#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj3 s GLN 3 N 0.00 0.76 -0.17 1.96 0.74 -1.26 -4.99 119.66 116.70 2aj3 s GLN 3 Ca 0.00 -0.93 -0.00 0.00 0.05 0.00 0.00 55.36 54.47 2aj3 s GLN 3 Cb 0.00 -0.69 0.00 0.00 1.10 0.00 0.00 33.01 33.43 2aj3 s GLN 3 CO 0.00 0.14 -0.14 -1.64 -0.55 0.00 0.00 175.29 173.10 2aj3 s MET 4 N -1.81 3.18 -0.23 1.67 -1.94 -1.26 -1.64 119.30 117.27 2aj3 s MET 4 Ca -0.03 -0.75 -0.02 0.00 -1.71 0.00 0.00 55.69 53.18 2aj3 s MET 4 Cb -0.09 -2.68 0.01 0.00 2.01 0.00 0.00 34.83 34.08 2aj3 s MET 4 CO 0.02 -0.09 -0.06 0.99 -0.01 0.00 0.00 175.02 175.87 2aj3 s THR 5 N 1.07 3.02 0.20 2.05 2.01 0.95 -4.47 115.64 120.47 2aj3 s THR 5 Ca -0.00 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.24 2aj3 s THR 5 Cb -0.14 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2aj3 s THR 5 CO -0.04 0.31 0.28 -1.58 -0.69 0.00 0.00 174.62 172.90 2aj3 s GLN 6 N 1.39 3.29 -0.24 4.92 0.74 -1.26 0.42 119.66 128.92 2aj3 s GLN 6 Ca 0.03 -0.75 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 2aj3 s GLN 6 Cb -0.15 -2.84 0.16 0.00 1.10 0.00 0.00 33.01 31.27 2aj3 s GLN 6 CO -0.05 0.47 1.18 -1.54 -0.55 0.00 0.00 175.29 174.81 2aj3 s SER 7 N -3.55 -0.22 0.77 6.67 1.04 -0.58 -4.62 113.70 113.21 2aj3 s SER 7 Ca 0.34 0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.95 2aj3 s SER 7 Cb -0.10 0.25 0.05 0.00 0.10 0.00 0.00 66.02 66.32 2aj3 s SER 7 CO 0.27 -0.17 1.09 -2.16 0.98 0.00 0.00 173.24 173.25 2aj3 s PRO 8 N -0.77 2.34 0.16 4.02 0.04 -1.26 -1.14 135.00 138.39 2aj3 s PRO 8 Ca 0.04 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 2aj3 s PRO 8 Cb -0.02 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.60 2aj3 s PRO 8 CO -0.05 -1.47 1.40 0.77 0.04 0.00 0.00 177.00 177.70 2aj3 h SER 9 N -0.98 0.52 -4.29 6.66 0.02 -1.82 -3.41 113.55 110.25 2aj3 h SER 9 Ca -0.46 -0.35 -0.41 0.00 -0.84 0.00 0.00 61.79 59.73 2aj3 h SER 9 Cb 1.25 -0.15 -0.20 0.00 0.14 0.00 0.00 62.40 63.44 2aj3 h SER 9 CO 0.58 1.11 -0.77 -0.36 -1.14 0.00 0.00 176.83 176.25 2aj3 s PHE 10 N -3.57 1.28 -0.28 3.45 0.08 -1.26 -0.31 117.98 117.37 2aj3 s PHE 10 Ca -0.06 -0.52 -0.16 0.00 0.12 0.00 0.00 56.93 56.31 2aj3 s PHE 10 Cb 0.10 -0.70 0.08 0.00 -0.57 0.00 0.00 43.02 41.93 2aj3 s PHE 10 CO 0.85 0.09 0.68 -1.17 -0.10 0.00 0.00 175.22 175.57 2aj3 s LEU 11 N -2.10 -0.91 0.02 -0.37 2.96 -0.49 -4.92 118.68 112.86 2aj3 s LEU 11 Ca 0.03 1.49 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 2aj3 s LEU 11 Cb -0.07 2.35 -0.04 0.00 0.50 0.00 0.00 46.19 48.93 2aj3 s LEU 11 CO 0.02 -0.24 0.03 -0.44 -1.32 0.00 0.00 176.35 174.40 2aj3 s SER 12 N 1.60 5.27 -0.18 3.68 0.01 -1.26 -0.01 113.70 122.81 2aj3 s SER 12 Ca -0.10 0.00 -0.31 0.00 1.31 0.00 0.00 55.95 56.85 2aj3 s SER 12 Cb -0.05 -1.40 0.14 0.00 0.21 0.00 0.00 66.02 64.93 2aj3 s SER 12 CO -0.19 0.25 1.13 0.00 0.41 0.00 0.00 173.24 174.85 2aj3 s ALA 13 N -1.17 -2.01 0.70 1.44 0.00 -0.88 -4.82 121.76 115.03 2aj3 s ALA 13 Ca 0.22 1.61 -0.05 0.00 0.00 0.00 0.00 51.96 53.74 2aj3 s ALA 13 Cb -0.12 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.43 2aj3 s ALA 13 CO 0.13 -0.40 1.00 -1.12 0.00 0.00 0.00 175.76 175.37 2aj3 s SER 14 N -1.50 4.67 0.83 0.00 0.01 -1.26 -1.61 113.70 114.83 2aj3 s SER 14 Ca 0.05 0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.44 2aj3 s SER 14 Cb -0.01 -0.83 0.09 0.00 0.21 0.00 0.00 66.02 65.48 2aj3 s SER 14 CO -0.04 -1.67 1.10 -0.69 0.41 0.00 0.00 173.24 172.36 2aj3 s VAL 15 N -3.21 2.97 0.00 3.43 1.01 -1.26 -2.89 120.40 120.45 2aj3 s VAL 15 Ca 0.62 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2aj3 s VAL 15 Cb -0.09 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2aj3 s VAL 15 CO 0.44 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2aj3 n GLY 16 N -0.93 0.52 3.65 4.51 0.00 -0.10 -4.75 105.19 108.09 2aj3 n GLY 16 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2aj3 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aj3 s ASP 17 N -2.39 1.94 -0.09 1.61 1.11 -1.14 -4.04 116.67 113.67 2aj3 s ASP 17 Ca 0.00 0.92 0.04 0.00 0.18 0.00 0.00 52.55 53.69 2aj3 s ASP 17 Cb 0.00 -1.40 -0.01 0.00 1.07 0.00 0.00 42.92 42.58 2aj3 s ASP 17 CO 0.00 -3.53 -0.21 -0.13 1.18 0.00 0.00 175.17 172.48 2aj3 s ARG 18 N -5.18 2.94 0.02 8.23 0.52 -1.26 -0.15 118.95 124.08 2aj3 s ARG 18 Ca 0.68 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 2aj3 s ARG 18 Cb -0.15 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 2aj3 s ARG 18 CO 0.57 0.27 -0.06 0.08 0.02 0.00 0.00 175.30 176.18 2aj3 s VAL 19 N 0.13 0.38 -0.05 3.52 1.01 -0.63 -4.96 120.40 119.80 2aj3 s VAL 19 Ca -0.11 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2aj3 s VAL 19 Cb -0.16 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2aj3 s VAL 19 CO 0.06 -0.24 -0.09 -0.44 0.00 0.00 0.00 175.10 174.40 2aj3 s SER 20 N -1.03 1.32 -0.06 3.32 0.01 -1.26 -0.95 113.70 115.04 2aj3 s SER 20 Ca -0.07 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.01 2aj3 s SER 20 Cb -0.07 -0.56 -0.02 0.00 0.21 0.00 0.00 66.02 65.58 2aj3 s SER 20 CO -0.00 0.01 -0.14 -0.63 0.41 0.00 0.00 173.24 172.89 2aj3 s ILE 21 N 0.63 3.06 0.16 1.44 1.01 -0.33 -4.79 121.20 122.37 2aj3 s ILE 21 Ca -0.11 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 59.91 2aj3 s ILE 21 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2aj3 s ILE 21 CO 0.02 0.58 -0.07 0.42 0.00 0.00 0.00 174.94 175.88 2aj3 s THR 22 N -0.54 3.37 -0.03 2.92 -4.23 -0.29 -1.19 115.64 115.64 2aj3 s THR 22 Ca 0.07 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 2aj3 s THR 22 Cb -0.12 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.09 2aj3 s THR 22 CO 0.01 -0.05 -0.06 0.00 -0.54 0.00 0.00 174.62 173.98 2aj3 s ARG 24 N 0.55 2.26 -0.09 0.00 3.52 0.17 -0.76 118.95 124.61 2aj3 s ARG 24 Ca -0.08 -0.91 -0.00 0.00 -0.13 0.00 0.00 55.73 54.61 2aj3 s ARG 24 Cb -0.11 -2.09 -0.03 0.00 -1.56 0.00 0.00 34.95 31.16 2aj3 s ARG 24 CO 0.00 0.51 -0.07 0.00 -0.81 0.00 0.00 175.30 174.93 2aj3 s ALA 25 N -0.48 2.95 -0.71 6.12 0.00 0.21 -0.03 121.76 129.81 2aj3 s ALA 25 Ca 0.06 -0.88 0.23 0.00 0.00 0.00 0.00 51.96 51.37 2aj3 s ALA 25 Cb -0.11 -1.29 0.90 0.00 0.00 0.00 0.00 23.12 22.62 2aj3 s ALA 25 CO 0.00 0.47 1.71 -1.13 0.00 0.00 0.00 175.76 176.82 2aj3 n SER 26 N 2.60 0.49 -3.97 0.00 3.41 -0.65 -4.74 113.62 110.75 2aj3 n SER 26 Ca -0.18 0.59 -0.11 0.00 -0.26 0.00 0.00 58.87 58.91 2aj3 n SER 26 Cb 0.53 -0.71 -0.12 0.00 -0.26 0.00 0.00 64.21 63.65 2aj3 n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2aj3 s GLN 27 N -3.16 0.31 -0.01 4.33 -0.21 -1.26 -4.96 119.66 114.71 2aj3 s GLN 27 Ca 0.08 -0.47 -0.34 0.00 0.02 0.00 0.00 55.36 54.65 2aj3 s GLN 27 Cb 0.11 -0.07 -0.12 0.00 1.00 0.00 0.00 33.01 33.93 2aj3 s GLN 27 CO 0.44 0.00 1.78 -3.47 -2.12 0.00 0.00 175.29 171.92 2aj3 n ASP 28 N 2.04 3.35 -0.26 5.90 -0.08 -1.26 -4.68 116.55 121.55 2aj3 n ASP 28 Ca -0.20 1.01 0.07 0.00 -1.51 0.00 0.00 54.79 54.16 2aj3 n ASP 28 Cb 0.56 -1.39 0.11 0.00 2.34 0.00 0.00 41.12 42.74 2aj3 n ASP 28 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2aj3 n ILE 29 N 4.59 1.40 0.00 5.18 -5.35 0.16 -5.00 119.36 120.35 2aj3 n ILE 29 Ca 0.21 -1.76 0.00 0.00 -0.27 0.00 0.00 62.75 60.92 2aj3 n ILE 29 Cb 0.29 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 2aj3 