#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 1.90 -0.18 1.96 -2.07 -1.26 -4.79 119.66 115.22 2aj3 s GLN 3 Ca 0.00 -1.11 -0.04 0.00 -1.82 0.00 0.00 55.36 52.39 2aj3 s GLN 3 Cb 0.00 -2.15 -0.03 0.00 -1.09 0.00 0.00 33.01 29.74 2aj3 s GLN 3 CO 0.00 0.50 -0.02 -1.64 -1.32 0.00 0.00 175.29 172.81 2aj3 s MET 4 N -1.93 3.63 -0.12 9.60 -1.94 -1.26 -1.00 119.30 126.27 2aj3 s MET 4 Ca 0.17 -0.52 0.02 0.00 -1.71 0.00 0.00 55.69 53.65 2aj3 s MET 4 Cb -0.11 -3.01 -0.00 0.00 2.01 0.00 0.00 34.83 33.72 2aj3 s MET 4 CO 0.09 0.10 -0.19 0.99 -0.01 0.00 0.00 175.02 176.00 2aj3 s THR 5 N 0.75 2.50 0.14 2.05 2.01 -0.78 -4.14 115.64 118.17 2aj3 s THR 5 Ca -0.01 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.18 2aj3 s THR 5 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2aj3 s THR 5 CO 0.02 0.54 0.16 -1.10 -0.69 0.00 0.00 174.62 173.55 2aj3 s GLN 6 N 0.44 3.03 -0.28 4.92 -0.21 -1.26 -1.44 119.66 124.86 2aj3 s GLN 6 Ca -0.13 -0.76 -0.19 0.00 0.02 0.00 0.00 55.36 54.30 2aj3 s GLN 6 Cb -0.17 -2.75 0.11 0.00 1.00 0.00 0.00 33.01 31.21 2aj3 s GLN 6 CO 0.06 0.51 0.87 -1.54 -2.12 0.00 0.00 175.29 173.08 2aj3 s SER 7 N -2.96 -0.65 0.97 5.90 1.04 -1.15 -4.56 113.70 112.29 2aj3 s SER 7 Ca 0.32 1.11 -0.13 0.00 0.48 0.00 0.00 55.95 57.73 2aj3 s SER 7 Cb -0.11 1.22 0.17 0.00 0.10 0.00 0.00 66.02 67.40 2aj3 s SER 7 CO 0.24 -0.18 1.12 -2.16 0.98 0.00 0.00 173.24 173.24 2aj3 s PRO 8 N 1.04 0.69 0.02 4.02 0.04 -1.26 -2.29 135.00 137.25 2aj3 s PRO 8 Ca -0.05 0.34 0.13 0.00 0.04 0.00 0.00 61.00 61.46 2aj3 s PRO 8 Cb -0.05 -1.78 -0.19 0.00 0.04 0.00 0.00 34.50 32.52 2aj3 s PRO 8 CO -0.12 -2.52 0.83 0.77 0.04 0.00 0.00 177.00 176.00 2aj3 h SER 9 N -1.73 0.00 -3.68 6.66 0.02 -1.81 -3.42 113.55 109.58 2aj3 h SER 9 Ca -0.52 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.10 2aj3 h SER 9 Cb 1.33 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.56 2aj3 h SER 9 CO 0.59 0.89 -0.75 -0.36 -1.14 0.00 0.00 176.83 176.06 2aj3 s PHE 10 N -2.70 0.36 -0.02 3.45 0.08 -1.26 -0.61 117.98 117.27 2aj3 s PHE 10 Ca -0.03 -0.05 -0.00 0.00 0.12 0.00 0.00 56.93 56.97 2aj3 s PHE 10 Cb 0.08 -0.32 0.03 0.00 -0.57 0.00 0.00 43.02 42.24 2aj3 s PHE 10 CO 0.82 -0.07 0.04 -1.17 -0.10 0.00 0.00 175.22 174.74 2aj3 s LEU 11 N 0.42 1.20 -0.09 -0.37 0.20 -0.33 -4.94 118.68 114.77 2aj3 s LEU 11 Ca -0.04 0.07 -0.00 0.00 0.69 0.00 0.00 54.13 54.84 2aj3 s LEU 11 Cb -0.07 0.00 -0.03 0.00 -0.43 0.00 0.00 46.19 45.66 2aj3 s LEU 11 CO -0.01 -0.11 -0.06 -0.44 -0.29 0.00 0.00 176.35 175.45 2aj3 s SER 12 N 0.89 4.74 0.22 3.68 0.01 -1.26 -1.67 113.70 120.31 2aj3 s SER 12 Ca -0.07 -0.02 -0.18 0.00 1.31 0.00 0.00 55.95 56.99 2aj3 s SER 12 Cb -0.10 -1.32 0.02 0.00 0.21 0.00 0.00 66.02 64.83 2aj3 s SER 12 CO -0.03 0.33 0.57 0.00 0.41 0.00 0.00 173.24 174.52 2aj3 s ALA 13 N -0.61 -0.93 0.32 1.44 0.00 -0.86 -4.85 121.76 116.28 2aj3 s ALA 13 Ca 0.09 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.75 2aj3 s ALA 13 Cb -0.12 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 2aj3 s ALA 13 CO 0.02 -0.87 0.50 -1.12 0.00 0.00 0.00 175.76 174.29 2aj3 s SER 14 N -2.90 6.30 0.10 0.00 0.01 -1.26 -2.55 113.70 113.39 2aj3 s SER 14 Ca 0.11 0.36 -0.31 0.00 1.31 0.00 0.00 55.95 57.43 2aj3 s SER 14 Cb -0.02 -1.99 -0.08 0.00 0.21 0.00 0.00 66.02 64.14 2aj3 s SER 14 CO 0.01 -0.24 1.42 -0.69 0.41 0.00 0.00 173.24 174.15 2aj3 s VAL 15 N -2.24 3.29 0.00 3.43 1.01 -1.26 -2.26 120.40 122.37 2aj3 s VAL 15 Ca 0.39 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2aj3 s VAL 15 Cb -0.09 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2aj3 s VAL 15 CO 0.34 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2aj3 n GLY 16 N 3.55 2.00 3.80 4.51 0.00 0.14 -4.85 105.19 114.35 2aj3 n GLY 16 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.61 5.16 -0.30 1.61 1.01 -0.96 -3.66 116.67 117.93 2aj3 s ASP 17 Ca 0.00 1.69 -0.08 0.00 0.71 0.00 0.00 52.55 54.86 2aj3 s ASP 17 Cb 0.00 -2.50 -0.00 0.00 1.01 0.00 0.00 42.92 41.43 2aj3 s ASP 17 CO 0.00 -1.59 0.12 -0.60 0.21 0.00 0.00 175.17 173.31 2aj3 s ARG 18 N -4.95 3.24 0.18 8.23 3.52 -1.26 -1.17 118.95 126.73 2aj3 s ARG 18 Ca 0.59 -0.77 0.10 0.00 -0.13 0.00 0.00 55.73 55.52 2aj3 s ARG 18 Cb -0.15 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2aj3 s ARG 18 CO 0.54 -0.42 -0.20 0.08 -0.81 0.00 0.00 175.30 174.49 2aj3 s VAL 19 N 1.56 2.63 -0.03 7.11 1.01 -0.24 -4.97 120.40 127.46 2aj3 s VAL 19 Ca 0.04 -1.87 0.01 0.00 0.00 0.00 0.00 61.98 60.16 2aj3 s VAL 19 Cb -0.17 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.97 2aj3 s VAL 19 CO 0.04 -0.09 -0.02 -0.94 0.00 0.00 0.00 175.10 174.10 2aj3 s SER 20 N -2.64 0.62 -0.08 3.32 1.04 -1.26 -1.07 113.70 113.61 2aj3 s SER 20 Ca 0.21 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 2aj3 s SER 20 Cb -0.08 -0.30 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 2aj3 s SER 20 CO 0.11 -0.07 -0.04 -0.63 0.98 0.00 0.00 173.24 173.59 2aj3 s ILE 21 N 0.90 3.93 0.24 -1.02 1.01 0.11 -4.86 121.20 121.52 2aj3 s ILE 21 Ca -0.10 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.25 2aj3 s ILE 21 Cb -0.13 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 2aj3 s ILE 21 CO -0.01 0.59 0.04 0.42 0.00 0.00 0.00 174.94 175.98 2aj3 s THR 22 N -0.69 3.73 -0.08 2.92 -4.23 -0.97 -1.04 115.64 115.29 2aj3 s THR 22 Ca 0.11 -1.70 -0.03 0.00 -1.18 0.00 0.00 61.69 58.88 2aj3 s THR 22 Cb -0.11 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.79 2aj3 s THR 22 CO 0.02 -0.32 0.15 0.00 -0.54 0.00 0.00 174.62 173.93 2aj3 s ARG 24 N 1.89 2.42 -0.05 0.00 3.52 -0.52 -1.20 118.95 125.01 2aj3 s ARG 24 Ca -0.01 -1.20 0.04 0.00 -0.13 0.00 0.00 55.73 54.43 2aj3 s ARG 24 Cb -0.12 -2.31 -0.00 0.00 -1.56 0.00 0.00 34.95 30.95 2aj3 s ARG 24 CO -0.06 0.42 -0.18 0.00 -0.81 0.00 0.00 175.30 174.67 2aj3 s ALA 25 N -1.96 1.63 0.14 6.12 0.00 0.69 -1.87 121.76 126.51 2aj3 s ALA 25 Ca 0.29 -0.74 0.28 0.00 0.00 0.00 0.00 51.96 51.80 2aj3 s ALA 25 Cb -0.08 -0.54 1.54 0.00 0.00 0.00 0.00 23.12 24.03 2aj3 s ALA 25 CO 0.20 0.29 1.86 0.66 0.00 0.00 0.00 175.76 178.76 2aj3 h SER 26 N 6.28 0.00 -5.52 0.00 4.64 -1.41 -3.43 113.55 114.10 2aj3 h SER 26 Ca -0.32 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.76 2aj3 h SER 26 Cb 1.18 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 2aj3 h SER 26 CO 0.48 0.00 -0.31 -1.10 -0.87 0.00 0.00 176.83 175.02 2aj3 s GLN 27 N -3.74 1.63 -0.17 4.77 -0.21 -1.26 -4.95 119.66 115.73 2aj3 s GLN 27 Ca -0.03 -1.64 -0.29 0.00 0.02 0.00 0.00 55.36 53.42 2aj3 s GLN 27 Cb 0.08 0.39 -0.00 0.00 1.00 0.00 0.00 33.01 34.48 2aj3 s GLN 27 CO 0.26 -0.64 1.05 0.34 -2.12 0.00 0.00 175.29 174.18 2aj3 s ASP 28 N -3.18 7.14 -0.08 5.90 2.15 -1.26 -4.58 116.67 122.75 2aj3 s ASP 28 Ca 0.32 1.48 0.12 0.00 0.43 0.00 0.00 52.55 54.90 2aj3 s ASP 28 Cb 0.02 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.27 2aj3 s ASP 28 CO 0.16 -0.59 1.08 2.30 -0.17 0.00 0.00 175.17 177.96 2aj3 n ILE 29 N 5.00 1.48 0.00 4.11 -5.35 -0.97 -5.03 119.36 118.60 2aj3 n ILE 29 Ca 0.11 -1.72 0.00 0.00 -0.27 0.00 0.00 62.75 60.87 2aj3 n ILE 29 Cb 