#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj3 s SER 2 N 0.00 2.61 -0.06 1.61 0.15 -1.26 -5.14 113.70 111.61 2dj3 s SER 2 Ca 0.00 -0.83 -0.01 0.00 0.70 0.00 0.00 55.95 55.81 2dj3 s SER 2 Cb 0.00 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.19 2dj3 s SER 2 CO 0.00 -0.03 0.00 -0.44 1.20 0.00 0.00 173.24 173.97 2dj3 s SER 3 N -2.53 1.40 0.03 5.45 0.01 -1.26 -5.14 113.70 111.65 2dj3 s SER 3 Ca 0.14 -0.07 0.06 0.00 1.31 0.00 0.00 55.95 57.39 2dj3 s SER 3 Cb -0.06 -0.41 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 2dj3 s SER 3 CO 0.06 -0.17 -0.19 -0.83 0.41 0.00 0.00 173.24 172.52 2dj3 s GLY 4 N 1.80 1.00 -1.13 3.44 0.00 -1.26 -5.05 107.32 106.12 2dj3 s GLY 4 Ca 0.02 -0.95 -0.25 0.00 0.00 0.00 0.00 44.72 43.55 2dj3 s GLY 4 CO -0.04 -0.87 2.02 -0.56 0.00 0.00 0.00 173.10 173.65 2dj3 s SER 5 N -0.98 4.29 0.34 1.64 0.01 -1.26 -4.82 113.70 112.92 2dj3 s SER 5 Ca 0.06 -1.32 0.07 0.00 1.31 0.00 0.00 55.95 56.08 2dj3 s SER 5 Cb -0.08 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 2dj3 s SER 5 CO 0.01 -3.86 0.28 -0.44 0.41 0.00 0.00 173.24 169.64 2dj3 s SER 6 N 7.49 1.80 1.15 2.44 0.01 -1.26 -5.15 113.70 120.18 2dj3 s SER 6 Ca 0.75 -1.77 -0.18 0.00 1.31 0.00 0.00 55.95 56.06 2dj3 s SER 6 Cb -0.03 0.57 0.16 0.00 0.21 0.00 0.00 66.02 66.93 2dj3 s SER 6 CO 0.15 -1.07 0.24 0.61 0.41 0.00 0.00 173.24 173.58 2dj3 n GLY 7 N -0.65 -2.53 0.17 3.44 0.00 -1.26 -4.93 105.19 99.42 2dj3 n GLY 7 Ca 0.07 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 2dj3 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj3 h PRO 8 N -2.35 0.50 -6.32 1.61 0.13 -1.97 -3.43 132.00 120.17 2dj3 h PRO 8 Ca -0.52 -0.26 -0.55 0.00 -0.87 0.00 0.00 66.00 63.80 2dj3 h PRO 8 Cb 1.30 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2dj3 h PRO 8 CO 0.37 0.84 1.00 0.08 -0.23 0.00 0.00 178.00 180.06 2dj3 s VAL 9 N -4.33 3.55 0.33 1.56 1.01 -1.26 -4.66 120.40 116.60 2dj3 s VAL 9 Ca -0.13 0.81 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 2dj3 s VAL 9 Cb 0.07 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2dj3 s VAL 9 CO 0.78 -0.04 1.10 -0.75 0.00 0.00 0.00 175.10 176.19 2dj3 s LYS 10 N 3.33 4.41 -0.13 2.72 2.20 -1.13 -4.83 119.74 126.31 2dj3 s LYS 10 Ca 0.70 1.74 -0.07 0.00 -0.36 0.00 0.00 55.97 57.98 2dj3 s LYS 10 Cb -0.33 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2dj3 s LYS 10 CO 0.28 0.03 0.12 0.14 -0.36 0.00 0.00 175.35 175.55 2dj3 s VAL 11 N -1.33 5.29 0.02 4.02 -7.23 -1.26 0.14 120.40 120.05 2dj3 s VAL 11 Ca 0.50 0.13 0.08 0.00 -1.81 0.00 0.00 61.98 60.88 2dj3 s VAL 11 Cb -0.29 -3.32 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 2dj3 s VAL 11 CO 0.37 0.58 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.84 2dj3 s VAL 12 N -0.71 2.50 0.37 1.32 1.01 0.13 -4.89 120.40 120.13 2dj3 s VAL 12 Ca 0.13 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 60.99 2dj3 s VAL 12 Cb -0.12 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 2dj3 s VAL 12 CO 0.03 0.41 -0.02 0.68 0.00 0.00 0.00 175.10 176.20 2dj3 s VAL 13 N -0.82 1.95 0.47 2.92 -7.23 -1.26 -4.38 120.40 112.04 2dj3 s VAL 13 Ca 0.13 -2.07 0.19 0.00 -1.81 0.00 0.00 61.98 58.42 2dj3 s VAL 13 Cb -0.10 -2.83 0.36 0.00 0.56 0.00 0.00 36.38 34.37 2dj3 s VAL 13 CO 0.03 -0.08 1.97 1.23 -0.31 0.00 0.00 175.10 177.93 2dj3 h GLY 14 N 1.93 0.39 1.68 2.32 0.00 -1.94 1.30 103.07 108.75 2dj3 h GLY 14 Ca -0.43 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2dj3 h GLY 14 CO 0.75 0.04 -0.21 0.58 0.00 0.00 0.00 176.54 177.71 2dj3 n LYS 15 N -4.44 0.18 -0.26 4.80 2.85 -1.26 -3.62 118.16 116.40 2dj3 n LYS 15 Ca 0.11 0.11 0.07 0.00 -1.05 0.00 0.00 58.31 57.55 2dj3 n LYS 15 Cb 0.52 -1.67 0.10 0.00 -0.65 0.00 0.00 35.03 33.33 2dj3 n LYS 15 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2dj3 n THR 16 N -1.96 1.29 -0.07 0.58 -2.24 0.11 -4.79 114.28 107.20 2dj3 n THR 16 Ca 0.05 -1.60 -0.07 0.00 -2.27 0.00 0.00 64.05 60.17 2dj3 n THR 16 Cb 0.40 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 2dj3 n THR 16 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2dj3 h PHE 17 N 0.08 0.00 0.00 4.78 3.57 0.14 -2.42 116.94 123.09 2dj3 h PHE 17 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2dj3 h PHE 17 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 2dj3 h PHE 17 CO 0.07 0.36 0.00 -0.25 -2.23 0.00 0.00 178.31 176.27 2dj3 n ASP 18 N -4.66 0.00 -0.12 0.41 9.92 -1.26 -0.95 116.55 119.89 2dj3 n ASP 18 Ca -0.08 0.33 -0.23 0.00 -0.53 