#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj3 n SER 2 N 0.00 0.31 -3.63 1.61 7.64 -1.26 -5.04 113.62 113.25 2dj3 n SER 2 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2dj3 n SER 2 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2dj3 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dj3 n SER 3 N -2.89 -5.93 0.05 6.43 2.88 -1.26 -4.89 113.62 108.01 2dj3 n SER 3 Ca 0.00 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 2dj3 n SER 3 Cb 0.44 -4.90 0.00 0.00 -0.75 0.00 0.00 64.21 58.99 2dj3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 4 N -1.93 -0.07 3.48 0.46 0.00 -1.26 -5.06 105.19 100.81 2dj3 n GLY 4 Ca -0.01 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.49 2dj3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj3 n SER 5 N -3.28 -0.14 -4.72 1.61 7.64 -1.26 -4.88 113.62 108.59 2dj3 n SER 5 Ca 0.00 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 60.62 2dj3 n SER 5 Cb 0.13 -1.00 -0.04 0.00 -1.01 0.00 0.00 64.21 62.29 2dj3 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dj3 s SER 6 N -0.38 7.21 -0.01 6.43 0.15 -1.26 -4.66 113.70 121.18 2dj3 s SER 6 Ca 0.77 1.46 -0.00 0.00 0.70 0.00 0.00 55.95 58.87 2dj3 s SER 6 Cb -1.04 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 60.77 2dj3 s SER 6 CO 0.56 -0.16 0.01 0.61 1.20 0.00 0.00 173.24 175.46 2dj3 n GLY 7 N 2.88 -3.02 0.17 9.45 0.00 -1.26 -4.98 105.19 108.42 2dj3 n GLY 7 Ca 0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.16 0.50 -6.32 1.61 0.13 -1.89 -3.42 132.00 122.77 2dj3 h PRO 8 Ca -0.02 -0.26 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 2dj3 h PRO 8 Cb 0.05 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.15 2dj3 h PRO 8 CO 0.00 0.84 1.07 0.08 -0.23 0.00 0.00 178.00 179.76 2dj3 s VAL 9 N -4.33 3.86 0.34 1.56 1.01 -1.26 -4.73 120.40 116.85 2dj3 s VAL 9 Ca -0.13 0.96 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 2dj3 s VAL 9 Cb 0.07 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 2dj3 s VAL 9 CO 0.78 -0.38 1.11 -0.75 0.00 0.00 0.00 175.10 175.87 2dj3 s LYS 10 N 4.52 4.39 -0.14 2.72 2.20 -1.17 -4.80 119.74 127.46 2dj3 s LYS 10 Ca 0.66 1.76 -0.07 0.00 -0.36 0.00 0.00 55.97 57.95 2dj3 s LYS 10 Cb -0.21 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 2dj3 s LYS 10 CO 0.27 -0.01 0.13 0.14 -0.36 0.00 0.00 175.35 175.52 2dj3 s VAL 11 N -1.34 5.40 -0.00 4.02 -7.23 -1.26 0.37 120.40 120.36 2dj3 s VAL 11 Ca 0.51 0.17 0.08 0.00 -1.81 0.00 0.00 61.98 60.93 2dj3 s VAL 11 Cb -0.30 -3.38 -0.02 0.00 0.56 0.00 0.00 36.38 33.25 2dj3 s VAL 11 CO 0.38 0.58 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.81 2dj3 s VAL 12 N -0.68 1.93 0.54 1.32 1.01 0.97 -4.89 120.40 120.60 2dj3 s VAL 12 Ca 0.13 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.04 2dj3 s VAL 12 Cb -0.12 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.68 2dj3 s VAL 12 CO 0.02 0.48 0.30 1.33 0.00 0.00 0.00 175.10 177.24 2dj3 n VAL 13 N 2.31 0.00 0.38 2.92 0.24 -1.26 -4.43 118.33 118.49 2dj3 n VAL 13 Ca -0.16 -2.26 0.10 0.00 -2.04 0.00 0.00 64.34 59.98 2dj3 n VAL 13 Cb 0.52 0.12 0.42 0.00 -1.47 0.00 0.00 33.84 33.42 2dj3 n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dj3 n GLY 14 N -1.52 -1.11 0.02 7.63 0.00 -1.26 0.08 105.19 109.03 2dj3 n GLY 14 Ca -0.07 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2dj3 n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dj3 n LYS 15 N -1.98 0.28 -0.09 1.61 -0.00 -1.26 -4.24 118.16 112.47 2dj3 n LYS 15 Ca 0.02 -0.04 0.03 0.00 -0.00 0.00 0.00 58.31 58.32 2dj3 n LYS 15 Cb 0.18 -1.55 0.04 0.00 -0.00 0.00 0.00 35.03 33.70 2dj3 n LYS 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2dj3 n THR 16 N -1.89 0.92 0.09 0.58 -2.24 -0.77 -4.79 114.28 106.18 2dj3 n THR 16 Ca 0.01 -1.03 -0.05 0.00 -2.27 0.00 0.00 64.05 60.71 2dj3 n THR 16 Cb 0.43 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.00 -0.29 0.00 4.78 3.04 -0.53 -0.74 116.94 123.20 2dj3 h PHE 17 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2dj3 h PHE 17 Cb 0.86 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.47 2dj3 h PHE 17 CO 0.01 -0.18 0.00 -0.25 -2.02 0.00 0.00 178.31 175.87 2dj3 n ASP 18 N -4.76 0.00 -0.11 0.41 9.92 -1.26 -0.78 116.55 119.97 2dj3 n ASP 18 Ca -0.04 0.33 -0.23 0.00 -0.53 0.00 0.00 54.79 54.32 2dj3 n ASP 18 Cb 0.12 -0.37 -0.12 0.00 -0.64 0.00 0.00 41.12 40.12 