#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 1.79 -0.07 1.96 0.74 -1.26 -4.95 119.66 117.87 2aj3 s GLN 3 Ca 0.00 -1.16 -0.01 0.00 0.05 0.00 0.00 55.36 54.25 2aj3 s GLN 3 Cb 0.00 -2.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.99 2aj3 s GLN 3 CO 0.00 0.49 -0.01 -1.64 -0.55 0.00 0.00 175.29 173.58 2aj3 s MET 4 N -1.90 2.89 -0.20 1.67 -1.94 -1.26 -0.47 119.30 118.10 2aj3 s MET 4 Ca 0.16 -0.48 -0.00 0.00 -1.71 0.00 0.00 55.69 53.66 2aj3 s MET 4 Cb -0.10 -2.73 0.05 0.00 2.01 0.00 0.00 34.83 34.06 2aj3 s MET 4 CO 0.08 0.68 -0.04 0.99 -0.01 0.00 0.00 175.02 176.71 2aj3 s THR 5 N -0.91 1.21 0.10 2.05 2.01 0.30 -4.69 115.64 115.70 2aj3 s THR 5 Ca 0.14 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.32 2aj3 s THR 5 Cb -0.11 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2aj3 s THR 5 CO 0.04 0.01 0.14 -1.58 -0.69 0.00 0.00 174.62 172.54 2aj3 s GLN 6 N 1.57 3.09 -0.19 4.92 0.74 -1.26 0.24 119.66 128.76 2aj3 s GLN 6 Ca -0.02 -0.64 -0.28 0.00 0.05 0.00 0.00 55.36 54.46 2aj3 s GLN 6 Cb -0.17 -2.82 0.12 0.00 1.10 0.00 0.00 33.01 31.24 2aj3 s GLN 6 CO -0.07 0.56 0.96 -1.54 -0.55 0.00 0.00 175.29 174.64 2aj3 s SER 7 N -2.62 -0.45 1.03 6.67 1.04 -0.30 -4.67 113.70 114.41 2aj3 s SER 7 Ca 0.32 0.63 -0.16 0.00 0.48 0.00 0.00 55.95 57.22 2aj3 s SER 7 Cb -0.12 0.56 0.21 0.00 0.10 0.00 0.00 66.02 66.77 2aj3 s SER 7 CO 0.24 -0.31 1.17 -2.16 0.98 0.00 0.00 173.24 173.17 2aj3 s PRO 8 N -0.64 0.15 -0.05 4.02 0.04 -1.26 -1.20 135.00 136.06 2aj3 s PRO 8 Ca -0.01 -0.00 -0.15 0.00 0.04 0.00 0.00 61.00 60.87 2aj3 s PRO 8 Cb -0.02 -1.75 -0.31 0.00 0.04 0.00 0.00 34.50 32.46 2aj3 s PRO 8 CO 0.00 -2.81 0.75 0.77 0.04 0.00 0.00 177.00 175.75 2aj3 h SER 9 N -1.94 0.58 -4.37 6.66 0.02 -1.83 -3.40 113.55 109.28 2aj3 h SER 9 Ca -0.47 -0.91 -0.45 0.00 -0.84 0.00 0.00 61.79 59.11 2aj3 h SER 9 Cb 1.29 -0.19 -0.23 0.00 0.14 0.00 0.00 62.40 63.41 2aj3 h SER 9 CO 0.46 1.66 -0.79 -0.36 -1.14 0.00 0.00 176.83 176.66 2aj3 s PHE 10 N -2.53 1.30 -0.10 3.45 0.08 -1.26 0.24 117.98 119.16 2aj3 s PHE 10 Ca -0.15 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 56.43 2aj3 s PHE 10 Cb 0.04 -0.75 0.03 0.00 -0.57 0.00 0.00 43.02 41.77 2aj3 s PHE 10 CO 0.85 0.06 0.25 -1.17 -0.10 0.00 0.00 175.22 175.10 2aj3 s LEU 11 N -1.44 0.79 -0.27 -0.37 2.96 0.18 -4.89 118.68 115.65 2aj3 s LEU 11 Ca 0.01 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2aj3 s LEU 11 Cb -0.09 0.80 0.05 0.00 0.50 0.00 0.00 46.19 47.46 2aj3 s LEU 11 CO 0.02 -0.12 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.43 2aj3 s SER 12 N 0.59 4.57 0.29 3.68 0.01 -1.26 -1.09 113.70 120.50 2aj3 s SER 12 Ca -0.04 -1.28 0.04 0.00 1.31 0.00 0.00 55.95 55.98 2aj3 s SER 12 Cb -0.05 -1.62 -0.06 0.00 0.21 0.00 0.00 66.02 64.50 2aj3 s SER 12 CO -0.03 -0.21 0.04 0.00 0.41 0.00 0.00 173.24 173.45 2aj3 s ALA 13 N 1.19 2.15 -0.07 1.44 0.00 -0.92 -4.76 121.76 120.78 2aj3 s ALA 13 Ca -0.06 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 49.94 2aj3 s ALA 13 Cb -0.19 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2aj3 s ALA 13 CO -0.04 -0.30 -0.06 -1.12 0.00 0.00 0.00 175.76 174.24 2aj3 s SER 14 N -3.42 4.71 -0.18 0.00 0.01 -1.26 -0.51 113.70 113.05 2aj3 s SER 14 Ca 0.35 -0.00 -0.41 0.00 1.31 0.00 0.00 55.95 57.19 2aj3 s SER 14 Cb 0.08 -1.21 -0.18 0.00 0.21 0.00 0.00 66.02 64.91 2aj3 s SER 14 CO 0.14 0.36 1.47 0.52 0.41 0.00 0.00 173.24 176.13 2aj3 n VAL 15 N 2.23 0.09 0.00 3.43 0.31 -1.26 -0.58 118.33 122.56 2aj3 n VAL 15 Ca -0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2aj3 n VAL 15 Cb 0.53 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 2aj3 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2aj3 n GLY 16 N 3.16 1.95 3.77 2.92 0.00 0.16 -4.84 105.19 112.30 2aj3 n GLY 16 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.68 3.93 -0.19 1.61 1.01 0.26 -3.75 116.67 117.86 2aj3 s ASP 17 Ca 0.00 1.27 -0.09 0.00 0.71 0.00 0.00 52.55 54.43 2aj3 s ASP 17 Cb 0.00 -1.95 -0.05 0.00 1.01 0.00 0.00 42.92 41.93 2aj3 s ASP 17 CO 0.00 -2.32 0.12 -0.60 0.21 0.00 0.00 175.17 172.58 2aj3 s ARG 18 N -5.12 4.11 -0.03 8.23 3.52 -1.26 -0.54 118.95 127.87 2aj3 s ARG 18 Ca 0.62 -0.23 0.07 0.00 -0.13 0.00 0.00 55.73 56.06 2aj3 s ARG 18 Cb -0.16 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 2aj3 s ARG 18 CO 0.55 0.32 -0.24 0.08 -0.81 0.00 0.00 175.30 175.21 2aj3 s VAL 19 N 0.28 1.88 -0.11 7.11 1.01 0.14 -4.96 120.40 125.75 2aj3 s VAL 19 Ca 0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2aj3 s VAL 19 Cb -0.11 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2aj3 s VAL 19 CO -0.01 0.53 -0.04 -0.44 0.00 0.00 0.00 175.10 175.13 2aj3 s SER 20 N -0.43 2.15 -0.23 3.32 0.01 -1.26 0.26 113.70 117.52 2aj3 s SER 20 Ca 0.05 -0.32 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 2aj3 s SER 20 Cb -0.10 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 2aj3 s SER 20 CO 0.00 -0.16 0.02 -0.63 0.41 0.00 0.00 173.24 172.88 2aj3 s ILE 21 N 1.79 3.87 0.09 1.44 1.01 0.27 -4.70 121.20 124.97 2aj3 s ILE 21 Ca 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2aj3 s ILE 21 Cb -0.13 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2aj3 s ILE 21 CO -0.07 0.38 0.22 0.42 0.00 0.00 0.00 174.94 175.89 2aj3 s THR 22 N 1.52 5.31 -0.04 2.92 -4.23 -0.34 -1.01 115.64 119.78 2aj3 s THR 22 Ca 0.06 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 60.04 2aj3 s THR 22 Cb -0.15 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.09 2aj3 s THR 22 CO 0.00 0.06 0.07 0.00 -0.54 0.00 0.00 174.62 174.22 2aj3 s ARG 24 N 2.14 3.21 -0.13 0.00 3.52 0.65 -1.24 118.95 127.10 2aj3 s ARG 24 Ca 0.04 -0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 2aj3 s ARG 24 Cb -0.12 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 2aj3 s ARG 24 CO -0.03 0.70 -0.05 0.00 -0.81 0.00 0.00 175.30 175.10 2aj3 s ALA 25 N -0.84 2.97 0.38 6.12 0.00 0.44 0.11 121.76 130.93 2aj3 s ALA 25 Ca 0.13 -0.84 0.38 0.00 0.00 0.00 0.00 51.96 51.64 2aj3 s ALA 25 Cb -0.12 -1.45 1.98 0.00 0.00 0.00 0.00 23.12 23.53 2aj3 s ALA 25 CO 0.03 0.31 2.17 0.66 0.00 0.00 0.00 175.76 178.93 2aj3 h SER 26 N 6.32 0.00 -5.15 0.00 4.64 -1.09 -3.44 113.55 114.83 2aj3 h SER 26 Ca -0.35 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.84 2aj3 h SER 26 Cb 1.19 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.11 2aj3 h SER 26 CO 0.59 0.00 -0.63 -1.10 -0.87 0.00 0.00 176.83 174.82 2aj3 s GLN 27 N -3.93 0.55 0.08 4.77 -0.21 -1.26 -4.91 119.66 114.76 2aj3 s GLN 27 Ca -0.03 -0.97 -0.31 0.00 0.02 0.00 0.00 55.36 54.07 2aj3 s GLN 27 Cb 0.11 0.20 -0.09 0.00 1.00 0.00 0.00 33.01 34.23 2aj3 s GLN 27 CO 0.41 -0.11 1.77 0.34 -2.12 0.00 0.00 175.29 175.58 2aj3 s ASP 28 N -2.43 6.51 -0.13 5.90 2.15 -1.26 -4.65 116.67 122.76 2aj3 s ASP 28 Ca -0.01 2.62 0.15 0.00 0.43 0.00 0.00 52.55 55.74 2aj3 s ASP 28 Cb 0.02 -2.56 0.32 0.00 -0.30 0.00 0.00 42.92 40.40 2aj3 s ASP 28 CO -0.07 -0.96 1.16 2.30 -0.17 0.00 0.00 175.17 177.43 2aj3 n ILE 29 N 4.88 1.56 0.00 4.11 -5.35 0.30 -5.00 119.36 119.85 2aj3 n ILE 29 Ca 0.17 -2.22 0.00 0.00 -0.27 0.00 0.00 62.75 60.43 2aj3 n ILE 