0.00 0.00 54.79 54.28 2dj3 n ASP 18 Cb 0.25 -0.39 -0.11 0.00 -0.64 0.00 0.00 41.12 40.23 2dj3 n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dj3 n ALA 19 N -1.39 1.25 -0.09 2.24 0.00 -1.25 -4.25 120.51 117.03 2dj3 n ALA 19 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2dj3 n ALA 19 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2dj3 n ALA 19 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dj3 n ILE 20 N -3.76 0.00 0.01 0.00 5.41 -0.91 -3.46 119.36 116.65 2dj3 n ILE 20 Ca -0.48 0.46 0.23 0.00 1.00 0.00 0.00 62.75 63.96 2dj3 n ILE 20 Cb 0.93 -1.43 0.69 0.00 -0.71 0.00 0.00 39.64 39.12 2dj3 n ILE 20 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dj3 h VAL 21 N 0.00 0.30 -0.79 1.39 2.07 -1.20 0.31 116.25 118.33 2dj3 h VAL 21 Ca 0.00 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.95 2dj3 h VAL 21 Cb 0.00 0.51 -0.38 0.00 -1.52 0.00 0.00 31.29 29.90 2dj3 h VAL 21 CO 0.00 0.00 -0.34 0.23 0.02 0.00 0.00 177.57 177.48 2dj3 n MET 22 N -3.65 3.29 -2.74 1.57 2.81 -0.50 -4.64 117.12 113.26 2dj3 n MET 22 Ca 0.11 -3.89 -0.43 0.00 -1.81 0.00 0.00 57.70 51.68 2dj3 n MET 22 Cb 0.83 -2.26 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 2dj3 n MET 22 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2dj3 s ASP 23 N -3.09 6.56 0.00 7.83 2.15 0.11 -4.65 116.67 125.58 2dj3 s ASP 23 Ca 0.54 0.27 0.02 0.00 0.43 0.00 0.00 52.55 53.81 2dj3 s ASP 23 Cb 0.44 -2.49 0.12 0.00 -0.30 0.00 0.00 42.92 40.69 2dj3 s ASP 23 CO 0.02 -1.12 0.60 -0.81 -0.17 0.00 0.00 175.17 173.69 2dj3 n PRO 24 N 7.40 0.49 -0.06 4.34 -0.04 -1.26 -2.52 135.00 143.35 2dj3 n PRO 24 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 2dj3 n PRO 24 Cb 0.49 -1.06 -0.14 0.00 -0.04 0.00 0.00 33.50 32.74 2dj3 n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dj3 n LYS 25 N -0.56 0.69 -3.67 0.54 5.02 -1.26 -4.64 118.16 114.27 2dj3 n LYS 25 Ca 0.02 0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.39 2dj3 n LYS 25 Cb 0.01 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.34 2dj3 n LYS 25 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2dj3 s LYS 26 N -2.54 1.18 -0.15 1.97 -2.85 -1.05 -4.98 119.74 111.33 2dj3 s LYS 26 Ca -0.20 -0.76 -0.29 0.00 -1.00 0.00 0.00 55.97 53.71 2dj3 s LYS 26 Cb 0.07 0.49 -0.00 0.00 -2.06 0.00 0.00 37.83 36.33 2dj3 s LYS 26 CO 0.74 -0.48 1.02 -0.51 0.10 0.00 0.00 175.35 176.22 2dj3 s ASP 27 N -2.83 7.20 -0.21 0.03 1.01 -1.15 -4.09 116.67 116.62 2dj3 s ASP 27 Ca 0.05 1.48 -0.04 0.00 0.71 0.00 0.00 52.55 54.75 2dj3 s ASP 27 Cb 0.01 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 2dj3 s ASP 27 CO -0.09 -0.52 -0.04 -0.69 0.21 0.00 0.00 175.17 174.05 2dj3 s VAL 28 N 2.39 3.48 -0.63 -1.27 1.01 -1.04 -3.27 120.40 121.06 2dj3 s VAL 28 Ca 0.47 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 2dj3 s VAL 28 Cb -0.17 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.68 2dj3 s VAL 28 CO 0.14 0.43 1.08 -0.22 0.00 0.00 0.00 175.10 176.52 2dj3 s LEU 29 N 1.35 3.83 -0.12 3.92 2.96 -1.13 -2.52 118.68 126.96 2dj3 s LEU 29 Ca 0.04 -0.47 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 2dj3 s LEU 29 Cb -0.14 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2dj3 s LEU 29 CO -0.02 -1.49 0.46 -0.51 -1.32 0.00 0.00 176.35 173.48 2dj3 s ILE 30 N 4.61 5.20 -0.27 6.68 1.10 0.52 -1.35 121.20 137.70 2dj3 s ILE 30 Ca 0.31 0.91 0.02 0.00 -0.51 0.00 0.00 60.65 61.39 2dj3 s ILE 30 Cb -0.12 -3.80 0.07 0.00 0.15 0.00 0.00 42.46 38.76 2dj3 s ILE 30 CO 0.17 0.33 -0.07 -0.70 -2.11 0.00 0.00 174.94 172.57 2dj3 s GLU 31 N 0.60 1.93 -0.50 3.50 -6.30 -0.98 0.66 118.70 117.60 2dj3 s GLU 31 Ca 0.25 -1.33 -0.28 0.00 -2.50 0.00 0.00 54.97 51.11 2dj3 s GLU 31 Cb -0.15 -2.83 0.01 0.00 0.00 0.00 0.00 34.13 31.16 2dj3 s GLU 31 CO 0.10 -0.64 1.44 -0.06 0.02 0.00 0.00 175.26 176.11 2dj3 s PHE 32 N 1.16 2.30 0.19 5.30 0.08 0.19 -2.22 117.98 124.98 2dj3 s PHE 32 Ca -0.05 0.57 0.07 0.00 0.12 0.00 0.00 56.93 57.64 2dj3 s PHE 32 Cb -0.19 -4.34 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 2dj3 s PHE 32 CO -0.06 -2.01 0.05 1.52 -0.10 0.00 0.00 175.22 174.62 2dj3 s TYR 33 N 5.94 2.92 -0.11 0.36 -0.85 -0.89 -2.34 117.35 122.37 2dj3 s TYR 33 Ca 0.57 -0.12 0.03 0.00 -0.52 0.00 0.00 57.07 57.03 2dj3 s TYR 33 Cb -0.12 -1.38 0.01 0.00 0.38 0.00 0.00 41.96 40.84 2dj3 s TYR 33 CO 0.28 0.53 -0.19 0.00 -1.52 0.00 0.00 175.55 174.66 2dj3 s ALA 34 N -1.86 1.89 -2.00 9.51 0.00 -1.26 -4.27 121.76 123.77 2dj3 s ALA 34 Ca 