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 -1.37 1.18 -0.00 2.24 0.00 -1.22 -4.23 120.51 117.10 2dj3 n ALA 19 Ca 0.02 -0.94 -0.00 0.00 0.00 0.00 0.00 53.44 52.51 2dj3 n ALA 19 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -3.81 0.07 0.09 0.00 5.41 -0.29 -3.47 119.36 117.37 2dj3 n ILE 20 Ca -0.45 0.48 0.20 0.00 1.00 0.00 0.00 62.75 63.98 2dj3 n ILE 20 Cb 0.92 -1.54 0.67 0.00 -0.71 0.00 0.00 39.64 38.98 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 -0.05 0.22 -0.56 1.39 2.07 -1.11 0.48 116.25 118.69 2dj3 h VAL 21 Ca 0.00 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.14 2dj3 h VAL 21 Cb 0.04 0.51 -0.25 0.00 -1.52 0.00 0.00 31.29 30.06 2dj3 h VAL 21 CO 0.00 0.00 -0.30 0.23 0.02 0.00 0.00 177.57 177.52 2dj3 n MET 22 N -3.42 2.65 -2.90 1.57 2.81 -0.70 -4.67 117.12 112.46 2dj3 n MET 22 Ca 0.08 -3.62 -0.43 0.00 -1.81 0.00 0.00 57.70 51.92 2dj3 n MET 22 Cb 0.75 -2.05 -0.05 0.00 -0.71 0.00 0.00 33.22 31.17 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 -2.96 6.42 0.00 7.83 2.15 0.17 -4.71 116.67 125.57 2dj3 s ASP 23 Ca 0.49 -0.10 0.11 0.00 0.43 0.00 0.00 52.55 53.48 2dj3 s ASP 23 Cb 0.42 -2.41 0.64 0.00 -0.30 0.00 0.00 42.92 41.27 2dj3 s ASP 23 CO 0.00 -1.01 1.08 -0.81 -0.17 0.00 0.00 175.17 174.26 2dj3 n PRO 24 N 6.97 0.49 0.10 4.34 -0.04 -1.26 -2.31 135.00 143.29 2dj3 n PRO 24 Ca 0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 2dj3 n PRO 24 Cb 0.48 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 2dj3 n PRO 24 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2dj3 h LYS 25 N 0.00 0.00 -1.70 0.54 1.57 -1.92 -3.40 116.57 111.67 2dj3 h LYS 25 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2dj3 h LYS 25 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.09 2dj3 h LYS 25 CO 0.00 0.20 0.43 -1.59 -0.57 0.00 0.00 179.45 177.92 2dj3 s LYS 26 N -3.10 0.72 -0.08 3.15 -2.85 -0.98 -4.94 119.74 111.67 2dj3 s LYS 26 Ca 0.00 0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.92 2dj3 s LYS 26 Cb 0.08 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 2dj3 s LYS 26 CO 0.78 -0.21 1.47 -0.51 0.10 0.00 0.00 175.35 176.98 2dj3 s ASP 27 N -0.97 6.80 -0.19 0.03 1.11 -1.09 -4.29 116.67 118.07 2dj3 s ASP 27 Ca -0.04 2.04 -0.03 0.00 0.18 0.00 0.00 52.55 54.70 2dj3 s ASP 27 Cb -0.01 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.43 2dj3 s ASP 27 CO 0.03 -0.83 -0.05 -0.69 1.18 0.00 0.00 175.17 174.82 2dj3 s VAL 28 N 3.47 3.46 -0.57 -1.27 1.01 -0.72 -3.26 120.40 122.51 2dj3 s VAL 28 Ca 0.65 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 2dj3 s VAL 28 Cb -0.29 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.61 2dj3 s VAL 28 CO 0.24 0.45 0.79 -0.22 0.00 0.00 0.00 175.10 176.36 2dj3 s LEU 29 N 1.08 4.75 -0.02 3.92 2.96 -1.17 -2.03 118.68 128.18 2dj3 s LEU 29 Ca 0.01 -0.94 -0.18 0.00 -0.22 0.00 0.00 54.13 52.81 2dj3 s LEU 29 Cb -0.15 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 2dj3 s LEU 29 CO -0.00 -1.14 0.49 -0.51 -1.32 0.00 0.00 176.35 173.87 2dj3 s ILE 30 N 3.26 4.99 -0.26 6.68 1.10 0.26 -1.55 121.20 135.67 2dj3 s ILE 30 Ca 0.19 1.02 0.01 0.00 -0.51 0.00 0.00 60.65 61.36 2dj3 s ILE 30 Cb -0.18 -3.82 0.07 0.00 0.15 0.00 0.00 42.46 38.68 2dj3 s ILE 30 CO 0.12 0.48 -0.01 -0.70 -2.11 0.00 0.00 174.94 172.71 2dj3 s GLU 31 N -0.49 1.46 -0.50 3.50 -6.30 -1.06 0.56 118.70 115.86 2dj3 s GLU 31 Ca 0.27 -1.16 -0.28 0.00 -2.50 0.00 0.00 54.97 51.30 2dj3 s GLU 31 Cb -0.17 -2.60 0.01 0.00 0.00 0.00 0.00 34.13 31.37 2dj3 s GLU 31 CO 0.14 -0.72 1.42 -0.06 0.02 0.00 0.00 175.26 176.07 2dj3 s PHE 32 N 1.34 2.32 0.15 5.30 0.08 0.26 -2.17 117.98 125.26 2dj3 s PHE 32 Ca -0.01 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.66 2dj3 s PHE 32 Cb -0.19 -4.36 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 2dj3 s PHE 32 CO -0.09 -1.98 0.10 1.52 -0.10 0.00 0.00 175.22 174.67 2dj3 s TYR 33 N 5.88 3.10 -0.18 0.36 -0.85 -0.44 -2.32 117.35 122.90 2dj3 s TYR 33 Ca 0.56 -0.03 -0.01 0.00 -0.52 0.00 0.00 57.07 57.07 2dj3 s TYR 33 Cb -0.12 -1.50 -0.00 0.00 0.38 0.00 0.00 41.96 40.72 2dj3 s TYR 33 CO 0.28 0.52 -0.12 0.00 -1.52 0.00 0.00 175.55 174.71 2dj3 s ALA 34 N -1.68 2.60 -2.00 9.51 0.00 -1.26 -4.07 121.76 124.85 2dj3 s ALA 34 Ca 0.30 -1.09 0.14 0.00 0.00 0.00 0.00 51.96 51.31 2dj3 s ALA 34 Cb -0.10 -1.38 0.81 0.00 0.00 0.00 0.00 23.12 22.44 2dj3 s ALA 34 CO 