29 Cb 0.40 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 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 -0.91 0.00 -1.37 6.28 1.13 -1.25 -1.00 117.38 120.26 2aj3 n GLN 30 Ca 0.14 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.24 2aj3 n GLN 30 Cb 0.73 0.00 0.04 0.00 0.11 0.00 0.00 30.24 31.12 2aj3 n GLN 30 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2aj3 n LYS 31 N 0.00 0.19 -2.19 -1.09 5.02 -1.26 0.22 118.16 119.04 2aj3 n LYS 31 Ca 0.00 -2.14 -0.42 0.00 -2.02 0.00 0.00 58.31 53.73 2aj3 n LYS 31 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 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 0.30 2.92 -3.80 2.13 3.72 -0.17 -2.96 117.46 119.60 2aj3 n PHE 32 Ca 0.07 -2.82 -0.12 0.00 -0.05 0.00 0.00 57.45 54.53 2aj3 n PHE 32 Cb 1.09 -2.01 -0.11 0.00 -0.94 0.00 0.00 39.48 37.51 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 -0.18 1.15 0.17 4.37 0.20 -1.26 0.32 118.68 123.44 2aj3 s LEU 33 Ca 0.43 0.31 0.03 0.00 0.69 0.00 0.00 54.13 55.58 2aj3 s LEU 33 Cb 0.12 0.85 -0.05 0.00 -0.43 0.00 0.00 46.19 46.68 2aj3 s LEU 33 CO -0.02 -0.18 -0.03 0.00 -0.29 0.00 0.00 176.35 175.83 2aj3 s ALA 34 N -0.33 1.40 -0.05 5.97 0.00 -0.49 -2.02 121.76 126.24 2aj3 s ALA 34 Ca -0.04 -1.56 0.06 0.00 0.00 0.00 0.00 51.96 50.41 2aj3 s ALA 34 Cb -0.03 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 2aj3 s ALA 34 CO 0.01 -0.24 -0.22 -1.58 0.00 0.00 0.00 175.76 173.73 2aj3 s TRP 35 N -3.54 2.15 0.09 0.00 0.52 0.53 -1.19 118.94 117.51 2aj3 s TRP 35 Ca 0.21 -0.61 0.09 0.00 0.02 0.00 0.00 56.10 55.82 2aj3 s TRP 35 Cb 0.05 -1.42 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 2aj3 s TRP 35 CO 0.03 -0.18 -0.24 0.71 0.02 0.00 0.00 176.95 177.29 2aj3 s TYR 36 N -0.14 2.07 -0.20 -1.98 2.02 0.47 -0.42 117.35 119.18 2aj3 s TYR 36 Ca -0.02 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.27 2aj3 s TYR 36 Cb -0.12 -1.16 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2aj3 s TYR 36 CO 0.03 0.22 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.96 2aj3 s GLN 37 N -1.73 3.16 -0.18 -0.62 0.74 0.19 -1.16 119.66 120.06 2aj3 s GLN 37 Ca 0.10 -0.74 -0.02 0.00 0.05 0.00 0.00 55.36 54.76 2aj3 s GLN 37 Cb -0.10 -2.76 -0.00 0.00 1.10 0.00 0.00 33.01 31.24 2aj3 s GLN 37 CO 0.04 -0.20 -0.10 -0.51 -0.55 0.00 0.00 175.29 173.97 2aj3 s LEU 38 N 1.37 2.69 -0.05 3.68 1.02 -0.60 -0.90 118.68 125.89 2aj3 s LEU 38 Ca 0.05 -0.42 0.04 0.00 0.02 0.00 0.00 54.13 53.82 2aj3 s LEU 38 Cb -0.14 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 2aj3 s LEU 38 CO -0.09 0.04 -0.15 -0.89 0.02 0.00 0.00 176.35 175.29 2aj3 s THR 39 N 1.09 3.03 -0.25 5.49 2.01 -1.26 -2.73 115.64 123.02 2aj3 s THR 39 Ca 0.00 -0.73 -0.37 0.00 0.31 0.00 0.00 61.69 60.90 2aj3 s THR 39 Cb -0.15 -2.18 -0.13 0.00 0.01 0.00 0.00 72.50 70.05 2aj3 s THR 39 CO -0.02 0.59 1.93 -2.65 -0.69 0.00 0.00 174.62 173.77 2aj3 n PRO 40 N 2.37 1.43 0.00 4.92 -0.02 -1.26 -1.16 135.00 141.28 2aj3 n PRO 40 Ca -0.17 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2aj3 n PRO 40 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 5.00 1.84 3.65 -1.23 0.00 -1.26 -5.06 105.19 108.13 2aj3 n GLY 41 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.74 4.82 0.38 1.61 1.01 -0.31 -5.09 116.67 117.36 2aj3 s ASP 42 Ca 0.00 -0.23 -0.27 0.00 0.71 0.00 0.00 52.55 52.75 2aj3 s ASP 42 Cb 0.00 -1.09 -0.10 0.00 1.01 0.00 0.00 42.92 42.74 2aj3 s ASP 42 CO 0.00 0.18 1.40 0.00 0.21 0.00 0.00 175.17 176.97 2aj3 s ALA 43 N -1.26 3.45 0.29 5.23 0.00 -1.26 -4.36 121.76 123.84 2aj3 s ALA 43 Ca 0.24 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.33 2aj3 s ALA 43 Cb -0.11 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 2aj3 s ALA 43 CO 0.16 -0.93 1.08 -2.30 0.00 0.00 0.00 175.76 173.77 2aj3 n PRO 44 N 0.38 1.48 -4.70 0.00 -0.02 -1.26 -4.80 135.00 126.09 2aj3 n PRO 44 Ca 0.02 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 2aj3 n PRO 44 Cb 0.41 -1.94 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 2aj3 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2aj3 s LYS 45 N -1.46 3.43 -0.00 -0.52 2.20 -0.08 -4.95 119.74 118.35 2aj3 s LYS 45 Ca 0.60 -0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 55.24 2aj3 s LYS 45 Cb -0.69 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2aj3 s LYS 45 CO 0.59 0.21 1.15 -1.17 -0.36 0.00 0.00 175.35 175.77 2aj3 s LEU 46 N 0.38 4.33 -0.13 5.43 2.96 -1.26 -0.64 118.68 129.75 2aj3 s LEU 46 Ca -0.10 1.85 -0.01 0.00 -0.22 0.00 0.00 54.13 55.66 2aj3 s LEU 46 Cb -0.16 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 2aj3 s LEU 46 CO 0.05 -0.48 -0.13 0.18 -1.32 0.00 0.00 176.35 174.66 2aj3 n LEU 47 N 4.45 2.45 -3.86 -0.68 4.77 0.44 -4.79 117.00 119.78 2aj3 n LEU 47 Ca 0.09 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 2aj3 n LEU 47 Cb 0.47 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 2aj3 n LEU 47 CO 0.55 0.60 -0.14 -0.32 -1.33 0.00 0.00 177.39 176.74 2aj3 s MET 48 N -2.25 0.52 0.17 3.23 0.00 -1.12 -1.75 119.30 118.10 2aj3 s MET 48 Ca -0.17 -0.38 -0.11 0.00 0.00 0.00 0.00 55.69 55.02 2aj3 s MET 48 Cb 0.05 0.22 0.00 0.00 0.00 0.00 0.00 34.83 35.10 2aj3 s MET 48 CO 0.28 -0.13 0.34 1.52 0.00 0.00 0.00 175.02 177.03 2aj3 s TYR 49 N -1.42 0.27 -1.40 4.11 1.13 -0.71 -0.35 117.35 118.98 2aj3 s TYR 49 Ca -0.14 -0.63 -0.04 0.00 -1.41 0.00 0.00 57.07 54.85 2aj3 s TYR 49 Cb -0.07 0.05 0.02 0.00 -1.10 0.00 0.00 41.96 40.86 2aj3 s TYR 49 CO 0.02 -0.77 0.30 0.43 -2.51 0.00 0.00 175.55 173.02 2aj3 n SER 50 N -0.24 -4.93 0.00 -0.18 7.64 -1.00 -1.03 113.62 113.87 2aj3 n SER 50 Ca -0.08 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.67 2aj3 n SER 50 Cb 0.63 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.75 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 -2.90 0.00 0.05 -0.43 0.00 -0.86 -4.00 120.51 112.38 2aj3 n ALA 51 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.32 2aj3 n ALA 51 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 2aj3 n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2aj3 n SER 52 N 0.61 2.10 -4.67 0.00 7.64 -1.17 -2.78 113.62 115.36 2aj3 n SER 52 Ca 0.00 -0.30 -0.43 0.00 1.01 0.00 0.00 58.87 59.15 2aj3 n SER 52 Cb 0.00 1.04 -0.02 0.00 -1.01 0.00 0.00 64.21 64.22 2aj3 n SER 52 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2aj3 s THR 53 N -1.62 4.20 0.06 0.44 2.01 -0.20 -4.44 115.64 116.09 2aj3 s THR 53 Ca 0.00 1.48 -0.30 0.00 0.31 0.00 0.00 61.69 63.18 2aj3 s THR 53 Cb 0.01 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2aj3 s THR 53 CO 0.08 -0.09 1.15 -0.76 -0.69 0.00 0.00 174.62 174.32 2aj3 s LEU 54 N 3.09 4.38 0.35 4.42 1.43 -1.26 -1.74 118.68 129.35 2aj3 s LEU 54 Ca 0.57 1.96 -0.27 0.00 -1.03 0.00 0.00 54.13 55.35 2aj3 s LEU 54 Cb -0.24 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 2aj3 s LEU 54 CO 0.18 -0.41 1.21 -1.58 0.23 0.00 0.00 176.35 175.99 2aj3 s GLN 55 N 0.91 4.27 0.09 1.70 2.00 -0.72 -4.93 119.66 122.98 2aj3 s GLN 55 Ca 0.57 1.98 -0.31 0.00 -2.00 0.00 0.00 55.36 55.60 2aj3 s GLN 55 Cb -0.28 -2.92 -0.09 0.00 0.80 0.00 0.00 33.01 30.52 2aj3 s GLN 55 CO 0.30 -0.18 1.72 -1.54 -0.50 0.00 0.00 175.29 175.08 2aj3 s SER 56 N -0.83 6.54 0.00 6.67 1.04 -1.26 -1.88 113.70 123.99 2aj3 s SER 56 Ca 0.52 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.52 2aj3 s SER 56 Cb -0.35 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.21 2aj3 s SER 56 CO 0.45 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2aj3 n GLY 57 N 4.08 1.58 3.69 7.32 0.00 -1.26 -5.06 105.19 115.54 2aj3 n GLY 57 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.90 3.83 0.58 1.61 1.01 -0.78 -4.98 120.40 119.77 2aj3 s VAL 58 Ca 0.00 1.