n ILE 29 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2aj3 n GLN 30 N -1.01 0.00 -0.43 6.28 3.00 -1.25 -0.64 117.38 123.32 2aj3 n GLN 30 Ca 0.12 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 2aj3 n GLN 30 Cb 0.67 0.00 0.18 0.00 0.00 0.00 0.00 30.24 31.09 2aj3 n GLN 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2aj3 n LYS 31 N 12.24 1.44 -2.18 -1.09 5.02 -1.26 -0.10 118.16 132.23 2aj3 n LYS 31 Ca 0.00 -3.01 -0.42 0.00 -2.02 0.00 0.00 58.31 52.85 2aj3 n LYS 31 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 2aj3 n LYS 31 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2aj3 n PHE 32 N -1.20 3.35 -3.68 2.13 3.72 0.18 -3.12 117.46 118.85 2aj3 n PHE 32 Ca 0.18 -2.89 -0.14 0.00 -0.05 0.00 0.00 57.45 54.54 2aj3 n PHE 32 Cb 0.68 -2.20 -0.08 0.00 -0.94 0.00 0.00 39.48 36.93 2aj3 n PHE 32 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2aj3 s LEU 33 N 0.97 0.02 0.09 4.37 0.20 -1.26 -1.01 118.68 122.06 2aj3 s LEU 33 Ca 0.43 0.87 0.02 0.00 0.69 0.00 0.00 54.13 56.14 2aj3 s LEU 33 Cb 0.10 1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 47.65 2aj3 s LEU 33 CO -0.02 -0.28 -0.07 0.00 -0.29 0.00 0.00 176.35 175.68 2aj3 s ALA 34 N -0.16 0.91 -0.09 5.97 0.00 0.78 -1.47 121.76 127.70 2aj3 s ALA 34 Ca -0.04 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2aj3 s ALA 34 Cb -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2aj3 s ALA 34 CO 0.03 -0.17 -0.11 -1.58 0.00 0.00 0.00 175.76 173.93 2aj3 s TRP 35 N -3.04 2.83 0.10 0.00 0.52 -0.51 -0.69 118.94 118.16 2aj3 s TRP 35 Ca 0.07 -0.25 0.09 0.00 0.02 0.00 0.00 56.10 56.03 2aj3 s TRP 35 Cb 0.01 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 2aj3 s TRP 35 CO -0.03 0.10 -0.24 0.71 0.02 0.00 0.00 176.95 177.51 2aj3 s TYR 36 N -0.35 2.03 -0.14 -1.98 1.51 0.85 -1.17 117.35 118.10 2aj3 s TYR 36 Ca 0.04 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2aj3 s TYR 36 Cb -0.12 -1.12 -0.01 0.00 -0.11 0.00 0.00 41.96 40.59 2aj3 s TYR 36 CO 0.02 0.24 -0.13 -1.14 -1.11 0.00 0.00 175.55 173.43 2aj3 s GLN 37 N -1.84 3.36 -0.25 -0.62 0.74 0.45 -1.57 119.66 119.94 2aj3 s GLN 37 Ca 0.10 -0.69 0.01 0.00 0.05 0.00 0.00 55.36 54.83 2aj3 s GLN 37 Cb -0.10 -2.65 0.05 0.00 1.10 0.00 0.00 33.01 31.40 2aj3 s GLN 37 CO 0.04 0.16 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.34 2aj3 s LEU 38 N 0.48 3.29 -0.18 3.68 1.02 0.59 -0.44 118.68 127.13 2aj3 s LEU 38 Ca -0.09 -1.17 -0.07 0.00 0.02 0.00 0.00 54.13 52.82 2aj3 s LEU 38 Cb -0.16 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 2aj3 s LEU 38 CO 0.04 -0.16 0.04 -0.89 0.02 0.00 0.00 176.35 175.40 2aj3 s THR 39 N 1.20 4.52 0.10 5.49 2.01 -1.26 -2.48 115.64 125.22 2aj3 s THR 39 Ca -0.05 -0.13 -0.35 0.00 0.31 0.00 0.00 61.69 61.47 2aj3 s THR 39 Cb -0.18 -3.04 -0.17 0.00 0.01 0.00 0.00 72.50 69.12 2aj3 s THR 39 CO -0.05 0.45 1.12 -2.65 -0.69 0.00 0.00 174.62 172.80 2aj3 n PRO 40 N 3.70 0.70 0.00 4.92 -0.02 -1.26 -0.85 135.00 142.20 2aj3 n PRO 40 Ca -0.17 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2aj3 n PRO 40 Cb 0.52 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2aj3 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aj3 n GLY 41 N 2.00 2.52 3.92 -1.23 0.00 -1.26 -4.98 105.19 106.16 2aj3 n GLY 41 Ca 0.18 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2aj3 n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aj3 s ASP 42 N 0.17 5.29 0.35 1.61 1.01 -0.03 -5.06 116.67 120.01 2aj3 s ASP 42 Ca 0.00 0.62 -0.22 0.00 0.71 0.00 0.00 52.55 53.66 2aj3 s ASP 42 Cb 0.00 -1.47 -0.10 0.00 1.01 0.00 0.00 42.92 42.36 2aj3 s ASP 42 CO 0.00 -1.28 0.89 0.00 0.21 0.00 0.00 175.17 174.99 2aj3 s ALA 43 N -3.10 3.19 0.52 5.23 0.00 -1.26 -4.68 121.76 121.67 2aj3 s ALA 43 Ca 0.56 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 2aj3 s ALA 43 Cb -0.11 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2aj3 s ALA 43 CO 0.45 0.20 1.06 -2.30 0.00 0.00 0.00 175.76 175.18 2aj3 n PRO 44 N 0.02 1.26 -5.02 0.00 -0.02 -1.26 -4.71 135.00 125.27 2aj3 n PRO 44 Ca 0.03 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.66 2aj3 n PRO 44 Cb 0.52 -2.21 -0.17 0.00 -0.02 0.00 0.00 33.50 31.63 2aj3 n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2aj3 s LYS 45 N -2.48 3.09 0.20 -0.52 -0.14 0.42 -4.96 119.74 115.34 2aj3 s LYS 45 Ca 0.70 -0.85 -0.30 0.00 -1.36 0.00 0.00 55.97 54.16 2aj3 s LYS 45 Cb -0.47 -2.38 -0.08 0.00 -1.68 0.00 0.00 37.83 33.22 2aj3 s LYS 45 CO 0.52 0.13 1.19 -1.17 -0.76 0.00 0.00 175.35 175.26 2aj3 s LEU 46 N 0.47 4.46 -0.04 3.17 2.96 -1.26 -0.41 118.68 128.02 2aj3 s LEU 46 Ca -0.15 2.26 -0.01 0.00 -0.22 0.00 0.00 54.13 56.01 2aj3 s LEU 46 Cb -0.17 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.89 2aj3 s LEU 46 CO 0.06 -0.36 -0.05 0.18 -1.32 0.00 0.00 176.35 174.86 2aj3 n LEU 47 N 2.32 1.45 -3.79 -0.68 4.77 -0.31 -4.79 117.00 115.96 2aj3 n LEU 47 Ca 0.04 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 2aj3 n LEU 47 Cb 0.45 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 2aj3 n LEU 47 CO 0.56 0.29 -0.09 -0.32 -1.33 0.00 0.00 177.39 176.50 2aj3 s MET 48 N -2.08 0.32 0.08 3.23 0.00 -1.13 -1.25 119.30 118.47 2aj3 s MET 48 Ca -0.06 0.27 0.03 0.00 0.00 0.00 0.00 55.69 55.93 2aj3 s MET 48 Cb 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 34.83 34.97 2aj3 s MET 48 CO 0.08 -0.05 -0.09 1.52 0.00 0.00 0.00 175.02 176.49 2aj3 s TYR 49 N -0.04 0.95 -1.26 4.11 1.13 -0.17 -1.42 117.35 120.66 2aj3 s TYR 49 Ca -0.02 -0.66 -0.08 0.00 -1.41 0.00 0.00 57.07 54.91 2aj3 s TYR 49 Cb -0.02 -0.53 0.01 0.00 -1.10 0.00 0.00 41.96 40.31 2aj3 s TYR 49 CO 0.01 -0.04 1.00 0.43 -2.51 0.00 0.00 175.55 174.44 2aj3 n SER 50 N 0.69 -5.95 0.00 -0.18 7.64 -1.09 -1.26 113.62 113.46 2aj3 n SER 50 Ca -0.17 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2aj3 n SER 50 Cb 0.57 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 2aj3 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aj3 n ALA 51 N -4.58 0.00 -0.22 -0.43 0.00 -0.54 -4.07 120.51 110.66 2aj3 n ALA 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2aj3 n ALA 51 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2aj3 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2aj3 n SER 52 N 1.45 1.13 -4.59 0.00 3.41 -1.24 -3.48 113.62 110.30 2aj3 n SER 52 Ca 0.00 -1.35 -0.41 0.00 -0.26 0.00 0.00 58.87 56.85 2aj3 n SER 52 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2aj3 n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aj3 s THR 53 N -0.35 4.95 0.18 6.66 2.01 -0.39 -4.46 115.64 124.24 2aj3 s THR 53 Ca 0.00 0.79 -0.31 0.00 0.31 0.00 0.00 61.69 62.48 2aj3 s THR 53 Cb 0.00 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 2aj3 s THR 53 CO 0.00 -0.14 1.46 -0.22 -0.69 0.00 0.00 174.62 175.03 2aj3 s LEU 54 N 2.57 4.38 0.35 4.42 0.20 -1.26 -1.00 118.68 128.33 2aj3 s LEU 54 Ca 0.24 2.53 -0.27 0.00 0.69 0.00 0.00 54.13 57.32 2aj3 s LEU 54 Cb -0.15 -3.60 -0.09 0.00 -0.43 0.00 0.00 46.19 41.92 2aj3 s LEU 54 CO 0.12 -0.71 1.15 -1.58 -0.29 0.00 0.00 176.35 175.04 2aj3 s GLN 55 N 0.56 4.30 0.39 1.98 2.00 -0.38 -4.91 119.66 123.60 2aj3 s GLN 55 Ca 0.64 1.85 -0.27 0.00 -2.00 0.00 0.00 55.36 55.57 2aj3 s GLN 55 Cb -0.41 -2.89 -0.11 0.00 0.80 0.00 0.00 33.01 30.41 2aj3 s GLN 55 CO 0.35 -0.11 1.42 -1.13 -0.50 0.00 0.00 175.29 175.32 2aj3 n SER 56 N 0.53 3.38 0.00 6.67 3.41 -1.26 -1.84 113.62 124.51 2aj3 n SER 56 Ca 0.02 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 2aj3 n SER 56 Cb 0.46 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2aj3 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aj3 n GLY 57 N 0.57 2.98 3.68 5.00 0.00 -1.26 -5.03 105.19 111.14 2aj3 n GLY 57 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2aj3 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aj3 s VAL 58 N -2.18 4.88 0.58 1.61 1.01 -0.77 -5.01 120.40 120.53 2aj3 s VAL 58 Ca 0.00 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.52 2aj3 s VAL 58 Cb 0.00 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2aj3 s VAL 58 CO 0.00 0.06 0.48 -0.81 0.00 0.00 0.00 175.10 174.83 2aj3 n PRO 59 N 4.94 0.46 0.02 2.72 -0.04 -1.26 -4.85 135.00 136.99 2aj3 n PRO 59 Ca 0.05 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.75 2aj3 n PRO 59 Cb 0.49 -1.67 0.27 0.00 -0.04 0.00 0.00 33.50 32.55 2aj3 n PRO 59 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2aj3 n SER 60 N 0.55 0.09 0.00 3.54 3.41 -1.26 -2.76 113.62 117.20 2aj3 n SER 60 Ca 0.11 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 2aj3 n SER 60 Cb 0.48 -0.54 0.34 0.00 -0.26 0.00 0.00 64.21 64.22 2aj3 n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2aj3 n ARG 61 N -1.60 0.15 -4.06 4.33 1.85 -1.26 -4.59 116.66 111.48 2aj3 n ARG 61 Ca 0.02 0.18 -0.35 0.00 -1.00 0.00 0.00 57.85 56.71 2aj3 n ARG 61 Cb 0.13 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.95 2aj3 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2aj3 s PHE 62 N -2.67 3.25 0.01 2.89 0.40 -1.11 -0.65 117.98 120.10 2aj3 s PHE 62 Ca 0.12 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.54 2aj3 s PHE 62 Cb 0.09 -2.03 -0.01 0.00 0.51 0.00 0.00 43.02 41.58 2aj3 s PHE 62 CO 0.22 0.22 -0.03 -1.54 0.70 0.00 0.00 175.22 174.78 2aj3 s SER 63 N 0.14 0.33 0.03 1.36 1.04 -0.09 -4.95 113.70 111.57 2aj3 s SER 63 Ca 0.04 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.27 2aj3 s SER 63 Cb -0.12 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 2aj3 s SER 63 CO 0.01 -0.12 -0.19 -0.83 0.98 0.00 0.00 173.24 173.08 2aj3 s GLY 64 N -0.78 1.54 0.04 7.32 0.00 -1.26 -0.07 107.32 114.12 2aj3 s GLY 64 Ca -0.07 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.37 2aj3 s GLY 64 CO -0.00 -1.07 0.21 -0.45 0.00 0.00 0.00 173.10 171.79 2aj3 s SER 65 N -1.34 0.02 0.00 1.64 0.15 0.37 -4.27 113.70 110.28 2aj3 s SER 65 Ca 0.14 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2aj3 s SER 65 Cb -0.10 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2aj3 s SER 65 CO 0.04 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2aj3 n GLY 66 N 0.61 2.97 3.54 9.45 0.00 -1.26 -0.64 105.19 119.87 2aj3 n GLY 66 Ca -0.18 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 2aj3 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aj3 s SER 67 N 0.00 -0.53 0.00 1.61 0.15 -1.20 -4.79 113.70 108.94 2aj3 s SER 67 Ca 0.00 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2aj3 s SER 67 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2aj3 s SER 67 CO 0.00 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2aj3 n GLY 68 N 0.82 1.85 0.00 9.45 0.00 0.85 -3.95 105.19 114.20 2aj3 n GLY 68 Ca -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2aj3 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aj3 n THR 69 N 0.00 0.00 -4.09 2.61 -2.24 -1.26 -0.66 114.28 108.63 2aj3 n THR 69 Ca 0.00 -0.22 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 2aj3 n THR 69 Cb 0.00 0.76 -0.16 0.00 -2.10 0.00 0.00 70.33 68.83 2aj3 n THR 69 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2aj3 s GLU 70 N -0.94 2.78 0.10 -0.78 2.12 -1.25 -0.62 118.70 120.10 2aj3 s GLU 70 Ca 0.00 -0.82 0.09 0.00 0.36 0.00 0.00 54.97 54.60 2aj3 s GLU 70 Cb 0.00 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.85 2aj3 s GLU 70 CO 0.00 -0.25 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.18 2aj3 s PHE 71 N 1.31 1.94 -0.02 5.30 0.40 0.06 -3.24 117.98 123.74 2aj3 s PHE 71 Ca 0.04 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2aj3 s PHE 71 Cb -0.14 -1.08 0.01 0.00 0.51 0.00 0.00 43.02 42.33 2aj3 s PHE 71 CO -0.12 0.22 0.04 0.99 0.70 0.00 0.00 175.22 177.05 2aj3 s THR 72 N -1.07 -0.02 -0.15 0.64 2.01 0.19 -0.62 115.64 116.62 2aj3 s THR 72 Ca 0.09 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 2aj3 s THR 72 Cb -0.10 -0.07 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 2aj3 s THR 72 CO 0.04 0.03 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.67 2aj3 s LEU 73 N 0.34 2.84 -0.05 4.42 2.96 -0.33 -0.48 118.68 128.38 2aj3 s LEU 73 Ca -0.03 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2aj3 s LEU 73 Cb -0.04 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2aj3 s LEU 73 CO -0.01 0.14 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.04 2aj3 s THR 74 N 0.48 1.93 -0.25 3.68 2.01 0.90 -1.19 115.64 123.21 2aj3 s THR 74 Ca -0.08 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 60.92 2aj3 s THR 74 Cb -0.15 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.77 2aj3 s THR 74 CO 0.04 0.54 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.79 2aj3 s ILE 75 N -0.22 2.48 -0.69 1.82 1.01 -0.13 -0.91 121.20 124.57 2aj3 s ILE 75 Ca -0.01 -1.30 -0.18 0.00 0.00 0.00 0.00 60.65 59.15 2aj3 s ILE 75 Cb -0.13 -2.33 0.12 0.00 0.01 0.00 0.00 42.46 40.14 2aj3 s ILE 75 CO 0.03 0.12 0.79 -0.44 0.00 0.00 0.00 174.94 175.44 2aj3 s SER 76 N 1.22 6.34 0.00 3.58 0.01 0.18 -1.61 113.70 123.42 2aj3 s SER 76 Ca -0.03 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.52 2aj3 s SER 76 Cb -0.18 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2aj3 s SER 76 CO -0.06 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.16 2aj3 n GLY 77 N 5.13 -1.75 3.68 3.44 0.00 0.78 -4.83 105.19 111.64 2aj3 n GLY 77 Ca -0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 2aj3 n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aj3 s LEU 78 N 0.00 2.30 0.20 0.99 1.43 0.62 -4.62 118.68 119.60 2aj3 s LEU 78 Ca 0.00 1.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 2aj3 s LEU 78 Cb 0.00 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 42.07 2aj3 s LEU 78 CO 0.00 -2.91 0.06 -1.58 0.23 0.00 0.00 176.35 172.15 2aj3 s GLN 79 N -4.78 1.21 0.23 1.70 2.00 -1.26 -0.93 119.66 117.84 2aj3 s GLN 79 Ca 0.65 -1.62 -0.06 0.00 -2.00 0.00 0.00 55.36 52.33 2aj3 s GLN 79 Cb -0.20 -0.12 0.37 0.00 0.80 0.00 0.00 33.01 33.85 2aj3 s GLN 79 CO 0.58 -0.24 1.79 -1.35 -0.50 0.00 0.00 175.29 175.57 2aj3 h PRO 80 N 2.59 0.65 0.00 1.67 0.11 -2.00 -1.40 132.00 133.62 2aj3 h PRO 80 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2aj3 h PRO 80 Cb 1.23 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2aj3 h PRO 80 CO 0.60 0.43 0.00 0.39 -0.21 0.00 0.00 178.00 179.21 2aj3 n GLU 81 N -4.82 0.07 0.02 1.05 4.71 -1.26 -2.99 120.64 117.41 2aj3 n GLU 81 Ca 0.12 0.30 0.12 0.00 -0.01 0.00 0.00 57.16 57.69 2aj3 n GLU 81 Cb 0.28 -1.62 0.52 0.00 -1.01 0.00 0.00 31.44 29.61 2aj3 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2aj3 n ASP 82 N -1.75 0.15 -4.59 1.62 8.00 -0.53 -4.67 116.55 114.79 2aj3 n ASP 82 Ca 0.03 0.52 -0.43 0.00 0.71 0.00 0.00 54.79 55.62 2aj3 n ASP 82 Cb 0.20 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.71 2aj3 n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2aj3 s PHE 83 N -3.03 2.97 0.00 1.24 0.40 -1.16 -4.89 117.98 113.51 2aj3 s PHE 83 Ca 0.11 0.