0.22 -0.17 1.23 -0.35 0.00 0.00 0.00 175.76 176.69 2dj3 n PRO 35 N 4.31 0.49 -0.05 0.00 -0.04 -1.26 -1.87 135.00 136.58 2dj3 n PRO 35 Ca -0.19 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.29 2dj3 n PRO 35 Cb 0.51 -1.43 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.93 0.00 -4.32 0.54 4.27 -1.26 -5.04 117.44 110.70 2dj3 n TRP 36 Ca 0.10 -0.48 -0.29 0.00 -3.89 0.00 0.00 57.50 52.94 2dj3 n TRP 36 Cb 0.05 -0.06 -0.11 0.00 -1.36 0.00 0.00 31.31 29.82 2dj3 n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dj3 n GLY 38 N 0.74 -0.63 0.35 0.00 0.00 -1.26 -3.69 105.19 100.70 2dj3 n GLY 38 Ca -0.15 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 45.93 2dj3 n GLY 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2dj3 h HIS 39 N -0.78 0.00 0.00 1.61 3.86 -1.97 1.28 115.15 119.15 2dj3 h HIS 39 Ca -0.50 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.48 2dj3 h HIS 39 Cb 1.55 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.98 2dj3 h HIS 39 CO 0.03 0.00 -1.84 0.00 0.86 0.00 0.00 177.93 176.97 2dj3 h LYS 41 N 0.00 0.26 0.00 0.00 2.10 0.15 -2.43 116.57 116.65 2dj3 h LYS 41 Ca -0.28 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.24 2dj3 h LYS 41 Cb 1.79 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.11 2dj3 h LYS 41 CO 0.04 0.60 -0.07 -0.56 -2.00 0.00 0.00 179.45 177.45 2dj3 h GLN 42 N 0.22 0.00 0.00 0.07 3.07 -1.57 -2.57 115.11 114.34 2dj3 h GLN 42 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 2dj3 h GLN 42 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 2dj3 h GLN 42 CO 0.06 0.07 -0.68 -0.11 0.09 0.00 0.00 178.83 178.26 2dj3 n LEU 43 N -3.19 0.62 -0.27 0.06 7.94 -0.94 -4.30 117.00 116.91 2dj3 n LEU 43 Ca 0.01 0.10 -0.07 0.00 -1.11 0.00 0.00 56.01 54.94 2dj3 n LEU 43 Cb 0.36 -0.18 -0.02 0.00 0.53 0.00 0.00 43.42 44.11 2dj3 n LEU 43 CO 0.30 0.02 0.57 -0.33 -1.11 0.00 0.00 177.39 176.84 2dj3 h GLU 44 N 0.00 -0.14 -0.08 1.96 5.08 -1.14 0.32 114.58 120.58 2dj3 h GLU 44 Ca 0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2dj3 h GLU 44 Cb 0.66 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2dj3 h GLU 44 CO 0.00 -0.09 -0.08 -1.00 -1.00 0.00 0.00 179.01 176.83 2dj3 h PRO 45 N -0.14 0.21 -0.56 2.33 0.13 -1.78 -2.69 132.00 129.49 2dj3 h PRO 45 Ca 0.22 -0.11 0.11 0.00 -0.87 0.00 0.00 66.00 65.35 2dj3 h PRO 45 Cb 0.55 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.60 2dj3 h PRO 45 CO -0.79 0.63 0.04 0.82 -0.23 0.00 0.00 178.00 178.48 2dj3 h ILE 46 N -0.21 0.58 -0.48 -3.56 2.04 -1.57 -0.16 117.51 114.15 2dj3 h ILE 46 Ca 0.01 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2dj3 h ILE 46 Cb 0.60 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2dj3 h ILE 46 CO 0.02 0.03 0.05 0.22 0.00 0.00 0.00 178.15 178.47 2dj3 h TYR 47 N 0.15 0.80 0.05 1.37 3.20 -0.43 -2.25 116.97 119.87 2dj3 h TYR 47 Ca 0.29 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 62.09 2dj3 h TYR 47 Cb 0.44 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 2dj3 h TYR 47 CO -0.31 0.72 -0.45 1.15 -1.64 0.00 0.00 178.16 177.63 2dj3 h THR 48 N 0.72 0.11 -0.68 1.81 2.02 -0.68 -0.71 112.91 115.51 2dj3 h THR 48 Ca 0.15 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.27 2dj3 h THR 48 Cb 0.38 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 2dj3 h THR 48 CO 0.01 0.00 0.20 0.28 0.37 0.00 0.00 175.52 176.38 2dj3 h SER 49 N -0.64 0.99 -0.26 4.18 0.02 -1.43 -0.05 113.55 116.37 2dj3 h SER 49 Ca 0.03 -0.19 0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2dj3 h SER 49 Cb 0.69 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2dj3 h SER 49 CO -0.30 0.93 0.21 0.25 -1.14 0.00 0.00 176.83 176.79 2dj3 h LEU 50 N 1.02 0.00 0.00 5.07 5.85 -0.77 0.32 115.31 126.80 2dj3 h LEU 50 Ca 0.22 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 2dj3 h LEU 50 Cb 0.31 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2dj3 h LEU 50 CO -0.01 0.00 -0.97 0.61 -0.34 0.00 0.00 178.44 177.73 2dj3 n GLY 51 N -1.53 -0.79 0.42 3.75 0.00 -0.33 -3.33 105.19 103.38 2dj3 n GLY 51 Ca 0.03 -0.15 0.23 0.00 0.00 0.00 0.00 46.02 46.14 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 0.16 0.08 1.61 2.10 -0.99 0.78 116.57 119.33 2dj3 h LYS 52 Ca -0.14 -0.01 -0.29 0.00 -2.00 0.00 0.00 60.65 58.21 2dj3 h LYS 52 Cb 0.89 -0.04 0.03 0.00 -0.90 0.00 0.00 32.23 32.21 2dj3 h LYS 52 CO -0.08 0.11 -1.19 