0.47 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 -1.05 0.00 0.00 6.28 0.00 -1.26 -1.40 117.38 119.95 2aj3 n GLN 30 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.10 2aj3 n GLN 30 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 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 0.00 -0.82 -1.42 2.61 4.76 -1.26 -1.11 118.16 120.92 2aj3 n LYS 31 Ca 0.00 -0.46 -0.38 0.00 -2.87 0.00 0.00 58.31 54.59 2aj3 n LYS 31 Cb 0.00 -0.96 -0.06 0.00 -1.84 0.00 0.00 35.03 32.17 2aj3 n LYS 31 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2aj3 n PHE 32 N -0.02 2.06 -3.74 2.13 3.72 -0.49 -2.80 117.46 118.32 2aj3 n PHE 32 Ca 0.00 -1.62 -0.12 0.00 -0.05 0.00 0.00 57.45 55.66 2aj3 n PHE 32 Cb 0.01 -1.97 -0.12 0.00 -0.94 0.00 0.00 39.48 36.47 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 4.45 0.55 0.21 4.37 0.20 -1.26 -1.33 118.68 125.88 2aj3 s LEU 33 Ca 0.62 0.57 0.09 0.00 0.69 0.00 0.00 54.13 56.09 2aj3 s LEU 33 Cb 0.09 0.86 -0.05 0.00 -0.43 0.00 0.00 46.19 46.67 2aj3 s LEU 33 CO 0.14 -0.14 -0.17 0.00 -0.29 0.00 0.00 176.35 175.89 2aj3 s ALA 34 N 0.90 2.16 0.21 5.97 0.00 0.11 -0.95 121.76 130.16 2aj3 s ALA 34 Ca -0.06 -1.66 0.11 0.00 0.00 0.00 0.00 51.96 50.35 2aj3 s ALA 34 Cb -0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2aj3 s ALA 34 CO -0.06 0.15 -0.20 -1.58 0.00 0.00 0.00 175.76 174.07 2aj3 s TRP 35 N -2.64 2.36 0.02 0.00 0.52 0.39 -0.34 118.94 119.26 2aj3 s TRP 35 Ca 0.22 -0.33 -0.07 0.00 0.02 0.00 0.00 56.10 55.94 2aj3 s TRP 35 Cb -0.03 -1.13 -0.00 0.00 -1.15 0.00 0.00 33.47 31.16 2aj3 s TRP 35 CO 0.08 0.56 0.13 0.71 0.02 0.00 0.00 176.95 178.45 2aj3 s TYR 36 N -1.89 0.09 -0.12 -1.98 1.51 0.40 -2.49 117.35 112.87 2aj3 s TYR 36 Ca 0.24 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 2aj3 s TYR 36 Cb -0.07 -0.07 -0.01 0.00 -0.11 0.00 0.00 41.96 41.69 2aj3 s TYR 36 CO 0.12 -0.33 -0.16 -1.14 -1.11 0.00 0.00 175.55 172.93 2aj3 s GLN 37 N -1.92 3.23 -0.23 -0.62 0.74 -0.29 -1.84 119.66 118.73 2aj3 s GLN 37 Ca -0.11 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.57 2aj3 s GLN 37 Cb -0.05 -2.53 0.06 0.00 1.10 0.00 0.00 33.01 31.59 2aj3 s GLN 37 CO -0.01 0.24 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.42 2aj3 s LEU 38 N 0.26 2.33 -0.20 3.68 1.43 0.18 -1.33 118.68 125.03 2aj3 s LEU 38 Ca -0.11 -1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 51.85 2aj3 s LEU 38 Cb -0.16 -1.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 2aj3 s LEU 38 CO 0.06 -0.25 -0.10 0.42 0.23 0.00 0.00 176.35 176.71 2aj3 s THR 39 N 1.48 2.97 -0.13 5.49 -4.23 -1.26 -2.73 115.64 117.23 2aj3 s THR 39 Ca -0.05 -0.64 -0.38 0.00 -1.18 0.00 0.00 61.69 59.44 2aj3 s THR 39 Cb -0.19 -2.32 -0.15 0.00 1.34 0.00 0.00 72.50 71.18 2aj3 s THR 39 CO -0.07 0.47 1.65 -0.81 -0.54 0.00 0.00 174.62 175.32 2aj3 n PRO 40 N 4.57 1.34 0.00 3.99 -0.04 -1.26 -1.20 135.00 142.40 2aj3 n PRO 40 Ca -0.19 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2aj3 n PRO 40 Cb 0.51 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 2aj3 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aj3 n GLY 41 N 3.75 2.84 3.70 0.55 0.00 -1.26 -5.07 105.19 109.70 2aj3 n GLY 41 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.42 4.77 0.32 1.61 1.01 -0.35 -5.10 116.67 117.52 2aj3 s ASP 42 Ca 0.00 -0.60 -0.26 0.00 0.71 0.00 0.00 52.55 52.40 2aj3 s ASP 42 Cb 0.00 -0.93 -0.10 0.00 1.01 0.00 0.00 42.92 42.91 2aj3 s ASP 42 CO 0.00 -0.08 0.95 0.00 0.21 0.00 0.00 175.17 176.25 2aj3 s ALA 43 N -2.31 3.22 0.30 5.23 0.00 -1.26 -4.68 121.76 122.26 2aj3 s ALA 43 Ca 0.33 0.56 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 2aj3 s ALA 43 Cb -0.06 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 2aj3 s ALA 43 CO 0.22 0.15 1.14 -2.30 0.00 0.00 0.00 175.76 174.96 2aj3 n PRO 44 N 0.63 1.66 -4.57 0.00 -0.02 -1.26 -4.86 135.00 126.57 2aj3 n PRO 44 Ca 0.02 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 2aj3 n PRO 44 Cb 0.50 -2.05 -0.13 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 -1.56 3.51 0.12 -0.52 2.20 -0.44 -4.95 119.74 118.10 2aj3 s LYS 45 Ca 0.59 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 2aj3 s LYS 45 Cb -0.66 -2.78 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 2aj3 s LYS 45 CO 0.60 0.25 0.96 -1.17 -0.36 0.00 0.00 175.35 175.63 2aj3 s LEU 46 N 0.30 4.51 -0.03 5.43 2.96 -1.26 -1.14 118.68 129.44 2aj3 s LEU 46 Ca -0.06 1.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 2aj3 s LEU 46 Cb -0.15 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 2aj3 s LEU 46 CO 0.04 -0.06 -0.01 0.18 -1.32 0.00 0.00 176.35 175.18 2aj3 n LEU 47 N 2.73 1.39 -3.72 -0.68 4.77 -1.04 -4.78 117.00 115.67 2aj3 n LEU 47 Ca 0.02 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 2aj3 n LEU 47 Cb 0.49 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2aj3 n LEU 47 CO 0.51 0.30 0.09 -0.32 -1.33 0.00 0.00 177.39 176.65 2aj3 s MET 48 N -2.08 0.62 0.18 3.23 0.00 -1.23 -0.97 119.30 119.05 2aj3 s MET 48 Ca -0.03 0.20 -0.05 0.00 0.00 0.00 0.00 55.69 55.81 2aj3 s MET 48 Cb 0.01 0.29 -0.03 0.00 0.00 0.00 0.00 34.83 35.10 2aj3 s MET 48 CO 0.11 -0.14 0.20 1.52 0.00 0.00 0.00 175.02 176.71 2aj3 s TYR 49 N -0.62 0.75 -1.23 4.11 1.13 -0.89 -0.46 117.35 120.15 2aj3 s TYR 49 Ca -0.07 -1.08 -0.06 0.00 -1.41 0.00 0.00 57.07 54.45 2aj3 s TYR 49 Cb -0.04 -0.30 0.04 0.00 -1.10 0.00 0.00 41.96 40.57 2aj3 s TYR 49 CO 0.03 -0.67 0.36 0.43 -2.51 0.00 0.00 175.55 173.19 2aj3 n SER 50 N -0.22 -4.01 0.00 -0.18 7.64 -0.94 -1.41 113.62 114.51 2aj3 n SER 50 Ca -0.03 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.64 2aj3 n SER 50 Cb 0.64 -3.33 0.00 0.00 -1.01 0.00 0.00 64.21 60.51 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 -3.15 0.00 -0.33 -0.43 0.00 -0.13 -4.15 120.51 112.32 2aj3 n ALA 51 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2aj3 n ALA 51 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 1.29 1.18 -4.55 0.00 3.41 -1.16 -3.37 113.62 110.42 2aj3 n SER 52 Ca 0.00 -1.51 -0.42 0.00 -0.26 0.00 0.00 58.87 56.68 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 -0.51 4.92 0.10 6.66 2.01 -0.50 -4.57 115.64 123.75 2aj3 s THR 53 Ca 0.00 0.34 -0.31 0.00 0.31 0.00 0.00 61.69 62.03 2aj3 s THR 53 Cb 0.00 -4.