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 2aj3 s PHE 83 Cb 0.15 -3.91 0.00 0.00 0.51 0.00 0.00 43.02 39.78 2aj3 s PHE 83 CO 0.47 -1.01 0.00 0.00 0.70 0.00 0.00 175.22 175.39 2aj3 n ALA 84 N 7.11 0.00 -2.70 5.36 0.00 -1.10 -4.98 120.51 124.20 2aj3 n ALA 84 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 2aj3 n ALA 84 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 2aj3 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2aj3 s THR 85 N -2.58 3.60 -0.04 0.00 2.01 -1.04 -0.68 115.64 116.91 2aj3 s THR 85 Ca 0.00 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.57 2aj3 s THR 85 Cb 0.00 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 2aj3 s THR 85 CO 0.00 0.57 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.94 2aj3 s TYR 86 N -0.45 2.40 0.04 4.92 1.51 -0.83 -0.30 117.35 124.65 2aj3 s TYR 86 Ca 0.06 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.63 2aj3 s TYR 86 Cb -0.12 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 2aj3 s TYR 86 CO 0.02 -0.10 -0.14 0.71 -1.11 0.00 0.00 175.55 174.93 2aj3 s TYR 87 N -0.43 1.24 0.22 2.71 1.51 -0.61 -1.58 117.35 120.42 2aj3 s TYR 87 Ca 0.04 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 55.82 2aj3 s TYR 87 Cb -0.12 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 2aj3 s TYR 87 CO 0.01 0.04 0.06 0.00 -1.11 0.00 0.00 175.55 174.55 2aj3 s GLN 89 N -3.39 0.37 0.11 0.00 0.74 0.13 0.36 119.66 117.98 2aj3 s GLN 89 Ca 0.30 0.45 -0.05 0.00 0.05 0.00 0.00 55.36 56.11 2aj3 s GLN 89 Cb -0.08 0.17 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 2aj3 s GLN 89 CO 0.21 -0.05 0.35 -3.38 -0.55 0.00 0.00 175.29 171.88 2aj3 s HIS 90 N 0.20 3.51 -0.12 1.67 -3.43 -1.07 -0.15 115.29 115.90 2aj3 s HIS 90 Ca -0.00 0.57 0.17 0.00 -0.80 0.00 0.00 55.06 55.01 2aj3 s HIS 90 Cb -0.02 -2.01 0.42 0.00 -1.43 0.00 0.00 32.58 29.54 2aj3 s HIS 90 CO 0.00 0.48 1.20 1.28 -2.00 0.00 0.00 174.74 175.70 2aj3 n LEU 91 N 0.36 1.95 -0.04 5.38 7.99 -0.18 -4.06 117.00 128.40 2aj3 n LEU 91 Ca -0.05 -3.06 -0.12 0.00 -0.01 0.00 0.00 56.01 52.78 2aj3 n LEU 91 Cb 0.52 -0.30 -0.07 0.00 -0.11 0.00 0.00 43.42 43.46 2aj3 n LEU 91 CO 0.47 1.00 0.71 0.50 -1.51 0.00 0.00 177.39 178.56 2aj3 h LYS 92 N 0.99 0.21 -2.47 3.23 1.63 -1.90 -3.48 116.57 114.78 2aj3 h LYS 92 Ca -0.10 -0.08 0.11 0.00 -0.85 0.00 0.00 60.65 59.73 2aj3 h LYS 92 Cb 1.39 -0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 32.89 2aj3 h LYS 92 CO 0.04 0.50 0.42 -0.98 -3.45 0.00 0.00 179.45 175.99 2aj3 s ARG 93 N -4.81 1.09 0.35 1.90 1.70 -1.26 -5.13 118.95 112.79 2aj3 s ARG 93 Ca -0.14 -0.50 -0.25 0.00 -0.47 0.00 0.00 55.73 54.37 2aj3 s ARG 93 Cb 0.05 0.44 -0.10 0.00 -0.57 0.00 0.00 34.95 34.77 2aj3 s ARG 93 CO 0.71 -0.49 0.99 0.71 -1.08 0.00 0.00 175.30 176.14 2aj3 s TYR 94 N -3.34 3.53 0.26 5.89 2.02 -1.26 -3.72 117.35 120.74 2aj3 s TYR 94 Ca 0.07 1.72 -0.17 0.00 -0.37 0.00 0.00 57.07 58.32 2aj3 s TYR 94 Cb -0.02 -3.01 -0.09 0.00 -0.40 0.00 0.00 41.96 38.45 2aj3 s TYR 94 CO -0.05 -0.13 0.72 -1.25 -1.57 0.00 0.00 175.55 173.27 2aj3 s PRO 95 N -2.20 4.13 0.49 -1.71 0.04 -1.26 -5.11 135.00 129.37 2aj3 s PRO 95 Ca 0.53 0.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 2aj3 s PRO 95 Cb -0.20 -2.68 -0.08 0.00 0.04 0.00 0.00 34.50 31.58 2aj3 s PRO 95 CO 0.26 0.29 1.09 0.71 0.04 0.00 0.00 177.00 179.38 2aj3 s TYR 96 N -1.73 2.92 0.01 0.56 2.02 -1.24 -5.03 117.35 114.86 2aj3 s TYR 96 Ca 0.48 1.57 0.02 0.00 -0.37 0.00 0.00 57.07 58.77 2aj3 s TYR 96 Cb -0.14 -3.19 -0.01 0.00 -0.40 0.00 0.00 41.96 38.22 2aj3 s TYR 96 CO 0.19 -1.12 -0.06 0.99 -1.57 0.00 0.00 175.55 173.98 2aj3 s THR 97 N -1.80 0.42 0.19 -0.71 2.01 -1.26 -5.03 115.64 109.46 2aj3 s THR 97 Ca 0.67 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.27 2aj3 s THR 97 Cb -0.21 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2aj3 s THR 97 CO 0.25 -0.03 0.18 -0.36 -0.69 0.00 0.00 174.62 173.98 2aj3 s PHE 98 N -0.47 3.20 0.91 4.92 0.40 -1.26 -2.60 117.98 123.08 2aj3 s PHE 98 Ca -0.02 -0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.17 2aj3 s PHE 98 Cb -0.04 -1.50 0.14 0.00 0.51 0.00 0.00 43.02 42.12 2aj3 s PHE 98 CO -0.00 0.51 1.11 0.20 0.70 0.00 0.00 175.22 177.74 2aj3 s GLY 99 N -3.38 1.59 0.18 4.36 0.00 0.16 -4.81 107.32 105.42 2aj3 s GLY 99 Ca 0.32 -0.32 0.20 0.00 0.00 0.00 0.00 44.72 44.92 2aj3 s GLY 99 CO 0.25 0.21 1.63 0.61 0.00 0.00 0.00 173.10 175.79 2aj3 n GLN 100 N -3.84 0.13 0.00 2.90 -0.00 -1.26 -4.71 117.38 110.61 2aj3 n GLN 100 Ca 0.06 0.38 0.00 0.00 -0.00 0.00 0.00 57.00 57.45 2aj3 n GLN 100 Cb 0.57 -1.76 0.00 0.00 -0.00 0.00 0.00 30.24 29.05 2aj3 n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2aj3 n GLY 101 N -0.07 1.69 2.75 2.61 0.00 -1.26 -5.03 105.19 105.88 2aj3 n GLY 101 Ca 0.02 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 2aj3 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aj3 s THR 102 N -2.73 -0.32 -0.41 2.61 2.01 -0.61 -4.49 115.64 111.70 2aj3 s THR 102 Ca 0.00 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.65 2aj3 s THR 102 Cb 0.00 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.87 2aj3 s THR 102 CO 0.00 -0.20 0.88 -0.75 -0.69 0.00 0.00 174.62 173.87 2aj3 s LYS 103 N 2.32 3.68 -0.50 4.92 2.20 0.57 -1.96 119.74 130.97 2aj3 s LYS 103 Ca 0.06 0.32 -0.17 0.00 -0.36 0.00 0.00 55.97 55.82 2aj3 s LYS 103 Cb -0.16 -3.86 0.07 0.00 -1.51 0.00 0.00 37.83 32.38 2aj3 s LYS 103 CO -0.12 -1.04 0.51 -1.17 -0.36 0.00 0.00 175.35 173.18 2aj3 s LEU 104 N 3.48 5.37 0.39 5.43 1.98 0.15 -1.40 118.68 134.07 2aj3 s LEU 104 Ca 0.36 -1.19 0.08 0.00 -2.89 0.00 0.00 54.13 50.49 2aj3 s LEU 104 Cb -0.12 -2.30 -0.02 0.00 0.66 0.00 0.00 46.19 44.42 2aj3 s LEU 104 CO 0.21 -0.78 0.37 -1.61 -1.89 0.00 0.00 176.35 172.65 2aj3 s GLU 105 N 2.09 2.63 0.18 1.98 2.02 0.99 -2.72 118.70 125.88 2aj3 s GLU 105 Ca 0.09 -1.42 -0.26 0.00 0.02 0.00 0.00 54.97 53.40 2aj3 s GLU 105 Cb -0.22 -2.45 -0.08 0.00 0.10 0.00 0.00 34.13 31.47 2aj3 s GLU 105 CO 0.09 -0.10 0.80 0.42 0.02 0.00 0.00 175.26 176.49 2aj3 s ILE 106 N -2.40 4.32 0.27 -1.63 1.01 -1.26 -2.07 121.20 119.44 2aj3 s ILE 106 Ca 0.46 1.76 -0.13 0.00 0.00 0.00 0.00 60.65 62.74 2aj3 s ILE 106 Cb -0.05 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 2aj3 s ILE 106 CO 0.28 0.51 0.65 -0.55 0.00 0.00 0.00 174.94 175.84 2aj3 s SER 107 N -1.16 6.75 0.17 3.58 0.15 -0.64 -4.62 113.70 117.93 2aj3 s SER 107 Ca 0.37 1.15 -0.24 0.00 0.70 0.00 0.00 55.95 57.93 2aj3 s SER 107 Cb -0.23 -2.32 0.06 0.00 -1.71 0.00 0.00 66.02 61.81 2aj3 s SER 107 CO 0.27 -0.11 0.77 -0.60 1.20 0.00 0.00 173.24 174.77 2aj3 s ARG 108 N -2.75 1.36 0.27 5.44 3.52 -1.26 -4.74 118.95 120.78 2aj3 s ARG 108 Ca 0.49 -0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 55.14 2aj3 s ARG 108 Cb -0.12 0.52 -0.10 0.00 -1.56 0.00 0.00 34.95 33.70 2aj3 s ARG 108 CO 0.19 -0.61 1.28 0.95 -0.81 0.00 0.00 175.30 176.30 2aj3 s THR 109 N -3.60 3.04 0.28 4.11 -4.23 -1.26 -4.91 115.64 109.07 2aj3 s THR 109 Ca 0.08 0.95 -0.28 0.00 -1.18 0.00 0.00 61.69 61.26 2aj3 s THR 109 Cb -0.03 -3.61 -0.14 0.00 1.34 0.00 0.00 72.50 70.06 2aj3 s THR 109 CO -0.02 0.19 0.96 0.52 -0.54 0.00 0.00 174.62 175.73 2aj3 n VAL 110 N 1.63 2.00 -3.67 2.29 0.31 -1.26 -4.84 118.33 114.79 2aj3 n VAL 110 Ca 0.02 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.59 2aj3 n VAL 110 Cb 0.43 -0.90 -0.17 0.00 -0.91 0.00 0.00 33.84 32.28 2aj3 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2aj3 s ALA 111 N -1.06 0.64 0.60 3.52 0.00 0.19 -4.94 121.76 120.71 2aj3 s ALA 111 Ca 0.59 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.96 2aj3 s ALA 111 Cb -0.72 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 2aj3 s ALA 111 CO 0.60 -1.08 1.33 0.00 0.00 0.00 0.00 175.76 176.61 2aj3 s ALA 112 N 2.03 2.57 0.15 0.00 0.00 -1.26 -1.88 121.76 123.38 2aj3 s ALA 112 Ca 0.01 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 2aj3 s ALA 112 Cb -0.16 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 2aj3 s ALA 112 CO -0.08 -1.52 0.63 -1.25 0.00 0.00 0.00 175.76 173.54 2aj3 s PRO 113 N -3.17 4.19 -0.29 0.00 0.04 -1.26 -4.60 135.00 129.91 2aj3 s PRO 113 Ca 0.78 0.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 2aj3 s PRO 113 Cb -0.39 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.13 2aj3 s PRO 113 CO 0.44 0.51 1.02 -1.12 0.04 0.00 0.00 177.00 177.88 2aj3 s SER 114 N -1.47 6.94 -0.24 6.66 0.01 -0.08 -4.78 113.70 120.75 2aj3 s SER 114 Ca 0.37 1.09 -0.08 0.00 1.31 0.00 0.00 55.95 58.64 2aj3 s SER 114 Cb -0.18 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2aj3 s SER 114 CO 0.20 -0.77 0.10 -0.69 0.41 0.00 0.00 173.24 172.49 2aj3 s VAL 115 N 3.39 4.70 0.25 3.43 1.01 -1.25 0.69 120.40 132.61 2aj3 s VAL 115 Ca 0.43 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.43 2aj3 s VAL 115 Cb -0.13 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2aj3 s VAL 115 CO 0.12 0.35 -0.09 -0.36 0.00 0.00 0.00 175.10 175.12 2aj3 s PHE 116 N 1.32 1.84 -0.01 5.22 0.08 0.17 -4.95 117.98 121.66 2aj3 s PHE 116 Ca 0.06 -0.66 -0.00 0.00 0.12 0.00 0.00 56.93 56.45 2aj3 s PHE 116 Cb -0.15 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.34 2aj3 s PHE 116 CO 0.05 0.30 0.02 -1.50 -0.10 0.00 0.00 175.22 173.99 2aj3 s ILE 117 N -3.01 -0.02 -0.16 0.64 2.07 -1.26 -0.55 121.20 118.90 2aj3 s ILE 117 Ca 0.27 0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.61 2aj3 s ILE 117 Cb 0.02 -0.05 0.01 0.00 0.13 0.00 0.00 42.46 42.57 2aj3 s ILE 117 CO 0.10 0.04 -0.19 -0.36 -1.91 0.00 0.00 174.94 172.62 2aj3 s PHE 118 N 0.46 2.75 0.77 3.50 0.08 0.99 -5.00 117.98 121.53 2aj3 s PHE 118 Ca -0.04 -1.37 -0.11 0.00 0.12 0.00 0.00 56.93 55.52 2aj3 s PHE 118 Cb -0.05 -1.89 0.05 0.00 -0.57 0.00 0.00 43.02 40.56 2aj3 s PHE 118 CO -0.01 -0.66 1.09 -2.14 -0.10 0.00 0.00 175.22 173.40 2aj3 s PRO 119 N 1.05 2.33 0.76 0.24 0.02 -1.26 -1.24 135.00 136.89 2aj3 s PRO 119 Ca -0.01 0.63 -0.15 0.00 0.02 0.00 0.00 61.00 61.49 2aj3 s PRO 119 Cb -0.14 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.48 2aj3 s PRO 119 CO -0.06 -1.45 1.23 -1.25 -0.33 0.00 0.00 177.00 175.15 2aj3 s PRO 120 N -5.19 1.93 0.46 5.54 0.04 -1.13 -4.82 135.00 131.82 2aj3 s PRO 120 Ca 0.60 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 63.36 2aj3 s PRO 120 Cb -0.14 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 2aj3 s PRO 120 CO 0.54 -2.02 0.88 -1.54 0.04 0.00 0.00 177.00 174.90 2aj3 s SER 121 N -1.91 6.59 0.31 6.66 1.04 -1.26 -4.93 113.70 120.19 2aj3 s SER 121 Ca 0.76 1.37 0.05 0.00 0.48 0.00 0.00 55.95 58.61 2aj3 s SER 121 Cb -0.31 -2.42 0.50 0.00 0.10 0.00 0.00 66.02 63.88 2aj3 s SER 121 CO 0.47 -0.48 1.76 0.44 0.98 0.00 0.00 173.24 176.41 2aj3 h ASP 122 N 1.15 0.39 -0.67 7.02 3.32 -1.99 -0.06 116.42 125.58 2aj3 h ASP 122 Ca -0.47 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.46 2aj3 h ASP 122 Cb 1.19 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 2aj3 h ASP 122 CO 0.63 0.64 0.44 -0.33 -1.72 0.00 0.00 179.24 178.90 2aj3 h GLU 123 N 0.35 0.88 -0.21 3.56 5.08 -2.00 -1.47 114.58 120.78 2aj3 h GLU 123 Ca 0.06 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2aj3 h GLU 123 Cb 0.61 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2aj3 h GLU 123 CO 0.04 0.59 -0.35 0.37 -1.00 0.00 0.00 179.01 178.66 2aj3 h GLN 124 N 0.91 0.61 -0.95 2.33 4.15 -1.72 -3.19 115.11 117.25 2aj3 h GLN 124 Ca 0.25 -0.37 0.12 0.00 0.77 0.00 0.00 58.65 59.41 2aj3 h GLN 124 Cb -0.11 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.54 2aj3 h GLN 124 CO -0.05 0.98 0.57 -0.07 -1.93 0.00 0.00 178.83 178.34 2aj3 h LEU 125 N 0.30 0.82 -2.21 -2.39 3.38 -0.66 0.52 115.31 115.06 2aj3 h LEU 125 Ca 0.02 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2aj3 h LEU 125 Cb 0.94 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2aj3 h LEU 125 CO 0.08 0.43 0.26 0.50 0.09 0.00 0.00 178.44 179.80 2aj3 h LYS 126 N 0.90 0.00 0.00 1.13 3.64 -1.26 0.28 116.57 121.26 2aj3 h LYS 126 Ca 0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2aj3 h LYS 126 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2aj3 h LYS 126 CO -0.28 0.00 -0.37 -1.13 -2.27 0.00 0.00 179.45 175.40 2aj3 n SER 127 N -3.35 0.41 0.00 4.20 3.41 0.17 -4.96 113.62 113.50 2aj3 n SER 127 Ca 0.01 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2aj3 n SER 127 Cb 0.36 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2aj3 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aj3 n GLY 128 N 1.47 1.42 3.56 5.00 0.00 0.99 -5.09 105.19 112.54 2aj3 n GLY 128 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2aj3 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aj3 s THR 129 N -2.13 2.73 -0.06 2.61 -4.23 -1.26 -1.51 115.64 111.79 2aj3 s THR 129 Ca 0.00 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.36 2aj3 s THR 129 Cb 0.00 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.26 2aj3 s THR 129 CO 0.00 -0.32 -0.01 0.00 -0.54 0.00 0.00 174.62 173.75 2aj3 s ALA 130 N -2.48 0.71 -0.18 3.99 0.00 0.54 -3.49 121.76 120.85 2aj3 s ALA 130 Ca 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 2aj3 s ALA 130 Cb -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2aj3 s ALA 130 CO 0.18 -0.32 -0.13 -1.12 0.00 0.00 0.00 175.76 174.36 2aj3 s SER 131 N 1.63 3.72 -0.16 0.00 0.01 -1.26 -1.62 113.70 116.03 2aj3 s SER 131 Ca 0.00 -0.49 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 2aj3 s SER 131 Cb -0.13 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 2aj3 s SER 131 CO -0.04 0.03 -0.00 -0.69 0.41 0.00 0.00 173.24 172.95 2aj3 s VAL 132 N 1.16 4.20 -0.08 3.43 1.01 0.02 -2.86 120.40 127.28 2aj3 s VAL 132 Ca 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2aj3 s VAL 132 Cb -0.14 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2aj3 s VAL 132 CO -0.05 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.66 2aj3 s VAL 133 N 0.27 2.59 -0.11 2.92 1.01 -0.37 -0.94 120.40 125.77 2aj3 s VAL 133 Ca -0.01 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2aj3 s VAL 133 Cb -0.13 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 2aj3 s VAL 133 CO 0.02 0.56 -0.22 0.00 0.00 0.00 0.00 175.10 175.46 2aj3 s LEU 135 N 0.36 3.09 -0.62 0.00 2.96 0.29 -1.91 118.68 122.84 2aj3 s LEU 135 Ca -0.17 -0.82 -0.14 0.00 -0.22 0.00 