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.99 2aj3 s VAL 58 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2aj3 s VAL 58 CO 0.00 -0.00 1.19 -0.81 0.00 0.00 0.00 175.10 175.48 2aj3 n PRO 59 N 5.30 1.27 0.23 2.72 -0.04 -1.26 -4.87 135.00 138.34 2aj3 n PRO 59 Ca 0.13 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 2aj3 n PRO 59 Cb 0.44 -2.39 0.65 0.00 -0.04 0.00 0.00 33.50 32.16 2aj3 n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2aj3 h SER 60 N 0.91 0.00 0.33 3.54 4.64 -1.99 -1.91 113.55 119.08 2aj3 h SER 60 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2aj3 h SER 60 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2aj3 h SER 60 CO 0.54 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.39 2aj3 n ARG 61 N -2.44 0.27 -3.55 4.77 1.85 -1.26 -4.56 116.66 111.74 2aj3 n ARG 61 Ca -0.02 0.11 -0.37 0.00 -1.00 0.00 0.00 57.85 56.57 2aj3 n ARG 61 Cb 0.20 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.03 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 -2.55 3.36 -0.00 2.89 0.40 -0.72 -0.79 117.98 120.57 2aj3 s PHE 62 Ca 0.18 0.42 0.07 0.00 -0.60 0.00 0.00 56.93 57.00 2aj3 s PHE 62 Cb 0.12 -2.37 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 2aj3 s PHE 62 CO 0.28 0.07 -0.22 0.45 0.70 0.00 0.00 175.22 176.50 2aj3 s SER 63 N 0.93 2.58 0.06 1.36 0.15 0.19 -4.96 113.70 114.01 2aj3 s SER 63 Ca 0.13 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.42 2aj3 s SER 63 Cb -0.14 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 2aj3 s SER 63 CO 0.05 0.25 -0.20 -0.83 1.20 0.00 0.00 173.24 173.71 2aj3 s GLY 64 N -0.68 1.13 0.15 9.45 0.00 -1.26 0.26 107.32 116.38 2aj3 s GLY 64 Ca 0.08 -1.10 -0.24 0.00 0.00 0.00 0.00 44.72 43.47 2aj3 s GLY 64 CO -0.00 -1.04 0.76 -1.35 0.00 0.00 0.00 173.10 171.47 2aj3 s SER 65 N -1.37 -0.37 0.00 1.64 1.04 -1.04 -4.43 113.70 109.18 2aj3 s SER 65 Ca 0.07 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2aj3 s SER 65 Cb -0.09 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2aj3 s SER 65 CO 0.02 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2aj3 n GLY 66 N -0.39 2.79 3.64 7.32 0.00 -1.26 -1.90 105.19 115.39 2aj3 n GLY 66 Ca -0.10 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.45 0.00 1.61 0.15 -1.24 -4.82 113.70 108.95 2aj3 s SER 67 Ca 0.00 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2aj3 s SER 67 Cb 0.00 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 2aj3 s SER 67 CO 0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2aj3 n GLY 68 N 2.57 1.16 0.00 9.45 0.00 0.13 -4.25 105.19 114.25 2aj3 n GLY 68 Ca -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.87 2.61 -2.24 -1.26 -0.54 114.28 108.98 2aj3 n THR 69 Ca 0.00 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.14 2aj3 n THR 69 Cb 0.00 1.12 -0.17 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.41 1.31 -0.05 -0.78 2.12 -1.26 -0.42 118.70 119.20 2aj3 s GLU 70 Ca 0.00 -0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.00 2aj3 s GLU 70 Cb 0.00 -1.81 -0.01 0.00 0.26 0.00 0.00 34.13 32.57 2aj3 s GLU 70 CO 0.00 -0.40 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.04 2aj3 s PHE 71 N 1.70 2.19 -0.12 5.30 0.08 -0.37 -3.70 117.98 123.07 2aj3 s PHE 71 Ca 0.02 -0.65 -0.01 0.00 0.12 0.00 0.00 56.93 56.42 2aj3 s PHE 71 Cb -0.14 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.88 2aj3 s PHE 71 CO -0.08 -0.20 -0.06 0.99 -0.10 0.00 0.00 175.22 175.77 2aj3 s THR 72 N -0.10 0.96 -0.04 0.64 2.01 -0.80 0.14 115.64 118.45 2aj3 s THR 72 Ca -0.04 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 2aj3 s THR 72 Cb -0.13 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 2aj3 s THR 72 CO 0.03 0.33 0.39 -0.22 -0.69 0.00 0.00 174.62 174.46 2aj3 s LEU 73 N 1.73 4.41 0.02 4.42 2.96 -0.18 -2.49 118.68 129.56 2aj3 s LEU 73 Ca 0.04 0.86 0.02 0.00 -0.22 0.00 0.00 54.13 54.84 2aj3 s LEU 73 Cb -0.13 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 2aj3 s LEU 73 CO -0.08 0.25 -0.07 0.42 -1.32 0.00 0.00 176.35 175.55 2aj3 s THR 74 N -0.60 0.54 -0.16 3.68 -4.23 0.14 -0.56 115.64 114.44 2aj3 s THR 74 Ca 0.23 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.99 2aj3 s THR 74 Cb -0.16 -0.54 0.02 0.00 1.34 0.00 0.00 72.50 73.16 2aj3 s THR 74 CO 0.11 -0.17 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.25 2aj3 s ILE 75 N -0.87 1.68 -0.31 2.99 1.01 0.14 0.53 121.20 126.37 2aj3 s ILE 75 Ca -0.05 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 2aj3 s ILE 75 Cb -0.07 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 2aj3 s ILE 75 CO 0.00 0.43 0.33 -0.44 0.00 0.00 0.00 174.94 175.27 2aj3 s SER 76 N 1.43 6.17 -0.20 3.58 0.01 0.03 0.29 113.70 125.01 2aj3 s SER 76 Ca 0.04 -0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 2aj3 s SER 76 Cb -0.13 -2.19 -0.00 0.00 0.21 0.00 0.00 66.02 63.91 2aj3 s SER 76 CO -0.11 -0.25 0.18 0.61 0.41 0.00 0.00 173.24 174.09 2aj3 n GLY 77 N 4.91 -0.33 3.48 3.44 0.00 0.30 -4.80 105.19 112.20 2aj3 n GLY 77 Ca -0.10 -0.04 -0.47 0.00 0.00 0.00 0.00 46.02 45.41 2aj3 n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aj3 n LEU 78 N -1.35 0.09 -4.59 0.99 4.77 -0.13 -4.35 117.00 112.45 2aj3 n LEU 78 Ca -0.00 1.15 -0.26 0.00 -0.03 0.00 0.00 56.01 56.86 2aj3 n LEU 78 Cb 0.51 -1.10 -0.09 0.00 -2.33 0.00 0.00 43.42 40.41 2aj3 n LEU 78 CO 0.13 -2.28 -0.39 -1.10 -1.33 0.00 0.00 177.39 172.41 2aj3 s GLN 79 N -1.23 2.11 0.32 3.23 -1.52 -1.26 -0.67 119.66 120.65 2aj3 s GLN 79 Ca 0.62 -1.27 0.09 0.00 -1.95 0.00 0.00 55.36 52.85 2aj3 s GLN 79 Cb -0.83 -2.18 0.88 0.00 -0.22 0.00 0.00 33.01 30.66 2aj3 s GLN 79 CO 0.58 0.43 1.73 -1.35 -0.25 0.00 0.00 175.29 176.42 2aj3 h PRO 80 N 2.78 0.55 0.00 2.91 0.11 -1.99 0.33 132.00 136.68 2aj3 h PRO 80 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2aj3 h PRO 80 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2aj3 h PRO 80 CO 0.55 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 177.86 2aj3 n GLU 81 N -4.90 0.39 0.00 1.05 0.00 -1.26 -3.16 120.64 112.76 2aj3 n GLU 81 Ca 0.27 0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.60 2aj3 n GLU 81 Cb 0.75 -1.50 0.62 0.00 0.00 0.00 0.00 31.44 31.31 2aj3 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2aj3 n ASP 82 N -1.27 0.30 -4.58 -1.84 8.00 0.12 -4.72 116.55 112.55 2aj3 n ASP 82 Ca 0.13 -0.32 -0.43 0.00 0.71 0.00 0.00 54.79 54.88 2aj3 n ASP 82 Cb 0.21 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.60 2.97 0.00 1.24 0.40 -1.19 -4.89 117.98 113.92 2aj3 s PHE 83 Ca 0.26 