#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 4.67 -0.06 1.61 0.01 -1.26 -4.91 113.70 113.76 2dj3 s SER 2 Ca 0.00 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.07 2dj3 s SER 2 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2dj3 s SER 2 CO 0.00 -3.12 -0.16 -0.55 0.41 0.00 0.00 173.24 169.82 2dj3 s SER 3 N 9.29 2.09 0.00 2.44 0.15 -1.26 -5.10 113.70 121.32 2dj3 s SER 3 Ca 0.79 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2dj3 s SER 3 Cb -0.10 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 2dj3 s SER 3 CO 0.06 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2dj3 n GLY 4 N 3.44 2.73 0.90 9.45 0.00 -1.26 -5.06 105.19 115.39 2dj3 n GLY 4 Ca -0.20 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.12 2dj3 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dj3 n SER 5 N 0.00 1.22 -4.79 1.61 3.41 -1.26 -5.03 113.62 108.78 2dj3 n SER 5 Ca 0.00 0.17 -0.36 0.00 -0.26 0.00 0.00 58.87 58.41 2dj3 n SER 5 Cb 0.00 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 63.49 2dj3 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dj3 s SER 6 N -5.97 7.25 -0.37 4.04 0.15 -1.26 -4.52 113.70 113.02 2dj3 s SER 6 Ca -0.05 1.74 -0.10 0.00 0.70 0.00 0.00 55.95 58.25 2dj3 s SER 6 Cb 0.01 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2dj3 s SER 6 CO 0.07 -0.07 0.34 0.61 1.20 0.00 0.00 173.24 175.38 2dj3 n GLY 7 N 0.48 -2.52 0.23 9.45 0.00 -1.26 -4.94 105.19 106.63 2dj3 n GLY 7 Ca 0.02 0.90 -0.13 0.00 0.00 0.00 0.00 46.02 46.81 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 2.49 0.76 -6.24 1.61 0.13 -1.84 -3.43 132.00 125.49 2dj3 h PRO 8 Ca -0.02 -0.40 -0.56 0.00 -0.87 0.00 0.00 66.00 64.16 2dj3 h PRO 8 Cb 0.59 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2dj3 h PRO 8 CO 0.15 1.03 1.24 0.08 -0.23 0.00 0.00 178.00 180.27 2dj3 s VAL 9 N -4.37 3.30 0.31 1.56 1.01 -1.26 -4.76 120.40 116.18 2dj3 s VAL 9 Ca -0.12 0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 2dj3 s VAL 9 Cb 0.09 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 2dj3 s VAL 9 CO 0.84 -0.10 1.11 -0.75 0.00 0.00 0.00 175.10 176.21 2dj3 s LYS 10 N 4.90 4.52 -0.14 2.72 2.20 -1.14 -4.80 119.74 128.00 2dj3 s LYS 10 Ca 0.84 1.80 -0.12 0.00 -0.36 0.00 0.00 55.97 58.13 2dj3 s LYS 10 Cb -0.34 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2dj3 s LYS 10 CO 0.35 0.10 0.24 0.14 -0.36 0.00 0.00 175.35 175.82 2dj3 s VAL 11 N -1.24 5.33 -0.14 4.02 -7.23 -1.26 0.12 120.40 120.01 2dj3 s VAL 11 Ca 0.47 0.44 0.02 0.00 -1.81 0.00 0.00 61.98 61.11 2dj3 s VAL 11 Cb -0.31 -3.56 0.01 0.00 0.56 0.00 0.00 36.38 33.08 2dj3 s VAL 11 CO 0.40 0.47 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.78 2dj3 s VAL 12 N -0.04 1.88 0.52 1.32 1.01 0.76 -4.89 120.40 120.95 2dj3 s VAL 12 Ca 0.15 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2dj3 s VAL 12 Cb -0.13 -1.69 0.10 0.00 0.00 0.00 0.00 36.38 34.67 2dj3 s VAL 12 CO 0.04 0.51 0.71 1.33 0.00 0.00 0.00 175.10 177.69 2dj3 n VAL 13 N 4.24 0.00 0.08 2.92 0.24 -1.26 -4.19 118.33 120.37 2dj3 n VAL 13 Ca -0.20 -1.09 -0.03 0.00 -2.04 0.00 0.00 64.34 60.99 2dj3 n VAL 13 Cb 0.51 -1.06 0.20 0.00 -1.47 0.00 0.00 33.84 32.01 2dj3 n VAL 13 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2dj3 h GLY 14 N -0.45 0.31 2.00 7.63 0.00 -1.92 0.28 103.07 110.91 2dj3 h GLY 14 Ca -0.23 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2dj3 h GLY 14 CO 0.25 0.27 0.00 0.58 0.00 0.00 0.00 176.54 177.64 2dj3 n LYS 15 N -4.01 0.17 -0.06 4.80 2.85 -1.26 -3.23 118.16 117.42 2dj3 n LYS 15 Ca -0.02 0.17 0.04 0.00 -1.05 0.00 0.00 58.31 57.45 2dj3 n LYS 15 Cb 0.50 -1.71 0.05 0.00 -0.65 0.00 0.00 35.03 33.22 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 -2.00 1.15 -0.04 0.58 -2.24 -1.00 -4.75 114.28 105.98 2dj3 n THR 16 Ca 0.06 -1.29 -0.13 0.00 -2.27 0.00 0.00 64.05 60.42 2dj3 n THR 16 Cb 0.38 0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.02 0.00 4.78 3.04 -0.43 -1.19 116.94 123.12 2dj3 h PHE 17 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2dj3 h PHE 17 Cb 0.78 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.30 2dj3 h PHE 17 CO 0.01 0.76 0.00 -0.25 -2.02 0.00 0.00 178.31 176.81 2dj3 n ASP 18 N -4.71 0.00 -0.12 0.41 9.92 -1.26 -1.23 116.55 119.56 2dj3 n ASP 18 Ca -0.09 0.23 -0.24 0.00 -0.53 0.00 0.00 54.79 