05 1.70 3.52 -1.26 -4.35 118.95 119.92 3eaj s ARG 76 Ca 0.42 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 3eaj s ARG 76 Cb -0.14 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 3eaj s ARG 76 CO 0.20 -0.46 1.01 0.54 -0.81 0.00 0.00 175.30 175.78 3eaj s VAL 77 N 2.08 4.76 -0.10 7.11 0.11 -1.26 -1.86 120.40 131.24 3eaj s VAL 77 Ca 0.13 2.01 0.14 0.00 -2.93 0.00 0.00 61.98 61.33 3eaj s VAL 77 Cb -0.16 -4.29 0.23 0.00 -1.53 0.00 0.00 36.38 30.63 3eaj s VAL 77 CO 0.11 0.08 1.12 2.30 -3.33 0.00 0.00 175.10 175.37 3eaj n ILE 78 N 4.25 1.35 0.00 7.04 -5.35 -0.22 -4.61 119.36 121.82 3eaj n ILE 78 Ca 0.08 -1.69 0.00 0.00 -0.27 0.00 0.00 62.75 60.86 3eaj n ILE 78 Cb 0.49 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 3eaj n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3eaj n GLY 79 N -0.97 1.50 3.21 3.28 0.00 -1.22 -4.90 105.19 106.10 3eaj n GLY 79 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 3eaj n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3eaj s HIS 80 N -1.66 0.10 0.00 1.61 -3.43 -1.26 -1.72 115.29 108.94 3eaj s HIS 80 Ca 0.00 -0.48 -0.30 0.00 -0.80 0.00 0.00 55.06 53.48 3eaj s HIS 80 Cb 0.00 -0.02 0.11 0.00 -1.43 0.00 0.00 32.58 31.23 3eaj s HIS 80 CO 0.00 -0.54 1.15 -1.54 -2.00 0.00 0.00 174.74 171.81 3eaj s SER 81 N -2.72 -0.13 -0.28 7.38 1.04 -0.86 -4.99 113.70 113.13 3eaj s SER 81 Ca 0.03 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.30 3eaj s SER 81 Cb 0.04 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.50 3eaj s SER 81 CO -0.10 -0.48 0.02 -0.32 0.98 0.00 0.00 173.24 173.35 3eaj s MET 82 N -2.71 1.26 -0.41 4.02 1.75 -1.26 -0.82 119.30 121.12 3eaj s MET 82 Ca 0.12 -1.22 -0.19 0.00 -1.25 0.00 0.00 55.69 53.15 3eaj s MET 82 Cb 0.02 -2.54 0.02 0.00 2.84 0.00 0.00 34.83 35.16 3eaj s MET 82 CO -0.03 -0.81 0.54 -1.14 -0.65 0.00 0.00 175.02 172.93 3eaj s GLN 83 N 1.35 3.28 2.71 4.11 0.74 -0.50 -4.93 119.66 126.43 3eaj s GLN 83 Ca 0.04 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 54.98 3eaj s GLN 83 Cb -0.18 -3.93 0.00 0.00 1.10 0.00 0.00 33.01 30.00 3eaj s GLN 83 CO -0.13 -0.88 0.00 0.09 -0.55 0.00 0.00 175.29 173.83 3eaj n ASN 84 N 5.91 0.00 -1.16 6.67 3.02 -1.26 0.22 115.26 128.67 3eaj n ASN 84 Ca -0.04 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.60 3eaj n ASN 84 Cb 0.48 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.92 3eaj n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3eaj s LEU 86 N -1.21 3.42 -0.22 0.00 1.43 0.13 -0.14 118.68 122.10 3eaj s LEU 86 Ca 0.41 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 3eaj s LEU 86 Cb 0.23 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3eaj s LEU 86 CO 0.26 0.13 0.15 -0.76 0.23 0.00 0.00 176.35 176.36 3eaj s LEU 87 N -2.64 4.17 -0.39 1.79 1.43 0.43 -1.41 118.68 122.05 3eaj s LEU 87 Ca 0.27 0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 3eaj s LEU 87 Cb -0.11 -2.11 0.03 0.00 0.03 0.00 0.00 46.19 44.04 3eaj s LEU 87 CO 0.19 0.13 0.24 -0.13 0.23 0.00 0.00 176.35 177.00 3eaj s ARG 88 N 0.67 2.83 -0.37 1.70 0.52 -0.00 -2.46 118.95 121.84 3eaj s ARG 88 Ca 0.08 -1.13 -0.10 0.00 -0.52 0.00 0.00 55.73 54.07 3eaj s ARG 88 Cb -0.12 -3.81 0.03 0.00 0.52 0.00 0.00 34.95 31.57 3eaj s ARG 88 CO 0.01 -0.76 0.19 -0.51 0.02 0.00 0.00 175.30 174.25 3eaj s LEU 89 N 1.57 4.63 0.43 2.53 1.43 -0.38 -2.03 118.68 126.85 3eaj s LEU 89 Ca 0.03 -1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 51.87 3eaj s LEU 89 Cb -0.20 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 3eaj s LEU 89 CO 0.07 -0.37 1.24 -0.54 0.23 0.00 0.00 176.35 176.97 3eaj s LYS 90 N 1.52 3.87 0.12 1.70 -0.14 -0.70 -0.51 119.74 125.60 3eaj s LYS 90 Ca 0.01 1.98 0.05 0.00 -1.36 0.00 0.00 55.97 56.65 3eaj s LYS 90 Cb -0.19 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 3eaj s LYS 90 CO 0.06 -0.52 -0.12 0.14 -0.76 0.00 0.00 175.35 174.16 3eaj s VAL 91 N -1.37 1.15 0.15 3.17 -7.23 -0.53 -1.05 120.40 114.68 3eaj s VAL 91 Ca 0.60 -1.78 -0.16 0.00 -1.81 0.00 0.00 61.98 58.82 3eaj s VAL 91 Cb -0.34 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.06 3eaj s VAL 91 CO 0.42 -0.55 1.79 -2.24 -0.31 0.00 0.00 175.10 174.21 3eaj h ASP 92 N 3.34 0.32 -3.49 4.85 2.03 -1.70 -3.43 116.42 118.35 3eaj h ASP 92 Ca -0.38 0.01 -0.53 0.00 -0.73 0.00 0.00 57.03 55.40 3eaj h ASP 92 Cb 1.19 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 39.60 3eaj h ASP 92 CO 0.55 0.23 0.27 -0.89 -1.03 0.00 0.00 179.24 178.37 3eaj s THR 93 N -6.16 4.65 -0.03 1.15 2.01 -1.26 -5.04 115.64 110.97 3eaj s THR 93 Ca -0.13 1.87 -0.16 0.00 0.31 0.00 0.00 61.69 63.57 3eaj s THR 93 Cb 0.11 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 3eaj s THR 93 CO 0.72 0.32 0.45 -0.55 -0.69 0.00 0.00 174.62 174.86 3eaj s SER 94 N 0.12 6.81 -0.16 3.53 0.15 -1.26 -4.44 113.70 118.44 3eaj s SER 94 Ca 0.44 0.96 -0.29 0.00 0.70 0.00 0.00 55.95 57.75 3eaj s SER 94 Cb -0.22 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 3eaj s SER 94 CO 0.26 0.22 1.43 0.21 1.20 0.00 0.00 173.24 176.56 3eaj s ASN 95 N -0.54 6.74 0.33 5.45 2.47 0.02 -4.92 114.94 124.49 3eaj s ASN 95 Ca 0.25 1.75 0.05 0.00 0.42 0.00 0.00 52.86 55.34 3eaj s ASN 95 Cb -0.17 -2.54 0.58 0.00 -1.45 0.00 0.00 41.25 37.68 3eaj s ASN 95 CO 0.13 -0.93 1.83 1.55 -3.72 0.00 0.00 177.10 175.96 3eaj h PRO 96 N 9.11 0.41 -0.84 0.43 0.13 -1.94 -2.79 132.00 136.51 3eaj h PRO 96 Ca -0.31 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 3eaj h PRO 96 Cb 1.13 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3eaj h PRO 96 CO 0.98 0.55 0.01 1.63 -0.23 0.00 0.00 178.00 180.94 3eaj n LYS 97 N -4.21 2.50 -2.09 0.86 5.02 -1.26 -4.92 118.16 114.07 3eaj n LYS 97 Ca 0.00 -1.24 -0.42 0.00 -2.02 0.00 0.00 58.31 54.63 3eaj n LYS 97 Cb 0.32 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 3eaj n LYS 97 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3eaj s THR 98 N -1.68 3.44 0.46 -0.18 2.01 -1.05 -4.86 115.64 113.78 3eaj s THR 98 Ca 0.21 0.82 -0.02 0.00 0.31 0.00 0.00 61.69 63.01 3eaj s THR 98 Cb 0.16 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 3eaj s THR 98 CO 0.06 -0.01 0.71 -2.16 -0.69 0.00 0.00 174.62 172.53 3eaj s PRO 99 N 2.70 3.31 0.10 4.92 0.05 -1.26 -5.01 135.00 139.80 3eaj s PRO 99 Ca 0.69 -0.15 -0.31 0.00 0.05 0.00 0.00 61.00 61.28 3eaj s PRO 99 Cb -0.35 -2.48 -0.10 0.00 0.05 0.00 0.00 34.50 31.63 3eaj s PRO 99 CO 0.29 -0.21 1.83 0.15 0.05 0.00 0.00 177.00 179.11 3eaj s LYS 100 N -4.63 4.14 0.33 4.56 1.02 -1.26 -4.93 119.74 118.98 3eaj s LYS 100 Ca 0.47 2.56 0.04 0.00 0.02 0.00 0.00 55.97 59.06 3eaj s LYS 100 Cb -0.10 -3.68 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 3eaj s LYS 100 CO 0.41 -0.85 0.33 1.52 -0.92 0.00 0.00 175.35 175.84 3eaj s TYR 101 N 3.00 1.53 0.16 3.18 -0.85 -1.26 -1.16 117.35 121.95 3eaj s TYR 101 Ca 0.81 -1.55 -0.25 0.00 -0.52 0.00 0.00 57.07 55.57 3eaj s TYR 101 Cb -0.45 -0.53 0.06 0.00 0.38 0.00 0.00 41.96 41.43 3eaj s TYR 101 CO 0.37 -0.94 0.95 -1.59 -1.52 0.00 0.00 175.55 172.82 3eaj s LYS 102 N -3.36 1.23 -0.13 -3.49 -2.85 0.60 -4.84 119.74 106.88 3eaj s LYS 102 Ca 0.38 -0.68 -0.01 0.00 -1.00 0.00 0.00 55.97 54.65 3eaj s LYS 102 Cb 0.02 0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 36.19 3eaj s LYS 102 CO 0.25 -0.56 -0.10 -0.06 0.10 0.00 0.00 175.35 174.97 3eaj s PHE 103 N -3.28 2.87 0.08 1.78 2.99 -1.26 -1.33 117.98 119.83 3eaj s PHE 103 Ca 0.12 -0.53 0.04 0.00 0.00 0.00 0.00 56.93 56.57 3eaj s PHE 103 Cb -0.02 -1.87 -0.03 0.00 0.00 0.00 0.00 43.02 41.10 3eaj s PHE 103 CO 0.03 -0.15 -0.12 0.14 -0.00 0.00 0.00 175.22 175.12 3eaj s VAL 104 N 0.32 0.99 -0.32 -0.44 -7.23 -0.31 -4.94 