1.57 -2.00 0.00 0.00 179.45 177.86 2dj3 h LYS 53 N 0.17 0.65 0.00 0.07 2.10 -1.12 -3.13 116.57 115.31 2dj3 h LYS 53 Ca 0.42 -0.81 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2dj3 h LYS 53 Cb 1.37 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.96 2dj3 h LYS 53 CO -0.08 1.37 0.00 0.66 -2.00 0.00 0.00 179.45 179.40 2dj3 n TYR 54 N -3.81 0.00 0.23 0.07 4.02 0.11 -3.56 117.16 114.22 2dj3 n TYR 54 Ca -0.13 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 57.93 2dj3 n TYR 54 Cb 0.96 0.00 0.85 0.00 -0.02 0.00 0.00 39.34 41.13 2dj3 n TYR 54 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 2dj3 h LYS 55 N 0.00 0.00 -1.35 -0.72 1.79 -1.07 -1.65 116.57 113.58 2dj3 h LYS 55 Ca 0.00 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 2dj3 h LYS 55 Cb 0.00 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 30.49 2dj3 h LYS 55 CO 0.00 0.00 0.46 0.41 -1.08 0.00 0.00 179.45 179.24 2dj3 n GLY 56 N -1.38 4.17 3.89 3.86 0.00 -1.23 -4.92 105.19 109.58 2dj3 n GLY 56 Ca 0.01 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 2dj3 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dj3 s GLN 57 N -2.07 2.57 -0.38 1.61 -1.52 -0.62 -5.10 119.66 114.16 2dj3 s GLN 57 Ca 0.35 -1.50 -0.12 0.00 -1.95 0.00 0.00 55.36 52.14 2dj3 s GLN 57 Cb 0.28 -2.42 0.02 0.00 -0.22 0.00 0.00 33.01 30.67 2dj3 s GLN 57 CO 0.01 -0.20 0.23 0.21 -0.25 0.00 0.00 175.29 175.30 2dj3 s LYS 58 N -4.15 3.00 -1.07 2.91 2.47 -1.26 -4.50 119.74 117.14 2dj3 s LYS 58 Ca 0.49 -0.97 -0.01 0.00 -1.56 0.00 0.00 55.97 53.92 2dj3 s LYS 58 Cb -0.04 -3.80 -0.01 0.00 -1.46 0.00 0.00 37.83 32.52 2dj3 s LYS 58 CO 0.28 -0.66 0.90 -0.25 0.16 0.00 0.00 175.35 175.78 2dj3 n ASP 59 N 5.06 -2.60 -3.70 1.43 8.00 -1.26 -4.96 116.55 118.53 2dj3 n ASP 59 Ca -0.12 -0.57 -0.12 0.00 0.71 0.00 0.00 54.79 54.68 2dj3 n ASP 59 Cb 0.47 -4.70 -0.13 0.00 -0.02 0.00 0.00 41.12 36.74 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 -5.84 0.03 -0.16 0.64 2.96 -1.26 -2.67 118.68 112.39 2dj3 s LEU 60 Ca 0.06 0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 54.53 2dj3 s LEU 60 Cb -0.01 0.80 0.06 0.00 0.50 0.00 0.00 46.19 47.54 2dj3 s LEU 60 CO 0.66 -0.20 0.08 -0.69 -1.32 0.00 0.00 176.35 174.88 2dj3 s VAL 61 N 1.80 -0.05 -0.65 1.68 1.01 -1.20 -4.77 120.40 118.21 2dj3 s VAL 61 Ca -0.05 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 2dj3 s VAL 61 Cb -0.11 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.74 2dj3 s VAL 61 CO -0.09 -0.23 1.25 -0.63 0.00 0.00 0.00 175.10 175.40 2dj3 s ILE 62 N 2.12 3.86 0.43 2.22 1.01 -1.26 -3.02 121.20 126.56 2dj3 s ILE 62 Ca 0.02 0.66 0.07 0.00 0.00 0.00 0.00 60.65 61.41 2dj3 s ILE 62 Cb -0.16 -4.80 -0.03 0.00 0.01 0.00 0.00 42.46 37.49 2dj3 s ILE 62 CO -0.08 -1.57 0.31 0.00 0.00 0.00 0.00 174.94 173.60 2dj3 s ALA 63 N 5.41 3.92 0.16 9.38 0.00 -0.59 -3.07 121.76 136.97 2dj3 s ALA 63 Ca 0.40 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2dj3 s ALA 63 Cb -0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 2dj3 s ALA 63 CO 0.21 -0.22 0.05 -1.59 0.00 0.00 0.00 175.76 174.20 2dj3 s LYS 64 N -4.06 1.06 0.08 0.00 -2.85 0.16 -2.58 119.74 111.55 2dj3 s LYS 64 Ca 0.44 -1.52 -0.24 0.00 -1.00 0.00 0.00 55.97 53.66 2dj3 s LYS 64 Cb -0.00 0.04 0.06 0.00 -2.06 0.00 0.00 37.83 35.87 2dj3 s LYS 64 CO 0.25 -0.24 0.57 1.41 0.10 0.00 0.00 175.35 177.45 2dj3 s MET 65 N -4.02 1.14 -0.83 1.78 1.75 -0.92 -0.02 119.30 118.18 2dj3 s MET 65 Ca 0.27 -0.27 -0.09 0.00 -1.25 0.00 0.00 55.69 54.34 2dj3 s MET 65 Cb 0.07 0.52 0.21 0.00 2.84 0.00 0.00 34.83 38.48 2dj3 s MET 65 CO 0.05 -0.44 0.74 0.16 -0.65 0.00 0.00 175.02 174.88 2dj3 s ASP 66 N -2.20 6.39 0.57 1.11 -4.77 -1.26 -1.32 116.67 115.19 2dj3 s ASP 66 Ca -0.03 -2.99 0.28 0.00 -3.30 0.00 0.00 52.55 46.51 2dj3 s ASP 66 Cb -0.00 -2.09 1.50 0.00 -1.09 0.00 0.00 42.92 41.24 2dj3 s ASP 66 CO -0.05 -0.44 1.99 0.00 0.70 0.00 0.00 175.17 177.37 2dj3 h ALA 67 N 7.23 2.19 -0.33 2.11 0.00 -1.72 0.28 119.26 129.01 2dj3 h ALA 67 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2dj3 h ALA 67 Cb 0.97 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2dj3 h ALA 67 CO 0.79 -0.58 0.22 1.79 0.00 0.00 0.00 179.25 181.47 2dj3 h THR 68 N 0.00 1.01 0.00 0.00 1.35 -1.90 -3.22 112.91 110.14 2dj3 h THR 68 Ca 0.19 -0.11 -0.29 0.00 -0.55 0.00 0.00 66.41 65.65 2dj3 h THR 68 Cb 0.94 0.66 -0.05 0.00 -1.73 