54.16 2dj3 n ASP 18 Cb 0.38 -0.37 -0.11 0.00 -0.64 0.00 0.00 41.12 40.38 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 1.21 -0.00 2.24 0.00 -1.21 -4.23 120.51 117.15 2dj3 n ALA 19 Ca 0.06 -0.99 -0.00 0.00 0.00 0.00 0.00 53.44 52.51 2dj3 n ALA 19 Cb 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -3.83 0.05 0.05 0.00 5.41 -0.45 -3.45 119.36 117.13 2dj3 n ILE 20 Ca -0.47 0.49 0.22 0.00 1.00 0.00 0.00 62.75 63.98 2dj3 n ILE 20 Cb 0.92 -1.53 0.70 0.00 -0.71 0.00 0.00 39.64 39.02 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 -0.03 0.31 -0.69 1.39 2.07 -1.31 0.33 116.25 118.31 2dj3 h VAL 21 Ca 0.00 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.05 2dj3 h VAL 21 Cb 0.02 0.55 -0.30 0.00 -1.52 0.00 0.00 31.29 30.04 2dj3 h VAL 21 CO 0.00 0.00 -0.21 0.23 0.02 0.00 0.00 177.57 177.61 2dj3 n MET 22 N -3.63 2.88 -2.96 1.57 2.81 -0.48 -4.67 117.12 112.63 2dj3 n MET 22 Ca 0.10 -3.68 -0.43 0.00 -1.81 0.00 0.00 57.70 51.87 2dj3 n MET 22 Cb 0.75 -2.15 -0.05 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.89 6.37 0.00 7.83 -1.08 0.12 -4.68 116.67 122.34 2dj3 s ASP 23 Ca 0.52 -0.26 0.10 0.00 -0.52 0.00 0.00 52.55 52.40 2dj3 s ASP 23 Cb 0.43 -2.38 0.63 0.00 -1.46 0.00 0.00 42.92 40.14 2dj3 s ASP 23 CO 0.01 -0.98 1.06 -0.81 0.52 0.00 0.00 175.17 174.98 2dj3 n PRO 24 N 6.81 0.49 0.08 4.34 -0.04 -1.26 -2.26 135.00 143.15 2dj3 n PRO 24 Ca 0.01 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2dj3 n PRO 24 Cb 0.48 -1.34 0.18 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.31 0.54 1.57 -1.93 -3.41 116.57 112.04 2dj3 h LYS 25 Ca 0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 2dj3 h LYS 25 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.06 2dj3 h LYS 25 CO 0.00 0.00 0.78 -1.59 -0.57 0.00 0.00 179.45 178.07 2dj3 s LYS 26 N -3.18 0.30 -0.00 3.15 -2.85 -0.96 -4.95 119.74 111.24 2dj3 s LYS 26 Ca 0.06 0.05 -0.30 0.00 -1.00 0.00 0.00 55.97 54.78 2dj3 s LYS 26 Cb 0.12 0.14 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 2dj3 s LYS 26 CO 0.71 -0.10 1.38 -0.51 0.10 0.00 0.00 175.35 176.93 2dj3 s ASP 27 N -1.19 6.87 -0.14 0.03 1.11 -1.07 -4.30 116.67 117.99 2dj3 s ASP 27 Ca 0.05 2.09 0.01 0.00 0.18 0.00 0.00 52.55 54.87 2dj3 s ASP 27 Cb -0.01 -2.56 -0.00 0.00 1.07 0.00 0.00 42.92 41.42 2dj3 s ASP 27 CO -0.04 -0.70 -0.17 -0.69 1.18 0.00 0.00 175.17 174.75 2dj3 s VAL 28 N 2.33 2.53 -0.56 -1.27 1.01 -0.91 -3.24 120.40 120.29 2dj3 s VAL 28 Ca 0.63 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 2dj3 s VAL 28 Cb -0.31 -2.05 0.07 0.00 0.00 0.00 0.00 36.38 34.10 2dj3 s VAL 28 CO 0.26 0.53 0.73 -0.22 0.00 0.00 0.00 175.10 176.40 2dj3 s LEU 29 N 0.71 4.92 -0.13 3.92 2.96 -1.19 -2.11 118.68 127.76 2dj3 s LEU 29 Ca -0.08 -1.02 -0.16 0.00 -0.22 0.00 0.00 54.13 52.65 2dj3 s LEU 29 Cb -0.16 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2dj3 s LEU 29 CO 0.01 -1.07 0.39 -0.51 -1.32 0.00 0.00 176.35 173.85 2dj3 s ILE 30 N 2.98 5.23 -0.23 6.68 1.10 0.08 -2.06 121.20 135.00 2dj3 s ILE 30 Ca 0.17 0.76 0.02 0.00 -0.51 0.00 0.00 60.65 61.08 2dj3 s ILE 30 Cb -0.20 -3.73 0.05 0.00 0.15 0.00 0.00 42.46 38.74 2dj3 s ILE 30 CO 0.11 0.37 -0.10 -0.70 -2.11 0.00 0.00 174.94 172.51 2dj3 s GLU 31 N 0.45 2.08 -0.49 3.50 2.12 -1.14 0.49 118.70 125.72 2dj3 s GLU 31 Ca 0.21 -1.05 -0.28 0.00 0.36 0.00 0.00 54.97 54.21 2dj3 s GLU 31 Cb -0.14 -2.63 0.01 0.00 0.26 0.00 0.00 34.13 31.63 2dj3 s GLU 31 CO 0.07 -0.50 1.37 -0.06 -0.54 0.00 0.00 175.26 175.60 2dj3 s PHE 32 N 1.29 2.42 0.10 5.30 0.08 0.14 -2.58 117.98 124.73 2dj3 s PHE 32 Ca -0.04 0.59 0.05 0.00 0.12 0.00 0.00 56.93 57.65 2dj3 s PHE 32 Cb -0.18 -4.37 -0.04 0.00 -0.57 0.00 0.00 43.02 37.86 2dj3 s PHE 32 CO -0.07 -1.86 0.02 1.52 -0.10 0.00 0.00 175.22 174.73 2dj3 s TYR 33 N 5.53 3.02 -0.16 0.36 -0.85 -1.02 -1.98 117.35 122.24 2dj3 s TYR 33 Ca 0.55 -0.02 -0.01 0.00 -0.52 0.00 0.00 57.07 57.07 2dj3 s TYR 33 Cb -0.11 -1.53 -0.01 0.00 0.38 0.00 0.00 41.96 40.69 2dj3 s TYR 33 CO 0.29 0.49 -0.11 0.00 -1.52 0.00 0.00 175.55 174.71 2dj3 s ALA 34 N -1.41 2.66 -2.00 9.51 0.00 -1.26 -4.24 121.76 125.02 2dj3 s ALA 34 Ca 0.27 -0.99 0.15 0.00 0.00 0.00 0.00 51.96 51.39 2dj3 s ALA 34 Cb -0.11 -1.36 0.88 0.00 0.00 0.00 0.00 23.12 22.53 2dj3 s ALA 34 CO 0.19 0.01 1.30 -0.35 0.00 0.00 0.00 175.76 176.91 2dj3 n PRO 