120.40 108.47 3eaj s VAL 104 Ca -0.08 -1.42 -0.08 0.00 -1.81 0.00 0.00 61.98 58.58 3eaj s VAL 104 Cb -0.15 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.65 3eaj s VAL 104 CO 0.05 -0.38 0.12 -0.60 -0.31 0.00 0.00 175.10 173.98 3eaj s ARG 105 N -2.16 3.06 0.59 4.82 3.52 -1.26 -4.13 118.95 123.39 3eaj s ARG 105 Ca 0.00 -0.89 -0.16 0.00 -0.13 0.00 0.00 55.73 54.55 3eaj s ARG 105 Cb -0.07 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3eaj s ARG 105 CO 0.01 -0.50 1.06 -1.50 -0.81 0.00 0.00 175.30 173.56 3eaj s ILE 106 N 1.53 3.78 0.27 4.11 2.07 -1.26 -5.07 121.20 126.63 3eaj s ILE 106 Ca 0.02 0.86 0.01 0.00 -1.41 0.00 0.00 60.65 60.14 3eaj s ILE 106 Cb -0.18 -3.38 -0.04 0.00 0.13 0.00 0.00 42.46 39.00 3eaj s ILE 106 CO 0.04 -0.48 0.44 -1.10 -1.91 0.00 0.00 174.94 171.93 3eaj s GLN 107 N -4.01 3.48 0.22 3.50 -1.52 -1.26 -5.05 119.66 115.02 3eaj s GLN 107 Ca 0.64 -0.46 -0.30 0.00 -1.95 0.00 0.00 55.36 53.29 3eaj s GLN 107 Cb -0.16 -2.78 -0.10 0.00 -0.22 0.00 0.00 33.01 29.74 3eaj s GLN 107 CO 0.36 0.31 1.46 -2.14 -0.25 0.00 0.00 175.29 175.03 3eaj s PRO 108 N -3.90 4.26 0.00 2.91 0.02 -1.26 -2.19 135.00 134.84 3eaj s PRO 108 Ca 0.38 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.69 3eaj s PRO 108 Cb -0.10 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3eaj s PRO 108 CO 0.32 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 3eaj n GLY 109 N 2.63 2.75 3.77 0.52 0.00 0.26 -4.94 105.19 110.18 3eaj n GLY 109 Ca 0.09 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3eaj n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3eaj s GLN 110 N 0.00 2.73 0.30 1.61 -0.21 -0.93 -4.66 119.66 118.49 3eaj s GLN 110 Ca 0.00 1.43 0.11 0.00 0.02 0.00 0.00 55.36 56.91 3eaj s GLN 110 Cb 0.00 -1.94 -0.05 0.00 1.00 0.00 0.00 33.01 32.02 3eaj s GLN 110 CO 0.00 -1.31 -0.13 0.95 -2.12 0.00 0.00 175.29 172.68 3eaj s THR 111 N -2.31 2.58 0.24 -0.19 -4.23 -1.26 -1.26 115.64 109.21 3eaj s THR 111 Ca 0.68 -2.25 -0.22 0.00 -1.18 0.00 0.00 61.69 58.72 3eaj s THR 111 Cb -0.21 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.16 3eaj s THR 111 CO 0.42 -0.33 0.75 0.72 -0.54 0.00 0.00 174.62 175.64 3eaj s PHE 112 N -2.51 -0.23 -0.08 3.99 -0.12 -0.39 -4.95 117.98 113.69 3eaj s PHE 112 Ca 0.31 -0.17 -0.08 0.00 -0.05 0.00 0.00 56.93 56.94 3eaj s PHE 112 Cb -0.03 0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 3eaj s PHE 112 CO 0.16 -1.10 0.20 -1.12 -0.05 0.00 0.00 175.22 173.31 3eaj s SER 113 N -2.89 6.47 -0.16 1.98 0.01 -0.62 -1.57 113.70 116.92 3eaj s SER 113 Ca 0.10 0.56 -0.00 0.00 1.31 0.00 0.00 55.95 57.91 3eaj s SER 113 Cb -0.04 -2.10 -0.00 0.00 0.21 0.00 0.00 66.02 64.08 3eaj s SER 113 CO 0.03 0.38 -0.14 -0.69 0.41 0.00 0.00 173.24 173.23 3eaj s VAL 114 N -1.07 2.77 -0.55 3.43 1.01 -0.18 -0.57 120.40 125.24 3eaj s VAL 114 Ca 0.18 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 3eaj s VAL 114 Cb -0.13 -2.18 0.09 0.00 0.00 0.00 0.00 36.38 34.16 3eaj s VAL 114 CO 0.07 0.51 0.62 -0.22 0.00 0.00 0.00 175.10 176.08 3eaj s LEU 115 N 0.82 5.41 -0.26 3.92 2.96 -0.90 -2.28 118.68 128.36 3eaj s LEU 115 Ca -0.05 -1.33 -0.29 0.00 -0.22 0.00 0.00 54.13 52.24 3eaj s LEU 115 Cb -0.15 -2.31 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 3eaj s LEU 115 CO 0.00 -0.97 1.40 0.00 -1.32 0.00 0.00 176.35 175.46 3eaj s ALA 116 N 2.41 3.37 0.20 5.97 0.00 -0.21 -3.85 121.76 129.64 3eaj s ALA 116 Ca 0.10 0.26 0.11 0.00 0.00 0.00 0.00 51.96 52.43 3eaj s ALA 116 Cb -0.24 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 3eaj s ALA 116 CO 0.07 -1.76 -0.20 0.00 0.00 0.00 0.00 175.76 173.87 3eaj s TYR 118 N -1.74 0.77 -1.39 0.00 2.02 -0.80 -4.08 117.35 112.13 3eaj s TYR 118 Ca 0.22 -0.22 -0.08 0.00 -0.37 0.00 0.00 57.07 56.62 3eaj s TYR 118 Cb -0.08 -0.70 0.03 0.00 -0.40 0.00 0.00 41.96 40.82 3eaj s TYR 118 CO 0.11 -0.22 1.01 0.09 -1.57 0.00 0.00 175.55 174.98 3eaj n ASN 119 N 4.19 -4.42 0.00 2.29 3.02 -1.26 -1.43 115.26 117.66 3eaj n ASN 119 Ca -0.22 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3eaj n ASN 119 Cb 0.51 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 3eaj n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3eaj n GLY 120 N -1.71 1.23 3.19 7.41 0.00 -1.26 -4.66 105.19 109.39 3eaj n GLY 120 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3eaj n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3eaj s SER 121 N -3.05 5.08 -0.08 1.61 0.15 -0.52 -4.36 113.70 112.54 3eaj s SER 121 Ca 0.00 -1.39 -0.37 0.00 0.70 0.00 0.00 55.95 54.89 3eaj s SER 121 Cb 0.00 -1.78 -0.15 0.00 -1.71 0.00 0.00 66.02 62.38 3eaj s SER 121 CO 0.00 -0.34 1.64 -2.65 1.20 0.00 0.00 173.24 173.10 3eaj n PRO 122 N 4.67 1.50 -0.02 5.44 -0.02 -1.26 -1.91 135.00 143.39 3eaj n PRO 122 Ca -0.11 0.55 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 3eaj n PRO 122 Cb 0.43 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3eaj n PRO 122 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3eaj n SER 123 N 4.61 2.29 -3.62 2.55 2.88 0.25 -4.93 113.62 117.65 3eaj n SER 123 Ca 0.22 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.75 3eaj n SER 123 Cb 0.20 1.25 -0.02 0.00 -0.75 0.00 0.00 64.21 64.89 3eaj n SER 123 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3eaj s GLY 124 N -3.75 -0.29 -0.03 0.46 0.00 -1.04 -5.00 107.32 97.67 3eaj s GLY 124 Ca -0.05 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.28 3eaj s GLY 124 CO 0.48 0.50 0.00 0.54 0.00 0.00 0.00 173.10 174.62 3eaj s VAL 125 N -2.12 0.20 0.18 1.40 0.11 -1.26 -1.04 120.40 117.87 3eaj s VAL 125 Ca 0.12 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.28 3eaj s VAL 125 Cb 0.01 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 3eaj s VAL 125 CO -0.04 0.16 0.03 -0.72 -3.33 0.00 0.00 175.10 171.21 3eaj s TYR 126 N 1.16 1.23 0.03 1.54 -0.85 -0.96 -4.91 117.35 114.58 3eaj s TYR 126 Ca -0.08 -1.09 0.01 0.00 -0.52 0.00 0.00 57.07 55.40 3eaj s TYR 126 Cb -0.13 -0.70 -0.04 0.00 0.38 0.00 0.00 41.96 41.47 3eaj s TYR 126 CO -0.02 -0.29 0.07 -1.14 -1.52 0.00 0.00 175.55 172.65 3eaj s GLN 127 N -3.96 2.95 0.30 -3.49 0.74 -1.26 -1.01 119.66 113.92 3eaj s GLN 127 Ca 0.27 -0.58 -0.10 0.00 0.05 0.00 0.00 55.36 55.00 3eaj s GLN 127 Cb 0.07 -2.78 0.01 0.00 1.10 0.00 0.00 33.01 31.40 3eaj s GLN 127 CO 0.06 0.61 0.53 0.00 -0.55 0.00 0.00 175.29 175.94 3eaj s ALA 129 N -3.49 2.17 -0.29 0.00 0.00 -1.26 -1.27 121.76 117.62 3eaj s ALA 129 Ca 0.24 -1.24 -0.28 0.00 0.00 0.00 0.00 51.96 50.67 3eaj s ALA 129 Cb -0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3eaj s ALA 129 CO 0.13 0.51 1.92 1.41 0.00 0.00 0.00 175.76 179.72 3eaj s MET 130 N -1.25 3.31 0.71 0.00 0.00 -0.39 -4.50 119.30 117.17 3eaj s MET 130 Ca 0.11 1.63 -0.15 0.00 0.00 0.00 0.00 55.69 57.28 3eaj s MET 130 Cb -0.10 -4.24 0.03 0.00 0.00 0.00 0.00 34.83 30.52 3eaj s MET 130 CO 0.02 -1.89 1.20 1.03 0.00 0.00 0.00 175.02 175.38 3eaj s ARG 131 N 5.80 2.25 0.36 4.11 1.81 0.16 -0.57 118.95 132.86 3eaj s ARG 131 Ca 0.86 1.75 0.11 0.00 -1.72 0.00 0.00 55.73 56.73 3eaj s ARG 131 Cb -0.26 -1.85 0.89 0.00 -0.45 0.00 0.00 34.95 33.29 3eaj s ARG 131 CO 0.34 -1.75 1.81 -1.35 -0.68 0.00 0.00 175.30 173.67 3eaj h PRO 132 N -0.17 0.59 -0.61 3.54 0.11 -1.87 0.22 132.00 133.82 3eaj h PRO 132 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3eaj h PRO 132 Cb 1.29 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3eaj h PRO 132 CO 0.50 0.39 0.00 0.27 -0.21 0.00 0.00 178.00 178.96 3eaj n ASN 133 N -4.64 1.20 -1.26 -2.05 0.23 -1.26 -4.87 115.26 102.61 3eaj n ASN 133 Ca 0.22 -2.08 -0.16 0.00 -0.53 0.00 0.00 54.58 52.03 3eaj n ASN 133 Cb 0.63 -0.34 -0.06 0.00 -2.08 