0.29 -0.84 0.13 0.00 0.00 0.00 0.00 51.96 51.54 2dj3 s ALA 34 Cb -0.09 -0.83 0.75 0.00 0.00 0.00 0.00 23.12 22.95 2dj3 s ALA 34 CO 0.21 0.06 1.17 -0.35 0.00 0.00 0.00 175.76 176.85 2dj3 n PRO 35 N 3.93 0.49 -0.11 0.00 -0.04 -1.26 -1.98 135.00 136.02 2dj3 n PRO 35 Ca -0.20 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.35 2dj3 n PRO 35 Cb 0.52 -1.40 0.12 0.00 -0.04 0.00 0.00 33.50 32.70 2dj3 n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dj3 n TRP 36 N -0.90 0.00 -5.19 0.54 4.27 -1.26 -5.01 117.44 109.89 2dj3 n TRP 36 Ca 0.09 -0.88 -0.31 0.00 -3.89 0.00 0.00 57.50 52.51 2dj3 n TRP 36 Cb 0.04 -0.14 -0.17 0.00 -1.36 0.00 0.00 31.31 29.69 2dj3 n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dj3 h GLY 38 N 6.60 0.81 -0.07 0.00 0.00 -1.95 -3.10 103.07 105.37 2dj3 h GLY 38 Ca -0.22 -0.80 0.24 0.00 0.00 0.00 0.00 47.33 46.55 2dj3 h GLY 38 CO 0.47 0.72 0.62 0.45 0.00 0.00 0.00 176.54 178.80 2dj3 h HIS 39 N 0.51 0.91 -0.17 5.60 3.86 -1.95 0.51 115.15 124.42 2dj3 h HIS 39 Ca 0.06 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2dj3 h HIS 39 Cb 0.82 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2dj3 h HIS 39 CO 0.07 0.10 -0.09 0.00 0.86 0.00 0.00 177.93 178.87 2dj3 h LYS 41 N 0.25 0.12 0.00 0.00 1.57 -0.04 0.95 116.57 119.42 2dj3 h LYS 41 Ca 0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2dj3 h LYS 41 Cb 0.32 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2dj3 h LYS 41 CO 0.02 0.21 -0.06 -0.56 -0.57 0.00 0.00 179.45 178.49 2dj3 h GLN 42 N 0.00 0.00 0.00 3.15 3.07 -1.32 -2.44 115.11 117.57 2dj3 h GLN 42 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 2dj3 h GLN 42 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 2dj3 h GLN 42 CO -0.00 0.06 -1.25 -0.11 0.09 0.00 0.00 178.83 177.61 2dj3 n LEU 43 N -3.21 0.54 -0.12 0.06 7.94 -0.85 -4.24 117.00 117.12 2dj3 n LEU 43 Ca -0.00 -0.04 -0.09 0.00 -1.11 0.00 0.00 56.01 54.76 2dj3 n LEU 43 Cb 0.30 -0.06 -0.04 0.00 0.53 0.00 0.00 43.42 44.15 2dj3 n LEU 43 CO 0.28 0.04 0.59 -0.33 -1.11 0.00 0.00 177.39 176.86 2dj3 h GLU 44 N 0.00 -0.31 -0.36 1.96 4.39 0.14 0.28 114.58 120.70 2dj3 h GLU 44 Ca 0.00 0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 2dj3 h GLU 44 Cb 0.79 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2dj3 h GLU 44 CO 0.00 -0.20 -0.39 -1.00 -1.16 0.00 0.00 179.01 176.25 2dj3 h PRO 45 N -0.32 0.87 -0.80 2.33 0.13 -1.77 -2.10 132.00 130.33 2dj3 h PRO 45 Ca 0.14 -0.46 0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2dj3 h PRO 45 Cb 0.58 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 2dj3 h PRO 45 CO -0.56 1.10 0.52 0.82 -0.23 0.00 0.00 178.00 179.66 2dj3 h ILE 46 N 0.71 1.16 -0.08 -3.56 2.04 -1.55 -2.42 117.51 113.82 2dj3 h ILE 46 Ca 0.06 -0.36 -0.19 0.00 1.00 0.00 0.00 64.86 65.37 2dj3 h ILE 46 Cb 0.97 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2dj3 h ILE 46 CO 0.09 0.19 -0.76 0.22 0.00 0.00 0.00 178.15 177.90 2dj3 h TYR 47 N 1.04 0.61 0.11 1.37 3.20 -0.44 -3.03 116.97 119.83 2dj3 h TYR 47 Ca 0.31 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2dj3 h TYR 47 Cb -0.06 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2dj3 h TYR 47 CO -0.02 1.05 -0.29 1.15 -1.64 0.00 0.00 178.16 178.40 2dj3 h THR 48 N 0.30 0.00 -0.70 1.81 2.02 -0.89 -1.83 112.91 113.62 2dj3 h THR 48 Ca -0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.24 2dj3 h THR 48 Cb 1.35 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2dj3 h THR 48 CO 0.13 0.00 0.46 0.28 0.37 0.00 0.00 175.52 176.76 2dj3 h SER 49 N -0.44 0.52 -0.06 4.18 0.02 -1.61 0.10 113.55 116.26 2dj3 h SER 49 Ca -0.01 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2dj3 h SER 49 Cb 0.43 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2dj3 h SER 49 CO -0.14 0.32 0.07 0.25 -1.14 0.00 0.00 176.83 176.19 2dj3 h LEU 50 N 0.58 0.00 0.00 5.07 5.85 -1.23 -1.05 115.31 124.54 2dj3 h LEU 50 Ca 0.32 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.75 2dj3 h LEU 50 Cb 0.47 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2dj3 h LEU 50 CO -0.11 0.00 -1.72 0.61 -0.34 0.00 0.00 178.44 176.88 2dj3 n GLY 51 N -1.37 -0.65 0.34 3.75 0.00 0.23 -3.03 105.19 104.47 2dj3 n GLY 51 Ca -0.01 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.12 2dj3 n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dj3 h LYS 52 N -1.00 0.00 0.08 1.61 2.10 -1.15 0.61 116.57 118.82 2dj3 h LYS 52 Ca -0.43 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.86 