35 N 3.97 0.48 -0.06 0.00 -0.04 -1.26 -1.90 135.00 136.19 2dj3 n PRO 35 Ca -0.18 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.32 2dj3 n PRO 35 Cb 0.52 -1.48 0.07 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 -0.98 0.00 -5.02 0.54 4.27 -1.26 -5.02 117.44 109.97 2dj3 n TRP 36 Ca 0.11 -0.70 -0.31 0.00 -3.89 0.00 0.00 57.50 52.71 2dj3 n TRP 36 Cb 0.05 -0.10 -0.15 0.00 -1.36 0.00 0.00 31.31 29.76 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 5.12 -0.08 0.03 0.00 0.00 -1.96 -3.15 103.07 103.03 2dj3 h GLY 38 Ca -0.45 0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.02 2dj3 h GLY 38 CO 0.47 -0.03 0.88 0.45 0.00 0.00 0.00 176.54 178.31 2dj3 h HIS 39 N -0.73 0.00 0.07 5.60 3.86 -1.95 1.01 115.15 123.01 2dj3 h HIS 39 Ca -0.01 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.97 2dj3 h HIS 39 Cb 0.61 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.10 2dj3 h HIS 39 CO 0.13 0.00 -0.93 0.00 0.86 0.00 0.00 177.93 177.99 2dj3 h LYS 41 N 0.04 0.99 0.00 0.00 1.57 0.98 0.37 116.57 120.53 2dj3 h LYS 41 Ca -0.14 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.27 2dj3 h LYS 41 Cb 1.65 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 2dj3 h LYS 41 CO 0.18 0.99 -0.25 -0.56 -0.57 0.00 0.00 179.45 179.24 2dj3 h GLN 42 N 0.88 0.00 0.00 3.15 -0.00 -1.49 -2.81 115.11 114.84 2dj3 h GLN 42 Ca 0.16 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.64 2dj3 h GLN 42 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.99 2dj3 h GLN 42 CO 0.03 0.25 -1.49 -0.11 -0.00 0.00 0.00 178.83 177.51 2dj3 n LEU 43 N -3.68 0.77 -0.25 0.06 7.94 -1.00 -4.29 117.00 116.55 2dj3 n LEU 43 Ca -0.01 0.34 -0.04 0.00 -1.11 0.00 0.00 56.01 55.19 2dj3 n LEU 43 Cb 0.37 0.09 -0.02 0.00 0.53 0.00 0.00 43.42 44.40 2dj3 n LEU 43 CO 0.34 0.15 0.33 -0.62 -1.11 0.00 0.00 177.39 176.48 2dj3 n GLU 44 N -2.85 -0.20 -0.04 1.96 -0.58 0.13 0.08 120.64 119.13 2dj3 n GLU 44 Ca -0.11 0.93 -0.13 0.00 -0.42 0.00 0.00 57.16 57.43 2dj3 n GLU 44 Cb 0.84 -1.37 -0.08 0.00 -0.57 0.00 0.00 31.44 30.26 2dj3 n GLU 44 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dj3 h PRO 45 N 0.00 0.27 -1.00 3.49 0.13 -1.76 -1.90 132.00 131.22 2dj3 h PRO 45 Ca 0.16 -0.14 0.20 0.00 -0.87 0.00 0.00 66.00 65.35 2dj3 h PRO 45 Cb 0.31 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.34 2dj3 h PRO 45 CO -0.59 0.68 0.61 0.82 -0.23 0.00 0.00 178.00 179.30 2dj3 h ILE 46 N -0.13 0.67 0.12 -3.56 2.04 -0.54 -0.63 117.51 115.47 2dj3 h ILE 46 Ca 0.02 -0.23 -0.30 0.00 1.00 0.00 0.00 64.86 65.35 2dj3 h ILE 46 Cb 0.63 -0.07 0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2dj3 h ILE 46 CO 0.03 0.12 -1.24 0.22 0.00 0.00 0.00 178.15 177.28 2dj3 h TYR 47 N 0.68 1.00 -0.27 1.37 3.20 -0.42 -3.02 116.97 119.51 2dj3 h TYR 47 Ca 0.58 -0.63 0.04 0.00 3.14 0.00 0.00 58.73 61.86 2dj3 h TYR 47 Cb 1.01 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 39.14 2dj3 h TYR 47 CO -0.00 1.47 -0.50 1.15 -1.64 0.00 0.00 178.16 178.63 2dj3 h THR 48 N 0.27 0.00 -0.61 1.81 2.02 -0.27 -1.39 112.91 114.74 2dj3 h THR 48 Ca -0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2dj3 h THR 48 Cb 1.91 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 2dj3 h THR 48 CO 0.24 0.00 0.35 0.28 0.37 0.00 0.00 175.52 176.75 2dj3 h SER 49 N -0.43 0.75 -0.68 4.18 0.02 -1.60 -1.83 113.55 113.97 2dj3 h SER 49 Ca 0.05 -0.08 0.20 0.00 -0.84 0.00 0.00 61.79 61.12 2dj3 h SER 49 Cb 0.57 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 2dj3 h SER 49 CO -0.48 0.61 0.66 0.25 -1.14 0.00 0.00 176.83 176.74 2dj3 h LEU 50 N 0.82 0.00 0.00 5.07 5.85 -1.18 0.11 115.31 125.98 2dj3 h LEU 50 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2dj3 h LEU 50 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2dj3 h LEU 50 CO -0.04 0.00 -0.37 1.23 -0.34 0.00 0.00 178.44 178.92 2dj3 h GLY 51 N 0.00 0.00 0.75 3.75 0.00 -0.45 -2.89 103.07 104.24 2dj3 h GLY 51 Ca 0.32 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.80 2dj3 h GLY 51 CO -0.00 0.00 0.48 0.07 0.00 0.00 0.00 176.54 177.09 2dj3 h LYS 52 N -0.99 0.00 0.15 4.80 2.10 -1.06 0.78 116.57 122.35 2dj3 h LYS 52 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 2dj3 h LYS 52 Cb 0.37 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.72 2dj3 h LYS 52 CO 0.00 0.00 -1.20 1.57 -2.00 0.00 