0.00 0.00 39.78 37.93 3eaj n ASN 133 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3eaj n HIS 134 N -0.03 -0.08 -3.73 -2.53 8.25 0.78 -4.78 115.22 113.10 3eaj n HIS 134 Ca 0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.26 3eaj n HIS 134 Cb 0.26 -2.78 -0.02 0.00 1.12 0.00 0.00 29.99 28.57 3eaj n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3eaj s THR 135 N -2.60 2.20 -0.02 1.59 -4.23 -1.26 -4.48 115.64 106.85 3eaj s THR 135 Ca 0.00 -1.43 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 3eaj s THR 135 Cb 0.00 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 3eaj s THR 135 CO 0.00 0.00 -0.18 0.27 -0.54 0.00 0.00 174.62 174.17 3eaj s ILE 136 N -2.61 1.40 -1.27 2.99 -4.36 -0.54 -0.67 121.20 116.14 3eaj s ILE 136 Ca 0.43 -0.74 -0.15 0.00 -0.26 0.00 0.00 60.65 59.93 3eaj s ILE 136 Cb -0.02 -1.17 0.13 0.00 1.25 0.00 0.00 42.46 42.65 3eaj s ILE 136 CO 0.25 0.40 1.64 0.29 0.24 0.00 0.00 174.94 177.76 3eaj n LYS 137 N 2.75 3.31 -1.10 0.37 5.02 -1.26 -1.42 118.16 125.82 3eaj n LYS 137 Ca -0.15 -3.54 0.00 0.00 -2.02 0.00 0.00 58.31 52.59 3eaj n LYS 137 Cb 0.54 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.36 3eaj n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3eaj n GLY 138 N 4.34 2.39 2.84 0.72 0.00 -1.26 -4.99 105.19 109.22 3eaj n GLY 138 Ca 0.42 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 3eaj n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3eaj s SER 139 N -0.98 4.26 -0.16 1.61 0.15 -1.26 -4.97 113.70 112.35 3eaj s SER 139 Ca 0.00 -1.78 -0.01 0.00 0.70 0.00 0.00 55.95 54.86 3eaj s SER 139 Cb 0.00 -1.13 0.05 0.00 -1.71 0.00 0.00 66.02 63.22 3eaj s SER 139 CO 0.00 -0.39 -0.02 -0.36 1.20 0.00 0.00 173.24 173.67 3eaj s PHE 140 N 1.37 1.35 0.52 3.44 0.08 -1.26 -4.97 117.98 118.51 3eaj s PHE 140 Ca 0.09 -0.89 0.07 0.00 0.12 0.00 0.00 56.93 56.33 3eaj s PHE 140 Cb -0.18 -1.15 0.05 0.00 -0.57 0.00 0.00 43.02 41.17 3eaj s PHE 140 CO -0.18 -0.57 0.72 -0.51 -0.10 0.00 0.00 175.22 174.57 3eaj s LEU 141 N 1.75 3.34 0.29 -0.37 1.02 -1.26 -4.99 118.68 118.46 3eaj s LEU 141 Ca 0.01 -0.55 -0.30 0.00 0.02 0.00 0.00 54.13 53.31 3eaj s LEU 141 Cb -0.15 -2.21 -0.12 0.00 0.02 0.00 0.00 46.19 43.73 3eaj s LEU 141 CO -0.07 -1.13 1.54 0.59 0.02 0.00 0.00 176.35 177.30 3eaj n ASN 142 N -2.14 3.58 0.00 2.29 4.13 -1.26 -1.60 115.26 120.26 3eaj n ASN 142 Ca 0.12 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.53 3eaj n ASN 142 Cb 0.60 -1.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.29 3eaj n ASN 142 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3eaj n GLY 143 N 1.97 0.47 0.10 7.41 0.00 -1.26 -4.93 105.19 108.96 3eaj n GLY 143 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3eaj n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3eaj n SER 144 N 0.00 0.57 -4.73 1.61 3.41 -0.63 -4.10 113.62 109.76 3eaj n SER 144 Ca 0.00 -0.42 -0.39 0.00 -0.26 0.00 0.00 58.87 57.79 3eaj n SER 144 Cb 0.00 0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3eaj n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3eaj n GLY 146 N 0.77 1.09 3.76 0.00 0.00 -0.05 -1.60 105.19 109.17 3eaj n GLY 146 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3eaj n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3eaj s SER 147 N -2.91 5.96 0.14 1.61 0.01 -0.85 -4.35 113.70 113.32 3eaj s SER 147 Ca 0.00 2.54 0.08 0.00 1.31 0.00 0.00 55.95 59.89 3eaj s SER 147 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3eaj s SER 147 CO 0.00 -1.08 -0.12 0.68 0.41 0.00 0.00 173.24 173.13 3eaj s VAL 148 N -1.39 3.13 0.06 3.43 -7.23 -1.25 -1.12 120.40 116.03 3eaj s VAL 148 Ca 0.64 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 3eaj s VAL 148 Cb -0.35 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 3eaj s VAL 148 CO 0.43 0.00 -0.02 -0.83 -0.31 0.00 0.00 175.10 174.38 3eaj s GLY 149 N -2.48 1.88 0.11 2.32 0.00 0.59 -2.12 107.32 107.63 3eaj s GLY 149 Ca 0.22 -1.08 -0.25 0.00 0.00 0.00 0.00 44.72 43.61 3eaj s GLY 149 CO 0.13 -1.02 0.79 -0.11 0.00 0.00 0.00 173.10 172.90 3eaj s PHE 150 N -1.21 -0.34 0.17 1.90 -0.12 0.27 -1.43 117.98 117.21 3eaj s PHE 150 Ca 0.23 0.11 0.04 0.00 -0.05 0.00 0.00 56.93 57.26 3eaj s PHE 150 Cb -0.12 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.82 3eaj s PHE 150 CO 0.15 -0.79 -0.07 -0.80 -0.05 0.00 0.00 175.22 173.66 3eaj s ASN 151 N -2.71 1.78 -0.13 1.98 0.01 0.42 -1.60 114.94 114.69 3eaj s ASN 151 Ca 0.06 -1.07 -0.00 0.00 -0.71 0.00 0.00 52.86 51.14 3eaj s ASN 151 Cb -0.02 0.00 0.02 0.00 0.41 0.00 0.00 41.25 41.67 3eaj s ASN 151 CO -0.06 -0.39 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.40 3eaj s ILE 152 N -3.37 1.29 -0.37 0.60 1.01 -1.26 0.89 121.20 120.00 3eaj s ILE 152 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3eaj s ILE 152 Cb 0.03 -1.25 0.10 0.00 0.01 0.00 0.00 42.46 41.35 3eaj s ILE 152 CO 0.03 0.41 0.12 -1.81 0.00 0.00 0.00 174.94 173.69 3eaj s ASP 153 N 1.59 5.02 0.49 3.58 -0.00 -0.88 -4.95 116.67 121.52 3eaj s ASP 153 Ca 0.05 -2.00 0.00 0.00 -0.00 0.00 0.00 52.55 50.59 3eaj s ASP 153 Cb -0.13 -1.74 0.00 0.00 -0.00 0.00 0.00 42.92 41.06 3eaj s ASP 153 CO -0.09 -0.45 0.00 -1.22 -0.00 0.00 0.00 175.17 173.41 3eaj n TYR 154 N 4.46 0.00 -0.10 4.23 4.02 -1.26 -3.34 117.16 125.17 3eaj n TYR 154 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3eaj n TYR 154 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 3eaj n TYR 154 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3eaj n ASP 155 N 6.93 1.86 -4.40 7.72 5.75 -1.26 -5.02 116.55 128.13 3eaj n ASP 155 Ca 0.00 -1.95 -0.37 0.00 -0.01 0.00 0.00 54.79 52.46 3eaj n ASP 155 Cb 0.00 -0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 39.95 3eaj n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3eaj s VAL 157 N 1.56 4.66 -0.46 0.00 1.01 -0.31 -2.08 120.40 124.77 3eaj s VAL 157 Ca 0.05 1.99 -0.13 0.00 0.00 0.00 0.00 61.98 63.89 3eaj s VAL 157 Cb -0.16 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 32.03 3eaj s VAL 157 CO 0.02 -0.16 0.36 -0.44 0.00 0.00 0.00 175.10 174.88 3eaj s SER 158 N 1.25 5.94 0.24 3.32 0.01 0.26 -0.29 113.70 124.43 3eaj s SER 158 Ca 0.45 -1.51 -0.30 0.00 1.31 0.00 0.00 55.95 55.90 3eaj s SER 158 Cb -0.16 -2.11 -0.09 0.00 0.21 0.00 0.00 66.02 63.88 3eaj s SER 158 CO 0.08 -0.65 1.00 -0.36 0.41 0.00 0.00 173.24 173.72 3eaj s PHE 159 N 1.54 3.82 0.00 2.43 0.08 -0.44 -0.44 117.98 124.97 3eaj s PHE 159 Ca 0.04 1.82 0.00 0.00 0.12 0.00 0.00 56.93 58.91 3eaj s PHE 159 Cb -0.25 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 3eaj s PHE 159 CO 0.04 0.05 0.00 0.00 -0.10 0.00 0.00 175.22 175.21 3eaj s TYR 161 N -0.28 -0.18 -0.02 0.00 5.04 -1.05 -3.93 117.35 116.94 3eaj s TYR 161 Ca 0.00 0.43 0.02 0.00 -2.44 0.00 0.00 57.07 55.08 3eaj s TYR 161 Cb 0.00 0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.37 3eaj s TYR 161 CO 0.00 -0.08 -0.08 1.41 -1.34 0.00 0.00 175.55 175.46 3eaj s MET 162 N 0.09 0.80 0.14 4.97 -2.45 0.52 -0.30 119.30 123.08 3eaj s MET 162 Ca -0.00 -0.27 -0.28 0.00 -1.25 0.00 0.00 55.69 53.89 3eaj s MET 162 Cb -0.01 -0.77 -0.07 0.00 1.25 0.00 0.00 34.83 35.23 3eaj s MET 162 CO 0.00 0.11 0.89 -1.58 1.05 0.00 0.00 175.02 175.50 3eaj s HIS 163 N 0.12 3.86 0.00 4.11 2.46 -0.27 -1.06 115.29 124.51 3eaj s HIS 163 Ca -0.02 1.75 0.00 0.00 0.47 0.00 0.00 55.06 57.26 3eaj s HIS 163 Cb -0.07 -2.95 0.00 0.00 -0.13 0.00 0.00 32.58 29.43 3eaj s HIS 163 CO 0.00 0.33 0.00 0.72 -2.47 0.00 0.00 174.74 173.32 3eaj n HIS 164 N 2.28 0.00 -3.57 3.88 8.25 -0.87 -0.87 115.22 124.32 3eaj n HIS 164 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 3eaj n HIS 164 Cb 0.49 