0.00 54.13 52.77 2aj3 s LEU 135 Cb -0.18 -1.65 0.16 0.00 0.50 0.00 0.00 46.19 45.02 2aj3 s LEU 135 CO 0.08 -0.11 0.56 -0.76 -1.32 0.00 0.00 176.35 174.80 2aj3 s LEU 136 N 1.33 6.28 -0.01 -0.68 1.02 -0.61 -0.65 118.68 125.36 2aj3 s LEU 136 Ca 0.01 -2.10 -0.13 0.00 0.02 0.00 0.00 54.13 51.92 2aj3 s LEU 136 Cb -0.16 -2.18 -0.05 0.00 0.02 0.00 0.00 46.19 43.81 2aj3 s LEU 136 CO -0.05 -0.74 0.37 0.21 0.02 0.00 0.00 176.35 176.16 2aj3 s ASN 137 N 2.99 6.74 -0.55 2.29 3.04 0.22 -1.02 114.94 128.65 2aj3 s ASN 137 Ca 0.08 0.89 -0.27 0.00 0.04 0.00 0.00 52.86 53.60 2aj3 s ASN 137 Cb -0.23 -2.22 0.04 0.00 -1.54 0.00 0.00 41.25 37.29 2aj3 s ASN 137 CO -0.01 0.33 0.65 0.59 -3.04 0.00 0.00 177.10 175.61 2aj3 n ASN 138 N 1.78 -5.61 -4.31 -4.21 4.13 -1.22 -0.90 115.26 104.93 2aj3 n ASN 138 Ca -0.14 -0.29 -0.28 0.00 1.68 0.00 0.00 54.58 55.55 2aj3 n ASN 138 Cb 0.53 -2.06 -0.08 0.00 -1.54 0.00 0.00 39.78 36.63 2aj3 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2aj3 s PHE 139 N -1.96 1.82 -0.29 3.10 -0.12 0.90 -4.58 117.98 116.84 2aj3 s PHE 139 Ca 0.27 -1.19 -0.23 0.00 -0.05 0.00 0.00 56.93 55.74 2aj3 s PHE 139 Cb -0.03 -1.30 0.18 0.00 -0.63 0.00 0.00 43.02 41.24 2aj3 s PHE 139 CO 0.87 -0.14 1.30 -0.47 -0.05 0.00 0.00 175.22 176.73 2aj3 s TYR 140 N -3.10 -0.18 1.46 3.49 6.14 -0.79 0.14 117.35 124.52 2aj3 s TYR 140 Ca 0.18 0.42 -0.24 0.00 0.64 0.00 0.00 57.07 58.07 2aj3 s TYR 140 Cb 0.02 0.39 0.38 0.00 0.42 0.00 0.00 41.96 43.17 2aj3 s TYR 140 CO 0.11 -0.09 0.85 -0.35 0.64 0.00 0.00 175.55 176.72 2aj3 n PRO 141 N 2.06 -4.79 -0.04 4.97 -0.04 -1.26 0.53 135.00 136.43 2aj3 n PRO 141 Ca -0.12 -1.42 -0.12 0.00 -0.04 0.00 0.00 63.50 61.79 2aj3 n PRO 141 Cb 0.57 -1.90 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 2aj3 n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2aj3 h ARG 142 N -3.62 0.22 -6.82 0.54 9.65 -1.97 -3.46 114.38 108.92 2aj3 h ARG 142 Ca -0.39 -0.09 -0.53 0.00 -1.10 0.00 0.00 59.98 57.87 2aj3 h ARG 142 Cb 1.31 -0.01 0.08 0.00 -1.39 0.00 0.00 29.97 29.96 2aj3 h ARG 142 CO 0.24 0.54 0.81 -1.83 2.80 0.00 0.00 179.97 182.54 2aj3 s GLU 143 N -4.66 4.17 0.03 0.20 -1.05 -1.26 -5.01 118.70 111.12 2aj3 s GLU 143 Ca -0.15 2.48 -0.20 0.00 -0.15 0.00 0.00 54.97 56.96 2aj3 s GLU 143 Cb 0.05 -3.04 0.04 0.00 -0.44 0.00 0.00 34.13 30.74 2aj3 s GLU 143 CO 0.71 -0.53 0.45 0.00 0.95 0.00 0.00 175.26 176.85 2aj3 s ALA 144 N -0.32 -1.13 -0.25 -0.84 0.00 -1.26 -4.72 121.76 113.24 2aj3 s ALA 144 Ca 0.59 0.48 0.02 0.00 0.00 0.00 0.00 51.96 53.05 2aj3 s ALA 144 Cb -0.45 0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.01 2aj3 s ALA 144 CO 0.50 -0.43 -0.08 0.21 0.00 0.00 0.00 175.76 175.96 2aj3 s LYS 145 N -2.19 1.87 -0.14 0.00 2.20 -0.61 -4.96 119.74 115.91 2aj3 s LYS 145 Ca -0.07 -1.15 -0.07 0.00 -0.36 0.00 0.00 55.97 54.33 2aj3 s LYS 145 Cb -0.01 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 2aj3 s LYS 145 CO -0.00 -0.59 0.09 0.08 -0.36 0.00 0.00 175.35 174.57 2aj3 s VAL 146 N 1.27 5.06 -0.03 4.02 1.01 -1.26 -0.20 120.40 130.27 2aj3 s VAL 146 Ca -0.07 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 2aj3 s VAL 146 Cb -0.19 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 32.99 2aj3 s VAL 146 CO -0.06 0.54 0.06 -1.10 0.00 0.00 0.00 175.10 174.54 2aj3 s GLN 147 N -0.38 -0.01 -0.06 2.72 -0.21 0.37 -4.98 119.66 117.11 2aj3 s GLN 147 Ca 0.10 0.22 -0.15 0.00 0.02 0.00 0.00 55.36 55.55 2aj3 s GLN 147 Cb -0.12 -0.22 -0.05 0.00 1.00 0.00 0.00 33.01 33.62 2aj3 s GLN 147 CO 0.02 -0.16 0.39 -1.58 -2.12 0.00 0.00 175.29 171.83 2aj3 s TRP 148 N 1.05 3.63 -0.12 0.91 0.52 -1.26 -0.45 118.94 123.21 2aj3 s TRP 148 Ca -0.09 0.88 -0.01 0.00 0.02 0.00 0.00 56.10 56.90 2aj3 s TRP 148 Cb -0.12 -2.34 0.04 0.00 -1.15 0.00 0.00 33.47 29.90 2aj3 s TRP 148 CO -0.04 0.47 -0.02 0.15 0.02 0.00 0.00 176.95 177.54 2aj3 s LYS 149 N -0.43 0.98 -0.36 4.98 1.02 -0.79 0.19 119.74 125.33 2aj3 s LYS 149 Ca 0.22 -0.19 -0.13 0.00 0.02 0.00 0.00 55.97 55.89 2aj3 s LYS 149 Cb -0.15 -1.52 -0.00 0.00 -0.52 0.00 0.00 37.83 35.63 2aj3 s LYS 149 CO 0.11 -0.38 0.26 0.08 -0.92 0.00 0.00 175.35 174.49 2aj3 s VAL 150 N 1.83 5.25 -1.14 3.17 1.01 -0.75 -1.29 120.40 128.47 2aj3 s VAL 150 Ca 0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2aj3 s VAL 150 Cb -0.14 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2aj3 s VAL 150 CO -0.07 -0.11 0.98 0.47 0.00 0.00 0.00 175.10 176.37 2aj3 n ASP 151 N 5.12 -4.10 -1.65 3.32 8.00 0.12 -1.34 116.55 126.02 2aj3 n ASP 151 Ca -0.12 -0.51 -0.20 0.00 0.71 0.00 0.00 54.79 54.66 2aj3 n ASP 151 Cb 0.49 -4.58 -0.08 0.00 -0.02 0.00 0.00 41.12 36.93 2aj3 n ASP 151 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2aj3 n ASN 152 N -2.70 -5.39 -4.23 -2.24 4.05 -1.26 -4.93 115.26 98.56 2aj3 n ASN 152 Ca -0.12 0.47 -0.42 0.00 0.45 0.00 0.00 54.58 54.96 2aj3 n ASN 152 Cb 0.60 -4.75 -0.07 0.00 1.23 0.00 0.00 39.78 36.79 2aj3 n ASN 152 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2aj3 s ALA 153 N -2.75 3.59 -0.11 5.20 0.00 -0.45 -5.00 121.76 122.25 2aj3 s ALA 153 Ca 0.00 -2.81 -0.40 0.00 0.00 0.00 0.00 51.96 48.75 2aj3 s ALA 153 Cb 0.00 -2.99 -0.18 0.00 0.00 0.00 0.00 23.12 19.95 2aj3 s ALA 153 CO 0.00 -2.03 1.38 -0.11 0.00 0.00 0.00 175.76 175.01 2aj3 n LEU 154 N 4.54 1.23 -4.93 0.00 7.94 -1.26 -1.81 117.00 122.72 2aj3 n LEU 154 Ca -0.02 1.13 -0.26 0.00 -1.11 0.00 0.00 56.01 55.76 2aj3 n LEU 154 Cb 0.41 -1.05 -0.02 0.00 0.53 0.00 0.00 43.42 43.30 2aj3 n LEU 154 CO 0.41 -1.15 0.20 -1.10 -1.11 0.00 0.00 177.39 174.64 2aj3 s GLN 155 N 1.37 3.54 -0.18 1.96 -1.52 0.50 -4.89 119.66 120.43 2aj3 s GLN 155 Ca 0.93 -0.18 -0.17 0.00 -1.95 0.00 0.00 55.36 53.99 2aj3 s GLN 155 Cb -1.16 -2.64 0.05 0.00 -0.22 0.00 0.00 33.01 29.03 2aj3 s GLN 155 CO 0.59 0.15 0.49 -1.54 -0.25 0.00 0.00 175.29 174.74 2aj3 s SER 156 N -3.71 -0.51 0.00 5.90 1.04 -1.26 -4.62 113.70 110.54 2aj3 s SER 156 Ca 0.42 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2aj3 s SER 156 Cb -0.10 1.00 0.00 0.00 0.10 0.00 0.00 66.02 67.02 2aj3 s SER 156 CO 0.35 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2aj3 n GLY 157 N 2.84 0.32 0.75 7.32 0.00 -1.26 -4.84 105.19 110.31 2aj3 n GLY 157 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.94 2aj3 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aj3 n ASN 158 N -0.35 1.59 -3.82 1.61 6.94 -1.26 -5.04 115.26 114.93 2aj3 n ASN 158 Ca 0.00 -3.58 -0.12 0.00 -0.02 0.00 0.00 54.58 50.86 2aj3 n ASN 158 Cb 0.17 -0.49 -0.09 0.00 -2.36 0.00 0.00 39.78 37.01 2aj3 n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2aj3 s SER 159 N -3.03 -0.06 0.02 0.53 1.04 -1.26 -1.27 113.70 109.68 2aj3 s SER 159 Ca 0.37 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.73 2aj3 s SER 159 Cb 0.37 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 2aj3 s SER 159 CO -0.09 -0.43 -0.14 -1.10 0.98 0.00 0.00 173.24 172.46 2aj3 s GLN 160 N -1.56 1.02 0.25 4.02 -0.21 -0.36 -4.94 119.66 117.89 2aj3 s GLN 160 Ca -0.13 -0.64 0.09 0.00 0.02 0.00 0.00 55.36 54.70 2aj3 s GLN 160 Cb -0.06 -1.01 -0.04 0.00 1.00 0.00 0.00 33.01 32.90 2aj3 s GLN 160 CO 0.02 0.26 0.01 -1.21 -2.12 0.00 0.00 175.29 172.25 2aj3 s GLU 161 N -0.78 2.34 -0.18 2.91 2.02 -1.26 -0.49 118.70 123.27 2aj3 s GLU 161 Ca 0.03 -1.36 -0.15 0.00 