0.00 179.45 177.82 2dj3 h LYS 53 N 0.00 0.33 -0.00 0.07 2.10 -0.96 -3.30 116.57 114.81 2dj3 h LYS 53 Ca 0.24 -0.56 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 2dj3 h LYS 53 Cb 1.20 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 2dj3 h LYS 53 CO -0.00 1.27 -0.04 0.66 -2.00 0.00 0.00 179.45 179.34 2dj3 n TYR 54 N -3.95 0.00 0.31 0.07 4.02 -0.08 -3.50 117.16 114.02 2dj3 n TYR 54 Ca -0.19 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 57.89 2dj3 n TYR 54 Cb 0.91 -0.24 0.99 0.00 -0.02 0.00 0.00 39.34 40.98 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 0.16 0.00 -0.00 -0.72 1.57 0.41 -0.61 116.57 117.38 2dj3 h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dj3 h LYS 55 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2dj3 h LYS 55 CO 0.00 0.02 -0.12 0.41 -0.57 0.00 0.00 179.45 179.19 2dj3 n GLY 56 N -0.79 -0.94 3.61 3.86 0.00 -1.23 -4.90 105.19 104.81 2dj3 n GLY 56 Ca -0.02 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.50 -0.36 -0.27 1.61 -1.52 -0.24 -5.00 119.66 111.39 2dj3 s GLN 57 Ca 0.28 0.38 -0.16 0.00 -1.95 0.00 0.00 55.36 53.91 2dj3 s GLN 57 Cb 0.20 -1.66 -0.03 0.00 -0.22 0.00 0.00 33.01 31.30 2dj3 s GLN 57 CO 0.48 -3.23 0.43 0.15 -0.25 0.00 0.00 175.29 172.88 2dj3 s LYS 58 N -5.00 4.02 -1.26 2.91 -0.14 -1.26 -4.37 119.74 114.63 2dj3 s LYS 58 Ca 0.67 0.14 -0.07 0.00 -1.36 0.00 0.00 55.97 55.34 2dj3 s LYS 58 Cb -0.17 -3.66 -0.01 0.00 -1.68 0.00 0.00 37.83 32.31 2dj3 s LYS 58 CO 0.58 -0.32 0.68 -0.25 -0.76 0.00 0.00 175.35 175.28 2dj3 n ASP 59 N 5.43 -2.70 -3.58 2.83 8.00 -1.26 -4.93 116.55 120.34 2dj3 n ASP 59 Ca -0.07 -0.93 -0.14 0.00 0.71 0.00 0.00 54.79 54.37 2dj3 n ASP 59 Cb 0.50 -3.66 -0.12 0.00 -0.02 0.00 0.00 41.12 37.82 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 -6.59 -0.29 -0.20 0.64 2.96 -1.26 -2.60 118.68 111.34 2dj3 s LEU 60 Ca 0.19 0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2dj3 s LEU 60 Cb -0.06 0.67 0.05 0.00 0.50 0.00 0.00 46.19 47.35 2dj3 s LEU 60 CO 0.84 -0.27 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.87 2dj3 s VAL 61 N 2.41 1.21 -0.64 1.68 1.01 -1.20 -4.62 120.40 120.25 2dj3 s VAL 61 Ca 0.04 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 2dj3 s VAL 61 Cb -0.13 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.82 2dj3 s VAL 61 CO -0.10 0.01 1.23 -0.63 0.00 0.00 0.00 175.10 175.60 2dj3 s ILE 62 N 1.57 3.90 0.33 2.22 1.01 -1.26 -3.19 121.20 125.78 2dj3 s ILE 62 Ca -0.02 0.72 0.09 0.00 0.00 0.00 0.00 60.65 61.44 2dj3 s ILE 62 Cb -0.17 -4.79 -0.05 0.00 0.01 0.00 0.00 42.46 37.46 2dj3 s ILE 62 CO -0.07 -1.53 0.01 0.00 0.00 0.00 0.00 174.94 173.35 2dj3 s ALA 63 N 5.28 3.21 0.08 9.38 0.00 -0.87 -2.88 121.76 135.95 2dj3 s ALA 63 Ca 0.40 -1.92 0.04 0.00 0.00 0.00 0.00 51.96 50.48 2dj3 s ALA 63 Cb -0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2dj3 s ALA 63 CO 0.22 0.09 -0.11 -1.59 0.00 0.00 0.00 175.76 174.37 2dj3 s LYS 64 N -3.72 0.78 0.04 0.00 -2.85 0.12 -2.86 119.74 111.25 2dj3 s LYS 64 Ca 0.35 -1.02 -0.02 0.00 -1.00 0.00 0.00 55.97 54.28 2dj3 s LYS 64 Cb -0.01 -0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 35.16 2dj3 s LYS 64 CO 0.19 0.11 0.01 1.41 0.10 0.00 0.00 175.35 177.17 2dj3 s MET 65 N -2.25 0.50 -0.49 1.78 1.75 -1.06 -0.17 119.30 119.36 2dj3 s MET 65 Ca 0.00 -0.89 -0.16 0.00 -1.25 0.00 0.00 55.69 53.39 2dj3 s MET 65 Cb -0.06 0.18 0.08 0.00 2.84 0.00 0.00 34.83 37.87 2dj3 s MET 65 CO 0.01 -0.10 0.46 -0.51 -0.65 0.00 0.00 175.02 174.23 2dj3 s ASP 66 N -2.21 6.17 0.42 1.11 1.11 -1.26 -2.44 116.67 119.56 2dj3 s ASP 66 Ca -0.04 -1.31 0.27 0.00 0.18 0.00 0.00 52.55 51.65 2dj3 s ASP 66 Cb -0.01 -2.21 0.82 0.00 1.07 0.00 0.00 42.92 42.59 2dj3 s ASP 66 CO -0.06 -0.74 1.77 0.00 1.18 0.00 0.00 175.17 177.32 2dj3 h ALA 67 N 8.84 1.00 0.00 5.23 0.00 -1.75 0.11 119.26 132.68 2dj3 h ALA 67 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2dj3 h ALA 67 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dj3 h ALA 67 CO 0.92 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.96 2dj3 h THR 68 N 0.00 0.00 0.00 0.00 1.35 -1.91 -3.34 112.91 109.01 2dj3 h THR 68 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2dj3 h THR 68 Cb 0.73 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2dj3 h THR 68 CO 0.00 0.00 -0.98 0.00 -0.25 0.00 