0.00 0.00 68.15 67.96 2dj3 h THR 68 CO -0.00 0.06 -2.07 0.00 -0.25 0.00 0.00 175.52 173.26 2dj3 n ALA 69 N -2.52 1.62 -2.70 6.62 0.00 0.17 -4.96 120.51 118.75 2dj3 n ALA 69 Ca 0.03 -0.79 -0.38 0.00 0.00 0.00 0.00 53.44 52.30 2dj3 n ALA 69 Cb 0.17 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 -6.01 6.61 -0.23 0.00 0.01 0.75 -5.05 114.94 111.03 2dj3 s ASN 70 Ca -0.26 0.73 -0.23 0.00 -0.71 0.00 0.00 52.86 52.40 2dj3 s ASN 70 Cb 0.07 -2.27 -0.01 0.00 0.41 0.00 0.00 41.25 39.44 2dj3 s ASN 70 CO 0.41 -0.04 0.73 -1.81 -1.51 0.00 0.00 177.10 174.88 2dj3 s ASP 71 N 0.78 6.74 -0.53 -1.22 1.01 -1.26 -4.17 116.67 118.02 2dj3 s ASP 71 Ca 0.24 0.92 -0.27 0.00 0.71 0.00 0.00 52.55 54.14 2dj3 s ASP 71 Cb -0.15 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2dj3 s ASP 71 CO 0.09 -0.41 1.76 -0.63 0.21 0.00 0.00 175.17 176.19 2dj3 s ILE 72 N 2.49 3.47 0.42 0.77 1.01 -1.26 -4.85 121.20 123.25 2dj3 s ILE 72 Ca 0.31 0.37 0.14 0.00 0.00 0.00 0.00 60.65 61.47 2dj3 s ILE 72 Cb -0.16 -3.96 0.34 0.00 0.01 0.00 0.00 42.46 38.69 2dj3 s ILE 72 CO 0.09 -0.83 1.93 0.71 0.00 0.00 0.00 174.94 176.84 2dj3 h THR 73 N 6.77 0.84 -2.74 2.92 1.35 -1.94 -3.43 112.91 116.68 2dj3 h THR 73 Ca -0.28 -0.16 -0.41 0.00 -0.55 0.00 0.00 66.41 65.01 2dj3 h THR 73 Cb 1.15 0.33 0.22 0.00 -1.73 0.00 0.00 68.15 68.11 2dj3 h THR 73 CO 1.16 0.09 -0.40 0.59 -0.25 0.00 0.00 175.52 176.71 2dj3 n ASN 74 N -4.49 -2.51 -0.01 5.36 3.02 -1.26 -4.99 115.26 110.38 2dj3 n ASN 74 Ca 0.13 -0.31 -0.01 0.00 -0.03 0.00 0.00 54.58 54.36 2dj3 n ASN 74 Cb 0.47 -1.08 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 2dj3 n ASN 74 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2dj3 n ASP 75 N -3.87 4.33 0.07 6.41 -0.08 -1.26 -4.67 116.55 117.48 2dj3 n ASP 75 Ca 0.04 -0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.24 2dj3 n ASP 75 Cb 0.56 0.53 0.05 0.00 2.34 0.00 0.00 41.12 44.60 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 0.30 -6.39 -0.67 7.50 -1.94 -3.41 115.11 110.50 2dj3 h GLN 76 Ca -0.07 -0.24 -0.54 0.00 0.50 0.00 0.00 58.65 58.29 2dj3 h GLN 76 Cb 1.16 0.05 -0.08 0.00 0.05 0.00 0.00 27.48 28.66 2dj3 h GLN 76 CO 0.00 0.89 1.06 0.71 -1.50 0.00 0.00 178.83 179.99 2dj3 s TYR 77 N -3.58 2.32 -0.15 2.96 1.51 -1.26 -4.85 117.35 114.29 2dj3 s TYR 77 Ca -0.04 0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 2dj3 s TYR 77 Cb 0.11 -4.57 0.01 0.00 -0.11 0.00 0.00 41.96 37.39 2dj3 s TYR 77 CO 0.82 -1.98 -0.18 0.15 -1.11 0.00 0.00 175.55 173.24 2dj3 s LYS 78 N 5.62 3.11 -0.90 -0.62 1.02 -1.26 -4.91 119.74 121.79 2dj3 s LYS 78 Ca 0.39 -0.80 -0.14 0.00 0.02 0.00 0.00 55.97 55.44 2dj3 s LYS 78 Cb -0.08 -2.55 0.21 0.00 -0.52 0.00 0.00 37.83 34.89 2dj3 s LYS 78 CO 0.18 -0.04 0.91 0.08 -0.92 0.00 0.00 175.35 175.56 2dj3 s VAL 79 N 0.91 5.50 0.17 3.17 1.01 -1.26 -4.86 120.40 125.04 2dj3 s VAL 79 Ca -0.04 -2.47 -0.07 0.00 0.00 0.00 0.00 61.98 59.39 2dj3 s VAL 79 Cb -0.15 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 2dj3 s VAL 79 CO -0.03 -1.16 1.50 -0.33 0.00 0.00 0.00 175.10 175.09 2dj3 h GLU 80 N 7.76 0.77 0.00 2.72 5.08 -1.97 -3.48 114.58 125.46 2dj3 h GLU 80 Ca 0.14 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2dj3 h GLU 80 Cb 1.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2dj3 h GLU 80 CO 0.87 1.05 0.00 0.41 -1.00 0.00 0.00 179.01 180.34 2dj3 n GLY 81 N 0.15 4.49 3.30 -3.84 0.00 -1.26 -5.18 105.19 102.84 2dj3 n GLY 81 Ca -0.02 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.40 -0.37 1.20 1.61 0.08 -1.26 -4.37 117.98 113.47 2dj3 s PHE 82 Ca 0.00 0.78 -0.19 0.00 0.12 0.00 0.00 56.93 57.64 2dj3 s PHE 82 Cb 0.00 0.16 0.28 0.00 -0.57 0.00 0.00 43.02 42.89 2dj3 s PHE 82 CO 0.00 -0.33 1.11 -1.25 -0.10 0.00 0.00 175.22 174.65 2dj3 s PRO 83 N -0.54 -1.19 -0.27 0.24 0.04 -1.26 -4.57 135.00 127.45 2dj3 s PRO 83 Ca -0.07 -0.06 -0.01 0.00 0.04 0.00 0.00 61.00 60.91 2dj3 s PRO 83 Cb -0.04 -1.60 0.16 0.00 0.04 0.00 0.00 34.50 33.06 2dj3 s PRO 83 CO 0.03 -3.69 0.45 0.99 0.04 0.00 0.00 177.00 174.82 2dj3 s THR 84 N -3.01 -0.73 0.01 1.26 2.01 -0.98 -5.02 115.64 109.18 2dj3 s THR 84 Ca 0.71 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.62 2dj3 s THR 84 Cb -0.10 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 2dj3 s THR 84 CO 0.56 -0.10 0.15 -0.63 -0.69 0.00 0.00 174.62 173.91 2dj3 s ILE 85 N 2.64 5.16 -0.07 1.82 1.01 -1.26 0.89 121.20 131.40 2dj3 s ILE 85 Ca 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 2dj3 s ILE 85 Cb -0.15 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 38.93 2dj3 s ILE 85 CO -0.19 0.28 0.16 -0.31 0.00 0.00 0.00 174.94 174.87 2dj3 s TYR 86 N -1.33 -0.19 -0.32 3.97 2.02 0.19 -3.14 117.35 118.55 2dj3 s TYR 86 Ca 0.28 0.51 -0.11 0.00 -0.37 0.00 0.00 57.07 57.37 2dj3 s TYR 86 Cb -0.12 -0.03 -0.01 0.00 -0.40 0.00 0.00 41.96 41.39 2dj3 s TYR 86 CO 0.20 -0.15 0.19 0.12 -1.57 0.00 0.00 175.55 174.33 2dj3 s PHE 87 N 0.91 3.20 -0.62 2.71 2.19 -0.75 -0.57 117.98 125.06 2dj3 s PHE 87 Ca -0.07 -0.42 -0.13 0.00 0.33 0.00 0.00 56.93 56.64 2dj3 s PHE 87 Cb -0.09 -2.41 0.16 0.00 -1.31 0.00 0.00 43.02 39.37 2dj3 s PHE 87 CO -0.05 -0.42 0.54 0.00 1.83 0.00 0.00 175.22 177.12 2dj3 s ALA 88 N 1.66 3.71 -0.10 11.12 0.00 -0.86 -3.09 121.76 134.20 2dj3 s ALA 88 Ca 0.05 -2.83 -0.29 0.00 0.00 0.00 0.00 51.96 48.89 2dj3 s ALA 88 Cb -0.17 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2dj3 s ALA 88 CO 0.08 -2.08 1.53 -1.25 0.00 0.00 0.00 175.76 174.05 2dj3 s PRO 89 N 0.99 4.16 -0.62 0.00 0.04 -1.26 -1.76 135.00 136.56 2dj3 s PRO 89 Ca 0.09 1.98 -0.33 0.00 0.04 0.00 0.00 61.00 62.78 2dj3 s PRO 89 Cb -0.23 -3.92 -0.15 0.00 0.04 0.00 0.00 34.50 30.24 2dj3 s PRO 89 CO -0.02 -0.85 2.40 -1.13 0.04 0.00 0.00 177.00 177.44 2dj3 n SER 90 N 7.10 1.34 0.00 6.66 3.41 -1.26 -0.86 113.62 130.01 2dj3 n SER 90 Ca 0.16 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2dj3 n SER 90 Cb 0.44 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 2dj3 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj3 n GLY 91 N 6.58 3.36 2.16 5.00 0.00 -1.26 -4.87 105.19 116.14 2dj3 n GLY 91 Ca 0.51 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 6.16 -0.07 1.61 8.00 -0.04 -4.63 116.55 127.60 2dj3 n ASP 92 Ca 0.00 -3.76 -0.03 0.00 0.71 0.00 0.00 54.79 51.71 2dj3 n ASP 92 Cb 0.00 -0.81 0.20 0.00 -0.02 0.00 0.00 41.12 40.49 2dj3 n ASP 92 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2dj3 h LYS 93 N 1.80 0.70 -1.20 -1.24 1.57 -1.77 -2.85 116.57 113.58 2dj3 h LYS 93 Ca 0.54 -0.18 0.35 0.00 -1.87 0.00 0.00 60.65 59.48 2dj3 h LYS 93 Cb 1.32 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 2dj3 h LYS 93 CO 1.26 0.73 1.19 1.63 -0.57 0.00 0.00 179.45 183.69 2dj3 n LYS 94 N -4.22 0.01 -3.91 3.15 4.76 -1.26 -2.98 118.16 113.71 2dj3 n LYS 94 Ca 0.02 0.96 -0.33 0.00 -2.87 0.00 0.00 58.31 56.09 2dj3 n LYS 94 Cb 0.29 -2.35 -0.13 0.00 -1.84 0.00 0.00 35.03 31.00 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 -3.53 4.95 0.46 4.39 0.01 -1.08 -4.81 114.94 115.33 2dj3 s ASN 95 Ca -0.03 -2.21 -0.23 0.00 -0.71 0.00 0.00 52.86 49.68 2dj3 s ASN 95 Cb 0.16 -1.72 -0.07 0.00 0.41 0.00 0.00 41.25 40.03 2dj3 s ASN 95 CO 0.54 -0.43 1.16 -2.16 -1.51 0.00 0.00 177.10 174.70 2dj3 s PRO 96 N 0.85 3.74 -0.36 -0.60 0.04 -1.16 -4.84 135.00 132.67 2dj3 s PRO 96 Ca 0.11 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 2dj3 s PRO 96 Cb -0.21 -2.39 0.09 0.00 0.04 0.00 0.00 34.50 32.03 2dj3 s PRO 96 CO -0.06 -0.56 0.12 0.42 0.04 0.00 0.00 177.00 176.95 2dj3 s ILE 97 N -1.55 3.04 -0.02 0.56 1.01 -1.18 -4.95 121.20 118.12 2dj3 s ILE 97 Ca 0.64 -1.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.12 2dj3 s ILE 97 Cb -0.28 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2dj3 s ILE 97 CO 0.34 -0.49 0.94 -0.75 0.00 0.00 0.00 174.94 174.99 2dj3 s LYS 98 N 1.14 4.53 -0.56 2.79 2.20 -1.26 -1.80 119.74 126.78 2dj3 s LYS 98 Ca 0.04 1.34 -0.27 0.00 -0.36 0.00 0.00 55.97 56.73 2dj3 s LYS 98 Cb -0.21 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2dj3 s LYS 98 CO -0.04 -0.05 1.67 0.12 -0.36 0.00 0.00 175.35 176.69 2dj3 s PHE 99 N 1.05 1.92 -0.45 4.03 5.36 -1.19 -4.96 117.98 123.75 2dj3 s PHE 99 Ca 0.50 0.60 -0.21 0.00 -0.96 0.00 0.00 56.93 56.86 2dj3 s PHE 99 Cb -0.20 -4.23 0.03 0.00 -0.34 0.00 0.00 43.02 38.27 2dj3 s PHE 99 CO 0.26 -2.29 0.66 -1.21 -1.46 0.00 0.00 175.22 171.18 2dj3 s GLU 100 N 6.25 3.26 -0.30 10.12 2.02 -1.26 -4.88 118.70 133.91 2dj3 s GLU 100 Ca 0.62 -0.44 -0.15 0.00 0.02 0.00 0.00 54.97 55.02 2dj3 s GLU 100 Cb -0.13 -3.98 0.17 0.00 0.10 0.00 0.00 34.13 30.30 2dj3 s GLU 100 CO 0.24 -1.06 1.14 0.20 0.02 0.00 0.00 175.26 175.80 2dj3 s GLY 101 N 2.13 -0.27 0.28 -1.39 0.00 -1.26 -5.02 107.32 101.78 2dj3 s GLY 101 Ca 0.22 2.90 