0.02 0.00 0.00 54.97 53.52 2aj3 s GLU 161 Cb -0.07 -2.21 0.05 0.00 0.10 0.00 0.00 34.13 32.00 2aj3 s GLU 161 CO 0.00 0.38 0.46 0.45 0.02 0.00 0.00 175.26 176.58 2aj3 s SER 162 N -3.59 -0.51 -0.02 -0.19 0.15 0.34 -4.98 113.70 104.90 2aj3 s SER 162 Ca 0.31 0.95 0.05 0.00 0.70 0.00 0.00 55.95 57.96 2aj3 s SER 162 Cb -0.07 0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 65.16 2aj3 s SER 162 CO 0.20 -0.17 -0.17 -0.69 1.20 0.00 0.00 173.24 173.61 2aj3 s VAL 163 N 0.54 1.36 0.68 4.45 1.01 -1.26 -0.10 120.40 127.08 2aj3 s VAL 163 Ca -0.02 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 2aj3 s VAL 163 Cb -0.04 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.21 2aj3 s VAL 163 CO -0.03 0.39 1.05 0.42 0.00 0.00 0.00 175.10 176.93 2aj3 s THR 164 N -0.28 3.44 0.23 3.92 -4.23 -0.60 -5.00 115.64 113.13 2aj3 s THR 164 Ca 0.04 0.34 -0.30 0.00 -1.18 0.00 0.00 61.69 60.59 2aj3 s THR 164 Cb -0.08 -3.44 -0.09 0.00 1.34 0.00 0.00 72.50 70.23 2aj3 s THR 164 CO 0.00 -0.56 1.04 -1.61 -0.54 0.00 0.00 174.62 172.96 2aj3 s GLU 165 N -5.28 4.70 -0.39 3.99 0.41 -1.26 -4.61 118.70 116.26 2aj3 s GLU 165 Ca 0.57 1.67 -0.44 0.00 -0.41 0.00 0.00 54.97 56.36 2aj3 s GLU 165 Cb -0.11 -3.25 -0.20 0.00 -1.78 0.00 0.00 34.13 28.80 2aj3 s GLU 165 CO 0.50 0.27 1.46 0.94 -0.49 0.00 0.00 175.26 177.93 2aj3 n GLN 166 N 1.66 0.00 -1.66 1.61 7.27 -1.26 -4.79 117.38 120.20 2aj3 n GLN 166 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 2aj3 n GLN 166 Cb 0.46 -1.46 0.04 0.00 2.41 0.00 0.00 30.24 31.68 2aj3 n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2aj3 n ASP 167 N 3.41 1.68 0.03 1.69 2.03 -0.02 -4.86 116.55 120.50 2aj3 n ASP 167 Ca 0.28 0.94 0.12 0.00 0.52 0.00 0.00 54.79 56.65 2aj3 n ASP 167 Cb -0.03 -1.45 0.17 0.00 -0.72 0.00 0.00 41.12 39.09 2aj3 n ASP 167 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2aj3 n ASN 168 N -0.46 0.60 -0.08 1.67 6.94 -1.26 -1.99 115.26 120.68 2aj3 n ASN 168 Ca 0.11 -0.12 -0.08 0.00 -0.02 0.00 0.00 54.58 54.47 2aj3 n ASN 168 Cb 0.44 0.34 -0.14 0.00 -2.36 0.00 0.00 39.78 38.06 2aj3 n ASN 168 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2aj3 n LYS 169 N -1.81 1.02 0.00 -3.83 4.81 -1.26 -4.68 118.16 112.41 2aj3 n LYS 169 Ca 0.04 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2aj3 n LYS 169 Cb 0.39 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.98 2aj3 n LYS 169 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2aj3 n ASP 170 N -2.64 0.36 -2.57 3.14 5.68 -1.26 -5.04 116.55 114.23 2aj3 n ASP 170 Ca -0.28 -0.68 -0.21 0.00 -0.50 0.00 0.00 54.79 53.12 2aj3 n ASP 170 Cb 1.05 0.37 0.01 0.00 -1.14 0.00 0.00 41.12 41.41 2aj3 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2aj3 n SER 171 N -0.37 -5.93 -4.89 -1.12 7.64 -0.84 -4.96 113.62 103.15 2aj3 n SER 171 Ca 0.00 -0.12 -0.21 0.00 1.01 0.00 0.00 58.87 59.55 2aj3 n SER 171 Cb 0.03 -4.87 -0.02 0.00 -1.01 0.00 0.00 64.21 58.34 2aj3 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2aj3 s THR 172 N -3.08 2.56 0.04 0.44 -4.23 -1.26 -4.66 115.64 105.45 2aj3 s THR 172 Ca 0.11 -1.33 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 2aj3 s THR 172 Cb -0.05 -2.89 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 2aj3 s THR 172 CO 0.13 0.00 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.71 2aj3 s TYR 173 N -2.50 1.75 0.07 3.99 1.51 0.38 -0.84 117.35 121.70 2aj3 s TYR 173 Ca 0.48 -0.37 0.09 0.00 -1.01 0.00 0.00 57.07 56.26 2aj3 s TYR 173 Cb -0.03 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 2aj3 s TYR 173 CO 0.28 0.07 -0.25 -1.12 -1.11 0.00 0.00 175.55 173.43 2aj3 s SER 174 N -1.10 3.35 -0.02 2.29 0.01 -1.26 -0.07 113.70 116.90 2aj3 s SER 174 Ca 0.07 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.75 2aj3 s SER 174 Cb -0.09 -0.34 -0.00 0.00 0.21 0.00 0.00 66.02 65.81 2aj3 s SER 174 CO 0.01 0.23 -0.11 -0.22 0.41 0.00 0.00 173.24 173.57 2aj3 s LEU 175 N -1.55 1.87 -0.19 2.44 0.20 -0.19 -1.56 118.68 119.71 2aj3 s LEU 175 Ca 0.13 -0.22 -0.01 0.00 0.69 0.00 0.00 54.13 54.72 2aj3 s LEU 175 Cb -0.10 -0.64 0.01 0.00 -0.43 0.00 0.00 46.19 45.03 2aj3 s LEU 175 CO 0.04 0.10 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.51 2aj3 s SER 176 N 0.04 3.55 -0.10 3.68 0.15 0.85 -1.57 113.70 120.30 2aj3 s SER 176 Ca -0.01 -0.55 0.03 0.00 0.70 0.00 0.00 55.95 56.12 2aj3 s SER 176 Cb -0.08 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.65 2aj3 s SER 176 CO 0.00 0.01 -0.19 -0.55 1.20 0.00 0.00 173.24 173.71 2aj3 s SER 177 N 1.27 3.54 -0.17 5.45 0.15 -0.80 -0.51 113.70 122.64 2aj3 s SER 177 Ca 0.04 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2aj3 s SER 177 Cb -0.14 -1.38 0.03 0.00 -1.71 0.00 0.00 66.02 62.83 2aj3 s SER 177 CO -0.08 0.19 -0.12 -0.89 1.20 0.00 0.00 173.24 173.53 2aj3 s THR 178 N 0.20 1.58 -0.21 6.45 2.01 0.36 -0.86 115.64 125.16 2aj3 s THR 178 Ca -0.11 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 60.97 2aj3 s THR 178 Cb -0.16 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 2aj3 s THR 178 CO 0.06 0.34 0.32 -0.22 -0.69 0.00 0.00 174.62 174.44 2aj3 s LEU 179 N 1.46 4.14 -0.14 4.42 1.98 -0.11 -1.22 118.68 129.20 2aj3 s LEU 179 Ca 0.03 0.39 -0.00 0.00 -2.89 0.00 0.00 54.13 51.65 2aj3 s LEU 179 Cb -0.14 -2.38 -0.01 0.00 0.66 0.00 0.00 46.19 44.31 2aj3 s LEU 179 CO -0.10 -0.03 -0.13 -0.89 -1.89 0.00 0.00 176.35 173.31 2aj3 s THR 180 N 1.23 2.95 0.09 3.68 2.01 -0.39 -0.80 115.64 124.41 2aj3 s THR 180 Ca 0.15 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 2aj3 s THR 180 Cb -0.14 -2.25 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 2aj3 s THR 180 CO 0.07 0.52 0.18 -0.76 -0.69 0.00 0.00 174.62 173.94 2aj3 s LEU 181 N 0.55 1.45 0.47 4.42 1.43 -0.64 -4.85 118.68 121.51 2aj3 s LEU 181 Ca -0.08 -0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 52.12 2aj3 s LEU 181 Cb -0.16 1.00 -0.09 0.00 0.03 0.00 0.00 46.19 46.97 2aj3 s LEU 181 CO 0.04 -0.73 1.02 -0.94 0.23 0.00 0.00 176.35 175.96 2aj3 s SER 182 N -2.87 6.51 0.27 2.29 1.04 -1.26 -0.34 113.70 119.34 2aj3 s SER 182 Ca 0.06 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.37 2aj3 s SER 182 Cb 0.05 -2.56 0.58 0.00 0.10 0.00 0.00 66.02 64.19 2aj3 s SER 182 CO -0.10 -0.66 1.75 0.50 0.98 0.00 0.00 173.24 175.71 2aj3 h LYS 183 N 1.70 0.59 0.40 4.02 3.64 -1.52 0.25 116.57 125.64 2aj3 h LYS 183 Ca -0.49 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 2aj3 h LYS 183 Cb 1.21 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 2aj3 h LYS 183 CO 0.60 0.39 -0.48 0.00 -2.27 0.00 0.00 179.45 177.68 2aj3 h ALA 184 N 1.59 -1.04 -0.75 5.00 0.00 -1.91 0.22 119.26 122.36 2aj3 h ALA 184 Ca 0.49 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2aj3 h ALA 184 Cb 0.73 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 2aj3 h ALA 184 CO -0.39 -1.13 0.49 -0.44 0.00 0.00 0.00 179.25 177.78 2aj3 h ASP 185 N -0.91 0.71 -0.44 0.00 5.19 -1.74 -2.58 116.42 116.65 2aj3 h ASP 185 Ca -0.04 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 2aj3 h ASP 185 Cb 0.82 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 2aj3 h ASP 185 CO -0.11 0.47 0.12 0.22 -3.12 0.00 0.00 179.24 176.81 2aj3 h TYR 186 N 0.82 0.74 -0.01 4.55 3.20 0.42 -2.64 116.97 124.05 2aj3 h TYR 186 Ca 0.32 