0.00 175.52 174.29 2dj3 n ALA 69 N -1.89 2.35 -2.64 6.62 0.00 -1.12 -5.01 120.51 118.83 2dj3 n ALA 69 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 2dj3 n ALA 69 Cb 0.30 0.49 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 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 -4.34 6.45 -0.36 0.00 0.01 0.35 -5.03 114.94 112.02 2dj3 s ASN 70 Ca 0.00 0.54 -0.29 0.00 -0.71 0.00 0.00 52.86 52.40 2dj3 s ASN 70 Cb 0.00 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.41 2dj3 s ASN 70 CO 0.00 -0.21 1.20 -1.81 -1.51 0.00 0.00 177.10 174.78 2dj3 s ASP 71 N 1.34 6.71 -0.81 -1.22 1.11 -1.26 -4.29 116.67 118.24 2dj3 s ASP 71 Ca 0.21 0.94 -0.26 0.00 0.18 0.00 0.00 52.55 53.62 2dj3 s ASP 71 Cb -0.15 -2.54 -0.15 0.00 1.07 0.00 0.00 42.92 41.14 2dj3 s ASP 71 CO 0.09 -1.10 2.40 -0.38 1.18 0.00 0.00 175.17 177.36 2dj3 n ILE 72 N 6.35 0.00 -0.51 0.77 5.41 -1.26 -4.75 119.36 125.38 2dj3 n ILE 72 Ca 0.13 -0.47 0.41 0.00 1.00 0.00 0.00 62.75 63.82 2dj3 n ILE 72 Cb 0.47 -1.97 0.71 0.00 -0.71 0.00 0.00 39.64 38.15 2dj3 n ILE 72 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2dj3 h THR 73 N 7.63 0.12 -3.00 1.39 1.35 -1.92 -3.40 112.91 115.09 2dj3 h THR 73 Ca 0.00 -0.02 -0.37 0.00 -0.55 0.00 0.00 66.41 65.47 2dj3 h THR 73 Cb 1.00 0.06 0.21 0.00 -1.73 0.00 0.00 68.15 67.69 2dj3 h THR 73 CO 1.01 0.01 -0.12 -3.20 -0.25 0.00 0.00 175.52 172.97 2dj3 n ASN 74 N -4.44 -3.83 0.00 5.36 2.85 -1.26 -5.01 115.26 108.93 2dj3 n ASN 74 Ca 0.38 -0.93 0.00 0.00 -0.11 0.00 0.00 54.58 53.92 2dj3 n ASN 74 Cb 1.57 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 2dj3 n ASN 74 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2dj3 n ASP 75 N -5.68 2.78 0.24 1.20 8.00 -1.26 -4.74 116.55 117.09 2dj3 n ASP 75 Ca 0.14 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.72 2dj3 n ASP 75 Cb 0.60 0.14 0.58 0.00 -0.02 0.00 0.00 41.12 42.42 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 2dj3 h GLN 76 N 0.00 0.00 -5.53 -1.24 3.07 -1.95 -3.39 115.11 106.07 2dj3 h GLN 76 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 58.65 58.10 2dj3 h GLN 76 Cb 0.63 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.04 2dj3 h GLN 76 CO 0.00 0.18 0.26 0.71 0.09 0.00 0.00 178.83 180.07 2dj3 s TYR 77 N -4.34 2.99 -0.04 0.06 1.51 -1.26 -4.87 117.35 111.40 2dj3 s TYR 77 Ca -0.03 -0.06 0.07 0.00 -1.01 0.00 0.00 57.07 56.04 2dj3 s TYR 77 Cb 0.14 -3.60 -0.01 0.00 -0.11 0.00 0.00 41.96 38.38 2dj3 s TYR 77 CO 0.65 -1.01 -0.25 0.15 -1.11 0.00 0.00 175.55 173.98 2dj3 s LYS 78 N 3.12 2.29 -0.41 -0.62 1.02 -1.26 -4.93 119.74 118.95 2dj3 s LYS 78 Ca 0.25 -0.89 -0.13 0.00 0.02 0.00 0.00 55.97 55.23 2dj3 s LYS 78 Cb -0.14 -2.05 0.04 0.00 -0.52 0.00 0.00 37.83 35.16 2dj3 s LYS 78 CO 0.19 0.44 0.27 0.08 -0.92 0.00 0.00 175.35 175.41 2dj3 s VAL 79 N -0.33 4.86 -0.17 3.17 1.01 -1.26 -4.90 120.40 122.77 2dj3 s VAL 79 Ca 0.02 -0.89 0.17 0.00 0.00 0.00 0.00 61.98 61.29 2dj3 s VAL 79 Cb -0.12 -3.77 0.42 0.00 0.00 0.00 0.00 36.38 32.91 2dj3 s VAL 79 CO 0.02 -0.34 1.30 -0.62 0.00 0.00 0.00 175.10 175.45 2dj3 n GLU 80 N 5.07 2.22 0.00 2.72 1.02 -1.26 -5.00 120.64 125.41 2dj3 n GLU 80 Ca -0.11 -2.70 0.00 0.00 -0.02 0.00 0.00 57.16 54.33 2dj3 n GLU 80 Cb 0.46 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dj3 n GLY 81 N -0.89 3.54 3.92 0.62 0.00 -1.26 -5.16 105.19 105.96 2dj3 n GLY 81 Ca 0.19 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.49 0.71 1.61 0.40 -1.26 -3.96 117.98 118.97 2dj3 s PHE 82 Ca 0.00 0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 56.53 2dj3 s PHE 82 Cb 0.00 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2dj3 s PHE 82 CO 0.00 0.45 1.10 -1.25 0.70 0.00 0.00 175.22 176.22 2dj3 s PRO 83 N -3.04 2.56 -0.30 0.24 0.04 -1.26 -4.87 135.00 128.36 2dj3 s PRO 83 Ca 0.38 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 2dj3 s PRO 83 Cb -0.12 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.60 2dj3 s PRO 83 CO 0.28 -1.42 0.11 0.99 0.04 0.00 0.00 177.00 176.99 2dj3 s THR 84 N -2.59 0.56 0.08 1.26 2.01 -0.84 -4.98 115.64 111.14 2dj3 s THR 84 Ca 0.64 -1.18 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 2dj3 s THR 84 Cb -0.19 -1.43 -0.07 0.00 0.01 0.00 0.00 72.50 70.82 2dj3 s THR 84 CO 0.48 -0.69 0.55 -0.63 -0.69 0.00 0.00 174.62 173.64 2dj3 s ILE 85 N 1.78 