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 2aj3 s PHE 83 Cb 0.20 -3.86 0.00 0.00 0.51 0.00 0.00 43.02 39.87 2aj3 s PHE 83 CO 0.49 -1.01 0.00 0.00 0.70 0.00 0.00 175.22 175.40 2aj3 n ALA 84 N 7.03 0.00 -2.73 5.36 0.00 -1.19 -4.96 120.51 124.02 2aj3 n ALA 84 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 2aj3 n ALA 84 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 2aj3 n ALA 84 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2aj3 s THR 85 N -2.38 4.31 0.06 0.00 -4.23 -1.10 -1.07 115.64 111.23 2aj3 s THR 85 Ca 0.00 -0.81 0.08 0.00 -1.18 0.00 0.00 61.69 59.78 2aj3 s THR 85 Cb 0.00 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 2aj3 s THR 85 CO 0.00 0.17 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.72 2aj3 s TYR 86 N -1.31 1.85 -0.01 3.99 1.51 0.04 -1.55 117.35 121.87 2aj3 s TYR 86 Ca 0.26 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 2aj3 s TYR 86 Cb -0.12 -1.08 0.01 0.00 -0.11 0.00 0.00 41.96 40.65 2aj3 s TYR 86 CO 0.19 0.12 -0.03 0.71 -1.11 0.00 0.00 175.55 175.43 2aj3 s TYR 87 N -0.88 0.35 0.08 2.71 1.51 -0.31 -1.22 117.35 119.58 2aj3 s TYR 87 Ca 0.08 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 2aj3 s TYR 87 Cb -0.09 -0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 41.44 2aj3 s TYR 87 CO 0.02 -0.04 0.24 0.00 -1.11 0.00 0.00 175.55 174.66 2aj3 s GLN 89 N -2.65 0.25 0.05 0.00 0.74 -0.33 0.13 119.66 117.86 2aj3 s GLN 89 Ca 0.35 -0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.65 2aj3 s GLN 89 Cb -0.13 -0.26 -0.04 0.00 1.10 0.00 0.00 33.01 33.68 2aj3 s GLN 89 CO 0.28 0.05 0.23 -3.38 -0.55 0.00 0.00 175.29 171.92 2aj3 s HIS 90 N 0.02 3.52 -0.20 1.67 -3.43 -0.60 -1.39 115.29 114.89 2aj3 s HIS 90 Ca 0.00 0.34 0.14 0.00 -0.80 0.00 0.00 55.06 54.74 2aj3 s HIS 90 Cb -0.02 -1.83 0.44 0.00 -1.43 0.00 0.00 32.58 29.74 2aj3 s HIS 90 CO -0.00 0.58 1.19 1.28 -2.00 0.00 0.00 174.74 175.79 2aj3 n LEU 91 N 0.47 2.84 0.12 5.38 7.99 0.15 -4.04 117.00 129.91 2aj3 n LEU 91 Ca -0.06 -3.69 -0.05 0.00 -0.01 0.00 0.00 56.01 52.20 2aj3 n LEU 91 Cb 0.52 -0.29 -0.02 0.00 -0.11 0.00 0.00 43.42 43.51 2aj3 n LEU 91 CO 0.49 1.38 0.25 0.50 -1.51 0.00 0.00 177.39 178.50 2aj3 h LYS 92 N 1.44 -0.33 -2.47 3.23 1.63 -1.90 -3.47 116.57 114.70 2aj3 h LYS 92 Ca 0.04 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.77 2aj3 h LYS 92 Cb 1.32 0.07 -0.21 0.00 -0.60 0.00 0.00 32.23 32.81 2aj3 h LYS 92 CO 0.22 -0.22 -0.06 -0.98 -3.45 0.00 0.00 179.45 174.96 2aj3 s ARG 93 N -2.84 0.74 0.45 1.90 1.70 -1.26 -5.14 118.95 114.50 2aj3 s ARG 93 Ca -0.05 0.41 -0.24 0.00 -0.47 0.00 0.00 55.73 55.38 2aj3 s ARG 93 Cb 0.00 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 2aj3 s ARG 93 CO 0.15 -0.16 1.19 0.66 -1.08 0.00 0.00 175.30 176.06 2aj3 n TYR 94 N 1.98 1.82 -2.96 5.89 4.01 -1.26 -4.12 117.16 122.52 2aj3 n TYR 94 Ca -0.17 0.50 -0.37 0.00 -0.16 0.00 0.00 57.90 57.70 2aj3 n TYR 94 Cb 0.56 -2.32 -0.06 0.00 -0.31 0.00 0.00 39.34 37.21 2aj3 n TYR 94 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2aj3 s PRO 95 N -2.28 4.46 0.43 -0.72 0.04 -1.26 -5.14 135.00 130.53 2aj3 s PRO 95 Ca 0.64 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 62.56 2aj3 s PRO 95 Cb -0.50 -2.97 -0.09 0.00 0.04 0.00 0.00 34.50 30.97 2aj3 s PRO 95 CO 0.56 0.41 1.01 0.71 0.04 0.00 0.00 177.00 179.73 2aj3 s TYR 96 N -1.44 3.24 0.02 0.56 2.02 -1.26 -5.01 117.35 115.47 2aj3 s TYR 96 Ca 0.43 1.63 -0.01 0.00 -0.37 0.00 0.00 57.07 58.75 2aj3 s TYR 96 Cb -0.19 -3.02 -0.02 0.00 -0.40 0.00 0.00 41.96 38.34 2aj3 s TYR 96 CO 0.24 -0.47 -0.00 0.95 -1.57 0.00 0.00 175.55 174.70 2aj3 s THR 97 N -1.88 0.10 0.32 -0.71 -4.23 -1.26 -5.01 115.64 102.97 2aj3 s THR 97 Ca 0.61 -0.80 0.08 0.00 -1.18 0.00 0.00 61.69 60.40 2aj3 s THR 97 Cb -0.17 -0.27 -0.03 0.00 1.34 0.00 0.00 72.50 73.38 2aj3 s THR 97 CO 0.21 -0.44 0.24 -0.36 -0.54 0.00 0.00 174.62 173.73 2aj3 s PHE 98 N -1.32 2.90 0.84 3.99 0.40 -1.26 -1.55 117.98 121.97 2aj3 s PHE 98 Ca -0.14 -0.28 -0.11 0.00 -0.60 0.00 0.00 56.93 55.79 2aj3 s PHE 98 Cb -0.09 -1.69 0.09 0.00 0.51 0.00 0.00 43.02 41.85 2aj3 s PHE 98 CO -0.01 0.28 1.09 0.20 0.70 0.00 0.00 175.22 177.48 2aj3 s GLY 99 N -3.94 1.63 0.00 4.36 0.00 0.35 -4.80 107.32 104.92 2aj3 s GLY 99 Ca 0.39 -0.06 0.14 0.00 0.00 0.00 0.00 44.72 45.18 2aj3 s GLY 99 CO 0.25 0.38 1.31 0.61 0.00 0.00 0.00 173.10 175.65 2aj3 n GLN 100 N -3.65 0.29 0.00 2.90 -0.00 -1.26 -4.64 117.38 111.02 2aj3 n GLN 100 Ca 0.07 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 57.17 2aj3 n GLN 100 Cb 0.55 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.29 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 -0.14 0.19 2.82 2.61 0.00 -1.26 -5.04 105.19 104.37 2aj3 n GLY 101 Ca 0.08 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.96 0.36 -0.23 2.61 2.01 -0.36 -4.51 115.64 112.57 2aj3 s THR 102 Ca 0.00 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 2aj3 s THR 102 Cb 0.00 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 2aj3 s THR 102 CO 0.00 0.21 0.09 -0.75 -0.69 0.00 0.00 174.62 173.49 2aj3 s LYS 103 N 1.37 3.86 -0.44 4.92 2.20 0.14 -0.78 119.74 131.00 2aj3 s LYS 103 Ca -0.04 -0.39 -0.10 0.00 -0.36 0.00 0.00 55.97 55.08 2aj3 s LYS 103 Cb -0.13 -3.35 0.09 0.00 -1.51 0.00 0.00 37.83 32.92 2aj3 s LYS 103 CO -0.02 0.01 0.30 -1.17 -0.36 0.00 0.00 175.35 174.10 2aj3 s LEU 104 N 1.11 5.33 0.09 5.43 2.96 -0.23 -0.65 118.68 132.72 2aj3 s LEU 104 Ca 0.05 -1.56 0.03 0.00 -0.22 0.00 0.00 54.13 52.43 2aj3 s LEU 104 Cb -0.14 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2aj3 s LEU 104 CO 0.04 -0.59 0.10 -1.83 -1.32 0.00 0.00 176.35 172.75 2aj3 s GLU 105 N 1.44 2.92 0.14 1.98 4.04 -0.25 -3.19 118.70 125.78 2aj3 s GLU 105 Ca 0.04 -0.70 -0.30 0.00 0.04 0.00 0.00 54.97 54.04 2aj3 s GLU 105 Cb -0.24 -2.74 -0.07 0.00 0.02 0.00 0.00 34.13 31.11 2aj3 s GLU 105 CO 0.02 0.56 1.17 0.42 -1.84 0.00 0.00 175.26 175.58 2aj3 s ILE 106 N -1.45 3.84 0.49 1.83 1.01 -1.26 -2.17 121.20 123.49 2aj3 s ILE 106 Ca 0.30 1.47 -0.19 0.00 0.00 0.00 0.00 60.65 62.23 2aj3 s ILE 106 Cb -0.12 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 2aj3 s ILE 106 CO 0.23 0.20 1.00 -0.55 0.00 0.00 0.00 174.94 175.81 2aj3 s SER 107 N 0.38 6.52 0.22 3.58 0.15 0.33 -4.83 113.70 120.06 2aj3 s SER 107 Ca 0.54 1.75 -0.22 0.00 0.70 0.00 0.00 55.95 58.72 2aj3 s SER 107 Cb -0.30 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.52 2aj3 s SER 107 CO 0.33 -0.65 0.87 -0.60 1.20 0.00 0.00 173.24 174.39 2aj3 s ARG 108 N -3.52 1.52 0.38 5.44 3.52 -1.26 -4.86 118.95 120.17 2aj3 s ARG 108 Ca 0.63 -0.87 -0.25 0.00 -0.13 0.00 0.00 55.73 55.11 2aj3 s ARG 108 Cb -0.12 0.50 -0.09 0.00 -1.56 0.00 0.00 34.95 33.67 2aj3 s ARG 108 CO 0.23 -0.70 1.08 0.95 -0.81 0.00 0.00 175.30 176.04 2aj3 s THR 109 N -3.28 3.59 0.20 4.11 -4.23 -1.26 -4.96 115.64 109.81 2aj3 s THR 109 Ca 0.13 1.30 -0.33 0.00 -1.18 0.00 0.00 61.69 61.61 2aj3 s THR 109 Cb -0.03 -3.71 -0.13 0.00 1.34 0.00 0.00 72.50 69.96 2aj3 s THR 109 CO 0.05 0.08 1.55 0.52 -0.54 0.00 0.00 174.62 176.28 2aj3 n VAL 110 N 0.16 0.35 -3.90 2.29 0.31 -1.26 -4.80 118.33 111.48 2aj3 n VAL 110 Ca 0.04 -0.09 -0.23 0.00 -0.01 0.00 0.00 64.34 64.05 2aj3 n VAL 110 Cb 0.48 -1.60 -0.17 0.00 -0.91 0.00 0.00 33.84 31.64 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 0.58 0.85 0.39 3.52 0.00 0.24 -4.95 121.76 122.40 2aj3 s ALA 111 Ca 0.74 -0.