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 2aj3 s THR 53 CO 0.00 -0.37 1.59 -0.22 -0.69 0.00 0.00 174.62 174.92 2aj3 s LEU 54 N 2.63 4.36 0.45 4.42 0.20 -1.26 -2.09 118.68 127.39 2aj3 s LEU 54 Ca 0.22 2.48 -0.24 0.00 0.69 0.00 0.00 54.13 57.27 2aj3 s LEU 54 Cb -0.15 -3.57 -0.07 0.00 -0.43 0.00 0.00 46.19 41.96 2aj3 s LEU 54 CO 0.16 -0.84 1.28 -1.58 -0.29 0.00 0.00 176.35 175.08 2aj3 s GLN 55 N 2.05 3.73 -0.07 1.98 2.00 -0.14 -4.90 119.66 124.31 2aj3 s GLN 55 Ca 0.71 2.07 -0.34 0.00 -2.00 0.00 0.00 55.36 55.81 2aj3 s GLN 55 Cb -0.40 -2.55 -0.11 0.00 0.80 0.00 0.00 33.01 30.74 2aj3 s GLN 55 CO 0.31 -0.66 1.90 0.43 -0.50 0.00 0.00 175.29 176.77 2aj3 n SER 56 N -0.29 3.56 0.00 6.67 7.64 -1.26 -2.23 113.62 127.71 2aj3 n SER 56 Ca 0.06 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.90 2aj3 n SER 56 Cb 0.45 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2aj3 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aj3 n GLY 57 N 4.43 1.02 3.11 0.23 0.00 -1.26 -5.08 105.19 107.64 2aj3 n GLY 57 Ca 0.22 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 1.85 0.09 1.61 1.01 -0.95 -5.09 120.40 116.92 2aj3 s VAL 58 Ca 0.00 -0.84 -0.36 0.00 0.00 0.00 0.00 61.98 60.77 2aj3 s VAL 58 Cb 0.00 -1.67 -0.17 0.00 0.00 0.00 0.00 36.38 34.54 2aj3 s VAL 58 CO 0.00 0.51 1.27 -0.81 0.00 0.00 0.00 175.10 176.07 2aj3 n PRO 59 N 4.29 0.98 0.00 2.72 -0.04 -1.26 -4.81 135.00 136.87 2aj3 n PRO 59 Ca -0.19 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2aj3 n PRO 59 Cb 0.51 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 2.30 0.00 0.16 3.54 3.41 -1.26 -1.31 113.62 120.47 2aj3 n SER 60 Ca 0.18 0.40 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2aj3 n SER 60 Cb 0.19 -0.40 0.57 0.00 -0.26 0.00 0.00 64.21 64.30 2aj3 n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2aj3 h ARG 61 N 0.00 0.00 -5.73 4.33 0.11 -1.87 -3.40 114.38 107.81 2aj3 h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 2aj3 h ARG 61 Cb 0.15 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.15 2aj3 h ARG 61 CO 0.00 0.00 -0.11 -0.06 0.10 0.00 0.00 179.97 179.90 2aj3 s PHE 62 N -3.45 3.50 -0.07 4.08 0.40 -0.43 -1.34 117.98 120.67 2aj3 s PHE 62 Ca 0.02 0.90 -0.11 0.00 -0.60 0.00 0.00 56.93 57.14 2aj3 s PHE 62 Cb 0.09 -2.59 0.02 0.00 0.51 0.00 0.00 43.02 41.05 2aj3 s PHE 62 CO 0.35 0.12 0.27 -1.54 0.70 0.00 0.00 175.22 175.13 2aj3 s SER 63 N 0.71 -0.22 0.24 1.36 1.04 -0.12 -4.95 113.70 111.77 2aj3 s SER 63 Ca 0.27 0.33 0.11 0.00 0.48 0.00 0.00 55.95 57.13 2aj3 s SER 63 Cb -0.15 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 2aj3 s SER 63 CO 0.11 -0.23 -0.14 -0.83 0.98 0.00 0.00 173.24 173.13 2aj3 s GLY 64 N -0.47 1.77 0.35 7.32 0.00 -1.26 -0.14 107.32 114.90 2aj3 s GLY 64 Ca -0.06 -1.71 -0.07 0.00 0.00 0.00 0.00 44.72 42.88 2aj3 s GLY 64 CO 0.02 -1.78 0.57 -1.35 0.00 0.00 0.00 173.10 170.56 2aj3 s SER 65 N -3.29 0.63 0.00 1.64 1.04 -0.03 -4.38 113.70 109.31 2aj3 s SER 65 Ca 0.28 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.34 2aj3 s SER 65 Cb -0.06 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2aj3 s SER 65 CO 0.15 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.57 2aj3 n GLY 66 N -0.55 0.94 3.59 7.32 0.00 -1.26 -1.55 105.19 113.68 2aj3 n GLY 66 Ca -0.02 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 2aj3 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aj3 s SER 67 N -1.00 -0.29 0.26 1.61 1.04 -0.95 -4.84 113.70 109.53 2aj3 s SER 67 Ca 0.00 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2aj3 s SER 67 Cb 0.00 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2aj3 s SER 67 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2aj3 n GLY 68 N 0.61 1.14 0.02 7.32 0.00 -0.26 -4.07 105.19 109.94 2aj3 n GLY 68 Ca -0.08 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.22 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 0.22 -4.86 2.61 -2.24 -1.26 -2.28 114.28 106.48 2aj3 n THR 69 Ca 0.00 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.19 2aj3 n THR 69 Cb 0.00 -0.12 -0.14 0.00 -2.10 0.00 0.00 70.33 67.97 2aj3 n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2aj3 s GLU 70 N -2.46 2.88 0.04 -0.78 2.02 -1.26 -0.22 118.70 118.93 2aj3 s GLU 70 Ca -0.04 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.26 2aj3 s GLU 70 Cb 0.04 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 2aj3 s GLU 70 CO 0.36 0.44 -0.05 -0.06 0.02 0.00 0.00 175.26 175.97 2aj3 s PHE 71 N -0.25 0.53 -0.04 1.61 0.40 -0.34 -2.24 117.98 117.65 2aj3 s PHE 71 Ca 0.01 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.72 2aj3 s PHE 71 Cb -0.13 -0.34 0.02 0.00 0.51 0.00 0.00 43.02 43.09 2aj3 s PHE 71 CO 0.03 -0.17 -0.03 0.99 0.70 0.00 0.00 175.22 176.74 2aj3 s THR 72 N -1.98 0.40 -0.17 0.64 2.01 -0.60 -1.45 115.64 114.49 2aj3 s THR 72 Ca -0.08 -0.05 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 2aj3 s THR 72 Cb -0.06 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 2aj3 s THR 72 CO -0.02 0.19 0.04 -0.22 -0.69 0.00 0.00 174.62 173.92 2aj3 s LEU 73 N 0.90 3.68 -0.03 4.42 2.96 -0.20 -0.85 118.68 129.56 2aj3 s LEU 73 Ca -0.11 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2aj3 s LEU 73 Cb -0.14 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.63 2aj3 s LEU 73 CO -0.00 0.19 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.20 2aj3 s THR 74 N 0.29 1.05 -0.16 3.68 2.01 0.81 -0.71 115.64 122.61 2aj3 s THR 74 Ca 0.02 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.53 2aj3 s THR 74 Cb -0.13 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.48 2aj3 s THR 74 CO 0.01 0.31 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.42 2aj3 s ILE 75 N 0.12 2.03 -0.20 1.82 1.01 -0.24 -0.95 121.20 124.80 2aj3 s ILE 75 Ca -0.03 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 2aj3 s ILE 75 Cb -0.10 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 2aj3 s ILE 75 CO 0.01 0.54 0.23 -0.44 0.00 0.00 0.00 174.94 175.28 2aj3 s SER 76 N 1.04 6.29 -0.50 3.58 0.01 -0.45 -1.08 113.70 122.60 2aj3 s SER 76 Ca -0.02 0.33 -0.10 0.00 1.31 0.00 0.00 55.95 57.48 2aj3 s SER 76 Cb -0.14 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 63.96 2aj3 s SER 76 CO -0.07 0.09 0.58 0.61 0.41 0.00 0.00 173.24 174.86 2aj3 n GLY 77 N 3.73 -1.23 3.73 3.44 0.00 -0.79 -4.76 105.19 109.30 2aj3 n GLY 77 Ca -0.13 0.90 -0.42 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.80 4.10 -4.88 0.99 4.77 -0.32 -4.58 117.00 116.28 2aj3 n LEU 78 Ca 0.07 1.14 -0.25 0.00 -0.03 0.00 0.00 56.01 56.95 2aj3 n LEU 78 Cb 0.45 -1.56 -0.04 0.00 -2.33 0.00 0.00 43.42 39.94 2aj3 n LEU 78 CO 0.46 0.03 -0.14 -1.10 -1.33 0.00 0.00 177.39 175.30 2aj3 s GLN 79 N -0.41 3.16 0.30 3.23 -1.52 -1.26 -0.68 119.66 122.48 2aj3 s GLN 79 Ca 0.65 -0.79 0.03 0.00 -1.95 0.00 0.00 55.36 53.31 2aj3 s GLN 79 Cb -0.53 -2.78 0.77 0.00 -0.22 0.00 0.00 33.01 30.26 2aj3 s GLN 79 CO 0.48 0.48 1.62 -1.35 -0.25 0.00 0.00 175.29 176.26 2aj3 h PRO 80 N 2.00 0.12 -0.00 2.91 0.11 -1.99 0.42 132.00 135.58 2aj3 h PRO 80 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2aj3 h PRO 80 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2aj3 h PRO 80 CO 0.64 0.08 -0.00 -0.85 -0.21 0.00 0.00 178.00 177.66 2aj3 n GLU 81 N -5.31 0.73 0.02 1.05 0.00 -1.26 -2.92 120.64 112.95 2aj3 n GLU 81 Ca 0.23 -0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.52 2aj3 n GLU 81 Cb 0.75 -1.50 0.46 0.00 0.00 0.00 0.00 31.44 31.16 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 -1.13 0.28 -4.54 -1.84 8.00 0.15 -4.58 116.55 112.88 2aj3 n ASP 82 Ca 0.19 0.28 -0.42 0.00 0.71 0.00 0.00 54.79 55.55 2aj3 n ASP 82 Cb 0.17 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 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 -3.02 2.72 0.00 1.24 0.40 -1.15 -4.84 117.98 113.32 2aj3 s PHE 83 Ca 0.12 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.30 2aj3 s PHE 83 Cb 0.17 -4.63 0.00 0.00 0.51 