2dj3 h LYS 52 Cb 1.33 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.63 2dj3 h LYS 52 CO -0.26 0.00 -1.99 0.36 -2.00 0.00 0.00 179.45 175.56 2dj3 n LYS 53 N -3.22 0.70 0.00 0.07 2.85 -0.40 -4.10 118.16 114.07 2dj3 n LYS 53 Ca -0.01 0.29 0.15 0.00 -1.05 0.00 0.00 58.31 57.70 2dj3 n LYS 53 Cb 0.30 -1.67 0.80 0.00 -0.65 0.00 0.00 35.03 33.80 2dj3 n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2dj3 n TYR 54 N -3.63 0.00 0.19 5.58 4.02 -0.59 -3.56 117.16 119.17 2dj3 n TYR 54 Ca -0.35 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.64 2dj3 n TYR 54 Cb 0.97 -0.23 0.64 0.00 -0.02 0.00 0.00 39.34 40.70 2dj3 n TYR 54 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 2dj3 h LYS 55 N 0.01 0.03 -1.14 -0.72 2.10 0.03 -1.99 116.57 114.90 2dj3 h LYS 55 Ca 0.00 -0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.05 2dj3 h LYS 55 Cb 0.23 -0.01 -0.25 0.00 -0.90 0.00 0.00 32.23 31.30 2dj3 h LYS 55 CO 0.00 0.02 0.77 0.41 -2.00 0.00 0.00 179.45 178.66 2dj3 n GLY 56 N -1.56 5.46 1.95 0.07 0.00 -1.23 -4.95 105.19 104.93 2dj3 n GLY 56 Ca -0.00 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 2dj3 n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dj3 n GLN 57 N -0.61 0.84 -3.30 1.61 1.13 -0.75 -5.08 117.38 111.22 2dj3 n GLN 57 Ca 0.55 -1.58 -0.41 0.00 -1.94 0.00 0.00 57.00 53.62 2dj3 n GLN 57 Cb 0.63 -0.08 -0.08 0.00 0.11 0.00 0.00 30.24 30.82 2dj3 n GLN 57 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2dj3 s LYS 58 N -3.29 3.73 -1.40 -1.09 -0.14 -1.26 -4.44 119.74 111.85 2dj3 s LYS 58 Ca 0.28 -0.12 -0.10 0.00 -1.36 0.00 0.00 55.97 54.68 2dj3 s LYS 58 Cb -0.02 -3.76 0.01 0.00 -1.68 0.00 0.00 37.83 32.38 2dj3 s LYS 58 CO 0.18 -0.52 0.33 -0.25 -0.76 0.00 0.00 175.35 174.33 2dj3 n ASP 59 N 5.57 -1.04 -3.72 2.83 8.00 -1.26 -4.60 116.55 122.33 2dj3 n ASP 59 Ca -0.06 -1.19 -0.13 0.00 0.71 0.00 0.00 54.79 54.12 2dj3 n ASP 59 Cb 0.49 -2.14 -0.13 0.00 -0.02 0.00 0.00 41.12 39.32 2dj3 n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2dj3 s LEU 60 N -7.22 0.39 -0.17 0.64 2.96 -1.26 -2.94 118.68 111.08 2dj3 s LEU 60 Ca 0.15 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.48 2dj3 s LEU 60 Cb -0.08 0.63 0.06 0.00 0.50 0.00 0.00 46.19 47.30 2dj3 s LEU 60 CO 0.95 -0.17 0.09 -0.69 -1.32 0.00 0.00 176.35 175.21 2dj3 s VAL 61 N 1.39 -0.06 -0.53 1.68 1.01 -1.20 -4.59 120.40 118.10 2dj3 s VAL 61 Ca -0.08 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 2dj3 s VAL 61 Cb -0.11 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2dj3 s VAL 61 CO -0.08 -0.27 1.30 -0.63 0.00 0.00 0.00 175.10 175.43 2dj3 s ILE 62 N 2.13 3.94 0.30 2.22 1.01 -1.26 -2.85 121.20 126.68 2dj3 s ILE 62 Ca 0.02 0.87 0.11 0.00 0.00 0.00 0.00 60.65 61.64 2dj3 s ILE 62 Cb -0.16 -4.52 -0.06 0.00 0.01 0.00 0.00 42.46 37.73 2dj3 s ILE 62 CO -0.09 -1.14 -0.15 0.00 0.00 0.00 0.00 174.94 173.56 2dj3 s ALA 63 N 5.37 2.77 0.35 9.38 0.00 -0.45 -2.85 121.76 136.33 2dj3 s ALA 63 Ca 0.50 -1.95 0.06 0.00 0.00 0.00 0.00 51.96 50.57 2dj3 s ALA 63 Cb -0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 2dj3 s ALA 63 CO 0.27 0.18 0.01 -1.59 0.00 0.00 0.00 175.76 174.64 2dj3 s LYS 64 N -3.56 1.77 0.00 0.00 -2.85 0.12 -2.32 119.74 112.89 2dj3 s LYS 64 Ca 0.31 -1.97 -0.25 0.00 -1.00 0.00 0.00 55.97 53.05 2dj3 s LYS 64 Cb -0.02 -1.25 0.06 0.00 -2.06 0.00 0.00 37.83 34.56 2dj3 s LYS 64 CO 0.15 -0.08 0.56 1.41 0.10 0.00 0.00 175.35 177.49 2dj3 s MET 65 N -3.78 1.00 -0.70 1.78 1.75 -0.94 0.22 119.30 118.63 2dj3 s MET 65 Ca 0.35 -0.03 -0.15 0.00 -1.25 0.00 0.00 55.69 54.61 2dj3 s MET 65 Cb 0.08 0.46 0.18 0.00 2.84 0.00 0.00 34.83 38.40 2dj3 s MET 65 CO 0.16 -0.34 0.66 -0.51 -0.65 0.00 0.00 175.02 174.34 2dj3 s ASP 66 N -1.58 6.52 0.57 1.11 1.11 -1.26 -2.10 116.67 121.03 2dj3 s ASP 66 Ca -0.09 -2.29 0.35 0.00 0.18 0.00 0.00 52.55 50.70 2dj3 s ASP 66 Cb -0.01 -2.21 1.56 0.00 1.07 0.00 0.00 42.92 43.33 2dj3 s ASP 66 CO 0.04 -0.70 2.06 0.00 1.18 0.00 0.00 175.17 177.74 2dj3 h ALA 67 N 8.27 1.02 -0.13 5.23 0.00 -1.75 0.27 119.26 132.17 2dj3 h ALA 67 Ca -0.07 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2dj3 h ALA 67 Cb 1.