4.78 -0.05 1.82 1.01 -1.26 0.25 121.20 129.53 2dj3 s ILE 85 Ca 0.09 1.12 -0.02 0.00 0.00 0.00 0.00 60.65 61.84 2dj3 s ILE 85 Cb -0.17 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.49 2dj3 s ILE 85 CO -0.29 0.50 0.10 -0.31 0.00 0.00 0.00 174.94 174.94 2dj3 s TYR 86 N -1.17 -0.06 -0.37 3.97 2.02 0.18 -2.77 117.35 119.14 2dj3 s TYR 86 Ca 0.30 0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 57.21 2dj3 s TYR 86 Cb -0.18 -0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.10 2dj3 s TYR 86 CO 0.18 -0.19 0.43 0.12 -1.57 0.00 0.00 175.55 174.53 2dj3 s PHE 87 N 1.75 3.18 -0.61 2.71 2.19 -0.35 -0.74 117.98 126.12 2dj3 s PHE 87 Ca -0.02 -0.09 -0.13 0.00 0.33 0.00 0.00 56.93 57.03 2dj3 s PHE 87 Cb -0.12 -2.83 0.15 0.00 -1.31 0.00 0.00 43.02 38.92 2dj3 s PHE 87 CO -0.04 -0.56 0.53 0.00 1.83 0.00 0.00 175.22 176.98 2dj3 s ALA 88 N 2.17 3.70 -0.03 11.12 0.00 -0.90 -2.75 121.76 135.08 2dj3 s ALA 88 Ca 0.14 -2.81 -0.30 0.00 0.00 0.00 0.00 51.96 48.99 2dj3 s ALA 88 Cb -0.16 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 2dj3 s ALA 88 CO 0.13 -2.07 1.47 -1.25 0.00 0.00 0.00 175.76 174.04 2dj3 s PRO 89 N 1.01 4.24 -0.40 0.00 0.04 -1.26 -2.15 135.00 136.48 2dj3 s PRO 89 Ca 0.09 2.02 -0.33 0.00 0.04 0.00 0.00 61.00 62.82 2dj3 s PRO 89 Cb -0.23 -3.71 -0.11 0.00 0.04 0.00 0.00 34.50 30.50 2dj3 s PRO 89 CO -0.02 -0.68 2.27 -1.13 0.04 0.00 0.00 177.00 177.48 2dj3 n SER 90 N 6.01 2.16 0.00 6.66 3.41 -1.26 -0.54 113.62 130.05 2dj3 n SER 90 Ca 0.15 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2dj3 n SER 90 Cb 0.43 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 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 6.37 2.84 1.03 5.00 0.00 -1.26 -4.84 105.19 114.32 2dj3 n GLY 91 Ca 0.41 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 0.33 3.24 -0.34 1.61 8.00 0.30 -4.69 116.55 125.00 2dj3 n ASP 92 Ca 0.00 -3.36 0.10 0.00 0.71 0.00 0.00 54.79 52.24 2dj3 n ASP 92 Cb 0.00 -0.59 0.30 0.00 -0.02 0.00 0.00 41.12 40.81 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 1.38 0.83 -0.99 -1.24 1.57 -1.45 -1.68 116.57 115.00 2dj3 h LYS 93 Ca 0.12 -0.05 0.37 0.00 -1.87 0.00 0.00 60.65 59.21 2dj3 h LYS 93 Cb 1.57 -0.19 -0.13 0.00 0.08 0.00 0.00 32.23 33.57 2dj3 h LYS 93 CO 0.32 0.55 0.60 1.63 -0.57 0.00 0.00 179.45 181.98 2dj3 n LYS 94 N -4.65 -0.04 -3.60 3.15 4.76 -1.26 -2.70 118.16 113.82 2dj3 n LYS 94 Ca 0.20 1.05 -0.40 0.00 -2.87 0.00 0.00 58.31 56.30 2dj3 n LYS 94 Cb 0.45 -2.00 -0.08 0.00 -1.84 0.00 0.00 35.03 31.57 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 -4.45 5.68 0.42 4.39 0.01 -0.63 -4.89 114.94 115.46 2dj3 s ASN 95 Ca -0.06 -2.45 -0.25 0.00 -0.71 0.00 0.00 52.86 49.39 2dj3 s ASN 95 Cb 0.26 -1.97 -0.08 0.00 0.41 0.00 0.00 41.25 39.87 2dj3 s ASN 95 CO 0.65 -0.53 1.18 -2.16 -1.51 0.00 0.00 177.10 174.73 2dj3 s PRO 96 N 0.54 3.97 -0.36 -0.60 0.04 -1.10 -4.83 135.00 132.66 2dj3 s PRO 96 Ca 0.13 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 2dj3 s PRO 96 Cb -0.20 -2.62 0.08 0.00 0.04 0.00 0.00 34.50 31.80 2dj3 s PRO 96 CO -0.04 -0.40 0.12 0.42 0.04 0.00 0.00 177.00 177.14 2dj3 s ILE 97 N -1.43 3.20 0.18 0.56 1.01 -1.11 -4.95 121.20 118.66 2dj3 s ILE 97 Ca 0.59 -1.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.23 2dj3 s ILE 97 Cb -0.31 -3.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.04 2dj3 s ILE 97 CO 0.39 -0.43 0.82 -0.75 0.00 0.00 0.00 174.94 174.96 2dj3 s LYS 98 N 1.20 4.64 -0.59 2.79 2.20 -1.26 -1.21 119.74 127.51 2dj3 s LYS 98 Ca 0.03 1.24 -0.25 0.00 -0.36 0.00 0.00 55.97 56.63 2dj3 s LYS 98 Cb -0.21 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2dj3 s LYS 98 CO -0.03 0.55 1.01 0.12 -0.36 0.00 0.00 175.35 176.65 2dj3 s PHE 99 N -1.12 2.70 -0.80 4.03 5.36 -1.12 -4.92 117.98 122.12 2dj3 s PHE 99 Ca 0.37 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2dj3 s PHE 99 Cb -0.24 -4.22 0.35 0.00 -0.34 0.00 0.00 43.02 38.57 2dj3 s PHE 99 CO 0.28 -1.50 1.69 0.39 -1.46 0.00 0.00 175.22 174.62 2dj3 n GLU 100 N 7.81 3.69 -3.05 10.12 1.02 -1.26 -4.80 120.64 134.17 2dj3 n GLU 100 Ca 0.02 -4.17 -0.40 0.00 -0.02 0.00 0.00 57.16 52.58 2dj3 n GLU 100 Cb 0.47 -2.32 -0.05 0.00 -0.02 0.00 0.00 31.44 29.52 2dj3 n GLU 100 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dj3 s GLY 101 N -1.86 2.08 0.49 0.62 0.00 -1.26 -4.92 107.32 102.47 2dj3 s GLY 101 Ca 0.47 -0.17 0.42 0.00 0.00 0.00 0.00 44.72 45.44 2dj3 s GLY 101 CO -0.27 1.41 1.54 0.61 0.00 0.00 0.00 173.10 176.39 2dj3 n GLY 102 N 3.68 -0.91 3.25 0.20 0.00 -1.26 -4.22 105.19 105.93 2dj3 n GLY 102 Ca 0.00 0.71 -0.27 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.05 2.53 -0.66 1.61 0.01 -1.26 -5.10 114.94 108.03 2dj3 s ASN 103 Ca -0.06 -0.48 -0.03 0.00 -0.71 0.00 0.00 52.86 51.58 2dj3 s ASN 103 Cb 0.28 -0.23 0.17 0.00 0.41 0.00 0.00 41.25 41.88 2dj3 s ASN 103 CO 0.85 0.20 0.48 -0.13 -1.51 0.00 0.00 177.10 176.98 2dj3 s ARG 104 N -0.96 2.66 0.34 -0.60 0.52 -1.26 -4.76 118.95 114.89 2dj3 s ARG 104 Ca 0.08 -2.60 0.06 0.00 -0.52 0.00 0.00 55.73 52.75 2dj3 s ARG 104 Cb -0.09 -3.77 -0.03 0.00 0.52 0.00 0.00 34.95 31.58 2dj3 s ARG 104 CO 0.01 -1.19 0.22 -0.51 0.02 0.00 0.00 175.30 173.86 2dj3 s ASP 105 N 0.64 1.85 0.20 0.23 1.01 -1.26 -5.00 116.67 114.34 2dj3 s ASP 105 Ca 0.18 -1.70 0.23 0.00 0.71 0.00 0.00 52.55 51.97 2dj3 s ASP 105 Cb -0.19 0.53 0.91 0.00 1.01 0.00 0.00 42.92 45.18 2dj3 s ASP 105 CO -0.04 -1.01 1.71 -0.11 0.21 0.00 0.00 175.17 175.93 2dj3 n LEU 106 N -0.67 0.59 -0.01 1.23 7.94 -1.26 -1.01 117.00 123.81 2dj3 n LEU 106 Ca 0.03 0.62 -0.16 0.00 -1.11 0.00 0.00 56.01 55.39 2dj3 n LEU 106 Cb 0.63 -0.51 -0.14 0.00 0.53 0.00 0.00 43.42 43.94 2dj3 n LEU 106 CO 0.33 -0.41 -0.74 -0.62 -1.11 0.00 0.00 177.39 174.84 2dj3 n GLU 107 N -2.12 0.71 0.10 1.96 1.02 -1.26 -3.54 120.64 117.50 2dj3 n GLU 107 Ca 0.03 0.26 -0.19 0.00 -0.02 0.00 0.00 57.16 57.25 2dj3 n GLU 107 Cb 0.27 -1.73 -0.15 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.04 0.59 0.08 -0.32 3.86 -1.84 -3.20 115.15 114.37 2dj3 h HIS 108 Ca -0.38 -0.43 -0.00 0.00 -1.16 0.00 0.00 60.37 58.39 2dj3 h HIS 108 Cb 2.03 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.48 2dj3 h HIS 108 CO 0.04 1.40 -0.04 -0.07 0.86 0.00 0.00 177.93 180.13 2dj3 h LEU 109 N 0.09 -0.09 -1.12 2.43 3.38 -1.26 -2.76 115.31 115.98 2dj3 h LEU 109 Ca -0.21 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.69 2dj3 h LEU 109 Cb 2.04 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.75 2dj3 h LEU 109 CO 0.20 0.09 0.60 0.77 0.09 0.00 0.00 178.44 180.19 2dj3 h SER 110 N -0.28 0.91 0.47 -0.43 4.64 -1.70 0.25 113.55 117.41 2dj3 h SER 110 Ca -0.01 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dj3 h SER 110 Cb 0.23 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2dj3 h SER 110 CO 0.02 0.56 0.00 0.29 -0.87 0.00 0.00 176.83 176.83 2dj3 n LYS 111 N -4.52 0.08 -0.07 4.77 5.02 -1.10 -2.15 118.16 120.19 2dj3 n LYS 111 Ca 0.15 0.37 -0.16 0.00 -2.02 0.00 0.00 58.31 56.65 2dj3 n LYS 111 Cb 0.24 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 2dj3 n LYS 111 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2dj3 n PHE 112 N -1.81 0.54 0.26 2.13 -0.00 0.78 -4.03 117.46 115.33 2dj3 n PHE 112 Ca 0.02 0.14 -0.11 0.00 -0.00 0.00 0.00 57.45 57.50 2dj3 n PHE 112 Cb 0.16 -1.08 -0.05 0.00 -0.00 0.00 0.00 39.48 38.51 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 0.02 0.00 -0.56 -2.13 2.04 -0.99 -2.99 117.51 112.91 2dj3 h ILE 113 Ca -0.48 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 64.99 2dj3 h ILE 113 Cb 2.02 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.00 2dj3 h ILE 113 CO 0.01 0.00 -0.46 0.44 0.00 0.00 0.00 178.15 178.14 2dj3 h ASP 114 N -1.18 -1.59 -0.50 1.72 5.19 -1.68 1.49 116.42 119.87 2dj3 h ASP 114 Ca -0.07 0.25 0.06 0.00 -0.62 0.00 0.00 57.03 56.65 2dj3 h ASP 114 Cb 0.54 0.71 -0.09 0.00 0.18 0.00 0.00 39.33 40.67 2dj3 h ASP 114 CO 0.12 -0.34 -0.53 -0.33 -3.12 0.00 0.00 179.24 175.03 2dj3 h GLU 115 N -0.25 -0.31 0.00 3.56 4.39 -1.70 0.48 114.58 120.75 2dj3 h GLU 115 Ca 0.16 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2dj3 h GLU 115 Cb 0.56 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2dj3 h GLU 115 CO -0.68 -0.21 0.00 0.45 -1.16 0.00 0.00 179.01 177.41 2dj3 h HIS 116 N -0.32 0.00 -2.79 4.33 3.86 -1.14 -3.44 115.15 115.65 2dj3 h HIS 116 Ca 0.11 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.11 2dj3 h HIS 116 Cb 0.57 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.13 2dj3 h HIS 116 CO -0.75 0.00 0.17 0.00 0.86 0.00 0.00 177.93 178.21 2dj3 n ALA 117 N -1.93 -1.00 -0.01 2.45 0.00 0.50 -4.90 120.51 115.62 2dj3 