0.00 0.00 43.02 39.07 2aj3 s PHE 83 CO 0.60 -1.82 0.00 0.00 0.70 0.00 0.00 175.22 174.70 2aj3 n ALA 84 N 8.29 0.00 -2.73 5.36 0.00 -1.20 -4.89 120.51 125.34 2aj3 n ALA 84 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 2aj3 n ALA 84 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.02 4.51 -0.01 0.00 2.01 -1.10 -1.25 115.64 117.78 2aj3 s THR 85 Ca 0.00 -0.17 0.05 0.00 0.31 0.00 0.00 61.69 61.88 2aj3 s THR 85 Cb 0.00 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 2aj3 s THR 85 CO 0.00 0.59 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.06 2aj3 s TYR 86 N -0.78 2.64 -0.02 4.92 1.51 0.39 -0.65 117.35 125.36 2aj3 s TYR 86 Ca 0.12 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 2aj3 s TYR 86 Cb -0.12 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 2aj3 s TYR 86 CO 0.02 0.21 -0.04 0.71 -1.11 0.00 0.00 175.55 175.35 2aj3 s TYR 87 N -0.82 0.51 0.30 2.71 1.51 -0.77 -0.38 117.35 120.43 2aj3 s TYR 87 Ca 0.13 -0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.15 2aj3 s TYR 87 Cb -0.11 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.30 2aj3 s TYR 87 CO 0.03 -0.09 0.42 0.00 -1.11 0.00 0.00 175.55 174.80 2aj3 s GLN 89 N -4.09 0.59 0.21 0.00 0.74 0.54 -1.57 119.66 116.08 2aj3 s GLN 89 Ca 0.41 0.25 0.06 0.00 0.05 0.00 0.00 55.36 56.13 2aj3 s GLN 89 Cb -0.09 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.26 2aj3 s GLN 89 CO 0.30 -0.12 0.19 -3.38 -0.55 0.00 0.00 175.29 171.72 2aj3 s HIS 90 N -0.47 3.16 -0.27 1.67 -3.43 -1.03 0.08 115.29 115.00 2aj3 s HIS 90 Ca -0.06 -0.06 0.22 0.00 -0.80 0.00 0.00 55.06 54.36 2aj3 s HIS 90 Cb -0.04 -1.46 0.50 0.00 -1.43 0.00 0.00 32.58 30.15 2aj3 s HIS 90 CO 0.03 0.52 1.09 1.28 -2.00 0.00 0.00 174.74 175.65 2aj3 n LEU 91 N -0.86 1.52 0.04 5.38 4.32 -0.44 -4.15 117.00 122.80 2aj3 n LEU 91 Ca -0.08 -3.14 -0.20 0.00 -0.02 0.00 0.00 56.01 52.57 2aj3 n LEU 91 Cb 0.56 0.47 -0.10 0.00 -1.62 0.00 0.00 43.42 42.73 2aj3 n LEU 91 CO 0.43 1.13 0.09 0.50 -1.22 0.00 0.00 177.39 178.33 2aj3 h LYS 92 N 2.66 0.71 -1.53 3.23 1.63 -1.88 -3.47 116.57 117.92 2aj3 h LYS 92 Ca -0.14 -0.75 0.23 0.00 -0.85 0.00 0.00 60.65 59.14 2aj3 h LYS 92 Cb 1.26 0.21 -0.19 0.00 -0.60 0.00 0.00 32.23 32.90 2aj3 h LYS 92 CO 0.23 1.32 0.78 -0.98 -3.45 0.00 0.00 179.45 177.35 2aj3 s ARG 93 N -3.35 0.35 0.33 1.90 1.70 -1.26 -5.14 118.95 113.47 2aj3 s ARG 93 Ca -0.10 -0.10 -0.27 0.00 -0.47 0.00 0.00 55.73 54.79 2aj3 s ARG 93 Cb 0.07 0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 34.52 2aj3 s ARG 93 CO 0.92 -0.15 1.01 0.71 -1.08 0.00 0.00 175.30 176.71 2aj3 s TYR 94 N -2.30 3.58 0.15 5.89 2.02 -1.26 -3.64 117.35 121.79 2aj3 s TYR 94 Ca 0.08 1.74 -0.30 0.00 -0.37 0.00 0.00 57.07 58.23 2aj3 s TYR 94 Cb -0.01 -3.06 -0.07 0.00 -0.40 0.00 0.00 41.96 38.42 2aj3 s TYR 94 CO -0.05 -0.16 1.04 -1.25 -1.57 0.00 0.00 175.55 173.56 2aj3 s PRO 95 N -1.96 4.64 0.34 -1.71 0.04 -1.26 -5.11 135.00 129.99 2aj3 s PRO 95 Ca 0.50 1.60 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 2aj3 s PRO 95 Cb -0.23 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 30.90 2aj3 s PRO 95 CO 0.29 0.14 1.05 0.71 0.04 0.00 0.00 177.00 179.23 2aj3 s TYR 96 N -0.14 3.45 0.10 0.56 2.02 -1.24 -4.91 117.35 117.20 2aj3 s TYR 96 Ca 0.48 1.69 0.01 0.00 -0.37 0.00 0.00 57.07 58.89 2aj3 s TYR 96 Cb -0.27 -3.16 -0.04 0.00 -0.40 0.00 0.00 41.96 38.10 2aj3 s TYR 96 CO 0.32 -0.47 -0.05 0.95 -1.57 0.00 0.00 175.55 174.74 2aj3 s THR 97 N -1.46 0.60 0.29 -0.71 -4.23 -1.26 -5.02 115.64 103.85 2aj3 s THR 97 Ca 0.52 -1.92 0.10 0.00 -1.18 0.00 0.00 61.69 59.21 2aj3 s THR 97 Cb -0.25 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 2aj3 s THR 97 CO 0.32 -0.83 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.13 2aj3 s PHE 98 N -3.69 2.49 0.83 3.99 0.40 -1.26 -2.47 117.98 118.27 2aj3 s PHE 98 Ca 0.13 -0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 56.01 2aj3 s PHE 98 Cb 0.06 -1.19 0.09 0.00 0.51 0.00 0.00 43.02 42.49 2aj3 s PHE 98 CO -0.04 0.62 1.12 0.20 0.70 0.00 0.00 175.22 177.82 2aj3 s GLY 99 N -3.62 1.60 0.00 4.36 0.00 -0.61 -4.51 107.32 104.55 2aj3 s GLY 99 Ca 0.32 -0.38 0.15 0.00 0.00 0.00 0.00 44.72 44.81 2aj3 s GLY 99 CO 0.18 0.10 1.36 0.61 0.00 0.00 0.00 173.10 175.35 2aj3 n GLN 100 N -3.52 0.63 0.00 2.90 0.00 -1.26 -4.72 117.38 111.42 2aj3 n GLN 100 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.07 2aj3 n GLN 100 Cb 0.58 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.44 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 0.23 -1.17 2.75 2.61 0.00 -1.26 -5.00 105.19 103.35 2aj3 n GLY 101 Ca 0.12 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.97 0.37 -0.21 2.61 2.01 0.49 -4.61 115.64 113.33 2aj3 s THR 102 Ca 0.00 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 2aj3 s THR 102 Cb 0.00 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2aj3 s THR 102 CO 0.00 0.11 0.40 -0.75 -0.69 0.00 0.00 174.62 173.69 2aj3 s LYS 103 N 1.96 4.16 -0.26 4.92 2.20 0.22 -0.46 119.74 132.47 2aj3 s LYS 103 Ca 0.03 0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.78 2aj3 s LYS 103 Cb -0.14 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2aj3 s LYS 103 CO -0.06 -0.06 0.03 -1.17 -0.36 0.00 0.00 175.35 173.73 2aj3 s LEU 104 N 1.38 3.43 0.34 5.43 2.96 -0.38 -1.19 118.68 130.65 2aj3 s LEU 104 Ca 0.19 -0.56 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 2aj3 s LEU 104 Cb -0.15 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 2aj3 s LEU 104 CO 0.08 -0.11 -0.09 -1.83 -1.32 0.00 0.00 176.35 173.08 2aj3 s GLU 105 N 1.49 1.80 -0.05 1.98 4.04 -0.67 -3.27 118.70 124.02 2aj3 s GLU 105 Ca 0.04 -1.93 -0.23 0.00 0.04 0.00 0.00 54.97 52.89 2aj3 s GLU 105 Cb -0.16 -1.67 -0.04 0.00 0.02 0.00 0.00 34.13 32.28 2aj3 s GLU 105 CO 0.00 0.14 0.69 0.42 -1.84 0.00 0.00 175.26 174.67 2aj3 s ILE 106 N -2.63 5.00 0.29 1.83 1.01 -1.26 -2.02 121.20 123.41 2aj3 s ILE 106 Ca 0.32 1.44 -0.16 0.00 0.00 0.00 0.00 60.65 62.25 2aj3 s ILE 106 Cb 0.02 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 2aj3 s ILE 106 CO 0.16 0.28 0.72 -0.94 0.00 0.00 0.00 174.94 175.17 2aj3 s SER 107 N 0.60 6.84 0.35 3.58 1.04 -1.06 -4.86 113.70 120.19 2aj3 s SER 107 Ca 0.37 1.29 -0.13 0.00 0.48 0.00 0.00 55.95 57.96 2aj3 s SER 107 Cb -0.18 -2.38 0.05 0.00 0.10 0.00 0.00 66.02 63.62 2aj3 s SER 107 CO 0.18 -0.14 0.70 -2.11 0.98 0.00 0.00 173.24 172.86 2aj3 n ARG 108 N -0.06 1.01 -1.52 4.02 1.85 -1.26 -4.82 116.66 115.88 2aj3 n ARG 108 Ca 0.02 -2.02 -0.34 0.00 -1.00 0.00 0.00 57.85 54.51 2aj3 n ARG 108 Cb 0.53 2.50 0.08 0.00 -1.05 0.00 0.00 32.46 34.51 2aj3 n ARG 108 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2aj3 s THR 109 N -2.21 2.46 0.09 8.89 2.01 -1.26 -4.95 115.64 120.67 2aj3 s THR 109 Ca 0.15 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.07 2aj3 s THR 109 Cb -0.04 -2.80 -0.06 0.00 0.01 0.00 0.00 72.50 69.60 2aj3 s THR 109 CO 0.11 -0.12 1.23 0.68 -0.69 0.00 0.00 174.62 175.83 2aj3 s VAL 110 N -2.01 3.84 -0.08 3.82 -7.23 -1.26 -4.74 120.40 112.74 2aj3 s VAL 110 Ca 0.73 1.35 0.01 0.00 -1.81 0.00 0.00 61.98 62.27 2aj3 s VAL 