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2dj3 h ALA 67 CO 0.88 0.03 -0.39 1.79 0.00 0.00 0.00 179.25 181.55 2dj3 h THR 68 N 0.00 1.30 0.00 0.00 1.35 -1.90 -3.34 112.91 110.32 2dj3 h THR 68 Ca -0.00 -1.49 -0.38 0.00 -0.55 0.00 0.00 66.41 63.99 2dj3 h THR 68 Cb 0.41 1.64 -0.06 0.00 -1.73 0.00 0.00 68.15 68.42 2dj3 h THR 68 CO 0.00 0.45 -2.32 0.00 -0.25 0.00 0.00 175.52 173.40 2dj3 n ALA 69 N -2.48 1.47 -2.71 6.62 0.00 -0.99 -4.95 120.51 117.48 2dj3 n ALA 69 Ca -0.01 -0.96 -0.40 0.00 0.00 0.00 0.00 53.44 52.07 2dj3 n ALA 69 Cb 0.47 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 2dj3 n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dj3 s ASN 70 N -6.75 6.97 -0.49 0.00 0.01 0.91 -5.02 114.94 110.57 2dj3 s ASN 70 Ca -0.32 1.17 -0.25 0.00 -0.71 0.00 0.00 52.86 52.75 2dj3 s ASN 70 Cb 0.11 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.39 2dj3 s ASN 70 CO 0.46 -0.14 0.95 -1.81 -1.51 0.00 0.00 177.10 175.05 2dj3 s ASP 71 N 0.84 6.46 -0.42 -1.22 1.01 -1.26 -4.31 116.67 117.77 2dj3 s ASP 71 Ca 0.37 0.01 -0.27 0.00 0.71 0.00 0.00 52.55 53.37 2dj3 s ASP 71 Cb -0.18 -2.45 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 2dj3 s ASP 71 CO 0.17 -1.12 2.29 -0.63 0.21 0.00 0.00 175.17 176.10 2dj3 s ILE 72 N 3.88 3.05 0.43 0.77 1.01 -1.26 -4.81 121.20 124.27 2dj3 s ILE 72 Ca 0.36 0.04 0.10 0.00 0.00 0.00 0.00 60.65 61.15 2dj3 s ILE 72 Cb -0.10 -3.11 0.29 0.00 0.01 0.00 0.00 42.46 39.54 2dj3 s ILE 72 CO 0.25 -0.10 2.04 0.71 0.00 0.00 0.00 174.94 177.84 2dj3 h THR 73 N 7.45 1.03 -1.76 2.92 1.35 -1.94 -3.43 112.91 118.52 2dj3 h THR 73 Ca -0.29 -0.16 -0.16 0.00 -0.55 0.00 0.00 66.41 65.25 2dj3 h THR 73 Cb 1.25 0.52 0.09 0.00 -1.73 0.00 0.00 68.15 68.28 2dj3 h THR 73 CO 1.11 0.09 -0.08 0.59 -0.25 0.00 0.00 175.52 176.97 2dj3 n ASN 74 N -4.48 -2.82 0.00 5.36 4.13 -1.26 -4.99 115.26 111.20 2dj3 n ASN 74 Ca 0.05 -0.38 0.00 0.00 1.68 0.00 0.00 54.58 55.92 2dj3 n ASN 74 Cb 0.16 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.76 2dj3 n ASN 74 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2dj3 n ASP 75 N -1.53 3.37 0.11 6.41 -0.08 -1.26 -4.75 116.55 118.82 2dj3 n ASP 75 Ca 0.06 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.33 2dj3 n ASP 75 Cb 0.26 0.24 0.02 0.00 2.34 0.00 0.00 41.12 43.99 2dj3 n ASP 75 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2dj3 h GLN 76 N 0.00 0.00 -5.96 -0.67 7.50 -1.94 -3.41 115.11 110.64 2dj3 h GLN 76 Ca 0.00 0.00 -0.60 0.00 0.50 0.00 0.00 58.65 58.55 2dj3 h GLN 76 Cb 0.72 0.00 -0.11 0.00 0.05 0.00 0.00 27.48 28.14 2dj3 h GLN 76 CO 0.00 0.70 1.12 0.71 -1.50 0.00 0.00 178.83 179.86 2dj3 s TYR 77 N -3.01 2.54 -0.24 2.96 1.51 -1.26 -4.88 117.35 114.97 2dj3 s TYR 77 Ca 0.02 -0.60 -0.01 0.00 -1.01 0.00 0.00 57.07 55.47 2dj3 s TYR 77 Cb 0.09 -4.56 0.03 0.00 -0.11 0.00 0.00 41.96 37.41 2dj3 s TYR 77 CO 0.77 -1.89 -0.08 0.15 -1.11 0.00 0.00 175.55 173.39 2dj3 s LYS 78 N 4.80 2.76 -0.91 -0.62 1.02 -1.26 -4.90 119.74 120.64 2dj3 s LYS 78 Ca 0.37 -1.02 -0.17 0.00 0.02 0.00 0.00 55.97 55.17 2dj3 s LYS 78 Cb -0.06 -2.93 0.16 0.00 -0.52 0.00 0.00 37.83 34.48 2dj3 s LYS 78 CO 0.02 -0.41 1.03 0.08 -0.92 0.00 0.00 175.35 175.15 2dj3 s VAL 79 N 1.29 5.01 0.07 3.17 1.01 -1.26 -4.83 120.40 124.86 2dj3 s VAL 79 Ca -0.01 -1.89 0.19 0.00 0.00 0.00 0.00 61.98 60.27 2dj3 s VAL 79 Cb -0.17 -4.69 0.13 0.00 0.00 0.00 0.00 36.38 31.66 2dj3 s VAL 79 CO -0.05 -1.37 1.67 -0.33 0.00 0.00 0.00 175.10 175.02 2dj3 h GLU 80 N 8.45 0.00 0.00 2.72 4.39 -1.97 -3.48 114.58 124.69 2dj3 h GLU 80 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2dj3 h GLU 80 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2dj3 h GLU 80 CO 1.00 0.38 0.00 0.41 -1.16 0.00 0.00 179.01 179.65 2dj3 n GLY 81 N 0.51 3.29 3.39 -3.84 0.00 -1.26 -5.19 105.19 102.09 2dj3 n GLY 81 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 2dj3 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dj3 s PHE 82 N -2.83 -0.46 1.15 1.61 0.40 -1.26 -4.41 117.98 112.17 2dj3 s PHE 82 Ca 0.00 0.89 -0.17 0.00 -0.60 0.00 0.00 56.93 57.05 2dj3 s PHE 82 Cb 0.00 0.23 0.26 0.00 0.51 0.00 0.00 43.02 44.02 2dj3 s PHE 82 CO 0.00 -0.43 1.10 -1.25 0.70 0.00 0.00 175.22 175.34 2dj3 s PRO 83 N -0.82 -0.77 -0.29 0.24 0.04 -1.26 -4.87 135.00 127.27 2dj3 s PRO 83 Ca -0.09 0.10 0.02 0.00 0.04 0.00 0.00 61.00 61.07 2dj3 s PRO 83 Cb -0.03 -1.63 0.18 0.00 0.04 0.00 0.00 34.50 33.06 2dj3 s PRO 83 CO 0.05 -3.45 0.53 0.99 0.04 0.00 0.00 177.00 175.16 2dj3 s THR 84 N -2.99 -0.87 0.04 1.26 2.01 -0.99 -5.02 115.64 109.08 2dj3 s THR 84 Ca 0.69 -0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.55 2dj3 s THR 84 Cb -0.12 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 2dj3 s THR 84 CO 0.57 -0.07 0.31 -0.63 -0.69 0.00 0.00 174.62 174.11 2dj3 s ILE 85 N 