#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 1.93 -0.04 1.61 2.88 -1.26 -4.93 113.62 113.81 2dj3 n SER 2 Ca 0.00 1.19 -0.10 0.00 -1.33 0.00 0.00 58.87 58.63 2dj3 n SER 2 Cb 0.00 -1.37 -0.09 0.00 -0.75 0.00 0.00 64.21 62.01 2dj3 n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dj3 h SER 3 N 2.41 -0.03 -0.80 -3.46 0.02 -2.04 -3.50 113.55 106.16 2dj3 h SER 3 Ca -0.42 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 59.89 2dj3 h SER 3 Cb 1.32 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2dj3 h SER 3 CO 0.63 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.69 2dj3 n GLY 4 N 1.45 -0.60 0.17 -3.77 0.00 -1.26 -5.04 105.19 96.15 2dj3 n GLY 4 Ca -0.07 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 2dj3 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dj3 h SER 5 N 0.00 -0.29 -3.13 1.61 0.87 -2.02 -3.46 113.55 107.13 2dj3 h SER 5 Ca 0.00 -0.12 -0.65 0.00 -1.23 0.00 0.00 61.79 59.80 2dj3 h SER 5 Cb 0.00 0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 61.94 2dj3 h SER 5 CO 0.00 0.20 -0.58 -0.44 -0.53 0.00 0.00 176.83 175.48 2dj3 s SER 6 N -5.22 5.65 -0.02 6.23 0.01 -1.26 -4.91 113.70 114.18 2dj3 s SER 6 Ca -0.08 0.09 -0.02 0.00 1.31 0.00 0.00 55.95 57.25 2dj3 s SER 6 Cb 0.00 -1.59 0.01 0.00 0.21 0.00 0.00 66.02 64.65 2dj3 s SER 6 CO 0.27 0.22 0.03 0.61 0.41 0.00 0.00 173.24 174.79 2dj3 n GLY 7 N 0.83 -3.64 0.19 3.44 0.00 -1.26 -4.92 105.19 99.82 2dj3 n GLY 7 Ca -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 1.18 0.24 -6.02 1.61 0.13 -1.91 -3.43 132.00 123.81 2dj3 h PRO 8 Ca -0.07 -0.13 -0.58 0.00 -0.87 0.00 0.00 66.00 64.36 2dj3 h PRO 8 Cb 0.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.23 2dj3 h PRO 8 CO 0.00 0.66 0.50 0.08 -0.23 0.00 0.00 178.00 179.01 2dj3 s VAL 9 N -4.05 4.82 0.27 1.56 1.01 -1.26 -4.66 120.40 118.09 2dj3 s VAL 9 Ca -0.04 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 2dj3 s VAL 9 Cb 0.13 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 2dj3 s VAL 9 CO 0.78 -0.02 0.97 -0.75 0.00 0.00 0.00 175.10 176.08 2dj3 s LYS 10 N 2.36 4.74 -0.10 2.72 2.20 -1.14 -4.83 119.74 125.69 2dj3 s LYS 10 Ca 0.41 1.51 -0.12 0.00 -0.36 0.00 0.00 55.97 57.41 2dj3 s LYS 10 Cb -0.17 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 2dj3 s LYS 10 CO 0.12 0.39 0.29 0.14 -0.36 0.00 0.00 175.35 175.93 2dj3 s VAL 11 N -1.28 5.27 -0.04 4.02 -7.23 -1.26 0.12 120.40 120.00 2dj3 s VAL 11 Ca 0.44 0.55 0.06 0.00 -1.81 0.00 0.00 61.98 61.21 2dj3 s VAL 11 Cb -0.25 -3.59 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 2dj3 s VAL 11 CO 0.32 0.52 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.72 2dj3 s VAL 12 N -0.45 1.73 0.43 1.32 1.01 0.86 -4.89 120.40 120.41 2dj3 s VAL 12 Ca 0.18 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2dj3 s VAL 12 Cb -0.14 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.82 2dj3 s VAL 12 CO 0.07 0.49 0.37 1.33 0.00 0.00 0.00 175.10 177.36 2dj3 n VAL 13 N 2.93 0.00 0.51 2.92 0.24 -1.26 -4.28 118.33 119.38 2dj3 n VAL 13 Ca -0.17 -1.66 0.12 0.00 -2.04 0.00 0.00 64.34 60.59 2dj3 n VAL 13 Cb 0.52 -0.21 0.45 0.00 -1.47 0.00 0.00 33.84 33.13 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 -0.18 -1.35 0.06 7.63 0.00 -1.26 -0.82 105.19 109.27 2dj3 n GLY 14 Ca 0.01 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.07 0.42 -0.64 1.61 2.85 -1.26 -4.16 118.16 114.90 2dj3 n LYS 15 Ca 0.03 0.04 0.05 0.00 -1.05 0.00 0.00 58.31 57.39 2dj3 n LYS 15 Cb 0.27 -1.68 0.09 0.00 -0.65 0.00 0.00 35.03 33.06 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 -2.24 1.01 -0.00 0.58 -2.24 -1.03 -4.81 114.28 105.56 2dj3 n THR 16 Ca 0.01 -1.59 -0.18 0.00 -2.27 0.00 0.00 64.05 60.02 2dj3 n THR 16 Cb 0.48 0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.46 0.34 0.00 4.78 3.04 -1.14 -2.09 116.94 122.33 2dj3 h PHE 17 Ca -0.05 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 61.65 2dj3 h PHE 17 Cb 1.32 