110 Cb -0.28 -3.86 0.02 0.00 0.56 0.00 0.00 36.38 32.81 2aj3 s VAL 110 CO 0.44 0.12 -0.11 0.00 -0.31 0.00 0.00 175.10 175.25 2aj3 s ALA 111 N 0.88 1.27 0.50 1.32 0.00 0.76 -4.93 121.76 121.57 2aj3 s ALA 111 Ca 0.59 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 2aj3 s ALA 111 Cb -0.31 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.05 2aj3 s ALA 111 CO 0.31 -0.07 1.01 0.00 0.00 0.00 0.00 175.76 177.01 2aj3 s ALA 112 N 1.02 2.93 0.46 0.00 0.00 -1.26 -0.89 121.76 124.01 2aj3 s ALA 112 Ca -0.08 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.12 2aj3 s ALA 112 Cb -0.15 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 2aj3 s ALA 112 CO -0.00 -0.29 0.95 -1.25 0.00 0.00 0.00 175.76 175.16 2aj3 s PRO 113 N -3.57 4.09 -0.35 0.00 0.04 -1.26 -4.62 135.00 129.32 2aj3 s PRO 113 Ca 0.63 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.47 2aj3 s PRO 113 Cb -0.13 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2aj3 s PRO 113 CO 0.24 -0.11 0.67 -1.12 0.04 0.00 0.00 177.00 176.72 2aj3 s SER 114 N -2.57 6.47 -0.31 6.66 0.01 -0.95 -4.80 113.70 118.20 2aj3 s SER 114 Ca 0.60 0.23 -0.15 0.00 1.31 0.00 0.00 55.95 57.94 2aj3 s SER 114 Cb -0.09 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 2aj3 s SER 114 CO 0.21 -0.62 0.37 -0.69 0.41 0.00 0.00 173.24 172.92 2aj3 s VAL 115 N 2.79 5.17 0.09 3.43 1.01 -1.26 -1.36 120.40 130.27 2aj3 s VAL 115 Ca 0.26 0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.63 2aj3 s VAL 115 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2aj3 s VAL 115 CO 0.15 0.02 -0.26 -0.36 0.00 0.00 0.00 175.10 174.64 2aj3 s PHE 116 N 2.06 2.27 -0.02 5.22 0.08 -0.01 -4.95 117.98 122.63 2aj3 s PHE 116 Ca 0.13 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.84 2aj3 s PHE 116 Cb -0.16 -1.29 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 2aj3 s PHE 116 CO 0.11 0.24 -0.18 -1.50 -0.10 0.00 0.00 175.22 173.79 2aj3 s ILE 117 N -0.95 1.41 -0.27 0.64 2.07 -1.26 -0.12 121.20 122.72 2aj3 s ILE 117 Ca 0.12 -0.76 0.02 0.00 -1.41 0.00 0.00 60.65 58.63 2aj3 s ILE 117 Cb -0.10 -1.18 0.07 0.00 0.13 0.00 0.00 42.46 41.38 2aj3 s ILE 117 CO 0.04 0.40 -0.05 -0.36 -1.91 0.00 0.00 174.94 173.07 2aj3 s PHE 118 N -0.34 3.04 0.99 3.50 0.40 0.73 -5.00 117.98 121.30 2aj3 s PHE 118 Ca 0.05 -2.28 -0.12 0.00 -0.60 0.00 0.00 56.93 53.98 2aj3 s PHE 118 Cb -0.08 -2.04 0.18 0.00 0.51 0.00 0.00 43.02 41.60 2aj3 s PHE 118 CO -0.00 -0.86 1.08 -1.25 0.70 0.00 0.00 175.22 174.89 2aj3 s PRO 119 N 1.17 0.51 0.74 0.24 0.04 -1.26 -1.18 135.00 135.26 2aj3 s PRO 119 Ca -0.03 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 61.74 2aj3 s PRO 119 Cb -0.19 -1.72 0.04 0.00 0.04 0.00 0.00 34.50 32.67 2aj3 s PRO 119 CO -0.07 -2.77 1.22 -2.14 0.04 0.00 0.00 177.00 173.28 2aj3 s PRO 120 N -4.77 2.08 0.28 0.56 0.02 -1.23 -4.81 135.00 127.13 2aj3 s PRO 120 Ca 0.65 1.81 -0.20 0.00 0.02 0.00 0.00 61.00 63.28 2aj3 s PRO 120 Cb -0.21 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 2aj3 s PRO 120 CO 0.59 -1.89 0.79 -1.54 -0.33 0.00 0.00 177.00 174.62 2aj3 s SER 121 N -1.96 7.05 0.38 2.53 1.04 -1.26 -4.94 113.70 116.54 2aj3 s SER 121 Ca 0.75 1.50 0.13 0.00 0.48 0.00 0.00 55.95 58.81 2aj3 s SER 121 Cb -0.30 -2.45 0.93 0.00 0.10 0.00 0.00 66.02 64.30 2aj3 s SER 121 CO 0.46 -0.07 1.86 0.44 0.98 0.00 0.00 173.24 176.91 2aj3 h ASP 122 N 2.99 0.54 -0.72 7.02 3.32 -2.00 -1.09 116.42 126.48 2aj3 h ASP 122 Ca -0.48 0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.63 2aj3 h ASP 122 Cb 1.19 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 2aj3 h ASP 122 CO 0.65 0.25 0.47 -0.08 -1.72 0.00 0.00 179.24 178.81 2aj3 h GLU 123 N 0.56 0.93 -0.20 3.56 4.81 -2.02 -2.71 114.58 119.52 2aj3 h GLU 123 Ca 0.45 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.48 2aj3 h GLU 123 Cb 0.90 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2aj3 h GLU 123 CO -0.20 0.62 -0.51 0.37 -0.73 0.00 0.00 179.01 178.56 2aj3 h GLN 124 N 0.96 0.55 -0.30 1.92 4.15 -1.56 -3.07 115.11 117.76 2aj3 h GLN 124 Ca 0.27 -0.33 0.04 0.00 0.77 0.00 0.00 58.65 59.40 2aj3 h GLN 124 Cb -0.09 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 2aj3 h GLN 124 CO -0.06 0.93 0.21 -0.07 -1.93 0.00 0.00 178.83 177.90 2aj3 h LEU 125 N 0.43 0.21 -0.49 -2.39 3.38 -1.13 -2.46 115.31 112.86 2aj3 h LEU 125 Ca 0.02 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2aj3 h LEU 125 Cb 1.04 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 2aj3 h LEU 125 CO 0.10 0.14 -0.41 0.11 0.09 0.00 0.00 178.44 178.47 2aj3 h LYS 126 N 0.24 -0.26 -0.31 1.13 1.57 -1.41 -2.24 116.57 115.29 2aj3 h LYS 126 Ca 0.13 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 2aj3 h LYS 126 Cb 0.22 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 2aj3 h LYS 126 CO -0.02 -0.17 -0.20 0.66 -0.57 0.00 0.00 179.45 179.15 2aj3 h SER 127 N -0.27 -0.65 0.00 0.86 4.64 -1.61 -3.47 113.55 113.06 2aj3 h SER 127 Ca 0.17 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2aj3 h SER 127 Cb 0.57 0.33 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2aj3 h SER 127 CO -0.62 -0.23 0.00 0.61 -0.87 0.00 0.00 176.83 175.71 2aj3 n GLY 128 N -1.36 0.49 3.05 -0.77 0.00 -0.84 -5.05 105.19 100.71 2aj3 n GLY 128 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.69 -0.01 -0.09 2.61 -4.23 -1.26 -0.58 115.64 111.40 2aj3 s THR 129 Ca 0.00 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.54 2aj3 s THR 129 Cb 0.00 -0.28 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 2aj3 s THR 129 CO 0.00 0.01 -0.05 0.00 -0.54 0.00 0.00 174.62 174.05 2aj3 s ALA 130 N 0.35 3.04 -0.27 3.99 0.00 0.21 -4.23 121.76 124.86 2aj3 s ALA 130 Ca -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2aj3 s ALA 130 Cb -0.03 -1.35 0.07 0.00 0.00 0.00 0.00 23.12 21.81 2aj3 s ALA 130 CO -0.01 0.50 -0.07 -1.12 0.00 0.00 0.00 175.76 175.06 2aj3 s SER 131 N -0.58 4.33 -0.18 0.00 0.01 -1.26 -1.19 113.70 114.84 2aj3 s SER 131 Ca 0.09 -1.45 -0.13 0.00 1.31 0.00 0.00 55.95 55.77 2aj3 s SER 131 Cb -0.12 -1.45 -0.05 0.00 0.21 0.00 0.00 66.02 64.62 2aj3 s SER 131 CO 0.02 -0.23 0.24 -0.69 0.41 0.00 0.00 173.24 172.99 2aj3 s VAL 132 N 1.16 5.34 -0.11 3.43 1.01 -0.15 -3.55 120.40 127.52 2aj3 s VAL 132 Ca -0.05 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.39 2aj3 s VAL 132 Cb -0.19 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2aj3 s VAL 132 CO -0.06 0.39 -0.20 -0.69 0.00 0.00 0.00 175.10 174.55 2aj3 s VAL 133 N 0.51 2.46 -0.17 2.92 1.01 -0.32 0.08 120.40 126.89 2aj3 s VAL 133 Ca 0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2aj3 s VAL 133 Cb -0.12 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2aj3 s VAL 133 CO 0.02 0.55 -0.02 0.00 0.00 0.00 0.00 175.10 175.64 2aj3 s LEU 135 N 0.48 2.52 -0.34 0.00 2.96 0.83 -1.01 118.68 124.12 2aj3 s LEU 135 Ca -0.03 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.35 2aj3 s LEU 135 Cb -0.14 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 45.00 2aj3 s LEU 135 CO 0.03 0.09 0.14 -0.76 -1.32 0.00 0.00 176.35 174.52 2aj3 s LEU 136 N 0.80 4.37 -0.13 -0.68 1.02 -0.23 -0.83 118.68 