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 2aj3 s ALA 111 Cb -0.64 -0.72 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 2aj3 s ALA 111 CO 0.41 -0.35 1.18 0.00 0.00 0.00 0.00 175.76 177.01 2aj3 s ALA 112 N 1.68 3.21 0.39 0.00 0.00 -1.26 -1.25 121.76 124.52 2aj3 s ALA 112 Ca 0.01 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 2aj3 s ALA 112 Cb -0.13 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 2aj3 s ALA 112 CO -0.05 -0.52 0.92 -1.25 0.00 0.00 0.00 175.76 174.86 2aj3 s PRO 113 N -2.19 4.27 -0.02 0.00 0.04 -1.26 -4.66 135.00 131.18 2aj3 s PRO 113 Ca 0.55 1.10 -0.23 0.00 0.04 0.00 0.00 61.00 62.47 2aj3 s PRO 113 Cb -0.32 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 2aj3 s PRO 113 CO 0.40 0.06 0.69 -1.12 0.04 0.00 0.00 177.00 177.07 2aj3 s SER 114 N -2.07 7.05 -0.23 6.66 0.01 -0.95 -4.83 113.70 119.34 2aj3 s SER 114 Ca 0.58 1.25 -0.05 0.00 1.31 0.00 0.00 55.95 59.04 2aj3 s SER 114 Cb -0.11 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 2aj3 s SER 114 CO 0.16 -0.01 0.01 -0.69 0.41 0.00 0.00 173.24 173.11 2aj3 s VAL 115 N 0.26 3.85 -0.04 3.43 1.01 -1.26 -0.37 120.40 127.29 2aj3 s VAL 115 Ca 0.36 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2aj3 s VAL 115 Cb -0.19 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 2aj3 s VAL 115 CO 0.19 0.39 -0.16 -0.36 0.00 0.00 0.00 175.10 175.16 2aj3 s PHE 116 N 1.44 1.60 -0.07 5.22 0.08 0.44 -4.97 117.98 121.72 2aj3 s PHE 116 Ca 0.05 -0.46 0.04 0.00 0.12 0.00 0.00 56.93 56.68 2aj3 s PHE 116 Cb -0.15 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 2aj3 s PHE 116 CO 0.00 -0.16 -0.19 -1.50 -0.10 0.00 0.00 175.22 173.27 2aj3 s ILE 117 N 0.08 2.57 -0.21 0.64 2.07 -1.26 0.82 121.20 125.90 2aj3 s ILE 117 Ca -0.04 -0.88 0.02 0.00 -1.41 0.00 0.00 60.65 58.34 2aj3 s ILE 117 Cb -0.11 -1.99 0.04 0.00 0.13 0.00 0.00 42.46 40.53 2aj3 s ILE 117 CO 0.02 0.57 -0.15 -0.36 -1.91 0.00 0.00 174.94 173.11 2aj3 s PHE 118 N -0.26 2.91 0.98 3.50 0.08 0.82 -5.01 117.98 121.01 2aj3 s PHE 118 Ca 0.00 -1.90 -0.13 0.00 0.12 0.00 0.00 56.93 55.03 2aj3 s PHE 118 Cb -0.13 -1.88 0.18 0.00 -0.57 0.00 0.00 43.02 40.62 2aj3 s PHE 118 CO 0.03 -0.83 1.11 -2.14 -0.10 0.00 0.00 175.22 173.29 2aj3 s PRO 119 N 1.23 0.57 0.30 0.24 0.02 -1.26 -1.16 135.00 134.95 2aj3 s PRO 119 Ca -0.01 0.40 -0.29 0.00 0.02 0.00 0.00 61.00 61.11 2aj3 s PRO 119 Cb -0.16 -1.76 -0.13 0.00 0.02 0.00 0.00 34.50 32.46 2aj3 s PRO 119 CO -0.09 -2.61 1.24 -2.30 -0.33 0.00 0.00 177.00 172.91 2aj3 n PRO 120 N -4.07 1.88 -1.63 5.54 -0.02 -1.20 -4.78 135.00 130.72 2aj3 n PRO 120 Ca 0.06 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 2aj3 n PRO 120 Cb 0.58 -2.20 0.05 0.00 -0.02 0.00 0.00 33.50 31.91 2aj3 n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2aj3 s SER 121 N -0.24 5.31 0.21 2.55 1.04 -1.26 -4.88 113.70 116.43 2aj3 s SER 121 Ca 0.59 1.49 -0.10 0.00 0.48 0.00 0.00 55.95 58.42 2aj3 s SER 121 Cb -0.63 -2.36 0.16 0.00 0.10 0.00 0.00 66.02 63.29 2aj3 s SER 121 CO 0.59 -1.47 1.88 0.44 0.98 0.00 0.00 173.24 175.65 2aj3 h ASP 122 N -0.74 0.88 -0.13 7.02 5.19 -1.99 -1.66 116.42 124.99 2aj3 h ASP 122 Ca -0.45 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2aj3 h ASP 122 Cb 1.22 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 2aj3 h ASP 122 CO 0.58 0.65 0.08 -0.08 -3.12 0.00 0.00 179.24 177.35 2aj3 h GLU 123 N 1.03 0.18 -0.44 3.56 4.81 -2.02 -2.89 114.58 118.81 2aj3 h GLU 123 Ca 0.28 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 2aj3 h GLU 123 Cb -0.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2aj3 h GLU 123 CO -0.06 0.17 0.12 0.37 -0.73 0.00 0.00 179.01 178.88 2aj3 h GLN 124 N 0.14 0.65 0.00 1.92 4.15 -1.84 -2.62 115.11 117.52 2aj3 h GLN 124 Ca 0.05 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2aj3 h GLN 124 Cb 0.04 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.62 2aj3 h GLN 124 CO -0.01 0.58 0.00 1.28 -1.93 0.00 0.00 178.83 178.76 2aj3 n LEU 125 N -4.32 0.01 0.18 -2.39 4.77 -0.65 -1.26 117.00 113.34 2aj3 n LEU 125 Ca 0.03 0.50 0.09 0.00 -0.03 0.00 0.00 56.01 56.61 2aj3 n LEU 125 Cb 0.19 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.88 2aj3 n LEU 125 CO 0.38 -0.31 0.57 0.11 -1.33 0.00 0.00 177.39 176.81 2aj3 h LYS 126 N 0.00 0.00 0.01 3.23 1.57 -1.46 -3.34 116.57 116.57 2aj3 h LYS 126 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2aj3 h LYS 126 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2aj3 h LYS 126 CO 0.00 0.12 -0.87 0.66 -0.57 0.00 0.00 179.45 178.78 2aj3 h SER 127 N 0.00 0.12 0.00 0.86 4.64 -1.31 -3.48 113.55 114.39 2aj3 h SER 127 Ca -0.01 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2aj3 h SER 127 Cb 1.11 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2aj3 h SER 127 CO 0.02 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 2aj3 n GLY 128 N 0.91 0.86 3.00 -0.77 0.00 -1.25 -5.07 105.19 102.87 2aj3 n GLY 128 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 2aj3 n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aj3 s THR 129 N -2.00 0.45 -0.05 2.61 2.01 -1.26 -1.34 115.64 116.06 2aj3 s THR 129 Ca 0.00 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.51 2aj3 s THR 129 Cb 0.00 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 2aj3 s THR 129 CO 0.00 -0.07 -0.21 0.00 -0.69 0.00 0.00 174.62 173.65 2aj3 s ALA 130 N -0.59 1.84 -0.17 7.40 0.00 0.25 -4.33 121.76 126.16 2aj3 s ALA 130 Ca -0.03 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.09 2aj3 s ALA 130 Cb -0.05 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2aj3 s ALA 130 CO 0.00 0.34 -0.20 -1.12 0.00 0.00 0.00 175.76 174.78 2aj3 s SER 131 N -0.03 3.06 -0.18 0.00 0.01 -1.26 -1.20 113.70 114.11 2aj3 s SER 131 Ca -0.04 -0.62 -0.09 0.00 1.31 0.00 0.00 55.95 56.51 2aj3 s SER 131 Cb -0.13 -1.43 -0.05 0.00 0.21 0.00 0.00 66.02 64.62 2aj3 s SER 131 CO 0.03 0.00 0.11 -0.69 0.41 0.00 0.00 173.24 173.11 2aj3 s VAL 132 N 1.24 5.24 -0.05 3.43 1.01 0.53 -3.27 120.40 128.54 2aj3 s VAL 132 Ca 0.03 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.19 2aj3 s VAL 132 Cb -0.13 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2aj3 s VAL 132 CO -0.11 0.49 -0.22 -0.69 0.00 0.00 0.00 175.10 174.57 2aj3 s VAL 133 N 0.04 2.34 -0.10 2.92 1.01 -0.30 -0.44 120.40 125.87 2aj3 s VAL 133 Ca 0.08 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2aj3 s VAL 133 Cb -0.12 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 2aj3 s VAL 133 CO -0.00 0.57 -0.22 0.00 0.00 0.00 0.00 175.10 175.45 2aj3 s LEU 135 N 0.34 2.60 -0.43 0.00 2.96 0.24 -1.66 118.68 122.72 2aj3 s LEU 135 Ca -0.18 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 2aj3 s LEU 135 Cb -0.18 -1.61 0.11 0.00 0.50 0.00 0.00 46.19 45.01 2aj3 s LEU 135 CO 0.08 0.07 0.27 -0.76 -1.32 0.00 0.00 176.35 174.69 2aj3 s LEU 136 N 0.93 5.37 -0.10 -0.68 1.02 -0.23 -0.42 118.68 124.56 2aj3 s LEU 136 Ca -0.02 -1.84 -0.14 0.00 0.02 0.00 0.00 54.13 52.15 2aj3 s LEU 136 Cb -0.15 -1.93 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 2aj3 s LEU 136 CO -0.01 -0.60 0.33 0.21 0.02 0.00 0.00 176.35 176.31 2aj3 s ASN 137 N 2.22 6.58 -0.80 2.29 3.04 0.50 -1.14 114.94 127.64 2aj3 s ASN 137 Ca 0.06 0.69 -0.01 0.00 0.04 0.00 0.00 52.86 53.63 2aj3 s ASN 137 Cb -0.24 -2.20 0.00 0.00 -1.54 0.00 0.00 41.25 37.27 2aj3 s ASN 137 CO -0.01 0.20 0.62 0.59 -3.04 0.00 0.00 177.10 175.46 2aj3 n ASN 138 N 2.82 -5.43 -4.71 -4.21 3.02 -0.90 -2.23 115.26 103.61 2aj3 n ASN 138 Ca -0.13 -0.77 -0.31 0.00 -0.03 0.00 0.00 54.58 53.35 2aj3 n ASN 138 Cb 0.52 -2.36 -0.09 0.00 -0.61 0.00 0.00 39.78 37.24 2aj3 n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2aj3 s PHE 139 N -2.94 2.12 -0.29 3.10 -0.12 0.44 -4.67 117.98 115.61 2aj3 s PHE 139 Ca 0.02 -0.84 -0.22 0.00 -0.05 0.00 0.00 56.93 55.84 2aj3 s PHE 139 Cb -0.00 -1.69 0.16 0.00 -0.63 0.00 0.00 43.02 40.86 2aj3 s PHE 139 CO 0.87 0.29 1.19 -0.47 -0.05 0.00 0.00 175.22 177.05 2aj3 s TYR 140 N -2.81 -0.29 1.17 3.49 6.14 -0.38 -1.23 117.35 123.44 2aj3 s TYR 140 Ca 0.18 0.67 -0.13 0.00 0.64 0.00 0.00 57.07 58.43 2aj3 s TYR 140 Cb 0.05 0.36 0.29 0.00 0.42 0.00 0.00 41.96 43.07 2aj3 s TYR 140 CO 0.09 -0.14 1.03 -1.25 0.64 0.00 0.00 175.55 175.92 2aj3 s PRO 141 N 0.47 -0.98 0.36 4.97 0.04 -1.26 0.83 135.00 139.43 2aj3 s PRO 141 Ca 0.01 0.74 0.06 0.00 0.04 0.00 0.00 61.00 61.85 2aj3 s PRO 141 Cb -0.04 -1.55 0.73 0.00 0.04 0.00 0.00 34.50 33.67 2aj3 s PRO 141 CO -0.12 -3.74 1.95 -0.09 0.04 0.00 0.00 177.00 175.05 2aj3 h ARG 142 N -2.63 0.75 -6.60 4.56 2.43 -1.98 -3.43 114.38 107.48 2aj3 h ARG 142 Ca -0.62 -0.05 -0.52 0.00 -0.81 0.00 0.00 59.98 57.99 2aj3 h ARG 142 Cb 1.34 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2aj3 h ARG 142 CO 0.51 0.50 0.43 -1.83 -1.51 0.00 0.00 179.97 178.07 2aj3 s GLU 143 N -5.69 4.63 -0.27 0.20 1.03 -1.26 -5.01 118.70 112.32 2aj3 s GLU 143 Ca -0.10 1.60 -0.16 0.00 0.03 0.00 0.00 54.97 56.35 2aj3 s GLU 143 Cb 0.20 -3.33 0.08 0.00 -0.80 0.00 0.00 34.13 30.27 2aj3 s GLU 143 CO 0.78 0.11 0.66 0.00 -1.33 0.00 0.00 175.26 175.47 2aj3 s ALA 144 N -0.01 -1.78 -0.21 -0.84 0.00 -1.26 -4.72 121.76 112.93 2aj3 s ALA 144 Ca 0.49 2.32 -0.09 0.00 0.00 0.00 0.00 51.96 54.67 2aj3 s ALA 144 Cb -0.27 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 2aj3 s ALA 144 CO 0.32 -0.37 0.12 0.21 0.00 0.00 0.00 175.76 176.04 2aj3 s LYS 145 N 1.56 4.07 -0.21 0.00 2.20 -0.70 -4.95 119.74 121.72 2aj3 s LYS 145 Ca -0.10 -0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 55.16 2aj3 s LYS 145 Cb -0.05 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2aj3 s LYS 145 CO -0.18 0.19 0.06 0.08 -0.36 0.00 0.00 175.35 175.13 2aj3 s VAL 146 N 0.65 4.53 -0.11 4.02 1.01 -1.26 -1.52 120.40 127.72 2aj3 s VAL 146 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2aj3 s VAL 146 Cb -0.12 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2aj3 s VAL 146 CO 0.01 0.41 -0.17 -1.10 0.00 0.00 0.00 175.10 174.25 2aj3 s GLN 147 N 0.89 2.46 0.02 2.72 -0.21 0.01 -4.98 119.66 120.57 2aj3 s GLN 147 Ca 0.03 -0.65 -0.16 0.00 0.02 0.00 0.00 55.36 54.61 2aj3 s GLN 147 Cb -0.14 -2.04 -0.06 0.00 1.00 0.00 0.00 33.01 31.78 2aj3 s GLN 147 CO 0.03 -0.03 0.44 -1.58 -2.12 0.00 0.00 175.29 172.03 2aj3 s TRP 148 N 0.89 3.74 -0.04 0.91 0.52 -1.26 -0.51 118.94 123.19 2aj3 s TRP 148 Ca -0.08 1.05 0.01 0.00 0.02 0.00 0.00 56.10 57.10 2aj3 s TRP 148 Cb -0.15 -2.33 0.02 0.00 -1.15 0.00 0.00 33.47 29.86 2aj3 s TRP 148 CO -0.01 0.63 -0.04 0.15 0.02 0.00 0.00 176.95 177.70 2aj3 s LYS 149 N -1.11 0.71 -0.28 4.98 1.02 -0.65 -0.78 119.74 123.63 2aj3 s LYS 149 Ca 0.25 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.16 2aj3 s LYS 149 Cb -0.17 -0.74 0.06 0.00 -0.52 0.00 0.00 37.83 36.46 2aj3 s LYS 149 CO 0.15 -0.06 -0.05 0.08 -0.92 0.00 0.00 175.35 174.55 2aj3 s VAL 150 N 0.78 2.45 -1.59 3.17 1.01 -0.18 -0.67 120.40 125.36 2aj3 s VAL 150 Ca -0.10 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.22 2aj3 s VAL 150 Cb -0.13 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2aj3 s VAL 150 CO -0.00 -0.13 0.08 0.47 0.00 0.00 0.00 175.10 175.51 2aj3 n ASP 151 N 4.47 -5.49 0.00 3.32 8.00 0.13 -2.01 116.55 124.97 2aj3 n ASP 151 Ca -0.11 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2aj3 n ASP 151 Cb 0.42 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.01 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 -1.68 0.00 -4.77 -2.24 5.15 -1.26 -5.01 115.26 105.45 2aj3 n ASN 152 Ca -0.21 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.39 2aj3 n ASN 152 Cb 0.66 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.86 2aj3 n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aj3 s ALA 153 N -3.30 3.51 -0.08 5.20 0.00 -0.85 -5.01 121.76 121.23 2aj3 s ALA 153 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 2aj3 s ALA 153 Cb 0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 2aj3 s ALA 153 CO 0.00 0.21 1.21 -1.17 0.00 0.00 0.00 175.76 176.01 2aj3 s LEU 154 N -0.34 4.26 0.54 0.00 2.96 -1.26 -1.02 118.68 123.82 2aj3 s LEU 154 Ca 0.30 1.79 -0.06 0.00 -0.22 0.00 0.00 54.13 55.95 2aj3 s LEU 154 Cb -0.18 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 2aj3 s LEU 154 CO 0.17 -0.62 0.85 -1.10 -1.32 0.00 0.00 176.35 174.33 2aj3 s GLN 155 N 2.45 3.22 -0.29 1.98 -1.52 0.04 -4.97 119.66 120.58 2aj3 s GLN 155 Ca 0.56 0.10 -0.21 0.00 -1.95 0.00 0.00 55.36 53.85 2aj3 s GLN 155 Cb -0.24 -2.32 0.14 0.00 -0.22 0.00 0.00 33.01 30.37 2aj3 s GLN 155 CO 0.20 -0.46 1.08 -1.54 -0.25 0.00 0.00 175.29 174.32 2aj3 s SER 156 N -4.21 -0.40 0.00 5.90 1.04 -1.26 -4.67 113.70 110.10 2aj3 s SER 156 Ca 0.51 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2aj3 s SER 156 Cb -0.10 0.91 0.00 0.00 0.10 0.00 0.00 66.02 66.92 2aj3 s SER 156 CO 0.45 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2aj3 n GLY 157 N 2.73 2.37 1.10 7.32 0.00 -1.26 -4.87 105.19 112.58 2aj3 n GLY 157 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.38 -3.82 1.61 0.23 -1.26 -4.99 115.26 109.40 2aj3 n ASN 158 Ca 0.00 -3.80 -0.10 0.00 -0.53 0.00 0.00 54.58 50.15 2aj3 n ASN 158 Cb 0.00 -0.62 -0.08 0.00 -2.08 0.00 0.00 39.78 37.00 2aj3 n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2aj3 s SER 159 N -2.62 0.02 0.09 0.53 1.04 -1.26 -1.31 113.70 110.19 2aj3 s SER 159 Ca 0.44 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 2aj3 s SER 159 Cb 0.40 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 2aj3 s SER 159 CO -0.01 -0.64 0.05 -1.10 0.98 0.00 0.00 173.24 172.51 2aj3 s GLN 160 N -3.07 0.79 0.08 4.02 -0.21 -0.68 -4.95 119.66 115.63 2aj3 s GLN 160 Ca -0.01 -1.27 -0.14 0.00 0.02 0.00 0.00 55.36 53.96 2aj3 s GLN 160 Cb 0.01 0.25 0.02 0.00 1.00 0.00 0.00 33.01 34.29 2aj3 s GLN 160 CO -0.07 -0.20 0.33 -1.83 -2.12 0.00 0.00 175.29 171.40 2aj3 s GLU 161 N -3.96 0.92 0.07 2.91 -1.05 -1.26 -0.34 118.70 115.98 2aj3 s GLU 161 Ca 0.14 -0.65 0.01 0.00 -0.15 0.00 0.00 54.97 54.32 2aj3 s GLU 161 Cb 0.07 