2.74 5.23 -0.03 1.82 1.01 -1.26 0.53 121.20 131.24 2dj3 s ILE 85 Ca 0.14 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.98 2dj3 s ILE 85 Cb -0.13 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2dj3 s ILE 85 CO -0.23 0.33 0.13 -0.31 0.00 0.00 0.00 174.94 174.85 2dj3 s TYR 86 N -1.35 -0.06 -0.23 3.97 2.02 0.21 -3.19 117.35 118.72 2dj3 s TYR 86 Ca 0.30 0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 57.13 2dj3 s TYR 86 Cb -0.13 0.00 0.01 0.00 -0.40 0.00 0.00 41.96 41.44 2dj3 s TYR 86 CO 0.17 -0.15 -0.07 0.12 -1.57 0.00 0.00 175.55 174.05 2dj3 s PHE 87 N -0.52 2.99 -0.66 2.71 2.19 -0.87 -0.35 117.98 123.47 2dj3 s PHE 87 Ca -0.06 -1.33 -0.11 0.00 0.33 0.00 0.00 56.93 55.76 2dj3 s PHE 87 Cb -0.04 -2.06 0.17 0.00 -1.31 0.00 0.00 43.02 39.78 2dj3 s PHE 87 CO 0.01 -0.67 0.57 0.00 1.83 0.00 0.00 175.22 176.95 2dj3 s ALA 88 N 1.38 3.76 -0.13 11.12 0.00 -1.05 -2.70 121.76 134.14 2dj3 s ALA 88 Ca 0.03 -3.01 -0.29 0.00 0.00 0.00 0.00 51.96 48.68 2dj3 s ALA 88 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2dj3 s ALA 88 CO -0.05 -2.12 1.55 -1.25 0.00 0.00 0.00 175.76 173.89 2dj3 s PRO 89 N 0.61 4.07 -0.37 0.00 0.04 -1.26 -2.50 135.00 135.58 2dj3 s PRO 89 Ca 0.13 1.90 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 2dj3 s PRO 89 Cb -0.19 -3.95 -0.09 0.00 0.04 0.00 0.00 34.50 30.31 2dj3 s PRO 89 CO -0.04 -0.96 2.27 0.45 0.04 0.00 0.00 177.00 178.77 2dj3 n SER 90 N 7.42 2.41 0.00 6.66 2.88 -1.26 -0.78 113.62 130.96 2dj3 n SER 90 Ca 0.17 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2dj3 n SER 90 Cb 0.44 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2dj3 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 91 N 6.21 1.67 0.69 0.46 0.00 -1.26 -4.86 105.19 108.11 2dj3 n GLY 91 Ca 0.38 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.94 2dj3 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dj3 n ASP 92 N 0.02 1.41 -0.13 1.61 9.92 -0.01 -4.81 116.55 124.56 2dj3 n ASP 92 Ca 0.00 -2.95 0.15 0.00 -0.53 0.00 0.00 54.79 51.46 2dj3 n ASP 92 Cb 0.00 -0.40 0.52 0.00 -0.64 0.00 0.00 41.12 40.60 2dj3 n ASP 92 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2dj3 h LYS 93 N 0.62 0.37 -1.16 -1.24 1.57 -1.28 -2.31 116.57 113.15 2dj3 h LYS 93 Ca -0.06 -0.02 0.37 0.00 -1.87 0.00 0.00 60.65 59.07 2dj3 h LYS 93 Cb 1.29 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.43 2dj3 h LYS 93 CO 0.02 0.24 0.79 1.63 -0.57 0.00 0.00 179.45 181.57 2dj3 n LYS 94 N -4.47 -0.01 -3.86 3.15 4.76 -1.26 -2.65 118.16 113.82 2dj3 n LYS 94 Ca 0.13 0.83 -0.34 0.00 -2.87 0.00 0.00 58.31 56.05 2dj3 n LYS 94 Cb 0.49 -1.74 -0.13 0.00 -1.84 0.00 0.00 35.03 31.81 2dj3 n LYS 94 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2dj3 s ASN 95 N -4.16 4.99 0.21 4.39 0.01 -0.87 -4.84 114.94 114.67 2dj3 s ASN 95 Ca -0.04 -2.33 -0.30 0.00 -0.71 0.00 0.00 52.86 49.48 2dj3 s ASN 95 Cb 0.20 -1.75 -0.09 0.00 0.41 0.00 0.00 41.25 40.03 2dj3 s ASN 95 CO 0.60 -0.43 1.29 -2.16 -1.51 0.00 0.00 177.10 174.89 2dj3 s PRO 96 N 0.69 4.40 -0.49 -0.60 0.04 -1.08 -4.85 135.00 133.12 2dj3 s PRO 96 Ca 0.12 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 2dj3 s PRO 96 Cb -0.22 -3.19 0.09 0.00 0.04 0.00 0.00 34.50 31.23 2dj3 s PRO 96 CO -0.05 -0.21 0.43 0.42 0.04 0.00 0.00 177.00 177.63 2dj3 s ILE 97 N -0.08 5.22 -0.01 0.56 1.01 -1.10 -4.92 121.20 121.89 2dj3 s ILE 97 Ca 0.55 -1.17 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 2dj3 s ILE 97 Cb -0.36 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 2dj3 s ILE 97 CO 0.40 -0.66 0.94 -0.75 0.00 0.00 0.00 174.94 174.87 2dj3 s LYS 98 N 1.64 4.54 -0.44 2.79 2.20 -1.26 -2.05 119.74 127.16 2dj3 s LYS 98 Ca 0.04 1.35 -0.28 0.00 -0.36 0.00 0.00 55.97 56.71 2dj3 s LYS 98 Cb -0.26 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 2dj3 s LYS 98 CO 0.06 -0.04 1.46 0.12 -0.36 0.00 0.00 175.35 176.58 2dj3 s PHE 99 N 1.01 2.31 -0.50 4.03 5.36 -1.19 -4.94 117.98 124.05 2dj3 s PHE 99 Ca 0.50 0.63 0.03 0.00 -0.96 0.00 0.00 56.93 57.14 2dj3 s PHE 99 Cb -0.20 -4.31 0.15 0.00 -0.34 0.00 0.00 43.02 38.32 2dj3 s PHE 99 CO 0.26 -2.07 0.32 -1.21 -1.46 0.00 0.00 175.22 171.07 2dj3 s GLU 100 N 5.17 1.50 -0.12 10.12 0.41 -1.26 -4.84 118.70 129.68 2dj3 s GLU 100 Ca 0.61 -2.36 0.14 0.00 -0.41 0.00 0.00 54.97 52.96 2dj3 s GLU 100 Cb -0.14 -2.42 0.29 0.00 -1.78 0.00 0.00 34.13 30.08 2dj3 s GLU 100 CO 0.31 -1.24 1.15 0.41 -0.49 0.00 0.00 175.26 175.40 2dj3 n GLY 101 N 3.02 3.91 5.00 -1.39 0.00 -1.26 -5.01 105.19 109.46 2dj3 n GLY 101 Ca 0.16 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2dj3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dj3 n GLY 102 N -0.95 1.29 3.38 -0.02 0.00 -1.26 -4.83 105.19 102.79 2dj3 n GLY 102 Ca 0.13 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2dj3 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dj3 s ASN 103 N 0.00 3.42 -0.20 1.61 -0.87 -1.26 -5.12 114.94 112.52 2dj3 s ASN 103 Ca 0.00 -0.41 0.01 0.00 -1.57 0.00 0.00 52.86 50.90 2dj3 s ASN 103 Cb 0.00 -0.50 0.04 0.00 -0.02 0.00 0.00 41.25 40.77 2dj3 s ASN 103 CO 0.00 0.31 -0.12 0.00 -2.57 0.00 0.00 177.10 174.72 2dj3 s ARG 104 N -0.82 2.27 0.30 -0.60 1.70 -1.26 -4.77 118.95 115.76 2dj3 s ARG 104 Ca 0.11 -0.92 -0.07 0.00 -0.47 0.00 0.00 55.73 54.38 2dj3 s ARG 104 Cb -0.10 -2.51 0.03 0.00 -0.57 0.00 0.00 34.95 31.79 2dj3 s ARG 104 CO 0.01 -0.40 0.52 -3.47 -1.08 0.00 0.00 175.30 170.87 2dj3 n ASP 105 N 4.63 -1.49 0.17 -2.89 2.03 -1.26 -4.94 116.55 112.80 2dj3 n ASP 105 Ca -0.16 -2.35 0.12 0.00 0.52 0.00 0.00 54.79 52.92 2dj3 n ASP 105 Cb 0.47 2.58 0.61 0.00 -0.72 0.00 0.00 41.12 44.05 2dj3 n ASP 105 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2dj3 h LEU 106 N 0.00 0.00 0.00 -2.67 5.85 -1.99 0.40 115.31 116.90 2dj3 h LEU 106 Ca -0.24 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.22 2dj3 h LEU 106 Cb 0.95 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 2dj3 h LEU 106 CO 0.31 0.00 -1.48 -0.62 -0.34 0.00 0.00 178.44 176.32 2dj3 n GLU 107 N -2.32 0.56 -0.06 1.25 1.02 -1.26 -3.86 120.64 115.97 2dj3 n GLU 107 Ca -0.01 0.49 -0.13 0.00 -0.02 0.00 0.00 57.16 57.49 2dj3 n GLU 107 Cb 0.09 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 29.77 2dj3 n GLU 107 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dj3 h HIS 108 N -1.00 0.48 -0.08 -0.32 3.86 -1.81 -3.00 115.15 113.28 2dj3 h HIS 108 Ca -0.39 -0.15 0.04 0.00 -1.16 0.00 0.00 60.37 58.71 2dj3 h HIS 108 Cb 1.29 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 29.60 2dj3 h HIS 108 CO 0.00 0.81 -0.35 -0.07 0.86 0.00 0.00 177.93 179.18 2dj3 h LEU 109 N 0.02 -1.07 -0.93 2.43 3.38 -0.43 -1.10 115.31 117.61 2dj3 h LEU 109 Ca 0.02 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.29 2dj3 h LEU 109 Cb 0.74 0.44 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 2dj3 h LEU 109 CO 0.05 -0.39 0.53 0.77 0.09 0.00 0.00 178.44 179.48 2dj3 h SER 110 N -0.46 0.69 0.54 -0.43 4.64 -1.67 0.62 113.55 117.49 2dj3 h SER 110 Ca 0.08 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2dj3 h SER 110 Cb 0.58 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2dj3 h SER 110 CO -0.33 0.29 0.00 0.11 -0.87 0.00 0.00 176.83 176.03 2dj3 h LYS 111 N 0.74 0.00 0.00 4.77 1.57 -1.09 -1.14 116.57 121.42 2dj3 h LYS 111 Ca 0.51 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.98 2dj3 h LYS 111 Cb 0.70 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 2dj3 h LYS 111 CO -0.35 0.00 -2.06 0.34 -0.57 0.00 0.00 179.45 176.81 2dj3 n PHE 112 N -2.60 0.41 -0.02 -1.35 7.35 0.19 -4.15 117.46 117.29 2dj3 n PHE 112 Ca 0.00 0.14 -0.00 0.00 -0.76 0.00 0.00 57.45 56.84 2dj3 n PHE 112 Cb 0.18 -1.03 -0.00 0.00 0.35 0.00 0.00 39.48 38.98 2dj3 n PHE 112 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2dj3 h ILE 113 N 0.00 0.00 -0.96 -2.13 2.04 -0.35 -3.22 117.51 112.90 2dj3 h ILE 113 Ca -0.40 -0.46 0.32 0.00 1.00 0.00 0.00 64.86 65.32 2dj3 h ILE 113 Cb 2.03 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.94 2dj3 h ILE 113 CO 0.04 0.00 0.22 0.47 0.00 0.00 0.00 178.15 178.88 2dj3 n ASP 114 N -3.29 0.07 0.22 1.72 8.00 -0.48 0.13 116.55 122.92 2dj3 n ASP 114 Ca -0.00 1.61 -0.11 0.00 0.71 0.00 0.00 54.79 57.00 2dj3 n ASP 114 Cb 0.00 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.38 2dj3 n ASP 114 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2dj3 h GLU 115 N 0.00 -0.63 0.00 -1.24 5.08 -1.72 -2.10 114.58 113.97 2dj3 h GLU 115 Ca 0.67 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 2dj3 h GLU 115 Cb 1.58 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2dj3 h GLU 115 CO -0.84 -0.42 0.00 0.72 -1.00 0.00 0.00 179.01 177.48 2dj3 n HIS 116 N -4.09 0.00 -0.73 4.33 8.25 -0.00 -4.72 115.22 118.26 2dj3 n HIS 116 Ca -0.08 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.21 2dj3 n HIS 116 Cb 0.28 -0.37 0.14 0.00 1.12 0.00 0.00 29.99 31.16 2dj3 n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dj3 n ALA 117 N -1.37 -2.06 -2.39 -1.41 0.00 0.35 -4.89 120.51 108.74 2dj3 n ALA 117 Ca 0.06 -0.91 -0.43 0.00 0.00 0.00 0.00 53.44 52.16 2dj3 n ALA 117 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2dj3 n ALA 117 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dj3 n THR 118 N -3.93 4.20 -3.24 0.00 5.66 -1.26 -4.51 114.28 111.20 2dj3 n THR 118 Ca 0.08 -4.28 -0.15 0.00 -3.05 0.00 0.00 64.05 56.66 2dj3 n THR 118 Cb 0.33 -2.41 0.08 0.00 -1.55 0.00 0.00 70.33 66.78 2dj3 n THR 118 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dj3 n LYS 119 N 4.69 -4.42 -1.41 1.09 4.76 -1.26 -4.93 118.16 116.69 2dj3 n LYS 119 Ca 0.41 0.80 -0.26 0.00 -2.87 0.00 0.00 58.31 56.39 2dj3 n LYS 119 Cb 0.38 -5.59 0.10 0.00 -1.84 0.00 0.00 35.03 28.08 2dj3 n LYS 119 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2dj3 n ARG 120 N -3.56 2.73 -3.53 1.97 5.12 -1.22 -4.98 116.66 113.18 2dj3 n ARG 120 Ca -0.18 -3.45 -0.02 0.00 -1.93 0.00 0.00 57.85 52.27 2dj3 n ARG 120 Cb 0.64 -2.20 0.02 0.00 -1.16 0.00 0.00 32.46 29.75 2dj3 n ARG 120 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2dj3 n SER 121 N -0.93 -1.40 -4.73 0.55 3.41 -1.26 -4.70 113.62 104.56 2dj3 n SER 121 Ca 0.54 -1.68 -0.37 0.00 -0.26 0.00 0.00 58.87 57.09 2dj3 n SER 121 Cb 0.93 2.26 0.07 0.00 -0.26 0.00 0.00 64.21 67.21 2dj3 n SER 121 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dj3 n ARG 122 N -0.64 1.11 -3.57 4.33 5.12 -1.26 -4.99 116.66 116.76 2dj3 n ARG 122 Ca -0.01 0.44 -0.38 0.00 -1.93 0.00 0.00 57.85 55.97 2dj3 n ARG 122 Cb 0.49 -2.53 -0.06 0.00 -1.16 0.00 0.00 32.46 29.21 2dj3 n ARG 122 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2dj3 s THR 123 N -1.38 5.12 0.31 0.55 2.01 -1.26 -5.08 115.64 115.90 2dj3 s THR 123 Ca 0.83 0.73 -0.10 0.00 0.31 0.00 0.00 61.69 63.45 2dj3 s THR 123 Cb -0.38 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.48 2dj3 s THR 123 CO 0.40 0.58 0.56 -0.54 -0.69 0.00 0.00 174.62 174.93 2dj3 s LYS 124 N -1.03 1.83 0.52 4.92 1.02 -1.26 -5.03 119.74 120.72 2dj3 s LYS 124 Ca 0.22 -1.45 0.29 0.00 0.02 0.00 0.00 55.97 55.06 2dj3 s LYS 124 Cb -0.16 0.50 1.42 0.00 -0.52 0.00 0.00 37.83 39.08 2dj3 s LYS 124 CO 0.12 -0.79 2.04 1.49 -0.92 0.00 0.00 175.35 177.28 2dj3 h GLU 125 N 2.14 0.00 -6.52 1.68 4.81 -2.07 -3.46 114.58 111.16 2dj3 h GLU 125 Ca -0.28 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.46 2dj3 h GLU 125 Cb 1.25 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.40 2dj3 h GLU 125 CO 0.37 0.11 -0.75 -0.85 -0.73 0.00 0.00 179.01 177.16 2dj3 n GLU 126 N -3.45 -0.88 -3.89 1.92 0.28 -1.26 -4.88 120.64 108.48 2dj3 n GLU 126 Ca -0.01 0.09 -0.11 0.00 -0.16 0.00 0.00 57.16 56.97 2dj3 n GLU 126 Cb 0.27 -3.20 -0.11 0.00 1.43 0.00 0.00 31.44 29.83 2dj3 n GLU 126 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2dj3 s LEU 127 N -6.25 1.73 -0.23 -1.84 2.96 -1.26 -5.16 118.68 108.62 2dj3 s LEU 127 Ca 0.27 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.69 2dj3 s LEU 127 Cb -0.16 0.48 0.16 0.00 0.50 0.00 0.00 46.19 47.17 2dj3 s LEU 127 CO 0.80 -0.29 1.19 -0.55 -1.32 0.00 0.00 176.35 176.18 2dj3 s SER 128 N -1.14 -0.20 0.00 3.68 0.15 -1.26 -5.16 113.70 109.78 2dj3 s SER 128 Ca -0.12 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2dj3 s SER 128 Cb -0.07 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2dj3 s SER 128 CO 0.01 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2dj3 n GLY 129 N 0.75 -1.89 3.56 9.45 0.00 -1.26 -4.61 105.19 111.19 2dj3 n GLY 129 Ca -0.06 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 2dj3 n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj3 s PRO 130 N 0.00 2.55 -0.01 1.61 0.04 -1.26 -4.78 135.00 133.15 2dj3 s PRO 130 Ca 0.00 -0.30 -0.21 0.00 0.04 0.00 0.00 61.00 60.53 2dj3 s PRO 130 Cb 0.00 -5.06 -0.23 0.00 0.04 0.00 0.00 34.50 29.24 2dj3 s PRO 130 CO 0.00 -3.39 1.08 0.77 0.04 0.00 0.00 177.00 175.50 2dj3 h SER 131 N 11.27 0.43 -5.73 6.66 0.02 -2.03 -3.49 113.55 120.68 2dj3 h SER 131 Ca 0.10 -0.76 0.30 0.00 -0.84 0.00 0.00 61.79 60.59 2dj3 h SER 131 Cb 1.00 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.33 2dj3 h SER 131 CO 1.21 1.14 0.81 -0.55 -1.14 0.00 0.00 176.83 178.30 2dj3 s SER 132 N -6.60 -0.02 0.00 3.07 0.15 -1.26 -5.23 113.70 103.80 2dj3 s SER 132 Ca -0.14 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dj3 s SER 132 Cb 0.03 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2dj3 s SER 132 CO 0.80 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.42