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 3eaj n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3eaj s MET 165 N -1.93 0.91 -0.00 -0.41 0.23 -0.71 -4.92 119.30 112.48 3eaj s MET 165 Ca 0.00 -0.40 -0.13 0.00 -1.03 0.00 0.00 55.69 54.13 3eaj s MET 165 Cb 0.00 0.38 -0.06 0.00 -1.53 0.00 0.00 34.83 33.63 3eaj s MET 165 CO 0.00 -0.41 0.38 -2.00 -2.03 0.00 0.00 175.02 170.96 3eaj s GLU 166 N -3.15 3.84 0.35 3.16 2.12 -1.26 -0.99 118.70 122.77 3eaj s GLU 166 Ca 0.07 0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.78 3eaj s GLU 166 Cb -0.01 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 3eaj s GLU 166 CO -0.06 0.68 0.50 -0.51 -0.54 0.00 0.00 175.26 175.34 3eaj s LEU 167 N -1.19 3.93 0.44 2.70 1.02 0.21 -4.95 118.68 120.85 3eaj s LEU 167 Ca 0.24 -0.08 0.26 0.00 0.02 0.00 0.00 54.13 54.56 3eaj s LEU 167 Cb -0.16 -2.84 1.28 0.00 0.02 0.00 0.00 46.19 44.50 3eaj s LEU 167 CO 0.13 -0.46 1.75 -0.65 0.02 0.00 0.00 176.35 177.14 3eaj h PRO 168 N 0.82 0.23 -0.01 1.29 0.11 -1.85 -0.78 132.00 131.81 3eaj h PRO 168 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3eaj h PRO 168 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3eaj h PRO 168 CO 0.54 0.15 -0.14 0.25 -0.21 0.00 0.00 178.00 178.60 3eaj n THR 169 N -4.52 0.00 -0.46 -1.15 -2.24 -1.26 -4.88 114.28 99.77 3eaj n THR 169 Ca 0.28 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 3eaj n THR 169 Cb 1.09 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3eaj n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3eaj n GLY 170 N 1.27 0.77 3.57 3.38 0.00 -0.30 -5.08 105.19 108.82 3eaj n GLY 170 Ca 0.15 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 3eaj n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3eaj s VAL 171 N -2.00 3.25 0.14 1.61 0.11 -1.25 -4.74 120.40 117.52 3eaj s VAL 171 Ca 0.00 -1.54 0.09 0.00 -2.93 0.00 0.00 61.98 57.60 3eaj s VAL 171 Cb 0.00 -2.59 -0.04 0.00 -1.53 0.00 0.00 36.38 32.22 3eaj s VAL 171 CO 0.00 -0.04 -0.16 -1.00 -3.33 0.00 0.00 175.10 170.57 3eaj s HIS 172 N -1.55 2.56 0.03 1.54 0.09 -0.51 -0.62 115.29 116.83 3eaj s HIS 172 Ca 0.24 -0.25 0.04 0.00 -0.00 0.00 0.00 55.06 55.09 3eaj s HIS 172 Cb -0.09 -1.32 -0.02 0.00 -0.00 0.00 0.00 32.58 31.14 3eaj s HIS 172 CO 0.15 0.43 -0.12 0.00 -0.00 0.00 0.00 174.74 175.20 3eaj s ALA 173 N -1.32 0.96 0.00 -1.40 0.00 -0.16 -1.47 121.76 118.37 3eaj s ALA 173 Ca 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3eaj s ALA 173 Cb -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3eaj s ALA 173 CO 0.12 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.45 3eaj n GLY 174 N 2.03 2.25 3.18 0.00 0.00 -1.26 -1.73 105.19 109.66 3eaj n GLY 174 Ca -0.18 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 3eaj n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3eaj s THR 175 N -2.68 0.33 0.57 2.61 -4.23 -0.22 -1.80 115.64 110.21 3eaj s THR 175 Ca 0.00 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 58.48 3eaj s THR 175 Cb 0.00 -2.06 0.14 0.00 1.34 0.00 0.00 72.50 71.92 3eaj s THR 175 CO 0.00 -0.48 0.53 -0.90 -0.54 0.00 0.00 174.62 173.22 3eaj n ASP 176 N -0.15 -1.38 -0.77 3.99 5.68 -0.25 -0.36 116.55 123.31 3eaj n ASP 176 Ca -0.06 -0.85 0.04 0.00 -0.50 0.00 0.00 54.79 53.42 3eaj n ASP 176 Cb 0.63 -0.47 0.15 0.00 -1.14 0.00 0.00 41.12 40.29 3eaj n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3eaj n LEU 177 N 0.00 2.18 -0.64 -2.12 7.99 -1.26 -2.51 117.00 120.64 3eaj n LEU 177 Ca 0.07 -1.10 0.08 0.00 -0.01 0.00 0.00 56.01 55.06 3eaj n LEU 177 Cb 0.28 -0.35 0.06 0.00 -0.11 0.00 0.00 43.42 43.30 3eaj n LEU 177 CO 0.19 0.41 0.49 -0.62 -1.51 0.00 0.00 177.39 176.36 3eaj n GLU 178 N 0.35 1.37 -0.61 3.23 1.02 -1.26 -4.96 120.64 119.79 3eaj n GLU 178 Ca 0.11 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 3eaj n GLU 178 Cb 0.41 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3eaj n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3eaj n GLY 179 N 0.97 0.79 3.70 0.62 0.00 -1.04 -4.26 105.19 105.97 3eaj n GLY 179 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3eaj n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3eaj s LYS 180 N -0.39 4.43 0.55 1.61 2.47 -1.26 -2.23 119.74 124.91 3eaj s LYS 180 Ca 0.00 1.61 -0.20 0.00 -1.56 0.00 0.00 55.97 55.82 3eaj s LYS 180 Cb 0.00 -3.47 -0.05 0.00 -1.46 0.00 0.00 37.83 32.85 3eaj s LYS 180 CO 0.00 -0.28 1.19 -0.06 0.16 0.00 0.00 175.35 176.36 3eaj s PHE 181 N 1.55 2.56 -0.18 4.03 0.40 -1.26 -1.09 117.98 123.99 3eaj s PHE 181 Ca 0.55 1.52 -0.19 0.00 -0.60 0.00 0.00 56.93 58.21 3eaj s PHE 181 Cb -0.25 -3.43 -0.03 0.00 0.51 0.00 0.00 43.02 39.82 3eaj s PHE 181 CO 0.25 -1.93 0.53 0.71 0.70 0.00 0.00 175.22 175.48 3eaj s TYR 182 N -1.61 3.40 0.00 0.36 2.02 -0.75 -4.83 117.35 115.94 3eaj s TYR 182 Ca 0.73 0.82 0.00 0.00 -0.37 0.00 0.00 57.07 58.25 3eaj s TYR 182 Cb -0.29 -2.67 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 3eaj s TYR 182 CO 0.33 -0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.65 3eaj n GLY 183 N 3.76 -2.54 1.15 0.71 0.00 -1.26 -4.44 105.19 102.57 3eaj n GLY 183 Ca -0.05 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 3eaj n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3eaj n PRO 184 N -0.33 2.18 -3.19 1.61 -0.05 -1.26 -4.94 135.00 129.02 3eaj n PRO 184 Ca 0.00 -1.17 -0.28 0.00 -0.05 0.00 0.00 63.50 62.00 3eaj n PRO 184 Cb 0.00 -1.69 -0.03 0.00 -0.05 0.00 0.00 33.50 31.73 3eaj n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3eaj s PHE 185 N -1.54 3.49 0.11 0.54 0.08 -1.26 -5.10 117.98 114.29 3eaj s PHE 185 Ca 0.21 0.70 0.03 0.00 0.12 0.00 0.00 56.93 57.99 3eaj s PHE 185 Cb 0.16 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 3eaj s PHE 185 CO 0.05 0.08 -0.09 0.14 -0.10 0.00 0.00 175.22 175.30 3eaj s VAL 186 N -2.22 0.89 -1.35 -0.44 -7.23 -1.26 -4.85 120.40 103.94 3eaj s VAL 186 Ca 0.45 -1.82 -0.13 0.00 -1.81 0.00 0.00 61.98 58.67 3eaj s VAL 186 Cb -0.10 -1.55 0.10 0.00 0.56 0.00 0.00 36.38 35.38 3eaj s VAL 186 CO 0.32 -0.71 1.97 -0.90 -0.31 0.00 0.00 175.10 175.47 3eaj n ASP 187 N 0.21 4.55 -3.72 4.85 5.68 -1.26 -4.82 116.55 122.04 3eaj n ASP 187 Ca -0.14 -2.95 -0.12 0.00 -0.50 0.00 0.00 54.79 51.08 3eaj n ASP 187 Cb 0.59 -1.61 -0.13 0.00 -1.14 0.00 0.00 41.12 38.84 3eaj n ASP 187 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3eaj s ARG 188 N 2.31 0.23 -1.10 0.11 0.52 -1.26 -4.82 118.95 114.94 3eaj s ARG 188 Ca 0.45 0.59 -0.22 0.00 -0.52 0.00 0.00 55.73 56.03 3eaj s ARG 188 Cb 0.09 -0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.46 3eaj s ARG 188 CO -0.03 -0.17 1.77 -0.65 0.02 0.00 0.00 175.30 176.25 3eaj s GLN 189 N 1.37 3.12 0.00 3.54 -1.52 -0.23 -4.85 119.66 121.09 3eaj s GLN 189 Ca -0.09 -1.12 0.00 0.00 -1.95 0.00 0.00 55.36 52.21 3eaj s GLN 189 Cb -0.10 -5.29 0.00 0.00 -0.22 0.00 0.00 33.01 27.39 3eaj s GLN 189 CO -0.09 -2.99 0.00 0.25 -0.25 0.00 0.00 175.29 172.21 3eaj n THR 190 N 7.27 0.00 -3.37 -0.19 -2.24 -1.26 -4.49 114.28 110.00 3eaj n THR 190 Ca 0.42 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.76 3eaj n THR 190 Cb 0.48 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3eaj n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3eaj n ALA 191 N -3.00 4.20 -3.17 6.98 0.00 -1.26 -4.99 120.51 119.27 3eaj n ALA 191 Ca 0.00 -4.66 -0.33 0.00 0.00 0.00 0.00 53.44 48.45 3eaj n ALA 191 Cb 0.00 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 16.94 3eaj n ALA 191 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3eaj s GLN 192 N -1.34 3.27 0.18 0.00 -2.07 -1.26 -5.13 119.66 113.31 3eaj s GLN 192 Ca 0.31 -0.75 0.10 0.00 -1.82 0.00 0.00 55.36 53.19 3eaj s GLN 192 Cb -0.09 -2.54 -0.04 0.00 -1.09 0.00 0.00 33.01 29.25 3eaj s GLN 192 CO -0.08 0.18 -0.14 0.00 -1.32 0.00 0.00 175.29 173.92 3eaj s ALA 193 N 0.41 2.80 0.16 2.60 0.00 -1.26 -4.64 121.76 121.83 3eaj s ALA 193 Ca -0.13 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.03 3eaj s ALA 193 Cb -0.16 -0.62 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 3eaj s ALA 193 CO 0.06 0.47 1.08 0.00 0.00 0.00 0.00 175.76 177.37 3eaj s ALA 194 N -1.62 3.35 0.93 0.00 0.00 -1.26 -5.05 121.76 118.11 3eaj s ALA 194 Ca 0.23 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 3eaj s ALA 194 Cb -0.09 -3.34 0.15 0.00 0.00 0.00 0.00 23.12 19.84 3eaj s ALA 194 CO 0.13 -0.19 1.09 0.20 0.00 0.00 0.00 175.76 177.00 3eaj s GLY 195 N -0.01 1.60 0.32 0.00 0.00 -1.26 -4.95 107.32 103.02 3eaj s GLY 195 Ca 0.49 -0.20 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 3eaj s GLY 195 CO 0.33 0.33 1.57 -0.51 0.00 0.00 0.00 173.10 174.83 3eaj s THR 196 N -2.97 2.04 0.37 0.90 -4.23 -1.26 -4.88 115.64 105.61 3eaj s THR 196 Ca 0.64 0.03 -0.13 0.00 -1.18 0.00 0.00 61.69 61.05 3eaj s THR 196 Cb -0.18 -3.02 -0.08 0.00 1.34 0.00 0.00 72.50 70.56 3eaj s THR 196 CO 0.57 0.01 0.77 -0.62 -0.54 0.00 0.00 174.62 174.80 3eaj s ASP 197 N 0.30 6.65 0.20 3.99 3.68 -1.26 -4.76 116.67 125.47 3eaj s ASP 197 Ca 0.60 1.23 0.08 0.00 2.13 0.00 0.00 52.55 56.59 3eaj s ASP 197 Cb -0.48 -2.36 -0.05 0.00 -1.45 0.00 0.00 42.92 38.59 3eaj s ASP 197 CO 0.53 -0.32 -0.15 0.42 0.13 0.00 0.00 175.17 175.78 3eaj s THR 198 N -2.20 1.76 -0.02 1.71 -4.23 -1.26 -5.03 115.64 106.37 3eaj s THR 198 Ca 0.53 -2.16 -0.30 0.00 -1.18 0.00 0.00 61.69 58.58 3eaj s THR 198 Cb -0.10 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 3eaj s THR 198 CO 0.25 -0.54 1.04 -0.89 -0.54 0.00 0.00 174.62 173.94 3eaj s THR 199 N -2.79 4.65 -0.86 3.99 2.01 -0.92 -4.61 115.64 117.11 3eaj s THR 199 Ca 0.21 1.91 -0.25 0.00 0.31 0.00 0.00 61.69 63.88 3eaj s THR 199 Cb -0.02 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 3eaj s THR 199 CO 0.07 0.10 1.91 -0.63 -0.69 0.00 0.00 174.62 175.38 3eaj s ILE 200 N 1.36 3.46 0.17 1.82 1.01 -1.26 -1.30 121.20 126.46 3eaj s ILE 200 Ca 0.53 -0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 3eaj s ILE 200 Cb -0.22 -4.05 0.07 0.00 0.01 0.00 0.00 42.46 38.27 3eaj s ILE 200 CO 0.25 -0.99 1.72 0.74 0.00 0.00 0.00 174.94 176.67 3eaj h THR 201 N 7.17 0.77 -0.21 2.92 2.02 -1.93 -1.42 112.91 122.24 3eaj h THR 201 Ca 0.04 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3eaj h THR 201 Cb 1.03 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3eaj h THR 201 CO 1.22 0.04 0.11 0.25 0.37 0.00 0.00 175.52 177.52 3eaj h LEU 202 N 0.22 0.25 -0.26 2.58 5.85 -1.91 -0.32 115.31 121.71 3eaj h LEU 202 Ca 0.21 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.73 3eaj h LEU 202 Cb 0.26 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3eaj h LEU 202 CO -0.27 0.20 -0.54 0.78 -0.34 0.00 0.00 178.44 178.27 3eaj h ASN 203 N 0.29 0.94 0.04 1.25 4.21 -1.52 -2.47 115.58 118.32 3eaj h ASN 203 Ca 0.08 -0.54 -0.00 0.00 1.21 0.00 0.00 56.30 57.04 3eaj h ASN 203 Cb 0.01 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 36.94 3eaj h ASN 203 CO -0.01 1.31 -0.02 0.58 -1.29 0.00 0.00 177.43 178.00 3eaj h VAL 204 N 0.61 0.99 -0.57 2.81 2.07 -0.36 -1.14 116.25 120.66 3eaj h VAL 204 Ca 0.01 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3eaj h VAL 204 Cb 1.16 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 3eaj h VAL 204 CO 0.12 0.02 0.26 -0.07 0.02 0.00 0.00 177.57 177.92 3eaj h LEU 205 N -0.09 0.33 -0.80 2.57 3.38 -1.41 0.11 115.31 119.40 3eaj h LEU 205 Ca -0.01 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.14 3eaj h LEU 205 Cb 0.08 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 3eaj h LEU 205 CO 0.01 0.22 0.39 0.00 0.09 0.00 0.00 178.44 179.15 3eaj h ALA 206 N 1.34 1.16 -0.58 1.53 0.00 -1.18 0.49 119.26 122.02 3eaj h ALA 206 Ca 0.27 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3eaj h ALA 206 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3eaj h ALA 206 CO -0.22 -0.09 0.23 2.35 0.00 0.00 0.00 179.25 181.52 3eaj h TRP 207 N 0.60 0.88 -0.66 0.00 7.01 0.13 -0.93 115.95 122.98 3eaj h TRP 207 Ca 0.42 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.38 3eaj h TRP 207 Cb 0.56 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.32 3eaj h TRP 207 CO -0.11 0.71 0.42 -0.07 -2.79 0.00 0.00 178.44 176.60 3eaj h LEU 208 N 0.80 0.71 -1.03 0.65 3.38 0.72 -0.44 115.31 120.10 3eaj h LEU 208 Ca 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3eaj h LEU 208 Cb 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3eaj h LEU 208 CO -0.02 0.50 0.33 1.88 0.09 0.00 0.00 178.44 181.23 3eaj h TYR 209 N 0.84 1.02 -0.99 1.13 0.05 -0.66 -0.40 116.97 117.96 3eaj h TYR 209 Ca 0.25 -0.05 0.06 0.00 0.05 0.00 0.00 58.73 59.05 3eaj h TYR 209 Cb -0.04 -0.32 -0.07 0.00 1.01 0.00 0.00 36.73 37.32 3eaj h TYR 209 CO -0.04 0.75 0.64 0.00 -1.05 0.00 0.00 178.16 178.46 3eaj h ALA 210 N 1.35 1.37 -0.30 3.88 0.00 -0.19 0.16 119.26 125.53 3eaj h ALA 210 Ca 0.24 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3eaj h ALA 210 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3eaj h ALA 210 CO -0.03 0.43 -0.46 0.00 0.00 0.00 0.00 179.25 179.19 3eaj h ALA 211 N 1.45 0.61 -0.46 0.00 0.00 -0.10 -2.03 119.26 118.72 3eaj h ALA 211 Ca 0.43 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3eaj h ALA 211 Cb 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3eaj h ALA 211 CO -0.17 0.68 0.06 0.28 0.00 0.00 0.00 179.25 180.09 3eaj h VAL 212 N 0.64 1.25 0.00 0.00 2.07 -0.65 0.18 116.25 119.74 3eaj h VAL 212 Ca 0.04 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3eaj h VAL 212 Cb 1.03 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3eaj h VAL 212 CO 0.10 0.33 -0.05 0.40 0.02 0.00 0.00 177.57 178.38 3eaj h ILE 213 N 0.64 0.23 -0.65 4.57 2.04 -0.56 -0.26 117.51 123.52 3eaj h ILE 213 Ca 0.14 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 3eaj h ILE 213 Cb 0.42 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3eaj h ILE 213 CO 0.01 0.04 0.13 0.59 0.00 0.00 0.00 178.15 178.93 3eaj n ASN 214 N -3.31 5.28 -3.27 1.72 3.02 -0.78 -4.96 115.26 112.96 3eaj n ASN 214 Ca -0.02 -3.09 -0.23 0.00 -0.03 0.00 0.00 54.58 51.22 3eaj n ASN 214 Cb 0.20 -0.71 0.05 0.00 -0.61 0.00 0.00 39.78 38.71 3eaj n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3eaj n GLY 215 N 0.22 -0.53 2.76 7.41 0.00 -0.11 -4.95 105.19 109.98 3eaj n GLY 215 Ca 0.34 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 3eaj n GLY 215 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3eaj n ASP 216 N -2.72 3.54 -1.02 1.61 -0.08 0.59 -4.93 116.55 113.54 3eaj n ASP 216 Ca -0.06 -3.30 0.06 0.00 -1.51 0.00 0.00 54.79 49.98 3eaj n ASP 216 Cb 0.59 -0.78 0.26 0.00 2.34 0.00 0.00 41.12 43.54 3eaj n ASP 216 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3eaj n ARG 217 N 1.58 2.88 0.15 -0.67 1.85 -1.26 -4.21 116.66 116.97 3eaj n ARG 217 Ca 0.24 -2.91 0.08 0.00 -1.00 0.00 0.00 57.85 54.26 3eaj n ARG 217 Cb 0.37 -1.88 0.45 0.00 -1.05 0.00 0.00 32.46 30.36 3eaj n ARG 217 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 177.63 174.95 3eaj n TRP 218 N -0.54 0.56 0.97 2.89 4.27 -1.26 -1.95 117.44 122.37 3eaj n TRP 218 Ca 0.24 0.29 0.11 0.00 -3.89 0.00 0.00 57.50 54.26 3eaj n TRP 218 Cb 0.95 -0.89 0.07 0.00 -1.36 0.00 0.00 31.31 30.07 3eaj n TRP 218 CO 0.00 0.00 0.00 1.97 -2.29 0.00 0.00 177.69 177.37 3eaj n PHE 219 N -2.10 0.00 -1.60 -2.67 1.16 -1.26 -4.95 117.46 106.03 3eaj n PHE 219 Ca -0.01 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.26 