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.81 2dj3 h PHE 17 CO 0.24 1.26 0.00 -0.25 -2.02 0.00 0.00 178.31 177.54 2dj3 n ASP 18 N -4.26 0.00 -0.11 0.41 9.92 -1.26 -1.06 116.55 120.19 2dj3 n ASP 18 Ca -0.15 0.39 -0.19 0.00 -0.53 0.00 0.00 54.79 54.31 2dj3 n ASP 18 Cb 0.72 -0.45 -0.12 0.00 -0.64 0.00 0.00 41.12 40.63 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 -1.45 1.34 -0.01 2.24 0.00 -1.24 -4.17 120.51 117.22 2dj3 n ALA 19 Ca 0.06 -1.02 -0.01 0.00 0.00 0.00 0.00 53.44 52.47 2dj3 n ALA 19 Cb 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -3.33 0.12 -0.02 0.00 5.41 -0.79 -3.64 119.36 117.12 2dj3 n ILE 20 Ca -0.44 0.47 0.23 0.00 1.00 0.00 0.00 62.75 64.01 2dj3 n ILE 20 Cb 1.00 -1.57 0.72 0.00 -0.71 0.00 0.00 39.64 39.08 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 -0.08 0.53 -0.81 1.39 2.07 -1.26 0.10 116.25 118.20 2dj3 h VAL 21 Ca 0.00 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.96 2dj3 h VAL 21 Cb 0.07 0.64 -0.34 0.00 -1.52 0.00 0.00 31.29 30.14 2dj3 h VAL 21 CO 0.00 0.00 -0.07 0.23 0.02 0.00 0.00 177.57 177.75 2dj3 n MET 22 N -4.07 3.05 -2.94 1.57 2.81 -0.41 -4.62 117.12 112.50 2dj3 n MET 22 Ca 0.11 -3.71 -0.43 0.00 -1.81 0.00 0.00 57.70 51.86 2dj3 n MET 22 Cb 0.72 -2.23 -0.05 0.00 -0.71 0.00 0.00 33.22 30.95 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 -2.77 6.39 0.00 7.83 -1.08 0.35 -4.66 116.67 122.72 2dj3 s ASP 23 Ca 0.56 -0.21 0.09 0.00 -0.52 0.00 0.00 52.55 52.47 2dj3 s ASP 23 Cb 0.45 -2.39 0.55 0.00 -1.46 0.00 0.00 42.92 40.06 2dj3 s ASP 23 CO 0.02 -1.00 0.99 -0.81 0.52 0.00 0.00 175.17 174.89 2dj3 n PRO 24 N 6.88 0.49 0.06 4.34 -0.04 -1.26 -2.18 135.00 143.28 2dj3 n PRO 24 Ca 0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2dj3 n PRO 24 Cb 0.48 -1.29 0.11 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.79 0.33 -3.61 0.54 5.02 -1.26 -4.58 118.16 113.81 2dj3 n LYS 25 Ca 0.07 0.07 -0.07 0.00 -2.02 0.00 0.00 58.31 56.36 2dj3 n LYS 25 Cb 0.03 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.32 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 -3.20 0.35 -0.10 1.97 -2.85 -0.93 -4.93 119.74 110.06 2dj3 s LYS 26 Ca 0.05 0.09 -0.30 0.00 -1.00 0.00 0.00 55.97 54.81 2dj3 s LYS 26 Cb 0.13 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 36.03 2dj3 s LYS 26 CO 0.75 -0.11 1.40 -0.51 0.10 0.00 0.00 175.35 176.98 2dj3 s ASP 27 N -1.06 6.85 -0.16 0.03 1.01 -1.07 -4.25 116.67 118.03 2dj3 s ASP 27 Ca 0.03 1.93 -0.02 0.00 0.71 0.00 0.00 52.55 55.20 2dj3 s ASP 27 Cb -0.01 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2dj3 s ASP 27 CO -0.03 -0.79 -0.07 -0.69 0.21 0.00 0.00 175.17 173.80 2dj3 s VAL 28 N 3.38 3.50 -0.52 -1.27 1.01 -0.91 -3.42 120.40 122.16 2dj3 s VAL 28 Ca 0.62 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 2dj3 s VAL 28 Cb -0.27 -2.52 0.08 0.00 0.00 0.00 0.00 36.38 33.67 2dj3 s VAL 28 CO 0.21 0.49 0.56 -0.22 0.00 0.00 0.00 175.10 176.15 2dj3 s LEU 29 N 0.56 5.41 -0.05 3.92 2.96 -1.20 -1.66 118.68 128.62 2dj3 s LEU 29 Ca -0.05 -1.27 -0.17 0.00 -0.22 0.00 0.00 54.13 52.42 2dj3 s LEU 29 Cb -0.15 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 2dj3 s LEU 29 CO 0.03 -0.87 0.48 -0.51 -1.32 0.00 0.00 176.35 174.16 2dj3 s ILE 30 N 2.23 5.07 -0.25 6.68 1.10 0.91 -1.92 121.20 135.02 2dj3 s ILE 30 Ca 0.09 0.97 0.01 0.00 -0.51 0.00 0.00 60.65 61.22 2dj3 s ILE 30 Cb -0.23 -3.80 0.06 0.00 0.15 0.00 0.00 42.46 38.64 2dj3 s ILE 30 CO 0.08 0.43 -0.06 -0.70 -2.11 0.00 0.00 174.94 172.59 2dj3 s GLU 31 N -0.13 1.71 -0.50 3.50 2.12 -1.06 0.93 118.70 125.27 2dj3 s GLU 31 Ca 0.26 -1.10 -0.28 0.00 0.36 0.00 0.00 54.97 54.21 2dj3 s GLU 31 Cb -0.16 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.58 2dj3 s GLU 31 CO 0.13 -0.62 1.41 -0.06 -0.54 0.00 0.00 175.26 175.57 2dj3 s PHE 32 N 1.32 2.34 0.15 5.30 0.08 0.42 -2.29 117.98 125.31 2dj3 s PHE 32 Ca -0.05 0.56 0.06 0.00 0.12 0.00 0.00 56.93 57.62 2dj3 s