0.09 0.00 0.00 0.00 0.00 44.72 47.93 2dj3 s GLY 101 CO 0.18 3.93 1.28 0.61 0.00 0.00 0.00 173.10 179.10 2dj3 n GLY 102 N 5.44 -0.87 3.70 0.20 0.00 -1.26 -4.01 105.19 108.39 2dj3 n GLY 102 Ca -0.06 0.73 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.82 6.60 -0.74 1.61 -0.87 -1.26 -5.02 114.94 110.44 2dj3 s ASN 103 Ca -0.09 0.71 0.04 0.00 -1.57 0.00 0.00 52.86 51.95 2dj3 s ASN 103 Cb 0.26 -2.27 0.18 0.00 -0.02 0.00 0.00 41.25 39.39 2dj3 s ASN 103 CO 0.63 -0.06 0.54 0.54 -2.57 0.00 0.00 177.10 176.19 2dj3 n ARG 104 N 4.13 1.97 -4.43 -0.60 1.74 -1.26 -4.84 116.66 113.37 2dj3 n ARG 104 Ca -0.07 -4.50 -0.30 0.00 -0.77 0.00 0.00 57.85 52.21 2dj3 n ARG 104 Cb 0.51 -2.31 -0.05 0.00 -1.02 0.00 0.00 32.46 29.59 2dj3 n ARG 104 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2dj3 n ASP 105 N 1.97 3.24 0.13 0.55 2.03 -1.26 -4.89 116.55 118.33 2dj3 n ASP 105 Ca 0.20 -3.09 -0.01 0.00 0.52 0.00 0.00 54.79 52.41 2dj3 n ASP 105 Cb 0.35 0.27 0.22 0.00 -0.72 0.00 0.00 41.12 41.25 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 0.09 -0.05 -2.67 6.46 -1.98 0.56 115.31 117.72 2dj3 h LEU 106 Ca -0.40 -0.04 -0.26 0.00 -0.12 0.00 0.00 57.88 57.07 2dj3 h LEU 106 Cb 1.24 -0.02 0.02 0.00 -0.73 0.00 0.00 40.66 41.16 2dj3 h LEU 106 CO 0.65 0.58 -1.02 -0.08 -0.62 0.00 0.00 178.44 177.95 2dj3 h GLU 107 N 0.06 0.62 -0.01 1.25 4.22 -1.97 -2.23 114.58 116.53 2dj3 h GLU 107 Ca -0.00 -0.67 -0.26 0.00 0.08 0.00 0.00 59.36 58.50 2dj3 h GLU 107 Cb 0.93 0.19 0.02 0.00 0.50 0.00 0.00 28.75 30.39 2dj3 h GLU 107 CO 0.07 1.27 -1.02 0.45 -2.18 0.00 0.00 179.01 177.60 2dj3 h HIS 108 N 0.35 1.04 0.06 0.92 3.86 -1.88 -3.03 115.15 116.47 2dj3 h HIS 108 Ca -0.12 -0.56 -0.00 0.00 -1.16 0.00 0.00 60.37 58.53 2dj3 h HIS 108 Cb 1.67 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 30.02 2dj3 h HIS 108 CO 0.09 1.40 -0.03 -0.07 0.86 0.00 0.00 177.93 180.18 2dj3 h LEU 109 N 0.41 -0.07 -0.83 2.43 3.38 -0.97 -3.04 115.31 116.62 2dj3 h LEU 109 Ca -0.12 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 57.74 2dj3 h LEU 109 Cb 1.68 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.36 2dj3 h LEU 109 CO 0.20 0.19 0.44 0.77 0.09 0.00 0.00 178.44 180.13 2dj3 h SER 110 N -0.33 0.56 0.15 -0.43 4.64 -1.50 0.45 113.55 117.09 2dj3 h SER 110 Ca -0.01 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2dj3 h SER 110 Cb 0.29 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2dj3 h SER 110 CO 0.01 0.27 0.00 0.11 -0.87 0.00 0.00 176.83 176.36 2dj3 h LYS 111 N 0.67 0.00 0.04 4.77 1.57 -1.42 -2.45 116.57 119.75 2dj3 h LYS 111 Ca 0.43 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.84 2dj3 h LYS 111 Cb 0.54 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 2dj3 h LYS 111 CO -0.32 0.00 -2.12 0.34 -0.57 0.00 0.00 179.45 176.78 2dj3 n PHE 112 N -2.42 0.61 0.28 -1.35 -0.00 0.14 -4.05 117.46 110.68 2dj3 n PHE 112 Ca -0.01 0.17 -0.17 0.00 -0.00 0.00 0.00 57.45 57.44 2dj3 n PHE 112 Cb 0.08 -1.07 -0.09 0.00 -0.00 0.00 0.00 39.48 38.40 2dj3 n PHE 112 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2dj3 h ILE 113 N -0.33 0.00 -0.36 -2.13 2.04 -0.70 -2.73 117.51 113.29 2dj3 h ILE 113 Ca -0.51 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.39 2dj3 h ILE 113 Cb 1.79 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.79 2dj3 h ILE 113 CO -0.11 0.00 -0.53 0.44 0.00 0.00 0.00 178.15 177.95 2dj3 h ASP 114 N -0.93 -1.75 -0.68 1.72 3.32 -1.71 0.84 116.42 117.23 2dj3 h ASP 114 Ca -0.06 0.23 0.06 0.00 0.02 0.00 0.00 57.03 57.28 2dj3 h ASP 114 Cb 0.81 0.71 -0.08 0.00 0.22 0.00 0.00 39.33 40.99 2dj3 h ASP 114 CO -0.05 -0.39 -0.40 -0.62 -1.72 0.00 0.00 179.24 176.06 2dj3 n GLU 115 N -5.22 -0.30 0.26 3.56 1.02 -1.17 0.20 120.64 119.00 2dj3 n GLU 115 Ca -0.04 1.20 0.15 0.00 -0.02 0.00 0.00 57.16 58.46 2dj3 n GLU 115 Cb 0.32 -1.77 0.65 0.00 -0.02 0.00 0.00 31.44 30.63 2dj3 n GLU 115 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dj3 h HIS 116 N 0.00 0.00 -1.77 -0.32 3.86 -1.09 -3.41 115.15 112.42 2dj3 h HIS 116 Ca 0.11 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.18 2dj3 h HIS 116 Cb 0.28 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.83 2dj3 h HIS 116 CO -0.86 0.07 -0.06 0.00 0.86 0.00 0.00 177.93 177.94 2dj3 n ALA 117 N -2.14 -2.00 -0.72 2.45 0.00 0.54 -4.74 120.51 113.90 2dj3 n ALA 117 Ca 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 