3eaj n PHE 219 Cb 0.14 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.06 3eaj n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3eaj s LEU 220 N -2.09 3.03 0.00 5.98 1.43 -0.82 -4.74 118.68 121.47 3eaj s LEU 220 Ca 0.24 1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 54.87 3eaj s LEU 220 Cb 0.19 -4.37 0.00 0.00 0.03 0.00 0.00 46.19 42.04 3eaj s LEU 220 CO 0.37 -1.49 0.27 -0.46 0.23 0.00 0.00 176.35 175.27 3eaj n ASN 221 N -3.15 -0.75 0.08 2.29 0.23 -1.26 -5.05 115.26 107.64 3eaj n ASN 221 Ca 0.07 -2.11 0.11 0.00 -0.53 0.00 0.00 54.58 52.12 3eaj n ASN 221 Cb 0.54 1.43 -0.02 0.00 -2.08 0.00 0.00 39.78 39.65 3eaj n ASN 221 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3eaj n ARG 222 N -0.34 0.57 -1.35 -3.83 1.85 -1.26 -4.97 116.66 107.33 3eaj n ARG 222 Ca 0.01 0.06 -0.30 0.00 -1.00 0.00 0.00 57.85 56.62 3eaj n ARG 222 Cb 0.34 -1.75 0.13 0.00 -1.05 0.00 0.00 32.46 30.13 3eaj n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3eaj s PHE 223 N -3.37 2.48 0.19 2.89 0.08 -1.26 -5.09 117.98 113.90 3eaj s PHE 223 Ca -0.01 1.15 0.03 0.00 0.12 0.00 0.00 56.93 58.21 3eaj s PHE 223 Cb 0.11 -3.19 -0.01 0.00 -0.57 0.00 0.00 43.02 39.36 3eaj s PHE 223 CO 0.81 -2.25 0.09 -2.37 -0.10 0.00 0.00 175.22 171.40 3eaj n THR 224 N -3.76 0.00 -3.51 0.64 5.66 -1.26 -4.67 114.28 107.37 3eaj n THR 224 Ca 0.07 -1.18 -0.11 0.00 -3.05 0.00 0.00 64.05 59.78 3eaj n THR 224 Cb 0.56 0.47 -0.04 0.00 -1.55 0.00 0.00 70.33 69.78 3eaj n THR 224 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3eaj s THR 225 N -2.41 0.00 0.61 1.09 -1.32 -1.23 -4.85 115.64 107.53 3eaj s THR 225 Ca 0.13 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.49 3eaj s THR 225 Cb 0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3eaj s THR 225 CO 0.09 0.00 1.03 0.42 -2.21 0.00 0.00 174.62 173.95 3eaj s THR 226 N -2.34 4.62 0.32 5.08 -4.23 -1.26 -4.84 115.64 112.98 3eaj s THR 226 Ca -0.00 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 3eaj s THR 226 Cb -0.01 -3.80 0.24 0.00 1.34 0.00 0.00 72.50 70.28 3eaj s THR 226 CO -0.03 -1.04 1.97 0.25 -0.54 0.00 0.00 174.62 175.22 3eaj h LEU 227 N -0.14 0.80 -0.35 4.79 5.85 -1.98 -1.81 115.31 122.48 3eaj h LEU 227 Ca -0.44 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 3eaj h LEU 227 Cb 1.19 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3eaj h LEU 227 CO 0.61 0.61 -0.03 0.78 -0.34 0.00 0.00 178.44 180.08 3eaj h ASN 228 N 0.93 0.63 0.17 1.25 2.35 -1.95 0.39 115.58 119.35 3eaj h ASN 228 Ca 0.24 -0.33 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 3eaj h ASN 228 Cb -0.04 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3eaj h ASN 228 CO -0.05 0.81 -0.43 0.44 -1.65 0.00 0.00 177.43 176.55 3eaj h ASP 229 N 0.44 0.34 0.61 5.81 3.45 -1.90 -1.68 116.42 123.49 3eaj h ASP 229 Ca 0.09 -0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.37 3eaj h ASP 229 Cb 0.50 -0.10 0.01 0.00 -0.56 0.00 0.00 39.33 39.18 3eaj h ASP 229 CO 0.02 0.74 -0.29 0.15 -1.57 0.00 0.00 179.24 178.29 3eaj h PHE 230 N 0.27 -0.76 -0.78 4.55 3.57 -1.25 -3.23 116.94 119.30 3eaj h PHE 230 Ca 0.02 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.73 3eaj h PHE 230 Cb 0.87 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 3eaj h PHE 230 CO 0.02 -0.45 0.58 -0.91 -2.23 0.00 0.00 178.31 175.32 3eaj h ASN 231 N -1.19 0.00 -0.98 0.41 2.35 -0.86 0.78 115.58 116.10 3eaj h ASN 231 Ca -0.08 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3eaj h ASN 231 Cb 0.65 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 3eaj h ASN 231 CO 0.14 0.00 0.64 -0.07 -1.65 0.00 0.00 177.43 176.49 3eaj h LEU 232 N 0.00 1.05 0.01 1.61 3.38 -1.34 -1.33 115.31 118.69 3eaj h LEU 232 Ca 0.37 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 3eaj h LEU 232 Cb 1.53 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3eaj h LEU 232 CO -0.00 0.69 -0.00 0.58 0.09 0.00 0.00 178.44 179.80 3eaj h VAL 233 N 1.20 1.60 -0.63 1.22 2.07 0.49 -3.27 116.25 118.93 3eaj h VAL 233 Ca 0.41 -1.92 0.13 0.00 0.82 0.00 0.00 66.70 66.14 3eaj h VAL 233 Cb 0.07 2.89 -0.12 0.00 -1.52 0.00 0.00 31.29 32.62 3eaj h VAL 233 CO -0.15 0.49 -0.10 0.00 0.02 0.00 0.00 177.57 177.84 3eaj h ALA 234 N 0.12 0.50 0.00 1.67 0.00 -1.04 -0.39 119.26 120.12 3eaj h ALA 234 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3eaj h ALA 234 Cb 0.81 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3eaj h ALA 234 CO 0.00 -0.42 0.00 -1.33 0.00 0.00 0.00 179.25 177.50 3eaj n MET 235 N -5.38 0.79 -0.03 0.00 2.81 -0.51 -0.26 117.12 114.54 3eaj n MET 235 Ca 0.08 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.87 3eaj n MET 235 Cb 0.35 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.21 3eaj n MET 235 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3eaj n LYS 236 N -1.00 0.65 -0.98 0.03 4.76 -0.18 -4.12 118.16 117.32 3eaj n LYS 236 Ca 0.19 0.26 -0.09 0.00 -2.87 0.00 0.00 58.31 55.80 3eaj n LYS 236 Cb 0.09 -1.76 0.24 0.00 -1.84 0.00 0.00 35.03 31.76 3eaj n LYS 236 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3eaj n TYR 237 N -3.05 2.19 -2.40 2.13 4.01 -0.37 -4.93 117.16 114.74 3eaj n TYR 237 Ca -0.20 -1.44 -0.14 0.00 -0.16 0.00 0.00 57.90 55.96 3eaj n TYR 237 Cb 1.06 -0.68 -0.01 0.00 -0.31 0.00 0.00 39.34 39.40 3eaj n TYR 237 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3eaj n ASN 238 N -0.68 -4.35 -4.82 7.72 5.15 -0.81 -4.88 115.26 112.60 3eaj n ASN 238 Ca 0.43 0.15 -0.35 0.00 -0.60 0.00 0.00 54.58 54.21 3eaj n ASN 238 Cb 1.35 -3.68 -0.06 0.00 -0.53 0.00 0.00 39.78 36.85 3eaj n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3eaj s TYR 239 N -2.70 3.55 0.33 1.20 1.51 0.64 -2.17 117.35 119.72 3eaj s TYR 239 Ca 0.00 1.44 -0.29 0.00 -1.01 0.00 0.00 57.07 57.21 3eaj s TYR 239 Cb 0.00 -2.68 -0.11 0.00 -0.11 0.00 0.00 41.96 39.06 3eaj s TYR 239 CO 0.00 0.21 1.56 -2.00 -1.11 0.00 0.00 175.55 174.20 3eaj s GLU 240 N -2.37 4.10 0.35 -0.62 2.12 -0.42 -4.08 118.70 117.79 3eaj s GLU 240 Ca 0.49 2.60 -0.29 0.00 0.36 0.00 0.00 54.97 58.14 3eaj s GLU 240 Cb -0.15 -2.99 -0.11 0.00 0.26 0.00 0.00 34.13 31.14 3eaj s GLU 240 CO 0.20 -0.61 1.54 -2.30 -0.54 0.00 0.00 175.26 173.55 3eaj n PRO 241 N 1.39 2.72 -3.14 4.30 -0.02 -1.26 -4.56 135.00 134.42 3eaj n PRO 241 Ca 0.05 0.96 -0.39 0.00 -2.02 0.00 0.00 63.50 62.10 3eaj n PRO 241 Cb 0.38 -2.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.09 3eaj n PRO 241 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3eaj s LEU 242 N -1.53 4.27 0.43 2.45 2.96 -1.26 -4.97 118.68 121.03 3eaj s LEU 242 Ca 0.57 1.00 0.08 0.00 -0.22 0.00 0.00 54.13 55.56 3eaj s LEU 242 Cb -0.48 -2.92 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 3eaj s LEU 242 CO 0.58 -0.11 0.48 0.42 -1.32 0.00 0.00 176.35 176.41 3eaj s THR 243 N 0.97 2.75 0.25 3.68 -4.23 -1.26 -4.97 115.64 112.84 3eaj s THR 243 Ca 0.32 -1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 59.60 3eaj s THR 243 Cb -0.16 -2.93 0.19 0.00 1.34 0.00 0.00 72.50 70.93 3eaj s THR 243 CO 0.14 0.00 1.84 -0.61 -0.54 0.00 0.00 174.62 175.45 3eaj h GLN 244 N 0.81 1.11 -0.95 3.99 5.75 -2.01 -2.31 115.11 121.49 3eaj h GLN 244 Ca -0.40 -0.16 0.06 0.00 -0.15 0.00 0.00 58.65 58.00 3eaj h GLN 244 Cb 1.27 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 29.56 3eaj h GLN 244 CO 0.51 0.86 0.61 0.22 -2.65 0.00 0.00 178.83 178.38 3eaj h ASP 245 N 1.10 0.97 0.53 -0.69 3.58 -2.01 -3.10 116.42 116.80 3eaj h ASP 245 Ca 0.27 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 3eaj h ASP 245 Cb 0.13 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 40.99 3eaj h ASP 245 CO -0.03 0.62 -0.25 0.45 -2.88 0.00 0.00 179.24 