PHE 32 Cb -0.19 -4.36 -0.04 0.00 -0.57 0.00 0.00 43.02 37.86 2dj3 s PHE 32 CO -0.06 -1.95 0.03 1.52 -0.10 0.00 0.00 175.22 174.66 2dj3 s TYR 33 N 5.79 2.94 -0.16 0.36 -0.85 -0.70 -2.13 117.35 122.61 2dj3 s TYR 33 Ca 0.56 -0.08 0.01 0.00 -0.52 0.00 0.00 57.07 57.03 2dj3 s TYR 33 Cb -0.12 -1.45 0.00 0.00 0.38 0.00 0.00 41.96 40.78 2dj3 s TYR 33 CO 0.28 0.51 -0.17 0.00 -1.52 0.00 0.00 175.55 174.65 2dj3 s ALA 34 N -1.62 2.43 -1.90 9.51 0.00 -1.26 -4.17 121.76 124.75 2dj3 s ALA 34 Ca 0.28 -1.09 0.15 0.00 0.00 0.00 0.00 51.96 51.30 2dj3 s ALA 34 Cb -0.10 -1.19 0.90 0.00 0.00 0.00 0.00 23.12 22.73 2dj3 s ALA 34 CO 0.19 -0.11 1.35 -0.35 0.00 0.00 0.00 175.76 176.85 2dj3 n PRO 35 N 4.20 0.44 0.00 0.00 -0.04 -1.26 -1.81 135.00 136.53 2dj3 n PRO 35 Ca -0.20 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.31 2dj3 n PRO 35 Cb 0.51 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.05 0.00 -3.96 0.54 4.27 -1.26 -5.00 117.44 110.98 2dj3 n TRP 36 Ca 0.11 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.37 2dj3 n TRP 36 Cb 0.06 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.93 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 6.18 0.66 1.70 0.00 0.00 -1.94 -3.12 103.07 106.55 2dj3 h GLY 38 Ca -0.43 -1.21 0.00 0.00 0.00 0.00 0.00 47.33 45.69 2dj3 h GLY 38 CO 0.68 1.07 0.10 1.42 0.00 0.00 0.00 176.54 179.80 2dj3 n HIS 39 N -3.80 0.35 -0.11 5.60 8.25 -1.26 -1.66 115.22 122.60 2dj3 n HIS 39 Ca -0.10 0.18 -0.24 0.00 -0.26 0.00 0.00 57.72 57.30 2dj3 n HIS 39 Cb 0.89 -0.72 -0.11 0.00 1.12 0.00 0.00 29.99 31.17 2dj3 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dj3 h LYS 41 N -0.67 0.00 0.01 0.00 2.10 -1.26 0.61 116.57 117.35 2dj3 h LYS 41 Ca -0.55 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 57.91 2dj3 h LYS 41 Cb 1.64 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.95 2dj3 h LYS 41 CO -0.24 0.00 -0.87 -0.56 -2.00 0.00 0.00 179.45 175.77 2dj3 h GLN 42 N 0.00 0.07 0.00 0.07 3.07 -1.69 -3.16 115.11 113.48 2dj3 h GLN 42 Ca 0.36 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 59.01 2dj3 h GLN 42 Cb 1.59 0.03 0.00 0.00 0.08 0.00 0.00 27.48 29.18 2dj3 h GLN 42 CO -0.00 0.90 -0.53 -0.11 0.09 0.00 0.00 178.83 179.17 2dj3 n LEU 43 N -3.57 0.68 -0.32 0.06 7.94 0.19 -4.22 117.00 117.75 2dj3 n LEU 43 Ca -0.02 0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.04 2dj3 n LEU 43 Cb 0.82 -0.21 -0.08 0.00 0.53 0.00 0.00 43.42 44.48 2dj3 n LEU 43 CO 0.46 -0.05 0.50 -0.33 -1.11 0.00 0.00 177.39 176.86 2dj3 h GLU 44 N 0.00 -0.12 -0.32 1.96 4.39 -0.74 0.33 114.58 120.08 2dj3 h GLU 44 Ca 0.00 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2dj3 h GLU 44 Cb 0.72 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2dj3 h GLU 44 CO 0.00 -0.08 -0.32 -1.00 -1.16 0.00 0.00 179.01 176.45 2dj3 h PRO 45 N -0.12 0.78 -0.97 2.33 0.13 -1.78 -2.81 132.00 129.56 2dj3 h PRO 45 Ca 0.16 -0.41 0.12 0.00 -0.87 0.00 0.00 66.00 64.99 2dj3 h PRO 45 Cb 0.49 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.56 2dj3 h PRO 45 CO -0.83 1.04 0.61 0.82 -0.23 0.00 0.00 178.00 179.41 2dj3 h ILE 46 N 0.55 0.92 -0.07 -3.56 2.04 -1.43 -0.74 117.51 115.23 2dj3 h ILE 46 Ca 0.05 -0.32 -0.17 0.00 1.00 0.00 0.00 64.86 65.42 2dj3 h ILE 46 Cb 0.90 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2dj3 h ILE 46 CO 0.08 0.17 -0.69 0.22 0.00 0.00 0.00 178.15 177.93 2dj3 h TYR 47 N 0.94 0.42 -0.17 1.37 3.20 -0.35 -3.07 116.97 119.30 2dj3 h TYR 47 Ca 0.47 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 62.21 2dj3 h TYR 47 Cb 0.50 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 2dj3 h TYR 47 CO -0.00 0.90 -0.19 1.15 -1.64 0.00 0.00 178.16 178.38 2dj3 h THR 48 N 0.22 0.51 -0.80 1.81 2.02 -0.87 -1.91 112.91 113.89 2dj3 h THR 48 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2dj3 h THR 48 Cb 1.24 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2dj3 h THR 48 CO 0.11 0.00 0.32 0.28 0.37 0.00 0.00 175.52 176.60 2dj3 h SER 49 N -0.22 1.11 -0.25 4.18 0.02 -1.56 -0.81 113.55 116.02 2dj3 h SER 49 Ca 0.11 -0.17 0.07 0.00 -0.84 0.00 0.00 61.79 60.96 2dj3 h SER 49 Cb 0.38 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2dj3 h SER 49 CO -0.30 0.98 0.27 0.25 -1.14 0.00 0.00 176.83 176.90 2dj3 h LEU 50 N 1.17 0.00 0.00 5.07 5.85 -1.27 0.87 115.31 127.00 2dj3 h LEU 50 Ca 0.27 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 2dj3 h LEU 50 Cb 0.