n ALA 117 Ca 0.02 -0.85 -0.04 0.00 0.00 0.00 0.00 53.44 52.57 2dj3 n ALA 117 Cb 0.28 -0.05 0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -3.10 1.81 -2.30 0.00 -1.04 -1.26 -4.79 114.28 103.60 2dj3 n THR 118 Ca 0.08 -0.59 -0.04 0.00 -2.04 0.00 0.00 64.05 61.47 2dj3 n THR 118 Cb 0.29 -1.20 -0.01 0.00 -1.82 0.00 0.00 70.33 67.59 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 0.72 -2.42 -2.48 -2.82 5.02 -1.24 -4.77 118.16 110.16 2dj3 n LYS 119 Ca 0.09 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 2dj3 n LYS 119 Cb 0.60 -3.63 -0.02 0.00 -0.02 0.00 0.00 35.03 31.95 2dj3 n LYS 119 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2dj3 s ARG 120 N -4.22 3.42 -0.52 1.97 1.70 -1.26 -4.98 118.95 115.05 2dj3 s ARG 120 Ca 0.07 0.37 -0.22 0.00 -0.47 0.00 0.00 55.73 55.48 2dj3 s ARG 120 Cb -0.04 -4.07 0.04 0.00 -0.57 0.00 0.00 34.95 30.32 2dj3 s ARG 120 CO 0.08 -1.80 0.82 -1.12 -1.08 0.00 0.00 175.30 172.20 2dj3 s SER 121 N 3.68 6.31 0.06 -2.89 0.01 -1.26 -4.93 113.70 114.68 2dj3 s SER 121 Ca 0.48 -0.51 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 2dj3 s SER 121 Cb -0.09 -2.38 -0.16 0.00 0.21 0.00 0.00 66.02 63.59 2dj3 s SER 121 CO 0.25 -1.08 1.61 -0.09 0.41 0.00 0.00 173.24 174.35 2dj3 h ARG 122 N 9.17 -0.14 -3.13 12.44 2.43 -1.97 -3.46 114.38 129.72 2dj3 h ARG 122 Ca -0.26 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.81 2dj3 h ARG 122 Cb 1.08 0.03 -0.19 0.00 -0.42 0.00 0.00 29.97 30.47 2dj3 h ARG 122 CO 1.03 -0.00 -0.27 -0.08 -1.51 0.00 0.00 179.97 179.14 2dj3 s THR 123 N -5.75 0.07 -0.71 0.20 -1.32 -1.26 -5.10 115.64 101.76 2dj3 s THR 123 Ca -0.14 -0.55 -0.27 0.00 -1.21 0.00 0.00 61.69 59.52 2dj3 s THR 123 Cb 0.05 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 70.32 2dj3 s THR 123 CO 0.65 -0.30 1.50 -1.59 -2.21 0.00 0.00 174.62 172.67 2dj3 s LYS 124 N -1.76 3.00 -0.25 7.08 -2.85 -1.26 -4.83 119.74 118.87 2dj3 s LYS 124 Ca -0.11 0.02 0.06 0.00 -1.00 0.00 0.00 55.97 54.94 2dj3 s LYS 124 Cb -0.04 -4.32 0.50 0.00 -2.06 0.00 0.00 37.83 31.92 2dj3 s LYS 124 CO 0.02 -2.38 1.52 -0.85 0.10 0.00 0.00 175.35 173.75 2dj3 n GLU 125 N 9.28 2.62 -4.60 1.78 0.00 -1.26 -4.89 120.64 123.57 2dj3 n GLU 125 Ca 0.11 -2.11 -0.32 0.00 0.00 0.00 0.00 57.16 54.84 2dj3 n GLU 125 Cb 0.50 -1.90 -0.12 0.00 0.00 0.00 0.00 31.44 29.92 2dj3 n GLU 125 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2dj3 s GLU 126 N -2.24 2.40 -0.46 3.44 2.12 -1.26 -5.09 118.70 117.61 2dj3 s GLU 126 Ca 0.38 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.96 2dj3 s GLU 126 Cb 0.31 -2.39 0.12 0.00 0.26 0.00 0.00 34.13 32.44 2dj3 s GLU 126 CO 0.09 0.59 0.20 -1.17 -0.54 0.00 0.00 175.26 174.43 2dj3 s LEU 127 N -1.28 4.06 -1.13 2.70 2.96 -1.26 -5.03 118.68 119.70 2dj3 s LEU 127 Ca 0.15 -2.70 -0.08 0.00 -0.22 0.00 0.00 54.13 51.28 2dj3 s LEU 127 Cb -0.11 -1.51 0.27 0.00 0.50 0.00 0.00 46.19 45.34 2dj3 s LEU 127 CO 0.05 -0.28 1.30 -1.54 -1.32 0.00 0.00 176.35 174.56 2dj3 n SER 128 N 3.52 5.68 -2.76 3.68 3.41 -1.26 -4.83 113.62 121.05 2dj3 n SER 128 Ca 0.05 -3.13 -0.25 0.00 -0.26 0.00 0.00 58.87 55.28 2dj3 n SER 128 Cb 0.35 -1.39 0.02 0.00 -0.26 0.00 0.00 64.21 62.94 2dj3 n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dj3 n GLY 129 N 2.55 0.12 0.21 5.00 0.00 -1.26 -4.84 105.19 106.97 2dj3 n GLY 129 Ca 0.27 0.73 -0.05 0.00 0.00 0.00 0.00 46.02 46.97 2dj3 n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj3 h PRO 130 N 1.69 0.39 -1.70 1.61 0.13 -1.99 -3.18 132.00 128.94 2dj3 h PRO 130 Ca -0.36 -0.20 -0.70 0.00 -0.87 0.00 0.00 66.00 63.87 2dj3 h PRO 130 Cb 0.98 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 31.86 2dj3 h PRO 130 CO 0.14 0.76 0.91 -1.13 -0.23 0.00 0.00 178.00 178.46 2dj3 n SER 131 N -4.00 7.43 -3.95 1.44 3.41 -1.26 -4.91 113.62 111.77 2dj3 n SER 131 Ca -0.02 -3.72 -0.20 0.00 -0.26 0.00 0.00 58.87 54.67 2dj3 n SER 131 Cb 0.52 -1.06 -0.16 0.00 -0.26 0.00 0.00 64.21 63.25 2dj3 n SER 131 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dj3 s SER 132 N -1.08 1.09 0.00 4.04 0.15 -1.20 -5.28 113.70 111.42 2dj3 s SER 132 Ca 0.55 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2dj3 s SER 132 Cb 0.44 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2dj3 s SER 132 CO -0.27 0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.80