177.14 3eaj h HIS 246 N 1.11 -0.66 -0.77 0.28 3.86 -1.81 -2.76 115.15 114.40 3eaj h HIS 246 Ca 0.41 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.71 3eaj h HIS 246 Cb 0.16 0.22 -0.12 0.00 1.06 0.00 0.00 27.41 28.73 3eaj h HIS 246 CO -0.01 -0.34 -0.33 0.28 0.86 0.00 0.00 177.93 178.39 3eaj n VAL 247 N -5.32 -0.42 -0.34 2.45 0.31 -1.13 -0.12 118.33 113.76 3eaj n VAL 247 Ca -0.11 1.80 0.02 0.00 -0.01 0.00 0.00 64.34 66.04 3eaj n VAL 247 Cb 0.32 -2.35 0.17 0.00 -0.91 0.00 0.00 33.84 31.07 3eaj n VAL 247 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3eaj h ASP 248 N 0.00 0.93 -0.70 4.52 5.19 -1.44 -1.08 116.42 123.83 3eaj h ASP 248 Ca 0.24 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3eaj h ASP 248 Cb 0.43 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 3eaj h ASP 248 CO -0.75 0.58 0.45 0.40 -3.12 0.00 0.00 179.24 176.80 3eaj h ILE 249 N 1.06 1.19 -0.12 0.35 1.08 -0.24 -0.61 117.51 120.21 3eaj h ILE 249 Ca 0.42 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 3eaj h ILE 249 Cb 0.22 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 3eaj h ILE 249 CO -0.19 0.19 0.00 0.18 -0.69 0.00 0.00 178.15 177.64 3eaj n LEU 250 N -4.41 1.93 0.26 1.44 4.77 -0.42 -4.22 117.00 116.35 3eaj n LEU 250 Ca 0.07 -0.97 -0.11 0.00 -0.03 0.00 0.00 56.01 54.97 3eaj n LEU 250 Cb 0.05 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 3eaj n LEU 250 CO 0.36 0.32 0.32 1.23 -1.33 0.00 0.00 177.39 178.30 3eaj h GLY 251 N 4.83 -0.73 0.90 -0.72 0.00 -1.00 -1.27 103.07 105.08 3eaj h GLY 251 Ca 0.00 0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.73 3eaj h GLY 251 CO 0.10 -0.27 0.42 -2.55 0.00 0.00 0.00 176.54 174.24 3eaj h PRO 252 N -1.04 0.00 0.15 4.80 0.11 -1.80 0.82 132.00 135.05 3eaj h PRO 252 Ca -0.07 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.72 3eaj h PRO 252 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3eaj h PRO 252 CO 0.12 0.00 -1.57 -0.07 -0.21 0.00 0.00 178.00 176.27 3eaj h LEU 253 N 0.00 0.49 -0.29 2.35 3.38 -1.82 -2.82 115.31 116.59 3eaj h LEU 253 Ca 0.22 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3eaj h LEU 253 Cb 1.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3eaj h LEU 253 CO -0.00 1.55 0.13 0.77 0.09 0.00 0.00 178.44 180.98 3eaj h SER 254 N 0.09 0.38 0.07 -0.43 4.64 -0.08 -2.95 113.55 115.28 3eaj h SER 254 Ca -0.26 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 60.92 3eaj h SER 254 Cb 2.05 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 64.02 3eaj h SER 254 CO 0.18 0.42 -0.26 0.00 -0.87 0.00 0.00 176.83 176.29 3eaj h ALA 255 N 0.99 -0.79 0.00 5.18 0.00 -0.97 0.51 119.26 124.17 3eaj h ALA 255 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3eaj h ALA 255 Cb 0.14 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3eaj h ALA 255 CO -0.01 -0.85 0.46 0.37 0.00 0.00 0.00 179.25 179.22 3eaj h GLN 256 N -0.39 0.00 0.00 0.00 4.15 -1.53 -2.54 115.11 114.80 3eaj h GLN 256 Ca -0.01 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 3eaj h GLN 256 Cb 0.38 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3eaj h GLN 256 CO -0.14 0.00 -1.49 0.25 -1.93 0.00 0.00 178.83 175.52 3eaj n THR 257 N -2.73 0.33 0.00 2.39 -2.24 -0.61 -5.00 114.28 106.42 3eaj n THR 257 Ca -0.02 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3eaj n THR 257 Cb 0.50 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3eaj n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3eaj n GLY 258 N 2.30 3.05 3.66 3.38 0.00 0.17 -5.02 105.19 112.72 3eaj n GLY 258 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3eaj n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3eaj s ILE 259 N -2.03 4.38 0.08 -0.61 -1.09 -1.18 -4.96 121.20 115.79 3eaj s ILE 259 Ca 0.00 1.67 -0.31 0.00 -2.23 0.00 0.00 60.65 59.78 3eaj s ILE 259 Cb 0.00 -4.08 -0.07 0.00 -1.58 0.00 0.00 42.46 36.73 3eaj s ILE 259 CO 0.00 -0.15 1.39 0.00 -1.23 0.00 0.00 174.94 174.95 3eaj s ALA 260 N 3.42 3.57 0.28 9.38 0.00 -1.26 -4.40 121.76 132.76 3eaj s ALA 260 Ca 0.52 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 3eaj s ALA 260 Cb -0.20 -3.55 0.64 0.00 0.00 0.00 0.00 23.12 20.01 3eaj s ALA 260 CO 0.12 -0.69 1.46 1.33 0.00 0.00 0.00 175.76 177.98 3eaj n VAL 261 N 4.16 -0.39 0.25 0.00 0.24 -1.26 0.17 118.33 121.50 3eaj n VAL 261 Ca 0.12 2.08 0.14 0.00 -2.04 0.00 0.00 64.34 64.63 3eaj n VAL 261 Cb 0.43 -2.99 0.56 0.00 -1.47 0.00 0.00 33.84 30.37 3eaj n VAL 261 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3eaj h LEU 262 N 0.00 0.00 -0.17 1.34 3.38 -1.91 -0.24 115.31 117.71 3eaj h LEU 262 Ca 0.53 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.33 3eaj h LEU 262 Cb 1.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.79 3eaj h LEU 262 CO -0.90 0.11 -0.59 0.44 0.09 0.00 0.00 178.44 177.59 3eaj h ASP 263 N 0.00 0.81 0.13 -0.43 3.32 0.15 -2.13 116.42 118.27 3eaj h ASP 263 Ca -0.00 -0.61 -0.09 0.00 0.02 0.00 0.00 57.03 56.35 3eaj h ASP 263 Cb 0.63 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3eaj h ASP 263 CO 0.01 1.28 -0.32 -0.03 -1.72 0.00 0.00 179.24 178.46 3eaj h MET 264 N 0.39 0.30 -0.79 3.56 4.05 -0.50 -2.27 114.93 119.67 3eaj h MET 264 Ca -0.03 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.24 3eaj h MET 264 Cb 1.22 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.97 3eaj h MET 264 CO 0.13 0.60 0.37 0.00 0.23 0.00 0.00 176.91 178.23 3eaj h ALA 266 N 1.19 1.25 -0.22 0.00 0.00 -0.91 0.23 119.26 120.80 3eaj h ALA 266 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3eaj h ALA 266 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3eaj h ALA 266 CO -0.03 0.26 -0.40 0.00 0.00 0.00 0.00 179.25 179.08 3eaj h ALA 267 N 1.44 0.35 -0.39 0.00 0.00 -0.87 -2.70 119.26 117.08 3eaj h ALA 267 Ca 0.40 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3eaj h ALA 267 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3eaj h ALA 267 CO -0.20 0.45 0.21 1.25 0.00 0.00 0.00 179.25 180.95 3eaj h LEU 268 N 0.36 0.50 -0.87 0.00 5.85 -0.54 -1.79 115.31 118.81 3eaj h LEU 268 Ca 0.01 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.73 3eaj h LEU 268 Cb 1.00 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 3eaj h LEU 268 CO 0.09 0.46 0.51 0.50 -0.34 0.00 0.00 178.44 179.66 3eaj h LYS 269 N 0.50 0.81 -0.53 1.25 3.64 -0.56 -0.39 116.57 121.29 3eaj h LYS 269 Ca 0.14 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3eaj h LYS 269 Cb 0.08 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3eaj h LYS 269 CO -0.02 0.53 0.27 0.93 -2.27 0.00 0.00 179.45 178.90 3eaj h GLU 270 N 0.83 0.75 -0.26 1.90 5.08 -1.18 -2.06 114.58 119.63 3eaj h GLU 270 Ca 0.43 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3eaj h GLU 270 Cb 0.42 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3eaj h GLU 270 CO -0.26 0.59 0.16 -0.07 -1.00 0.00 0.00 179.01 178.44 3eaj h LEU 271 N 0.70 0.31 -1.29 1.33 3.38 -0.42 0.19 115.31 119.51 3eaj h LEU 271 Ca 0.18 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3eaj h LEU 271 Cb 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3eaj h LEU 271 CO -0.03 0.24 0.50 -0.07 0.09 0.00 0.00 178.44 179.18 3eaj h LEU 272 N 0.34 0.78 0.03 1.67 3.38 -1.02 -1.22 115.31 119.27 3eaj h LEU 272 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3eaj h LEU 272 Cb -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3eaj h LEU 272 CO -0.02 0.53 -0.01 1.56 0.09 0.00 0.00 178.44 180.59 3eaj h GLN 273 N 0.91 -0.04 -0.09 1.13 4.20 -0.85 -3.36 115.11 117.01 3eaj h GLN 273 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3eaj h GLN 273 Cb 0.09 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3eaj h GLN 