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2dj3 h LEU 50 CO -0.02 0.00 -0.87 0.61 -0.34 0.00 0.00 178.44 177.82 2dj3 n GLY 51 N -1.43 -0.75 0.34 3.75 0.00 -0.77 -3.13 105.19 103.20 2dj3 n GLY 51 Ca 0.03 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 0.12 1.61 2.10 -1.10 0.38 116.57 118.68 2dj3 h LYS 52 Ca -0.06 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.24 2dj3 h LYS 52 Cb 0.82 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 2dj3 h LYS 52 CO -0.04 0.00 -1.91 1.57 -2.00 0.00 0.00 179.45 177.08 2dj3 h LYS 53 N 0.00 0.25 0.00 0.07 2.10 -1.01 -3.33 116.57 114.65 2dj3 h LYS 53 Ca 0.03 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2dj3 h LYS 53 Cb 0.59 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2dj3 h LYS 53 CO -0.00 1.13 0.00 0.66 -2.00 0.00 0.00 179.45 179.24 2dj3 n TYR 54 N -3.44 0.00 0.23 0.07 4.02 -0.03 -3.60 117.16 114.41 2dj3 n TYR 54 Ca -0.28 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 57.79 2dj3 n TYR 54 Cb 1.05 -0.03 0.86 0.00 -0.02 0.00 0.00 39.34 41.20 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 -1.10 -0.72 1.79 -1.24 -0.84 116.57 114.46 2dj3 h LYS 55 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 2dj3 h LYS 55 Cb 0.03 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.57 2dj3 h LYS 55 CO 0.00 0.00 0.25 0.41 -1.08 0.00 0.00 179.45 179.03 2dj3 n GLY 56 N -1.34 3.03 3.91 3.86 0.00 -1.24 -4.88 105.19 108.53 2dj3 n GLY 56 Ca 0.01 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.22 2.37 -0.25 1.61 -1.52 -0.32 -5.11 119.66 115.22 2dj3 s GLN 57 Ca 0.21 -1.76 -0.06 0.00 -1.95 0.00 0.00 55.36 51.80 2dj3 s GLN 57 Cb 0.17 -2.30 -0.01 0.00 -0.22 0.00 0.00 33.01 30.65 2dj3 s GLN 57 CO 0.03 -0.48 0.03 -1.59 -0.25 0.00 0.00 175.29 173.03 2dj3 s LYS 58 N -4.28 3.41 -1.19 2.91 0.00 -1.26 -4.62 119.74 114.70 2dj3 s LYS 58 Ca 0.44 -0.63 -0.04 0.00 0.00 0.00 0.00 55.97 55.74 2dj3 s LYS 58 Cb -0.03 -3.22 -0.02 0.00 0.00 0.00 0.00 37.83 34.56 2dj3 s LYS 58 CO 0.27 -0.26 0.84 -0.25 0.00 0.00 0.00 175.35 175.95 2dj3 n ASP 59 N 4.86 -3.32 -3.56 0.03 8.00 -1.26 -4.94 116.55 116.37 2dj3 n ASP 59 Ca -0.16 -0.77 -0.14 0.00 0.71 0.00 0.00 54.79 54.43 2dj3 n ASP 59 Cb 0.50 -4.52 -0.12 0.00 -0.02 0.00 0.00 41.12 36.96 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 -6.25 -0.32 -0.22 0.64 2.96 -1.26 -2.59 118.68 111.64 2dj3 s LEU 60 Ca 0.18 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.39 2dj3 s LEU 60 Cb -0.04 0.71 0.06 0.00 0.50 0.00 0.00 46.19 47.42 2dj3 s LEU 60 CO 0.78 -0.28 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.82 2dj3 s VAL 61 N 2.42 1.24 -0.62 1.68 1.01 -1.22 -4.84 120.40 120.07 2dj3 s VAL 61 Ca 0.05 -1.03 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 2dj3 s VAL 61 Cb -0.14 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.69 2dj3 s VAL 61 CO -0.11 -0.13 1.36 -0.63 0.00 0.00 0.00 175.10 175.59 2dj3 s ILE 62 N 1.53 3.78 0.34 2.22 1.01 -1.26 -3.27 121.20 125.55 2dj3 s ILE 62 Ca -0.04 0.61 0.08 0.00 0.00 0.00 0.00 60.65 61.30 2dj3 s ILE 62 Cb -0.18 -4.60 -0.04 0.00 0.01 0.00 0.00 42.46 37.64 2dj3 s ILE 62 CO -0.07 -1.39 0.11 0.00 0.00 0.00 0.00 174.94 173.60 2dj3 s ALA 63 N 5.97 3.43 0.08 9.38 0.00 -0.81 -2.88 121.76 136.93 2dj3 s ALA 63 Ca 0.46 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2dj3 s ALA 63 Cb -0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2dj3 s ALA 63 CO 0.22 0.04 -0.06 -1.59 0.00 0.00 0.00 175.76 174.37 