53.44 52.77 2dj3 n ALA 117 Cb 0.32 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.61 2dj3 n ALA 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dj3 n THR 118 N -4.06 2.21 -3.94 0.00 -1.04 -1.26 -4.60 114.28 101.59 2dj3 n THR 118 Ca 0.05 -1.05 -0.28 0.00 -2.04 0.00 0.00 64.05 60.73 2dj3 n THR 118 Cb 0.23 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 2dj3 n THR 118 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2dj3 n LYS 119 N 2.47 -4.26 -2.60 -2.82 4.01 -1.26 -4.85 118.16 108.86 2dj3 n LYS 119 Ca 0.29 0.50 -0.41 0.00 -0.51 0.00 0.00 58.31 58.17 2dj3 n LYS 119 Cb 0.67 -5.05 -0.03 0.00 -0.51 0.00 0.00 35.03 30.10 2dj3 n LYS 119 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2dj3 s ARG 120 N -6.52 3.58 1.06 1.97 3.00 -1.26 -4.99 118.95 115.78 2dj3 s ARG 120 Ca 0.33 -1.16 -0.18 0.00 0.00 0.00 0.00 55.73 54.72 2dj3 s ARG 120 Cb -0.17 -5.29 0.27 0.00 0.00 0.00 0.00 34.95 29.76 2dj3 s ARG 120 CO 0.86 -2.17 0.84 0.43 0.00 0.00 0.00 175.30 175.26 2dj3 n SER 121 N 8.67 -2.43 -4.21 0.23 7.64 -1.26 -4.92 113.62 117.34 2dj3 n SER 121 Ca 0.31 -0.95 -0.16 0.00 1.01 0.00 0.00 58.87 59.08 2dj3 n SER 121 Cb 0.51 -0.81 -0.11 0.00 -1.01 0.00 0.00 64.21 62.78 2dj3 n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dj3 s ARG 122 N -4.92 0.93 0.33 1.43 3.03 -1.26 -5.15 118.95 113.33 2dj3 s ARG 122 Ca 0.57 -1.19 -0.16 0.00 2.03 0.00 0.00 55.73 56.98 2dj3 s ARG 122 Cb -0.07 -0.72 -0.09 0.00 -1.03 0.00 0.00 34.95 33.04 2dj3 s ARG 122 CO 0.45 0.13 0.76 -0.08 -1.13 0.00 0.00 175.30 175.42 2dj3 s THR 123 N -2.25 4.64 -1.01 4.99 -1.32 -1.26 -4.18 115.64 115.24 2dj3 s THR 123 Ca 0.07 1.04 -0.01 0.00 -1.21 0.00 0.00 61.69 61.58 2dj3 s THR 123 Cb -0.04 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.32 2dj3 s THR 123 CO 0.02 -0.17 0.85 1.17 -2.21 0.00 0.00 174.62 174.28 2dj3 n LYS 124 N -0.30 -5.63 -1.36 7.08 3.00 -1.26 -4.89 118.16 114.80 2dj3 n LYS 124 Ca 0.03 0.70 -0.45 0.00 -0.00 0.00 0.00 58.31 58.59 2dj3 n LYS 124 Cb 0.53 -5.27 -0.02 0.00 0.00 0.00 0.00 35.03 30.27 2dj3 n LYS 124 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2dj3 n GLU 125 N -3.68 0.02 -4.60 1.64 -0.00 -1.26 -4.98 120.64 107.78 2dj3 n GLU 125 Ca -0.20 0.01 -0.28 0.00 -0.00 0.00 0.00 57.16 56.69 2dj3 n GLU 125 Cb 0.63 -1.01 -0.09 0.00 -0.00 0.00 0.00 31.44 30.97 2dj3 n GLU 125 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2dj3 s GLU 126 N -1.01 1.97 0.18 3.44 4.04 -1.26 -5.15 118.70 120.91 2dj3 s GLU 126 Ca 0.62 -2.20 -0.04 0.00 0.04 0.00 0.00 54.97 53.39 2dj3 s GLU 126 Cb -0.80 -1.08 -0.05 0.00 0.02 0.00 0.00 34.13 32.22 2dj3 s GLU 126 CO 0.59 -0.34 0.42 -0.51 -1.84 0.00 0.00 175.26 173.58 2dj3 s LEU 127 N -3.69 4.22 0.19 1.83 2.01 -1.26 -5.00 118.68 116.98 2dj3 s LEU 127 Ca 0.21 0.60 -0.14 0.00 0.01 0.00 0.00 54.13 54.82 2dj3 s LEU 127 Cb 0.04 -3.35 0.19 0.00 0.01 0.00 0.00 46.19 43.08 2dj3 s LEU 127 CO 0.11 -0.01 1.68 0.77 1.01 0.00 0.00 176.35 179.91 2dj3 h SER 128 N 2.49 -0.25 0.00 2.29 4.64 -1.96 -3.48 113.55 117.28 2dj3 h SER 128 Ca -0.47 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2dj3 h SER 128 Cb 1.17 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2dj3 h SER 128 CO 0.71 -0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 2dj3 n GLY 129 N -1.32 1.90 0.00 -0.77 0.00 -1.26 -4.85 105.19 98.89 2dj3 n GLY 129 Ca 0.05 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.65 2dj3 n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dj3 n PRO 130 N 0.00 0.17 -4.76 1.61 -0.04 -1.26 -4.67 135.00 126.06 2dj3 n PRO 130 Ca 0.00 0.17 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 2dj3 n PRO 130 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2dj3 n PRO 130 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dj3 s SER 131 N -2.65 2.03 -0.16 3.54 0.01 -1.26 -5.06 113.70 110.15 2dj3 s SER 131 Ca 0.13 -0.35 -0.14 0.00 1.31 0.00 0.00 55.95 56.89 2dj3 s SER 131 Cb 0.10 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 66.05 2dj3 s SER 131 CO 0.23 0.19 -0.30 -0.24 0.41 0.00 0.00 173.24 173.53 2dj3 n SER 132 N 2.50 1.78 0.00 2.44 2.88 -1.26 -4.45 113.62 117.50 2dj3 n SER 132 Ca -0.15 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2dj3 n SER 132 Cb 0.54 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2dj3 n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42