273 CO -0.09 0.61 0.00 0.09 -0.67 0.00 0.00 178.83 178.77 3eaj n ASN 274 N -4.72 1.49 -0.55 1.46 3.02 0.63 -5.05 115.26 111.54 3eaj n ASN 274 Ca -0.07 -1.58 0.03 0.00 -0.03 0.00 0.00 54.58 52.92 3eaj n ASN 274 Cb 0.32 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 3eaj n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3eaj n GLY 275 N 1.14 -1.68 0.18 7.41 0.00 -0.46 -4.54 105.19 107.24 3eaj n GLY 275 Ca 0.18 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 45.01 3eaj n GLY 275 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3eaj n MET 276 N -1.40 2.32 -4.25 1.61 1.56 -1.26 -4.70 117.12 111.00 3eaj n MET 276 Ca 0.00 -0.43 -0.33 0.00 -0.27 0.00 0.00 57.70 56.67 3eaj n MET 276 Cb 0.09 -1.13 -0.07 0.00 2.15 0.00 0.00 33.22 34.25 3eaj n MET 276 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 3eaj n ASN 277 N -0.61 0.07 0.00 6.12 6.94 -1.26 -1.48 115.26 125.03 3eaj n ASN 277 Ca 0.04 -1.26 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 3eaj n ASN 277 Cb 0.24 -1.76 0.00 0.00 -2.36 0.00 0.00 39.78 35.90 3eaj n ASN 277 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3eaj n GLY 278 N -2.46 3.00 3.79 4.83 0.00 -1.26 -4.99 105.19 108.10 3eaj n GLY 278 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 3eaj n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3eaj s ARG 279 N -0.05 2.37 0.05 1.61 0.52 -0.55 -5.04 118.95 117.86 3eaj s ARG 279 Ca 0.00 0.99 0.07 0.00 -0.52 0.00 0.00 55.73 56.26 3eaj s ARG 279 Cb 0.00 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 3eaj s ARG 279 CO 0.00 -1.51 -0.18 0.95 0.02 0.00 0.00 175.30 174.57 3eaj s THR 280 N -2.99 1.47 -0.13 0.02 -4.23 -1.26 -4.70 115.64 103.82 3eaj s THR 280 Ca 0.60 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3eaj s THR 280 Cb -0.16 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 3eaj s THR 280 CO 0.56 0.07 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.94 3eaj s ILE 281 N -0.90 2.95 -1.55 2.99 1.01 0.56 -4.57 121.20 121.69 3eaj s ILE 281 Ca 0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 3eaj s ILE 281 Cb -0.09 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.16 3eaj s ILE 281 CO 0.02 0.53 0.09 0.18 0.00 0.00 0.00 174.94 175.76 3eaj n LEU 282 N 3.56 -1.13 0.00 2.97 4.77 -1.26 -0.20 117.00 125.70 3eaj n LEU 282 Ca -0.18 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 3eaj n LEU 282 Cb 0.53 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 3eaj n LEU 282 CO 0.30 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3eaj n GLY 283 N -2.43 0.30 3.77 -0.72 0.00 -1.26 -4.96 105.19 99.88 3eaj n GLY 283 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3eaj n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eaj s ALA 284 N -1.80 3.53 -1.51 4.61 0.00 0.72 -5.00 121.76 122.31 3eaj s ALA 284 Ca 0.00 -0.80 0.16 0.00 0.00 0.00 0.00 51.96 51.32 3eaj s ALA 284 Cb 0.00 -1.62 0.55 0.00 0.00 0.00 0.00 23.12 22.05 3eaj s ALA 284 CO 0.00 0.64 1.44 0.00 0.00 0.00 0.00 175.76 177.84 3eaj n ALA 285 N 1.70 2.77 -3.74 0.00 0.00 -1.26 -0.32 120.51 119.66 3eaj n ALA 285 Ca -0.17 -1.16 -0.08 0.00 0.00 0.00 0.00 53.44 52.03 3eaj n ALA 285 Cb 0.54 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 3eaj n ALA 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3eaj s ALA 286 N -1.58 -1.27 0.15 0.00 0.00 -1.26 -4.98 121.76 112.82 3eaj s ALA 286 Ca 0.40 -0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.93 3eaj s ALA 286 Cb 0.24 0.86 -0.07 0.00 0.00 0.00 0.00 23.12 24.15 3eaj s ALA 286 CO 0.22 -0.97 0.86 -0.51 0.00 0.00 0.00 175.76 175.36 3eaj s LEU 287 N -2.88 4.56 -0.28 0.00 1.02 -1.26 -4.91 118.68 114.93 3eaj s LEU 287 Ca 0.09 1.73 -0.14 0.00 0.02 0.00 0.00 54.13 55.83 3eaj s LEU 287 Cb -0.05 -3.44 -0.04 0.00 0.02 0.00 0.00 46.19 42.69 3eaj s LEU 287 CO 0.03 0.10 0.32 -0.70 0.02 0.00 0.00 176.35 176.11 3eaj s GLU 288 N -0.68 3.98 -0.07 1.70 2.56 -1.26 -4.96 118.70 119.97 3eaj s GLU 288 Ca 0.40 -0.08 0.11 0.00 0.00 0.00 0.00 54.97 55.40 3eaj s GLU 288 Cb -0.23 -3.66 0.28 0.00 2.00 0.00 0.00 34.13 32.51 3eaj s GLU 288 CO 0.28 -0.26 1.22 -0.40 -0.56 0.00 0.00 175.26 175.53 3eaj n ASP 289 N 5.26 2.84 -1.07 -1.70 5.75 -1.26 -3.72 116.55 122.64 3eaj n ASP 289 Ca -0.10 -2.43 -0.03 0.00 -0.01 0.00 0.00 54.79 52.22 3eaj n ASP 289 Cb 0.51 -0.28 0.19 0.00 -1.03 0.00 0.00 41.12 40.51 3eaj n ASP 289 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3eaj n GLU 290 N -0.31 1.84 -4.15 0.11 1.02 -1.26 -4.61 120.64 113.27 3eaj n GLU 290 Ca 0.12 -3.26 -0.22 0.00 -0.02 0.00 0.00 57.16 53.77 3eaj n GLU 290 Cb 0.53 -1.79 -0.17 0.00 -0.02 0.00 0.00 31.44 30.00 3eaj n GLU 290 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3eaj s ALA 291 N -3.27 0.87 0.31 0.62 0.00 -1.26 -4.71 121.76 114.31 3eaj s ALA 291 Ca 0.43 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.26 3eaj s ALA 291 Cb 0.40 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3eaj s ALA 291 CO -0.02 -0.10 0.44 0.95 0.00 0.00 0.00 175.76 177.03 3eaj s THR 292 N 1.12 4.46 0.27 0.00 -4.23 -1.26 -4.50 115.64 111.50 3eaj s THR 292 Ca -0.07 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.45 3eaj s THR 292 Cb -0.14 -3.56 0.27 0.00 1.34 0.00 0.00 72.50 70.41 3eaj s THR 292 CO -0.01 -0.22 1.68 -0.65 -0.54 0.00 0.00 174.62 174.88 3eaj h PRO 293 N 0.97 0.30 -0.34 3.99 0.11 -1.89 -0.56 132.00 134.57 3eaj h PRO 293 Ca -0.48 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 3eaj h PRO 293 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3eaj h PRO 293 CO 0.56 0.20 -0.28 0.35 -0.21 0.00 0.00 178.00 178.61 3eaj h PHE 294 N 0.30 0.82 -0.45 0.65 3.57 -1.94 -1.57 116.94 118.32 3eaj h PHE 294 Ca 0.49 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 61.82 3eaj h PHE 294 Cb 0.90 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3eaj h PHE 294 CO -0.22 0.92 0.30 -0.44 -2.23 0.00 0.00 178.31 176.63 3eaj h ASP 295 N 0.61 0.41 0.10 0.41 3.32 -1.53 -1.22 116.42 118.53 3eaj h ASP 295 Ca 0.08 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3eaj h ASP 295 Cb 0.79 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3eaj h ASP 295 CO 0.07 0.28 -0.05 0.58 -1.72 0.00 0.00 179.24 178.40 3eaj h VAL 296 N 0.47 0.00 -0.87 -1.35 2.07 -0.68 -3.28 116.25 112.61 3eaj h VAL 296 Ca 0.19 -0.72 0.22 0.00 0.82 0.00 0.00 66.70 67.21 3eaj h VAL 296 Cb 0.15 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.77 3eaj h VAL 296 CO -0.05 0.00 0.06 0.58 0.02 0.00 0.00 177.57 178.18 3eaj h VAL 297 N -0.86 0.21 0.00 2.57 2.07 -1.37 0.25 116.25 119.13 3eaj h VAL 297 Ca -0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3eaj h VAL 297 Cb 0.11 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3eaj h VAL 297 CO 0.02 0.02 0.05 -1.14 0.02 0.00 0.00 177.57 176.54 3eaj n ARG 298 N -5.38 0.01 0.00 1.57 0.63 -0.46 -1.98 116.66 111.06 3eaj n ARG 298 Ca 0.19 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 3eaj n ARG 298 Cb 0.62 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.94 3eaj n ARG 298 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3eaj n GLN 299 N -1.52 3.71 0.00 -0.14 7.27 0.48 -4.85 117.38 122.33 3eaj n GLN 299 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3eaj n GLN 299 Cb 0.05 -0.33 0.00 0.00 2.41 0.00 0.00 30.24 32.38 3eaj n GLN 299 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3eaj n SER 301 N -0.13 0.29 0.00 0.00 2.88 -0.84 -5.00 113.62 110.83 3eaj n SER 301 Ca 0.00 1.53 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 3eaj n SER 301 Cb 0.05 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 3eaj n SER 301 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42