122.99 2aj3 s LEU 136 Ca -0.05 -0.99 -0.04 0.00 0.02 0.00 0.00 54.13 53.08 2aj3 s LEU 136 Cb -0.15 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 2aj3 s LEU 136 CO 0.00 -0.32 -0.01 0.21 0.02 0.00 0.00 176.35 176.26 2aj3 s ASN 137 N 1.48 5.08 -0.50 2.29 2.47 -0.47 -0.06 114.94 125.23 2aj3 s ASN 137 Ca 0.01 0.00 -0.24 0.00 0.42 0.00 0.00 52.86 53.05 2aj3 s ASN 137 Cb -0.19 -1.69 0.03 0.00 -1.45 0.00 0.00 41.25 37.96 2aj3 s ASN 137 CO 0.04 0.25 0.64 0.59 -3.72 0.00 0.00 177.10 174.90 2aj3 n ASN 138 N 3.02 -6.48 -4.17 -4.21 5.03 -1.05 -2.25 115.26 105.15 2aj3 n ASN 138 Ca -0.18 0.01 -0.13 0.00 0.87 0.00 0.00 54.58 55.16 2aj3 n ASN 138 Cb 0.53 -3.26 -0.10 0.00 -1.02 0.00 0.00 39.78 35.92 2aj3 n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2aj3 s PHE 139 N -2.14 0.98 -0.11 3.10 -0.71 0.21 -4.55 117.98 114.76 2aj3 s PHE 139 Ca 0.27 -0.76 -0.09 0.00 -1.04 0.00 0.00 56.93 55.31 2aj3 s PHE 139 Cb -0.04 -0.54 0.03 0.00 -1.21 0.00 0.00 43.02 41.25 2aj3 s PHE 139 CO 0.83 -0.06 0.28 -0.47 -1.34 0.00 0.00 175.22 174.47 2aj3 s TYR 140 N -2.94 -0.32 1.29 3.49 6.14 -0.07 -0.29 117.35 124.64 2aj3 s TYR 140 Ca 0.08 0.77 -0.21 0.00 0.64 0.00 0.00 57.07 58.36 2aj3 s TYR 140 Cb 0.01 0.11 0.32 0.00 0.42 0.00 0.00 41.96 42.81 2aj3 s TYR 140 CO -0.02 -0.16 1.05 -2.14 0.64 0.00 0.00 175.55 174.92 2aj3 s PRO 141 N 0.27 -1.88 0.37 4.97 0.02 -1.26 -0.17 135.00 137.31 2aj3 s PRO 141 Ca -0.01 -0.00 0.17 0.00 0.02 0.00 0.00 61.00 61.18 2aj3 s PRO 141 Cb -0.03 -1.51 0.70 0.00 0.02 0.00 0.00 34.50 33.68 2aj3 s PRO 141 CO -0.01 -4.16 1.76 -0.09 -0.33 0.00 0.00 177.00 174.17 2aj3 h ARG 142 N -2.90 0.00 -6.66 5.54 2.43 -1.98 -3.44 114.38 107.36 2aj3 h ARG 142 Ca -0.44 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.20 2aj3 h ARG 142 Cb 1.31 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 30.92 2aj3 h ARG 142 CO 0.32 0.40 0.99 -1.91 -1.51 0.00 0.00 179.97 178.26 2aj3 n GLU 143 N -3.70 2.75 -3.64 0.20 2.13 -1.26 -4.97 120.64 112.15 2aj3 n GLU 143 Ca -0.01 0.99 -0.08 0.00 0.66 0.00 0.00 57.16 58.72 2aj3 n GLU 143 Cb 0.48 -2.83 -0.07 0.00 0.27 0.00 0.00 31.44 29.30 2aj3 n GLU 143 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aj3 s ALA 144 N 1.04 -2.01 0.03 4.31 0.00 -1.26 -4.64 121.76 119.23 2aj3 s ALA 144 Ca 0.74 1.91 0.08 0.00 0.00 0.00 0.00 51.96 54.69 2aj3 s ALA 144 Cb -0.51 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 2aj3 s ALA 144 CO 0.34 -0.25 -0.21 0.21 0.00 0.00 0.00 175.76 175.85 2aj3 s LYS 145 N 0.36 2.02 -0.05 0.00 2.20 -0.75 -5.00 119.74 118.52 2aj3 s LYS 145 Ca 0.02 -1.00 0.02 0.00 -0.36 0.00 0.00 55.97 54.65 2aj3 s LYS 145 Cb -0.05 -2.13 0.02 0.00 -1.51 0.00 0.00 37.83 34.16 2aj3 s LYS 145 CO -0.08 0.54 -0.07 0.08 -0.36 0.00 0.00 175.35 175.46 2aj3 s VAL 146 N -0.85 0.74 -0.07 4.02 1.01 -1.26 -1.07 120.40 122.92 2aj3 s VAL 146 Ca 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2aj3 s VAL 146 Cb -0.10 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.58 2aj3 s VAL 146 CO 0.03 0.27 -0.07 -1.10 0.00 0.00 0.00 175.10 174.23 2aj3 s GLN 147 N 0.76 1.28 0.15 2.72 -0.21 0.12 -4.98 119.66 119.50 2aj3 s GLN 147 Ca -0.12 -0.22 -0.21 0.00 0.02 0.00 0.00 55.36 54.83 2aj3 s GLN 147 Cb -0.14 -1.25 -0.08 0.00 1.00 0.00 0.00 33.01 32.54 2aj3 s GLN 147 CO 0.01 -0.13 0.68 -1.58 -2.12 0.00 0.00 175.29 172.16 2aj3 s TRP 148 N 1.19 3.80 -0.11 0.91 0.52 -1.26 -0.20 118.94 123.78 2aj3 s TRP 148 Ca -0.06 1.42 -0.01 0.00 0.02 0.00 0.00 56.10 57.47 2aj3 s TRP 148 Cb -0.14 -2.62 0.03 0.00 -1.15 0.00 0.00 33.47 29.60 2aj3 s TRP 148 CO -0.02 0.49 -0.02 0.15 0.02 0.00 0.00 176.95 177.57 2aj3 s LYS 149 N -1.38 0.97 -0.31 4.98 1.02 -0.17 0.07 119.74 124.93 2aj3 s LYS 149 Ca 0.35 -0.14 -0.10 0.00 0.02 0.00 0.00 55.97 56.10 2aj3 s LYS 149 Cb -0.20 -1.42 -0.01 0.00 -0.52 0.00 0.00 37.83 35.68 2aj3 s LYS 149 CO 0.22 -0.35 0.16 0.14 -0.92 0.00 0.00 175.35 174.60 2aj3 s VAL 150 N 1.84 4.74 -1.50 3.17 -7.23 -0.53 -0.22 120.40 120.68 2aj3 s VAL 150 Ca 0.04 -0.31 -0.12 0.00 -1.81 0.00 0.00 61.98 59.77 2aj3 s VAL 150 Cb -0.13 -3.39 0.08 0.00 0.56 0.00 0.00 36.38 33.50 2aj3 s VAL 150 CO -0.07 0.10 0.87 0.47 -0.31 0.00 0.00 175.10 176.16 2aj3 n ASP 151 N 5.00 -4.77 0.00 4.85 8.00 0.85 -1.30 116.55 129.17 2aj3 n ASP 151 Ca -0.14 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.69 2aj3 n ASP 151 Cb 0.50 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 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 -2.71 0.00 -4.70 -2.24 4.05 -1.26 -4.99 115.26 103.41 2aj3 n ASN 152 Ca 0.02 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.63 2aj3 n ASN 152 Cb 0.53 -0.03 -0.03 0.00 1.23 0.00 0.00 39.78 41.49 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 -0.80 3.71 0.13 5.20 0.00 -0.42 -4.90 121.76 124.69 2aj3 s ALA 153 Ca 0.00 1.26 -0.31 0.00 0.00 0.00 0.00 51.96 52.92 2aj3 s ALA 153 Cb 0.00 -3.67 -0.08 0.00 0.00 0.00 0.00 23.12 19.38 2aj3 s ALA 153 CO 0.00 -0.98 1.31 -0.51 0.00 0.00 0.00 175.76 175.58 2aj3 s LEU 154 N 2.07 4.39 0.35 0.00 1.43 -1.26 -1.46 118.68 124.21 2aj3 s LEU 154 Ca 0.72 2.27 -0.05 0.00 -1.03 0.00 0.00 54.13 56.04 2aj3 s LEU 154 Cb -0.41 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.17 2aj3 s LEU 154 CO 0.32 -0.55 0.63 -1.10 0.23 0.00 0.00 176.35 175.87 2aj3 s GLN 155 N 0.65 3.61 -0.29 1.70 -1.52 0.11 -4.94 119.66 118.99 2aj3 s GLN 155 Ca 0.60 0.05 -0.15 0.00 -1.95 0.00 0.00 55.36 53.91 2aj3 s GLN 155 Cb -0.35 -2.56 0.11 0.00 -0.22 0.00 0.00 33.01 29.99 2aj3 s GLN 155 CO 0.33 0.09 0.78 0.45 -0.25 0.00 0.00 175.29 176.68 2aj3 s SER 156 N -3.48 -0.84 0.00 5.90 0.15 -1.26 -4.66 113.70 109.51 2aj3 s SER 156 Ca 0.45 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2aj3 s SER 156 Cb -0.10 1.48 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 2aj3 s SER 156 CO 0.34 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2aj3 n GLY 157 N 4.35 0.69 0.72 9.45 0.00 -1.26 -4.88 105.19 114.26 2aj3 n GLY 157 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 1.59 -3.79 1.61 6.94 -1.26 -5.03 115.26 115.32 2aj3 n ASN 158 Ca 0.00 -3.42 -0.13 0.00 -0.02 0.00 0.00 54.58 51.01 2aj3 n ASN 158 Cb 0.00 -0.47 -0.10 0.00 -2.36 0.00 0.00 39.78 36.86 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 -2.91 -0.18 0.19 0.53 1.04 -1.26 -1.55 113.70 109.56 2aj3 s SER 159 Ca 0.36 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.99 2aj3 s SER 159 Cb 0.36 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.80 2aj3 s SER 159 CO -0.08 -0.33 -0.05 -1.10 0.98 0.00 0.00 173.24 172.66 2aj3 s GLN 160 N -0.92 1.21 0.26 4.02 -0.21 -0.92 -4.97 119.66 118.13 2aj3 s GLN 160 Ca -0.10 -1.57 -0.19 0.00 0.02 0.00 0.00 55.36 53.52 2aj3 s GLN 160 Cb -0.05 -0.61 0.02 0.00 1.00 0.00 0.00 33.01 33.37 2aj3 s GLN 160 CO 0.03 -0.02 0.64 -1.83 -2.12 0.00 0.00 175.29 171.98 2aj3 s GLU 161 N -3.81 1.66 0.04 2.91 -1.05 -1.26 -0.79 118.70 116.40 2aj3 s GLU 161 Ca 0.23 -1.01 -0.25 0.00 -0.15 0.00 0.00 54.97 53.79 2aj3 s GLU 161 Cb 0.04 0.57 0.06 0.00 -0.44 0.00 0.00 34.13 34.36 2aj3 s GLU 161 CO 0.05 -0.74 0.58 -1.54 0.95 0.00 0.00 175.26 