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 2aj3 s GLU 161 CO -0.05 -0.32 -0.06 -1.54 0.95 0.00 0.00 175.26 174.24 2aj3 s SER 162 N -2.47 0.88 -0.01 0.83 1.04 -0.96 -5.01 113.70 107.99 2aj3 s SER 162 Ca -0.00 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.61 2aj3 s SER 162 Cb 0.01 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2aj3 s SER 162 CO -0.08 -0.41 -0.10 -0.69 0.98 0.00 0.00 173.24 172.94 2aj3 s VAL 163 N -2.94 0.81 0.82 5.02 1.01 -1.26 -2.37 120.40 121.50 2aj3 s VAL 163 Ca 0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2aj3 s VAL 163 Cb 0.01 -0.69 0.09 0.00 0.00 0.00 0.00 36.38 35.78 2aj3 s VAL 163 CO -0.04 0.24 1.10 0.42 0.00 0.00 0.00 175.10 176.82 2aj3 s THR 164 N -0.13 2.84 0.73 3.92 -4.23 -0.84 -5.00 115.64 112.93 2aj3 s THR 164 Ca 0.02 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 2aj3 s THR 164 Cb -0.05 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.81 2aj3 s THR 164 CO -0.00 -0.35 1.07 -1.61 -0.54 0.00 0.00 174.62 173.18 2aj3 s GLU 165 N -5.17 2.67 0.06 3.99 0.41 -1.26 -4.62 118.70 114.79 2aj3 s GLU 165 Ca 0.61 0.92 -0.32 0.00 -0.41 0.00 0.00 54.97 55.77 2aj3 s GLU 165 Cb -0.15 -1.96 -0.11 0.00 -1.78 0.00 0.00 34.13 30.13 2aj3 s GLU 165 CO 0.54 -1.28 1.85 0.94 -0.49 0.00 0.00 175.26 176.83 2aj3 n GLN 166 N -3.24 2.60 -1.65 1.61 7.27 -1.26 -4.75 117.38 117.96 2aj3 n GLN 166 Ca 0.08 0.95 -0.42 0.00 0.07 0.00 0.00 57.00 57.67 2aj3 n GLN 166 Cb 0.54 -2.83 0.00 0.00 2.41 0.00 0.00 30.24 30.36 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 6.06 1.89 0.18 1.69 2.03 0.20 -4.84 116.55 123.76 2aj3 n ASP 167 Ca 0.19 1.12 0.07 0.00 0.52 0.00 0.00 54.79 56.69 2aj3 n ASP 167 Cb 0.35 -1.40 0.11 0.00 -0.72 0.00 0.00 41.12 39.46 2aj3 n ASP 167 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2aj3 h ASN 168 N 1.99 0.00 0.00 1.67 -1.07 -1.90 -1.71 115.58 114.57 2aj3 h ASN 168 Ca -0.44 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 55.82 2aj3 h ASN 168 Cb 1.32 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.55 2aj3 h ASN 168 CO 0.60 0.28 -0.80 0.50 0.07 0.00 0.00 177.43 178.08 2aj3 h LYS 169 N 0.00 0.00 -0.42 4.14 1.63 -1.98 -3.41 116.57 116.53 2aj3 h LYS 169 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2aj3 h LYS 169 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2aj3 h LYS 169 CO 0.04 0.51 0.00 -0.40 -3.45 0.00 0.00 179.45 176.15 2aj3 n ASP 170 N -4.54 3.11 -2.14 4.20 5.68 -1.26 -4.99 116.55 116.61 2aj3 n ASP 170 Ca -0.18 -1.99 -0.16 0.00 -0.50 0.00 0.00 54.79 51.95 2aj3 n ASP 170 Cb 0.45 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.73 -4.70 -4.96 -1.12 7.64 -0.64 -4.94 113.62 105.63 2aj3 n SER 171 Ca 0.14 0.19 -0.23 0.00 1.01 0.00 0.00 58.87 59.98 2aj3 n SER 171 Cb 0.46 -4.03 0.02 0.00 -1.01 0.00 0.00 64.21 59.65 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 -2.69 1.99 0.32 0.44 -4.23 -1.26 -4.60 115.64 105.61 2aj3 s THR 172 Ca 0.00 -1.27 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 2aj3 s THR 172 Cb 0.00 -2.25 -0.06 0.00 1.34 0.00 0.00 72.50 71.52 2aj3 s THR 172 CO 0.00 0.00 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.77 2aj3 s TYR 173 N -2.69 2.08 0.03 3.99 1.51 -0.37 0.62 117.35 122.53 2aj3 s TYR 173 Ca 0.47 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 2aj3 s TYR 173 Cb -0.04 -1.32 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2aj3 s TYR 173 CO 0.29 0.22 -0.03 -1.12 -1.11 0.00 0.00 175.55 173.80 2aj3 s SER 174 N -3.52 0.32 0.00 2.29 0.01 -1.26 -0.42 113.70 111.12 2aj3 s SER 174 Ca 0.33 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2aj3 s SER 174 Cb 0.07 0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.40 2aj3 s SER 174 CO 0.15 -0.33 -0.01 -0.22 0.41 0.00 0.00 173.24 173.24 2aj3 s LEU 175 N -1.64 2.03 -0.05 2.44 0.20 -0.29 -1.98 118.68 119.39 2aj3 s LEU 175 Ca -0.13 -0.07 0.03 0.00 0.69 0.00 0.00 54.13 54.65 2aj3 s LEU 175 Cb -0.08 -0.02 0.00 0.00 -0.43 0.00 0.00 46.19 45.66 2aj3 s LEU 175 CO -0.02 -0.03 -0.15 -0.94 -0.29 0.00 0.00 176.35 174.92 2aj3 s SER 176 N -0.20 2.01 -0.04 3.68 1.04 -1.00 -1.07 113.70 118.12 2aj3 s SER 176 Ca -0.02 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.13 2aj3 s SER 176 Cb -0.01 -0.69 -0.01 0.00 0.10 0.00 0.00 66.02 65.41 2aj3 s SER 176 CO -0.00 0.11 -0.20 -0.55 0.98 0.00 0.00 173.24 173.58 2aj3 s SER 177 N 0.25 2.47 -0.17 7.02 0.15 -0.67 -2.27 113.70 120.49 2aj3 s SER 177 Ca -0.08 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.18 2aj3 s SER 177 Cb -0.13 -0.63 0.01 0.00 -1.71 0.00 0.00 66.02 63.57 2aj3 s SER 177 CO 0.03 0.19 -0.20 -0.89 1.20 0.00 0.00 173.24 173.57 2aj3 s THR 178 N -0.09 2.13 -0.32 6.45 2.01 0.54 -0.99 115.64 125.36 2aj3 s THR 178 Ca -0.02 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.92 2aj3 s THR 178 Cb -0.12 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 2aj3 s THR 178 CO 0.02 0.54 0.27 -0.22 -0.69 0.00 0.00 174.62 174.54 2aj3 s LEU 179 N 1.12 4.34 -0.13 4.42 1.98 0.42 -1.69 118.68 129.14 2aj3 s LEU 179 Ca 0.01 -0.22 -0.06 0.00 -2.89 0.00 0.00 54.13 50.97 2aj3 s LEU 179 Cb -0.14 -2.20 -0.04 0.00 0.66 0.00 0.00 46.19 44.47 2aj3 s LEU 179 CO -0.09 -0.21 0.08 -0.89 -1.89 0.00 0.00 176.35 173.35 2aj3 s THR 180 N 1.83 4.96 0.11 3.68 2.01 -0.43 -0.34 115.64 127.46 2aj3 s THR 180 Ca 0.08 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 2aj3 s THR 180 Cb -0.17 -3.17 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 2aj3 s THR 180 CO 0.11 0.56 0.22 -0.76 -0.69 0.00 0.00 174.62 174.06 2aj3 s LEU 181 N -0.54 1.28 0.54 4.42 1.43 -0.34 -4.88 118.68 120.59 2aj3 s LEU 181 Ca 0.11 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.35 2aj3 s LEU 181 Cb -0.12 1.10 -0.06 0.00 0.03 0.00 0.00 46.19 47.14 2aj3 s LEU 181 CO 0.02 -0.77 1.04 -0.94 0.23 0.00 0.00 176.35 175.93 2aj3 s SER 182 N -2.88 6.09 0.30 2.29 1.04 -1.26 -0.58 113.70 118.70 2aj3 s SER 182 Ca 0.08 1.82 -0.00 0.00 0.48 0.00 0.00 55.95 58.33 2aj3 s SER 182 Cb 0.04 -2.54 0.50 0.00 0.10 0.00 0.00 66.02 64.13 2aj3 s SER 182 CO -0.09 -0.95 1.94 0.50 0.98 0.00 0.00 173.24 175.62 2aj3 h LYS 183 N 0.91 1.02 0.20 4.02 3.64 -1.50 -1.56 116.57 123.31 2aj3 h LYS 183 Ca -0.48 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.85 2aj3 h LYS 183 Cb 1.22 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 2aj3 h LYS 183 CO 0.58 0.68 -0.44 0.00 -2.27 0.00 0.00 179.45 178.00 2aj3 h ALA 184 N 1.50 -0.84 -0.55 5.00 0.00 -1.91 0.07 119.26 122.53 2aj3 h ALA 184 Ca 0.35 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2aj3 h ALA 184 Cb 0.06 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 2aj3 h ALA 184 CO -0.11 -1.03 0.20 -0.44 0.00 0.00 0.00 179.25 177.86 2aj3 h ASP 185 N -0.73 0.19 -0.62 0.00 3.32 -1.82 -1.39 116.42 115.37 2aj3 h ASP 185 Ca 0.00 0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.22 2aj3 h ASP 185 Cb 0.72 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.25 2aj3 h ASP 185 CO -0.20 0.13 0.23 0.22 -1.72 0.00 0.00 179.24 177.89 2aj3 h TYR 186 N 0.37 0.39 0.00 4.55 3.20 -0.79 -1.15 116.97 123.55 2aj3 h TYR 186 Ca 0.27 