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2aj3 h TYR 186 Cb 0.21 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2aj3 h TYR 186 CO -0.00 0.68 0.00 0.39 -1.64 0.00 0.00 178.16 177.59 2aj3 n GLU 187 N -4.53 1.02 0.01 1.82 1.02 0.67 -2.99 120.64 117.66 2aj3 n GLU 187 Ca 0.00 -0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.07 2aj3 n GLU 187 Cb 0.21 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.22 2aj3 n GLU 187 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2aj3 h LYS 188 N 0.08 0.00 -6.05 3.49 1.57 -1.20 -3.48 116.57 110.97 2aj3 h LYS 188 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2aj3 h LYS 188 Cb 0.02 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2aj3 h LYS 188 CO 0.00 0.41 -0.39 -1.01 -0.57 0.00 0.00 179.45 177.89 2aj3 s HIS 189 N -2.77 2.42 -0.02 -1.35 3.76 -1.16 -5.09 115.29 111.08 2aj3 s HIS 189 Ca -0.03 -0.60 -0.05 0.00 -0.15 0.00 0.00 55.06 54.23 2aj3 s HIS 189 Cb 0.08 -2.06 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 2aj3 s HIS 189 CO 0.82 -0.14 -0.10 1.17 -0.85 0.00 0.00 174.74 175.64 2aj3 n LYS 190 N -1.53 0.16 -3.54 1.40 4.81 -1.26 -4.78 118.16 113.42 2aj3 n LYS 190 Ca 0.01 0.07 -0.37 0.00 -0.87 0.00 0.00 58.31 57.15 2aj3 n LYS 190 Cb 0.63 -0.77 -0.08 0.00 0.02 0.00 0.00 35.03 34.83 2aj3 n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2aj3 s VAL 191 N -2.21 5.29 -0.29 3.15 1.01 -1.26 -0.08 120.40 126.01 2aj3 s VAL 191 Ca -0.09 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 2aj3 s VAL 191 Cb 0.02 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.84 2aj3 s VAL 191 CO 0.13 0.33 -0.00 -0.31 0.00 0.00 0.00 175.10 175.24 2aj3 s TYR 192 N 0.97 3.20 0.03 5.22 2.02 -0.87 0.16 117.35 128.09 2aj3 s TYR 192 Ca 0.14 -1.69 0.07 0.00 -0.37 0.00 0.00 57.07 55.22 2aj3 s TYR 192 Cb -0.14 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 2aj3 s TYR 192 CO 0.05 -0.76 -0.21 0.00 -1.57 0.00 0.00 175.55 173.06 2aj3 s ALA 193 N 1.30 2.47 -0.28 3.71 0.00 -0.41 -2.11 121.76 126.44 2aj3 s ALA 193 Ca -0.03 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 2aj3 s ALA 193 Cb -0.19 -0.67 0.05 0.00 0.00 0.00 0.00 23.12 22.31 2aj3 s ALA 193 CO -0.01 0.56 -0.03 0.00 0.00 0.00 0.00 175.76 176.27 2aj3 s GLU 195 N 1.25 3.64 -0.13 0.00 2.12 0.40 -1.17 118.70 124.81 2aj3 s GLU 195 Ca -0.04 -0.53 -0.03 0.00 0.36 0.00 0.00 54.97 54.73 2aj3 s GLU 195 Cb -0.19 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 2aj3 s GLU 195 CO -0.02 -0.30 -0.02 0.08 -0.54 0.00 0.00 175.26 174.45 2aj3 s VAL 196 N 1.69 4.09 -0.35 3.70 1.01 0.48 -0.48 120.40 130.54 2aj3 s VAL 196 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2aj3 s VAL 196 Cb -0.16 -2.76 0.10 0.00 0.00 0.00 0.00 36.38 33.55 2aj3 s VAL 196 CO 0.08 0.53 0.08 -0.89 0.00 0.00 0.00 175.10 174.91 2aj3 s THR 197 N -0.14 2.51 0.21 3.92 2.01 0.72 -1.82 115.64 123.06 2aj3 s THR 197 Ca 0.04 -2.28 0.06 0.00 0.31 0.00 0.00 61.69 59.82 2aj3 s THR 197 Cb -0.13 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 2aj3 s THR 197 CO 0.02 -0.62 -0.10 -2.28 -0.69 0.00 0.00 174.62 170.96 2aj3 s HIS 198 N 0.96 1.66 0.15 4.92 2.46 -1.26 -1.57 115.29 122.60 2aj3 s HIS 198 Ca 0.10 -0.68 -0.09 0.00 0.47 0.00 0.00 55.06 54.86 2aj3 s HIS 198 Cb -0.20 -0.85 -0.01 0.00 -0.13 0.00 0.00 32.58 31.39 2aj3 s HIS 198 CO -0.07 0.24 1.48 0.37 -2.47 0.00 0.00 174.74 174.28 2aj3 h GLN 199 N 2.53 0.86 0.00 2.88 4.15 -1.93 -2.54 115.11 121.05 2aj3 h GLN 199 Ca -0.38 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.56 2aj3 h GLN 199 Cb 1.22 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2aj3 h GLN 199 CO 0.64 1.12 0.00 0.41 -1.93 0.00 0.00 178.83 179.06 2aj3 n GLY 200 N 0.18 -0.48 3.31 2.39 0.00 -1.26 -4.49 105.19 104.84 2aj3 n GLY 200 Ca -0.03 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2aj3 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aj3 s LEU 201 N -2.25 2.74 0.40 0.99 1.43 -0.96 -4.49 118.68 116.54 2aj3 s LEU 201 Ca 0.14 -0.39 0.20 0.00 -1.03 0.00 0.00 54.13 53.04 2aj3 s LEU 201 Cb 0.07 -1.66 0.81 0.00 0.03 0.00 0.00 46.19 45.45 2aj3 s LEU 201 CO 0.14 0.06 1.80 0.77 0.23 0.00 0.00 176.35 179.35 2aj3 h SER 202 N 7.52 0.00 -3.87 2.29 4.64 -1.82 -3.44 113.55 118.88 2aj3 h SER 202 Ca -0.36 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.75 2aj3 h SER 202 Cb 1.18 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.00 2aj3 h SER 202 CO 0.59 0.32 -0.66 -0.44 -0.87 0.00 0.00 176.83 175.78 2aj3 s SER 203 N -6.42 -0.03 -0.57 4.97 0.01 -1.26 -5.10 113.70 105.31 2aj3 s SER 203 Ca -0.01 0.05 -0.32 0.00 1.31 0.00 0.00 55.95 56.99 2aj3 s SER 203 Cb 0.11 0.10 -0.13 0.00 0.21 0.00 0.00 66.02 66.32 2aj3 s SER 203 CO 0.67 -0.05 2.39 -2.65 0.41 0.00 0.00 173.24 174.02 2aj3 n PRO 204 N 2.91 0.75 -2.36 12.44 -0.02 -1.26 -4.91 135.00 142.55 2aj3 n PRO 204 Ca -0.13 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.06 2aj3 n PRO 204 Cb 0.59 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 2aj3 n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aj3 s VAL 205 N 9.17 3.29 -0.06 -1.45 1.01 -0.76 -4.79 120.40 126.82 2aj3 s VAL 205 Ca 1.14 1.25 0.03 0.00 0.00 0.00 0.00 61.98 64.40 2aj3 s VAL 205 Cb -0.78 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 31.81 2aj3 s VAL 205 CO 0.43 0.28 -0.15 -0.89 0.00 0.00 0.00 175.10 174.77 2aj3 s THR 206 N -0.94 1.33 -0.12 3.92 2.01 -1.26 -0.39 115.64 120.18 2aj3 s THR 206 Ca 0.47 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.87 2aj3 s THR 206 Cb -0.34 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.01 2aj3 s THR 206 CO 0.43 0.39 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.83 2aj3 s LYS 207 N 0.33 2.53 0.25 4.92 2.47 -0.32 -4.97 119.74 124.95 2aj3 s LYS 207 Ca -0.10 -0.67 -0.07 0.00 -1.56 0.00 0.00 55.97 53.58 2aj3 s LYS 207 Cb -0.14 -2.11 -0.02 0.00 -1.46 0.00 0.00 37.83 34.11 2aj3 s LYS 207 CO 0.03 -0.05 0.35 -1.54 0.16 0.00 0.00 175.35 174.30 2aj3 s SER 208 N 0.94 0.19 0.07 1.43 1.04 -1.26 -0.25 113.70 115.85 2aj3 s SER 208 Ca -0.06 -1.20 -0.11 0.00 0.48 0.00 0.00 55.95 55.06 2aj3 s SER 208 Cb -0.15 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.50 2aj3 s SER 208 CO -0.02 -1.05 0.24 0.72 0.98 0.00 0.00 173.24 174.10 2aj3 s PHE 209 N -3.92 0.03 -0.26 5.02 -0.71 -0.90 -5.00 117.98 112.24 2aj3 s PHE 209 Ca 0.30 -0.32 -0.10 0.00 -1.04 0.00 0.00 56.93 55.77 2aj3 s PHE 209 Cb 0.02 0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.80 2aj3 s PHE 209 CO 0.12 -0.51 0.16 -0.80 -1.34 0.00 0.00 175.22 172.86 2aj3 s ASN 210 N -2.42 5.93 -0.27 1.98 0.01 -1.26 -2.05 114.94 116.86 2aj3 s ASN 210 Ca -0.01 -0.00 -0.41 0.00 -0.71 0.00 0.00 52.86 51.73 2aj3 s ASN 210 Cb 0.01 -2.09 -0.19 0.00 0.41 0.00 0.00 41.25 39.40 2aj3 s ASN 210 CO -0.07 -0.01 1.29 -1.14 -1.51 0.00 0.00 177.10 175.66 2aj3 n ARG 211 N 4.81 0.00 -2.89 -0.60 0.63 0.88 -3.10 116.66 116.39 2aj3 n ARG 211 Ca -0.15 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.69 2aj3 n ARG 211 Cb 0.52 -1.41 0.01 0.00 0.45 0.00 0.00 32.46 32.03 2aj3 n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2aj3 n GLY 212 N 2.76 -1.25 0.00 5.14 0.00 -1.26 -5.03 105.19 105.55 2aj3 n GLY 212 Ca 0.25 1.23 0.00 0.00 0.00 0.00 0.00 46.02 47.49 2aj3 n GLY 212 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11