174.56 2aj3 s SER 162 N -2.93 -0.53 0.11 0.83 1.04 -0.78 -5.00 113.70 106.43 2aj3 s SER 162 Ca 0.13 0.30 0.10 0.00 0.48 0.00 0.00 55.95 56.96 2aj3 s SER 162 Cb -0.04 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 2aj3 s SER 162 CO 0.05 -0.74 -0.26 -0.69 0.98 0.00 0.00 173.24 172.59 2aj3 s VAL 163 N -2.36 2.12 0.73 5.02 1.01 -1.26 -0.86 120.40 124.81 2aj3 s VAL 163 Ca -0.06 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 60.22 2aj3 s VAL 163 Cb -0.01 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.59 2aj3 s VAL 163 CO -0.01 0.12 1.04 0.42 0.00 0.00 0.00 175.10 176.68 2aj3 s THR 164 N -1.02 2.24 0.46 3.92 -4.23 -0.62 -4.99 115.64 111.39 2aj3 s THR 164 Ca 0.12 -0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.19 2aj3 s THR 164 Cb -0.10 -2.95 -0.08 0.00 1.34 0.00 0.00 72.50 70.71 2aj3 s THR 164 CO 0.05 0.00 0.90 -1.61 -0.54 0.00 0.00 174.62 173.42 2aj3 s GLU 165 N -5.30 3.95 0.04 3.99 0.41 -1.26 -4.55 118.70 115.98 2aj3 s GLU 165 Ca 0.62 0.83 -0.38 0.00 -0.41 0.00 0.00 54.97 55.63 2aj3 s GLU 165 Cb -0.09 -2.23 -0.18 0.00 -1.78 0.00 0.00 34.13 29.84 2aj3 s GLU 165 CO 0.45 -0.14 1.20 0.94 -0.49 0.00 0.00 175.26 177.22 2aj3 n GLN 166 N -1.27 0.55 -1.82 1.61 7.27 -1.26 -4.83 117.38 117.63 2aj3 n GLN 166 Ca 0.05 0.20 -0.37 0.00 0.07 0.00 0.00 57.00 56.95 2aj3 n GLN 166 Cb 0.54 -1.77 0.05 0.00 2.41 0.00 0.00 30.24 31.48 2aj3 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2aj3 s ASP 167 N 0.23 4.91 0.20 1.69 2.15 0.03 -4.91 116.67 120.97 2aj3 s ASP 167 Ca 0.88 2.61 0.03 0.00 0.43 0.00 0.00 52.55 56.50 2aj3 s ASP 167 Cb -1.12 -2.62 0.11 0.00 -0.30 0.00 0.00 42.92 38.99 2aj3 s ASP 167 CO 0.52 -1.80 1.46 -0.55 -0.17 0.00 0.00 175.17 174.63 2aj3 h ASN 168 N 0.87 0.25 0.00 -0.34 -1.07 -1.91 -2.94 115.58 110.44 2aj3 h ASN 168 Ca -0.51 -0.18 -0.01 0.00 0.07 0.00 0.00 56.30 55.68 2aj3 h ASN 168 Cb 1.32 -0.08 -0.00 0.00 -2.07 0.00 0.00 38.32 37.49 2aj3 h ASN 168 CO 0.55 0.91 -0.09 0.11 0.07 0.00 0.00 177.43 178.98 2aj3 h LYS 169 N 0.14 0.00 -0.33 4.14 1.79 -1.98 -3.41 116.57 116.92 2aj3 h LYS 169 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2aj3 h LYS 169 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2aj3 h LYS 169 CO 0.11 0.22 0.00 -0.40 -1.08 0.00 0.00 179.45 178.30 2aj3 n ASP 170 N -4.72 2.98 -1.93 0.86 5.68 -1.26 -4.98 116.55 113.18 2aj3 n ASP 170 Ca -0.04 -1.88 -0.16 0.00 -0.50 0.00 0.00 54.79 52.22 2aj3 n ASP 170 Cb 0.14 -0.21 -0.04 0.00 -1.14 0.00 0.00 41.12 39.87 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 0.95 -4.38 -4.98 -1.12 7.64 -1.11 -4.96 113.62 105.65 2aj3 n SER 171 Ca 0.14 0.25 -0.20 0.00 1.01 0.00 0.00 58.87 60.08 2aj3 n SER 171 Cb 0.47 -3.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.83 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 -2.54 3.99 0.26 0.44 -4.23 -1.26 -4.66 115.64 107.63 2aj3 s THR 172 Ca 0.00 -0.88 0.11 0.00 -1.18 0.00 0.00 61.69 59.74 2aj3 s THR 172 Cb 0.00 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 2aj3 s THR 172 CO 0.00 -0.19 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.41 2aj3 s TYR 173 N -2.28 2.37 0.12 3.99 1.51 0.60 -0.79 117.35 122.87 2aj3 s TYR 173 Ca 0.46 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 56.27 2aj3 s TYR 173 Cb -0.10 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 2aj3 s TYR 173 CO 0.33 0.65 -0.16 -1.12 -1.11 0.00 0.00 175.55 174.15 2aj3 s SER 174 N -3.34 2.12 0.01 2.29 0.01 -1.26 0.65 113.70 114.18 2aj3 s SER 174 Ca 0.28 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.79 2aj3 s SER 174 Cb -0.06 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 2aj3 s SER 174 CO 0.15 -0.09 -0.05 -0.22 0.41 0.00 0.00 173.24 173.43 2aj3 s LEU 175 N -2.30 2.09 -0.18 2.44 0.20 0.91 -1.59 118.68 120.25 2aj3 s LEU 175 Ca 0.08 -0.23 -0.00 0.00 0.69 0.00 0.00 54.13 54.66 2aj3 s LEU 175 Cb -0.06 -0.20 0.05 0.00 -0.43 0.00 0.00 46.19 45.54 2aj3 s LEU 175 CO 0.04 -0.03 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.46 2aj3 s SER 176 N -0.58 3.08 0.02 3.68 0.15 -0.04 -1.07 113.70 118.93 2aj3 s SER 176 Ca -0.02 -0.79 0.04 0.00 0.70 0.00 0.00 55.95 55.87 2aj3 s SER 176 Cb -0.04 -0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 63.26 2aj3 s SER 176 CO -0.00 -0.20 -0.06 -0.55 1.20 0.00 0.00 173.24 173.63 2aj3 s SER 177 N 1.58 4.67 -0.07 5.45 0.15 -0.18 -1.87 113.70 123.43 2aj3 s SER 177 Ca -0.01 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.50 2aj3 s SER 177 Cb -0.16 -1.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.08 2aj3 s SER 177 CO -0.08 0.27 -0.11 -0.89 1.20 0.00 0.00 173.24 173.63 2aj3 s THR 178 N -1.04 1.09 -0.35 6.45 2.01 0.03 -0.67 115.64 123.15 2aj3 s THR 178 Ca 0.18 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 2aj3 s THR 178 Cb -0.11 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.39 2aj3 s THR 178 CO 0.09 0.35 0.20 -0.22 -0.69 0.00 0.00 174.62 174.35 2aj3 s LEU 179 N 0.74 4.50 -0.41 4.42 2.96 0.11 -2.16 118.68 128.84 2aj3 s LEU 179 Ca -0.13 -0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 52.95 2aj3 s LEU 179 Cb -0.16 -2.05 0.06 0.00 0.50 0.00 0.00 46.19 44.55 2aj3 s LEU 179 CO 0.03 -0.30 0.26 -0.89 -1.32 0.00 0.00 176.35 174.13 2aj3 s THR 180 N 1.61 4.46 0.30 3.68 2.01 -0.60 -0.98 115.64 126.12 2aj3 s THR 180 Ca 0.04 -1.19 0.10 0.00 0.31 0.00 0.00 61.69 60.95 2aj3 s THR 180 Cb -0.18 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 2aj3 s THR 180 CO 0.07 -0.43 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.67 2aj3 s LEU 181 N 1.49 2.62 0.78 4.42 1.43 -0.33 -4.86 118.68 124.24 2aj3 s LEU 181 Ca 0.03 -1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 2aj3 s LEU 181 Cb -0.22 -0.95 0.06 0.00 0.03 0.00 0.00 46.19 45.10 2aj3 s LEU 181 CO 0.04 -0.12 1.10 -0.94 0.23 0.00 0.00 176.35 176.65 2aj3 s SER 182 N -3.52 4.67 0.10 2.29 1.04 -1.26 0.67 113.70 117.70 2aj3 s SER 182 Ca 0.30 1.29 -0.20 0.00 0.48 0.00 0.00 55.95 57.82 2aj3 s SER 182 Cb -0.01 -2.04 -0.09 0.00 0.10 0.00 0.00 66.02 63.99 2aj3 s SER 182 CO 0.14 -1.85 1.70 0.50 0.98 0.00 0.00 173.24 174.71 2aj3 h LYS 183 N -1.01 0.24 0.00 4.02 3.64 -1.14 -0.42 116.57 121.91 2aj3 h LYS 183 Ca -0.47 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 2aj3 h LYS 183 Cb 1.26 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2aj3 h LYS 183 CO 0.60 0.24 -0.24 0.00 -2.27 0.00 0.00 179.45 177.77 2aj3 h ALA 184 N 0.99 1.53 0.00 5.00 0.00 -1.93 -0.60 119.26 124.24 2aj3 h ALA 184 Ca 0.06 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2aj3 h ALA 184 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2aj3 h ALA 184 CO -0.01 0.30 -0.67 -0.44 0.00 0.00 0.00 179.25 178.43 2aj3 h ASP 185 N 0.00 0.00 0.09 0.00 5.19 -1.83 -3.02 116.42 116.85 2aj3 h ASP 185 Ca -0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.14 2aj3 h ASP 185 Cb 0.45 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.99 2aj3 h ASP 185 CO 0.03 0.67 -1.09 0.22 -3.12 0.00 0.00 179.24 175.96 2aj3 h TYR 186 N 0.00 0.93 0.00 4.55 3.20 -0.24 -3.15 116.97 122.26 2aj3 h TYR 186 Ca -0.01 -0.57 0.00 0.00 3.14 0.00 0.00 58.73 