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2aj3 h TYR 186 Cb 0.32 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2aj3 h TYR 186 CO -0.17 0.09 0.00 0.93 -1.64 0.00 0.00 178.16 177.37 2aj3 h GLU 187 N 0.41 0.00 0.05 1.82 5.08 0.11 -3.21 114.58 118.84 2aj3 h GLU 187 Ca 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2aj3 h GLU 187 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2aj3 h GLU 187 CO -0.32 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 178.54 2aj3 h LYS 188 N 0.00 -0.07 -6.98 2.33 1.57 -0.77 -3.47 116.57 109.19 2aj3 h LYS 188 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.30 2aj3 h LYS 188 Cb 0.38 0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.73 2aj3 h LYS 188 CO 0.00 0.31 0.43 -1.01 -0.57 0.00 0.00 179.45 178.61 2aj3 s HIS 189 N -2.16 3.13 -0.20 -1.35 3.76 -1.11 -5.01 115.29 112.35 2aj3 s HIS 189 Ca -0.08 1.61 -0.09 0.00 -0.15 0.00 0.00 55.06 56.35 2aj3 s HIS 189 Cb -0.01 -3.20 -0.20 0.00 1.11 0.00 0.00 32.58 30.28 2aj3 s HIS 189 CO 0.30 -0.90 0.08 1.63 -0.85 0.00 0.00 174.74 174.99 2aj3 n LYS 190 N -0.27 0.67 -4.37 1.40 5.02 -1.26 -4.74 118.16 114.61 2aj3 n LYS 190 Ca 0.06 0.30 -0.34 0.00 -2.02 0.00 0.00 58.31 56.31 2aj3 n LYS 190 Cb 0.49 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 33.73 2aj3 n LYS 190 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2aj3 s VAL 191 N -2.50 3.33 -0.25 -0.18 1.01 -1.26 -1.61 120.40 118.94 2aj3 s VAL 191 Ca -0.29 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2aj3 s VAL 191 Cb 0.08 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 34.03 2aj3 s VAL 191 CO 0.65 0.48 -0.07 -0.31 0.00 0.00 0.00 175.10 175.85 2aj3 s TYR 192 N 0.78 3.06 0.11 5.22 1.51 -0.98 0.22 117.35 127.28 2aj3 s TYR 192 Ca -0.03 -1.57 0.10 0.00 -1.01 0.00 0.00 57.07 54.56 2aj3 s TYR 192 Cb -0.15 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 2aj3 s TYR 192 CO 0.01 -0.73 -0.26 0.00 -1.11 0.00 0.00 175.55 173.46 2aj3 s ALA 193 N 1.32 2.31 -0.29 3.71 0.00 0.15 -2.13 121.76 126.83 2aj3 s ALA 193 Ca 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.57 2aj3 s ALA 193 Cb -0.17 -0.39 0.08 0.00 0.00 0.00 0.00 23.12 22.64 2aj3 s ALA 193 CO -0.05 0.53 0.00 0.00 0.00 0.00 0.00 175.76 176.24 2aj3 s GLU 195 N 1.18 4.16 -0.18 0.00 2.12 0.33 -1.89 118.70 124.41 2aj3 s GLU 195 Ca 0.03 0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.41 2aj3 s GLU 195 Cb -0.19 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 2aj3 s GLU 195 CO -0.10 0.01 -0.09 0.08 -0.54 0.00 0.00 175.26 174.63 2aj3 s VAL 196 N 1.17 3.16 -0.18 3.70 1.01 0.26 -0.81 120.40 128.71 2aj3 s VAL 196 Ca 0.16 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2aj3 s VAL 196 Cb -0.14 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2aj3 s VAL 196 CO 0.07 0.47 -0.03 -0.89 0.00 0.00 0.00 175.10 174.72 2aj3 s THR 197 N 1.04 3.79 -0.21 3.92 2.01 -0.58 -0.64 115.64 124.98 2aj3 s THR 197 Ca -0.00 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.39 2aj3 s THR 197 Cb -0.15 -2.69 0.06 0.00 0.01 0.00 0.00 72.50 69.74 2aj3 s THR 197 CO -0.01 0.46 0.64 -2.28 -0.69 0.00 0.00 174.62 172.73 2aj3 s HIS 198 N 0.77 -0.68 0.55 4.92 2.46 -1.26 -1.71 115.29 120.34 2aj3 s HIS 198 Ca -0.01 1.61 0.39 0.00 0.47 0.00 0.00 55.06 57.52 2aj3 s HIS 198 Cb -0.14 0.25 1.57 0.00 -0.13 0.00 0.00 32.58 34.13 2aj3 s HIS 198 CO 0.02 -0.37 1.75 0.37 -2.47 0.00 0.00 174.74 174.04 2aj3 h GLN 199 N 4.86 0.00 0.00 2.88 4.15 -1.94 0.43 115.11 125.49 2aj3 h GLN 199 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2aj3 h GLN 199 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2aj3 h GLN 199 CO 0.14 0.00 -0.16 0.41 -1.93 0.00 0.00 178.83 177.29 2aj3 n GLY 200 N -1.79 -1.61 3.51 2.39 0.00 -1.26 -4.69 105.19 101.73 2aj3 n GLY 200 Ca 0.29 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.30 4.70 0.54 0.99 1.43 0.15 -4.59 118.68 117.61 2aj3 s LEU 201 Ca 0.10 -0.53 0.25 0.00 -1.03 0.00 0.00 54.13 52.91 2aj3 s LEU 201 Cb 0.13 -2.24 1.36 0.00 0.03 0.00 0.00 46.19 45.48 2aj3 s LEU 201 CO 0.62 -0.37 1.74 0.77 0.23 0.00 0.00 176.35 179.34 2aj3 h SER 202 N 8.56 0.00 -5.00 2.29 4.64 -1.84 -3.41 113.55 118.78 2aj3 h SER 202 Ca -0.29 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.98 2aj3 h SER 202 Cb 1.14 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.06 2aj3 h SER 202 CO 0.70 0.00 0.17 -0.55 -0.87 0.00 0.00 176.83 176.28 2aj3 s SER 203 N -4.13 -0.60 0.20 4.97 0.15 -1.26 -5.14 113.70 107.88 2aj3 s SER 203 Ca -0.03 0.45 -0.33 0.00 0.70 0.00 0.00 55.95 56.75 2aj3 s SER 203 Cb 0.07 0.55 -0.14 0.00 -1.71 0.00 0.00 66.02 64.79 2aj3 s SER 203 CO 0.23 -0.72 1.42 -2.65 1.20 0.00 0.00 173.24 172.72 2aj3 n PRO 204 N 0.50 1.90 -3.58 5.44 -0.02 -1.26 -4.90 135.00 133.08 2aj3 n PRO 204 Ca -0.18 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 2aj3 n PRO 204 Cb 0.60 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.25 5.12 -0.20 -1.45 1.01 0.19 -4.88 120.40 120.43 2aj3 s VAL 205 Ca 0.73 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.34 2aj3 s VAL 205 Cb -0.71 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.08 2aj3 s VAL 205 CO 0.46 0.50 -0.02 -0.89 0.00 0.00 0.00 175.10 175.16 2aj3 s THR 206 N -1.16 1.05 -0.33 3.92 2.01 -1.26 0.89 115.64 120.76 2aj3 s THR 206 Ca 0.25 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 2aj3 s THR 206 Cb -0.15 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 2aj3 s THR 206 CO 0.13 -0.09 0.21 -0.54 -0.69 0.00 0.00 174.62 173.64 2aj3 s LYS 207 N 1.62 3.45 0.24 4.92 -0.14 -0.79 -4.91 119.74 124.14 2aj3 s LYS 207 Ca -0.03 -0.66 0.08 0.00 -1.36 0.00 0.00 55.97 54.00 2aj3 s LYS 207 Cb -0.17 -3.72 -0.05 0.00 -1.68 0.00 0.00 37.83 32.21 2aj3 s LYS 207 CO -0.07 -0.42 -0.12 -1.12 -0.76 0.00 0.00 175.35 172.86 2aj3 s SER 208 N 1.68 2.76 -0.10 2.83 0.01 -1.26 -1.38 113.70 118.24 2aj3 s SER 208 Ca 0.06 -1.09 -0.18 0.00 1.31 0.00 0.00 55.95 56.05 2aj3 s SER 208 Cb -0.17 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 65.93 2aj3 s SER 208 CO 0.09 -0.22 0.44 0.72 0.41 0.00 0.00 173.24 174.69 2aj3 s PHE 209 N -2.94 -0.42 -0.25 2.43 -0.12 -0.91 -5.02 117.98 110.76 2aj3 s PHE 209 Ca 0.26 0.89 -0.14 0.00 -0.05 0.00 0.00 56.93 57.88 2aj3 s PHE 209 Cb 0.01 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 2aj3 s PHE 209 CO 0.10 -0.35 0.33 -0.80 -0.05 0.00 0.00 175.22 174.45 2aj3 s ASN 210 N -0.53 6.26 -0.22 1.98 0.01 -1.26 -2.31 114.94 118.88 2aj3 s ASN 210 Ca -0.06 0.29 -0.40 0.00 -0.71 0.00 0.00 52.86 51.98 2aj3 s ASN 210 Cb -0.03 -2.19 -0.16 0.00 0.41 0.00 0.00 41.25 39.27 2aj3 s ASN 210 CO 0.03 -0.11 1.68 -1.14 -1.51 0.00 0.00 177.10 176.05 2aj3 n ARG 211 N 4.96 1.15 -0.75 -0.60 0.63 -0.64 -0.58 116.66 120.82 2aj3 n ARG 211 Ca -0.10 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 2aj3 n ARG 211 Cb 0.51 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.32 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 3.91 0.83 0.00 5.14 0.00 -1.26 -5.04 105.19 108.77 2aj3 n GLY 212 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 2aj3 n GLY 212 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11