61.30 2aj3 h TYR 186 Cb 1.35 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2aj3 h TYR 186 CO 0.00 1.41 0.00 0.39 -1.64 0.00 0.00 178.16 178.32 2aj3 n GLU 187 N -3.89 0.71 0.12 1.82 1.02 -0.31 -3.00 120.64 117.10 2aj3 n GLU 187 Ca -0.13 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.10 2aj3 n GLU 187 Cb 0.91 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.85 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 0.00 0.00 -5.64 3.49 1.57 -1.48 -3.48 116.57 111.03 2aj3 h LYS 188 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2aj3 h LYS 188 Cb 0.06 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.24 2aj3 h LYS 188 CO 0.00 0.14 -0.66 -1.01 -0.57 0.00 0.00 179.45 177.35 2aj3 s HIS 189 N -3.17 2.19 -0.11 -1.35 3.76 -1.16 -5.09 115.29 110.35 2aj3 s HIS 189 Ca 0.01 -0.66 -0.13 0.00 -0.15 0.00 0.00 55.06 54.13 2aj3 s HIS 189 Cb 0.08 -1.32 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 2aj3 s HIS 189 CO 0.76 0.38 -0.26 1.63 -0.85 0.00 0.00 174.74 176.40 2aj3 n LYS 190 N -0.72 0.39 -2.80 1.40 5.02 -1.26 -4.70 118.16 115.49 2aj3 n LYS 190 Ca -0.05 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 2aj3 n LYS 190 Cb 0.64 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.44 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 -2.61 4.81 -0.32 -0.18 1.01 -1.26 -0.50 120.40 121.35 2aj3 s VAL 191 Ca -0.22 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.56 2aj3 s VAL 191 Cb 0.03 -4.20 0.08 0.00 0.00 0.00 0.00 36.38 32.29 2aj3 s VAL 191 CO 0.32 -0.04 0.02 -0.31 0.00 0.00 0.00 175.10 175.09 2aj3 s TYR 192 N 2.50 3.49 -0.10 5.22 2.02 -0.98 -0.11 117.35 129.39 2aj3 s TYR 192 Ca 0.41 -2.48 -0.02 0.00 -0.37 0.00 0.00 57.07 54.61 2aj3 s TYR 192 Cb -0.16 -2.52 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 2aj3 s TYR 192 CO 0.11 -0.90 -0.02 0.00 -1.57 0.00 0.00 175.55 173.16 2aj3 s ALA 193 N 1.07 3.16 -0.35 3.71 0.00 0.70 -2.89 121.76 127.15 2aj3 s ALA 193 Ca 0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 2aj3 s ALA 193 Cb -0.20 -1.45 0.07 0.00 0.00 0.00 0.00 23.12 21.54 2aj3 s ALA 193 CO -0.05 0.50 0.10 0.00 0.00 0.00 0.00 175.76 176.31 2aj3 s GLU 195 N 1.26 3.81 -0.18 0.00 2.12 0.71 -2.09 118.70 124.34 2aj3 s GLU 195 Ca 0.00 -0.14 -0.06 0.00 0.36 0.00 0.00 54.97 55.14 2aj3 s GLU 195 Cb -0.21 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 2aj3 s GLU 195 CO -0.01 -0.41 0.02 0.08 -0.54 0.00 0.00 175.26 174.40 2aj3 s VAL 196 N 2.10 4.33 -0.22 3.70 1.01 0.42 -0.70 120.40 131.04 2aj3 s VAL 196 Ca 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2aj3 s VAL 196 Cb -0.16 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 2aj3 s VAL 196 CO 0.11 0.46 -0.05 -0.89 0.00 0.00 0.00 175.10 174.72 2aj3 s THR 197 N 0.57 3.23 0.04 3.92 2.01 -0.23 -1.28 115.64 123.91 2aj3 s THR 197 Ca 0.01 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 2aj3 s THR 197 Cb -0.14 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 69.90 2aj3 s THR 197 CO 0.02 0.39 0.28 -2.28 -0.69 0.00 0.00 174.62 172.33 2aj3 s HIS 198 N 1.45 -0.06 0.25 4.92 2.46 -1.26 -1.81 115.29 121.24 2aj3 s HIS 198 Ca 0.05 -0.10 -0.03 0.00 0.47 0.00 0.00 55.06 55.44 2aj3 s HIS 198 Cb -0.15 0.06 0.42 0.00 -0.13 0.00 0.00 32.58 32.79 2aj3 s HIS 198 CO -0.04 -0.49 1.82 0.37 -2.47 0.00 0.00 174.74 173.93 2aj3 h GLN 199 N 3.26 0.81 0.00 2.88 4.15 -1.91 -1.14 115.11 123.16 2aj3 h GLN 199 Ca -0.32 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2aj3 h GLN 199 Cb 1.20 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2aj3 h GLN 199 CO 0.47 0.54 0.00 0.41 -1.93 0.00 0.00 178.83 178.31 2aj3 n GLY 200 N -1.33 -0.84 3.19 2.39 0.00 -1.26 -4.42 105.19 102.92 2aj3 n GLY 200 Ca 0.14 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.57 4.69 0.43 0.99 1.43 -0.43 -4.67 118.68 118.55 2aj3 s LEU 201 Ca 0.16 -1.55 0.27 0.00 -1.03 0.00 0.00 54.13 51.98 2aj3 s LEU 201 Cb 0.11 -1.84 1.33 0.00 0.03 0.00 0.00 46.19 45.83 2aj3 s LEU 201 CO 0.26 -0.42 1.68 0.77 0.23 0.00 0.00 176.35 178.86 2aj3 h SER 202 N 8.14 0.29 -4.56 2.29 4.64 -1.80 -3.40 113.55 119.15 2aj3 h SER 202 Ca -0.19 0.11 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 2aj3 h SER 202 Cb 1.06 0.08 -0.22 0.00 -0.31 0.00 0.00 62.40 63.01 2aj3 h SER 202 CO 0.65 -0.08 -0.42 -0.44 -0.87 0.00 0.00 176.83 175.67 2aj3 s SER 203 N -4.77 -0.13 0.06 4.97 0.01 -1.26 -5.10 113.70 107.48 2aj3 s SER 203 Ca -0.08 0.11 -0.37 0.00 1.31 0.00 0.00 55.95 56.92 2aj3 s SER 203 Cb 0.28 0.33 -0.19 0.00 0.21 0.00 0.00 66.02 66.66 2aj3 s SER 203 CO 0.81 -0.28 1.09 -2.65 0.41 0.00 0.00 173.24 172.62 2aj3 n PRO 204 N 1.96 0.39 -3.85 12.44 -0.02 -1.26 -4.94 135.00 139.71 2aj3 n PRO 204 Ca -0.19 0.14 -0.31 0.00 -2.02 0.00 0.00 63.50 61.12 2aj3 n PRO 204 Cb 0.57 -1.63 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 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 0.01 5.33 -0.13 -1.45 1.01 -0.40 -4.88 120.40 119.89 2aj3 s VAL 205 Ca 0.85 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.57 2aj3 s VAL 205 Cb -1.12 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 31.65 2aj3 s VAL 205 CO 0.54 0.12 -0.13 -0.89 0.00 0.00 0.00 175.10 174.74 2aj3 s THR 206 N -1.54 1.40 -0.17 3.92 2.01 -1.26 -0.43 115.64 119.56 2aj3 s THR 206 Ca 0.36 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.82 2aj3 s THR 206 Cb -0.13 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.06 2aj3 s THR 206 CO 0.27 0.43 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.72 2aj3 s LYS 207 N 1.37 3.16 0.26 4.92 2.47 -0.89 -4.95 119.74 126.09 2aj3 s LYS 207 Ca 0.01 -0.76 0.03 0.00 -1.56 0.00 0.00 55.97 53.69 2aj3 s LYS 207 Cb -0.13 -2.67 -0.01 0.00 -1.46 0.00 0.00 37.83 33.56 2aj3 s LYS 207 CO -0.07 -0.10 0.29 -1.13 0.16 0.00 0.00 175.35 174.50 2aj3 n SER 208 N 4.37 -0.78 -3.77 1.43 3.41 -1.26 -1.19 113.62 115.84 2aj3 n SER 208 Ca -0.20 -2.59 -0.09 0.00 -0.26 0.00 0.00 58.87 55.73 2aj3 n SER 208 Cb 0.51 1.60 -0.04 0.00 -0.26 0.00 0.00 64.21 66.02 2aj3 n SER 208 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2aj3 s PHE 209 N -3.19 -0.08 -0.20 7.33 -0.71 -1.14 -5.01 117.98 114.98 2aj3 s PHE 209 Ca 0.27 -0.27 -0.07 0.00 -1.04 0.00 0.00 56.93 55.83 2aj3 s PHE 209 Cb 0.00 0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 2aj3 s PHE 209 CO 0.19 -0.94 0.04 -0.80 -1.34 0.00 0.00 175.22 172.37 2aj3 s ASN 210 N -2.89 5.30 0.21 1.98 0.02 -1.26 -2.33 114.94 115.97 2aj3 s ASN 210 Ca 0.10 -0.05 -0.32 0.00 -1.02 0.00 0.00 52.86 51.57 2aj3 s ASN 210 Cb -0.01 -1.91 -0.13 0.00 0.02 0.00 0.00 41.25 39.21 2aj3 s ASN 210 CO -0.01 0.11 1.49 -1.14 0.02 0.00 0.00 177.10 177.57 2aj3 n ARG 211 N 3.94 2.14 -3.10 -0.60 0.63 0.34 -2.80 116.66 117.22 2aj3 n ARG 211 Ca -0.17 0.77 -0.14 0.00 -0.92 0.00 0.00 57.85 57.40 2aj3 n ARG 211 Cb 0.52 -2.48 0.07 0.00 0.45 0.00 0.00 32.46 31.02 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 2.67 -0.57 0.00 5.14 0.00 -1.26 -4.96 105.19 106.21 2aj3 n GLY 212 Ca 0.13 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2aj3 n GLY 212 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11