2dj3 s LYS 64 N -3.81 0.73 0.05 0.00 -2.85 0.12 -2.56 119.74 111.42 2dj3 s LYS 64 Ca 0.37 -1.19 -0.08 0.00 -1.00 0.00 0.00 55.97 54.06 2dj3 s LYS 64 Cb -0.02 -0.16 -0.00 0.00 -2.06 0.00 0.00 37.83 35.59 2dj3 s LYS 64 CO 0.22 -0.02 0.17 1.41 0.10 0.00 0.00 175.35 177.23 2dj3 s MET 65 N -3.35 0.72 -0.91 1.78 1.75 -0.97 -0.10 119.30 118.22 2dj3 s MET 65 Ca 0.06 -0.76 -0.11 0.00 -1.25 0.00 0.00 55.69 53.64 2dj3 s MET 65 Cb 0.02 0.29 0.24 0.00 2.84 0.00 0.00 34.83 38.22 2dj3 s MET 65 CO -0.04 -0.21 0.86 -0.51 -0.65 0.00 0.00 175.02 174.47 2dj3 s ASP 66 N -2.33 6.81 0.46 1.11 1.11 -1.26 -1.72 116.67 120.84 2dj3 s ASP 66 Ca -0.02 -3.07 0.25 0.00 0.18 0.00 0.00 52.55 49.89 2dj3 s ASP 66 Cb 0.01 -2.17 1.36 0.00 1.07 0.00 0.00 42.92 43.19 2dj3 s ASP 66 CO -0.06 -0.44 1.73 0.00 1.18 0.00 0.00 175.17 177.58 2dj3 h ALA 67 N 7.25 1.14 0.00 5.23 0.00 -1.77 0.18 119.26 131.28 2dj3 h ALA 67 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2dj3 h ALA 67 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2dj3 h ALA 67 CO 0.84 -0.14 -0.25 1.79 0.00 0.00 0.00 179.25 181.50 2dj3 h THR 68 N 0.00 0.69 0.00 0.00 1.35 -1.90 -3.33 112.91 109.71 2dj3 h THR 68 Ca 0.00 -1.09 -0.18 0.00 -0.55 0.00 0.00 66.41 64.59 2dj3 h THR 68 Cb 0.34 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.42 2dj3 h THR 68 CO 0.00 0.24 -1.66 0.00 -0.25 0.00 0.00 175.52 173.86 2dj3 n ALA 69 N -2.27 1.92 -2.47 6.62 0.00 0.45 -5.00 120.51 119.76 2dj3 n ALA 69 Ca -0.01 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 2dj3 n ALA 69 Cb 0.40 0.28 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 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 -5.45 7.14 -0.38 0.00 0.01 -0.16 -5.03 114.94 111.07 2dj3 s ASN 70 Ca -0.16 1.36 -0.23 0.00 -0.71 0.00 0.00 52.86 53.12 2dj3 s ASN 70 Cb 0.05 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.28 2dj3 s ASN 70 CO 0.24 -0.00 0.80 -1.81 -1.51 0.00 0.00 177.10 174.83 2dj3 s ASP 71 N 0.09 6.53 -0.93 -1.22 1.01 -1.26 -4.43 116.67 116.48 2dj3 s ASP 71 Ca 0.38 0.28 -0.24 0.00 0.71 0.00 0.00 52.55 53.68 2dj3 s ASP 71 Cb -0.20 -2.40 0.01 0.00 1.01 0.00 0.00 42.92 41.34 2dj3 s ASP 71 CO 0.21 -0.79 1.62 -0.63 0.21 0.00 0.00 175.17 175.80 2dj3 s ILE 72 N 3.20 3.71 0.56 0.77 1.01 -1.26 -4.80 121.20 124.38 2dj3 s ILE 72 Ca 0.32 -0.45 0.41 0.00 0.00 0.00 0.00 60.65 60.93 2dj3 s ILE 72 Cb -0.13 -4.62 0.42 0.00 0.01 0.00 0.00 42.46 38.14 2dj3 s ILE 72 CO 0.18 -1.54 2.29 0.71 0.00 0.00 0.00 174.94 176.59 2dj3 h THR 73 N 6.88 0.08 -3.54 2.92 1.35 -1.94 -3.43 112.91 115.23 2dj3 h THR 73 Ca 0.09 -0.11 -0.53 0.00 -0.55 0.00 0.00 66.41 65.31 2dj3 h THR 73 Cb 1.02 1.10 0.08 0.00 -1.73 0.00 0.00 68.15 68.62 2dj3 h THR 73 CO 1.33 0.01 0.80 0.20 -0.25 0.00 0.00 175.52 177.61 2dj3 s ASN 74 N -5.38 6.47 0.00 5.36 -0.87 -1.26 -4.91 114.94 114.35 2dj3 s ASN 74 Ca -0.04 2.88 0.25 0.00 -1.57 0.00 0.00 52.86 54.38 2dj3 s ASN 74 Cb 0.13 -2.64 0.43 0.00 -0.02 0.00 0.00 41.25 39.14 2dj3 s ASN 74 CO 0.45 -0.81 1.36 -0.67 -2.57 0.00 0.00 177.10 174.86 2dj3 n ASP 75 N 1.66 0.71 -0.00 -1.22 2.03 -1.26 -3.95 116.55 114.52 2dj3 n ASP 75 Ca 0.05 -0.50 -0.06 0.00 0.52 0.00 0.00 54.79 54.80 2dj3 n ASP 75 Cb 0.39 0.34 -0.12 0.00 -0.72 0.00 0.00 41.12 41.01 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dj3 n GLN 76 N -1.31 0.63 -3.63 -0.67 1.13 -1.26 -4.77 117.38 107.50 2dj3 n GLN 76 Ca 0.07 0.28 -0.40 0.00 -1.94 0.00 0.00 57.00 55.01 2dj3 n GLN 76 Cb 0.34 -1.80 -0.11 0.00 0.11 0.00 0.00 30.24 28.77 2dj3 n GLN 76 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2dj3 s TYR 77 N -2.70 3.24 -0.09 1.08 1.51 -1.25 -4.77 117.35 114.37 2dj3 s TYR 77 Ca -0.04 -0.98 0.02 0.00 -1.01 0.00 0.00 57.07 55.06 2dj3 s TYR 77 Cb 0.08 -2.41 0.01 0.00 -0.11 0.00 0.00 41.96 39.54 2dj3 s TYR 77 CO 0.82 -0.64 -0.15 0.15 -1.11 0.00 0.00 175.55 174.62 2dj3 s LYS 78 N 1.54 2.11 -0.18 -0.62 1.02 -1.26 -4.76 119.74 117.59 2dj3 s LYS 78 Ca 0.02 -0.54 -0.19 0.00 0.02 0.00 0.00 55.97 55.28 2dj3 s LYS 78 Cb -0.19 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 2dj3 s LYS 78 CO 0.06 0.00 0.55 0.08 -0.92 0.00 0.00 175.35 175.12 2dj3 s VAL 79 N 0.79 5.10 0.00 3.17 1.01 -1.26 -4.89 120.40 124.31 2dj3 s VAL 79 Ca -0.11 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2dj3 s VAL 79 Cb -0.16 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2dj3 s VAL 79 CO 0.02 0.19 0.00 -0.62 0.00 0.00 0.00 175.10 174.69 2dj3 n GLU 80 N 4.58 2.45 -3.65 2.72 1.02 -1.26 -5.06 120.64 121.43 2dj3 n GLU 80 Ca -0.04 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.03 2dj3 n GLU 80 Cb 0.51 -0.86 -0.07 0.00 -0.02 0.00 0.00 31.44 30.99 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dj3 s GLY 81 N -2.07 -0.58 0.10 0.62 0.00 -1.26 -5.16 107.32 98.96 2dj3 s GLY 81 Ca 0.00 2.23 -0.03 0.00 0.00 0.00 0.00 44.72 46.93 2dj3 s GLY 81 CO 0.00 2.34 0.30 -1.36 0.00 0.00 0.00 173.10 174.38 2dj3 s PHE 82 N 1.75 3.50 0.80 1.90 0.40 -1.26 -3.87 117.98 121.19 2dj3 s PHE 82 Ca -0.09 0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 56.55 2dj3 s PHE 82 Cb -0.06 -1.90 0.07 0.00 0.51 0.00 0.00 43.02 41.64 2dj3 s PHE 82 CO -0.18 0.51 1.09 -1.25 0.70 0.00 0.00 175.22 176.09 2dj3 s PRO 83 N -2.56 2.04 -0.14 0.24 0.04 -1.26 -4.74 135.00 128.61 2dj3 s PRO 83 Ca 0.38 1.10 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 2dj3 s PRO 83 Cb -0.13 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.59 2dj3 s PRO 83 CO 0.26 -1.77 0.06 0.99 0.04 0.00 0.00 177.00 176.57 2dj3 s THR 84 N -2.91 0.13 -0.00 1.26 2.01 -0.91 -5.01 115.64 110.22 2dj3 s THR 84 Ca 0.62 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.49 2dj3 s THR 84 Cb -0.17 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2dj3 s THR 84 CO 0.56 -0.11 0.07 -0.63 -0.69 0.00 0.00 174.62 173.82 2dj3 s ILE 85 N 2.05 4.63 -0.07 1.82 1.01 -1.26 0.16 121.20 129.54 2dj3 s ILE 85 Ca 0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 2dj3 s ILE 85 Cb -0.15 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.24 2dj3 s ILE 85 CO -0.07 0.35 0.16 -0.31 0.00 0.00 0.00 174.94 175.06 2dj3 s TYR 86 N -1.18 -0.18 -0.31 3.97 2.02 0.27 -2.25 117.35 119.68 2dj3 s TYR 86 Ca 0.23 0.49 -0.08 0.00 -0.37 0.00 0.00 57.07 57.34 2dj3 s TYR 86 Cb -0.12 -0.03 0.01 0.00 -0.40 0.00 0.00 41.96 41.42 2dj3 s TYR 86 CO 0.14 -0.15 0.12 0.12 -1.57 0.00 0.00 175.55 174.21 2dj3 s PHE 87 N 0.88 3.18 -0.61 2.71 2.19 0.86 -0.06 117.98 127.12 2dj3 s PHE 87 Ca -0.07 -0.87 -0.13 0.00 0.33 0.00 0.00 56.93 56.19 2dj3 s PHE 87 Cb -0.08 -2.31 0.15 0.00 -1.31 0.00 0.00 43.02 39.47 2dj3 s PHE 87 CO -0.05 -0.56 0.54 0.00 1.83 0.00 0.00 175.22 176.99 2dj3 s ALA 88 N 1.54 3.71 -0.28 11.12 0.00 -0.67 -2.79 121.76 134.39 2dj3 s ALA 88 Ca 0.03 -2.81 -0.29 0.00 0.00 0.00 0.00 51.96 48.89 2dj3 s ALA 88 Cb -0.18 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2dj3 s ALA 88 CO 0.04 -2.07 1.65 -1.25 0.00 0.00 0.00 175.76 174.13 2dj3 s PRO 89 N 1.03 3.62 -0.48 0.00 0.04 -1.26 -2.15 135.00 135.80 2dj3 s PRO 89 Ca 0.09 1.50 -0.36 0.00 0.04 0.00 0.00 61.00 62.27 2dj3 s PRO 89 Cb -0.23 -4.09 -0.14 0.00 0.04 0.00 0.00 34.50 30.08 2dj3 s PRO 89 CO -0.02 -1.51 2.26 -1.13 0.04 0.00 0.00 177.00 176.64 2dj3 n SER 90 N 9.11 1.58 0.00 6.66 3.41 -1.26 -0.16 113.62 132.95 2dj3 n SER 90 Ca 0.20 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2dj3 n SER 90 Cb 0.46 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 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 6.72 2.88 1.30 5.00 0.00 -1.26 -4.87 105.19 114.96 2dj3 n GLY 91 Ca 0.47 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 0.08 3.12 0.25 1.61 8.00 0.77 -4.77 116.55 125.62 2dj3 n ASP 92 Ca 0.00 -3.75 0.10 0.00 0.71 0.00 0.00 54.79 51.84 2dj3 n ASP 92 Cb 0.00 -0.44 0.68 0.00 -0.02 0.00 0.00 41.12 41.35 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 1.56 0.00 -0.93 -1.24 1.57 -1.73 -2.71 116.57 113.09 2dj3 h LYS 93 Ca 0.16 0.00 0.39 0.00 -1.87 0.00 0.00 60.65 59.32 2dj3 h LYS 93 Cb 1.27 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.42 2dj3 h LYS 93 CO 0.34 0.00 0.51 1.63 -0.57 0.00 0.00 179.45 181.37 2dj3 n LYS 94 N -4.42 -0.05 -3.58 3.15 4.76 -1.26 -2.85 118.16 113.90 2dj3 n LYS 94 Ca -0.02 1.25 -0.40 0.00 -2.87 0.00 0.00 58.31 56.26 2dj3 n LYS 94 Cb 0.11 -2.26 -0.08 0.00 -1.84 0.00 0.00 35.03 30.97 2dj3 n LYS 94 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2dj3 s ASN 95 N -4.55 5.72 0.29 4.39 2.20 -1.02 -4.92 114.94 117.05 2dj3 s ASN 95 Ca -0.08 -2.44 -0.29 0.00 -0.94 0.00 0.00 52.86 49.11 2dj3 s ASN 95 Cb 0.31 -1.98 -0.10 0.00 -2.00 0.00 0.00 41.25 37.48 2dj3 s ASN 95 CO 0.71 -0.54 1.24 -2.16 -2.94 0.00 0.00 177.10 173.42 2dj3 s PRO 96 N 0.57 4.45 -0.34 3.55 0.04 -1.13 -4.85 135.00 137.28 2dj3 s PRO 96 Ca 0.13 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 2dj3 s PRO 96 Cb -0.20 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.24 2dj3 s PRO 96 CO -0.04 -0.08 0.11 0.42 0.04 0.00 0.00 177.00 177.45 2dj3 s ILE 97 N -0.88 3.84 0.24 0.56 1.01 -1.12 -4.94 121.20 119.90 2dj3 s ILE 97 Ca 0.49 -1.08 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 2dj3 s ILE 97 Cb -0.37 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 2dj3 s ILE 97 CO 0.46 -0.16 0.54 -0.75 0.00 0.00 0.00 174.94 175.04 2dj3 s LYS 98 N 1.42 3.76 -0.39 2.79 2.20 -1.26 -0.10 119.74 128.16 2dj3 s LYS 98 Ca -0.01 0.21 -0.20 0.00 -0.36 0.00 0.00 55.97 55.61 2dj3 s LYS 98 Cb -0.19 -2.65 0.01 0.00 -1.51 0.00 0.00 37.83 33.48 2dj3 s LYS 98 CO 0.03 0.30 0.63 0.12 -0.36 0.00 0.00 175.35 176.08 2dj3 s PHE 99 N -1.86 3.11 -0.50 4.03 2.19 -0.95 -4.98 117.98 119.02 2dj3 s PHE 99 Ca 0.46 0.17 0.03 0.00 0.33 0.00 0.00 56.93 57.93 2dj3 s PHE 99 Cb -0.11 -3.22 0.14 0.00 -1.31 0.00 0.00 43.02 38.52 2dj3 s PHE 99 CO 0.23 -0.73 0.29 -1.21 1.83 0.00 0.00 175.22 175.63 2dj3 s GLU 100 N 2.75 1.65 0.01 10.12 0.41 -1.26 -4.70 118.70 127.68 2dj3 s GLU 100 Ca 0.23 -2.40 0.05 0.00 -0.41 0.00 0.00 54.97 52.44 2dj3 s GLU 100 Cb -0.14 -2.73 -0.02 0.00 -1.78 0.00 0.00 34.13 29.46 2dj3 s GLU 100 CO 0.17 -1.18 -0.14 0.20 -0.49 0.00 0.00 175.26 173.82 2dj3 s GLY 101 N -0.14 0.73 0.56 -1.39 0.00 -1.26 -5.01 107.32 100.82 2dj3 s GLY 101 Ca 0.20 -0.70 0.42 0.00 0.00 0.00 0.00 44.72 44.63 2dj3 s GLY 101 CO -0.04 -0.64 1.63 -1.33 0.00 0.00 0.00 173.10 172.72 2dj3 h GLY 102 N 5.40 0.00 -5.00 0.20 0.00 -2.03 -3.38 103.07 98.26 2dj3 h GLY 102 Ca -0.36 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.67 2dj3 h GLY 102 CO 0.47 0.00 -0.75 -1.31 0.00 0.00 0.00 176.54 174.95 2dj3 s ASN 103 N -4.29 0.81 -0.58 0.19 -0.87 -1.26 -5.11 114.94 103.83 2dj3 s ASN 103 Ca -0.05 -0.36 0.04 0.00 -1.57 0.00 0.00 52.86 50.92 2dj3 s ASN 103 Cb 0.23 -0.01 0.15 0.00 -0.02 0.00 0.00 41.25 41.60 2dj3 s ASN 103 CO 0.79 -0.08 0.36 -0.13 -2.57 0.00 0.00 177.10 175.47 2dj3 s ARG 104 N -0.98 2.01 0.22 -0.60 0.52 -1.26 -4.80 118.95 114.07 2dj3 s ARG 104 Ca -0.05 -2.80 0.01 0.00 -0.52 0.00 0.00 55.73 52.37 2dj3 s ARG 104 Cb -0.07 -3.10 -0.00 0.00 0.52 0.00 0.00 34.95 32.30 2dj3 s ARG 104 CO 0.00 -1.21 0.03 -3.47 0.02 0.00 0.00 175.30 170.68 2dj3 n ASP 105 N 2.69 1.94 0.11 0.23 2.03 -1.26 -4.95 116.55 117.34 2dj3 n ASP 105 Ca 0.13 -2.05 0.12 0.00 0.52 0.00 0.00 54.79 53.51 2dj3 n ASP 105 Cb 0.35 0.32 0.46 0.00 -0.72 0.00 0.00 41.12 41.52 2dj3 n ASP 105 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2dj3 n LEU 106 N 0.00 0.65 -0.03 -2.67 7.94 -1.26 -0.89 117.00 120.74 2dj3 n LEU 106 Ca -0.07 0.62 -0.19 0.00 -1.11 0.00 0.00 56.01 55.26 2dj3 n LEU 106 Cb 0.30 -0.50 -0.14 0.00 0.53 0.00 0.00 43.42 43.62 2dj3 n LEU 106 CO 0.16 -0.42 -0.94 -0.62 -1.11 0.00 0.00 177.39 174.47 2dj3 n GLU 107 N -2.18 0.72 0.10 1.96 4.71 -1.26 -3.72 120.64 120.97 2dj3 n GLU 107 Ca 0.03 0.23 -0.14 0.00 -0.01 0.00 0.00 57.16 57.27 2dj3 n GLU 107 Cb 0.29 -1.66 -0.11 0.00 -1.01 0.00 0.00 31.44 28.94 2dj3 n GLU 107 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2dj3 h HIS 108 N 0.05 0.47 0.37 -0.32 3.86 -1.86 -3.16 115.15 114.56 2dj3 h HIS 108 Ca -0.46 -0.32 -0.02 0.00 -1.16 0.00 0.00 60.37 58.41 2dj3 h HIS 108 Cb 2.01 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.45 2dj3 h HIS 108 CO 0.06 1.22 -0.18 -0.07 0.86 0.00 0.00 177.93 179.82 2dj3 h LEU 109 N 0.09 -0.43 -1.34 2.43 3.38 -1.21 -2.83 115.31 115.40 2dj3 h LEU 109 Ca -0.11 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 57.90 2dj3 h LEU 109 Cb 1.87 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.67 2dj3 h LEU 109 CO 0.19 -0.19 0.53 0.77 0.09 0.00 0.00 178.44 179.83 2dj3 h SER 110 N -0.65 0.64 0.48 -0.43 4.64 -1.69 0.33 113.55 116.88 2dj3 h SER 110 Ca -0.05 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2dj3 h SER 110 Cb 0.47 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2dj3 h SER 110 CO 0.08 0.37 0.00 0.11 -0.87 0.00 0.00 176.83 176.52 2dj3 h LYS 111 N 0.70 0.00 0.04 4.77 1.57 -1.47 -1.39 116.57 120.79 2dj3 h LYS 111 Ca 0.39 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.80 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 -0.16 0.00 -2.16 0.34 -0.57 0.00 0.00 179.45 176.91 2dj3 n PHE 112 N -2.64 0.55 0.31 -1.35 -0.00 0.10 -4.02 117.46 110.41 2dj3 n PHE 112 Ca -0.00 0.15 -0.16 0.00 -0.00 0.00 0.00 57.45 57.44 2dj3 n PHE 112 Cb 0.17 -1.07 -0.08 0.00 -0.00 0.00 0.00 39.48 38.50 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 0.30 -0.66 -2.13 2.04 -0.99 -3.18 117.51 112.56 2dj3 h ILE 113 Ca -0.52 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 65.18 2dj3 h ILE 113 Cb 1.79 0.38 -0.13 0.00 -0.74 0.00 0.00 36.82 38.13 2dj3 h ILE 113 CO -0.12 0.03 -0.22 -0.78 0.00 0.00 0.00 178.15 177.06 2dj3 h ASP 114 N -1.02 -0.79 -0.07 1.72 3.58 -1.50 0.49 116.42 118.84 2dj3 h ASP 114 Ca -0.08 0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.59 2dj3 h ASP 114 Cb 0.67 0.47 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 2dj3 h ASP 114 CO 0.14 -0.25 -0.05 -0.33 -2.88 0.00 0.00 179.24 175.86 2dj3 h GLU 115 N -0.05 -0.01 0.00 0.28 4.39 -1.69 0.12 114.58 117.62 2dj3 h GLU 115 Ca 0.30 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.97 2dj3 h GLU 115 Cb 0.52 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2dj3 h GLU 115 CO -0.70 -0.01 -0.16 0.45 -1.16 0.00 0.00 179.01 177.44 2dj3 h HIS 116 N -0.01 0.00 -3.21 4.33 3.86 -1.43 -3.44 115.15 115.24 2dj3 h HIS 116 Ca 0.01 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.68 2dj3 h HIS 116 Cb 0.04 0.00 0.20 0.00 1.06 0.00 0.00 27.41 28.72 2dj3 h HIS 116 CO -0.84 0.16 -0.59 0.00 0.86 0.00 0.00 177.93 177.51 2dj3 n ALA 117 N -2.45 -2.33 -0.29 2.45 0.00 0.17 -4.92 120.51 113.14 2dj3 n ALA 117 Ca -0.02 -0.45 0.08 0.00 0.00 0.00 0.00 53.44 53.04 2dj3 n ALA 117 Cb 0.23 -1.77 0.22 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.97 1.09 0.11 0.00 -1.04 -1.26 -4.50 114.28 105.71 2dj3 n THR 118 Ca 0.08 -1.05 0.06 0.00 -2.04 0.00 0.00 64.05 61.10 2dj3 n THR 118 Cb 0.52 0.45 0.32 0.00 -1.82 0.00 0.00 70.33 69.80 2dj3 n THR 118 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2dj3 n LYS 119 N 0.83 0.08 -3.13 -2.82 3.00 -1.26 -4.64 118.16 110.22 2dj3 n LYS 119 Ca 0.16 0.56 -0.20 0.00 -0.00 0.00 0.00 58.31 58.83 2dj3 n LYS 119 Cb 0.52 -1.74 0.05 0.00 0.00 0.00 0.00 35.03 33.87 2dj3 n LYS 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2dj3 s ARG 120 N -3.28 2.31 0.09 1.64 1.04 -1.26 -5.02 118.95 114.46 2dj3 s ARG 120 Ca -0.01 -1.68 -0.35 0.00 -1.04 0.00 0.00 55.73 52.66 2dj3 s ARG 120 Cb 0.04 -2.59 -0.19 0.00 -2.04 0.00 0.00 34.95 30.17 2dj3 s ARG 120 CO 0.12 -0.83 0.83 -1.13 -0.04 0.00 0.00 175.30 174.25 2dj3 n SER 121 N -2.19 -0.54 -4.46 -2.89 3.41 -1.26 -4.92 113.62 100.76 2dj3 n SER 121 Ca 0.14 1.14 -0.29 0.00 -0.26 0.00 0.00 58.87 59.60 2dj3 n SER 121 Cb 0.62 -0.93 0.16 0.00 -0.26 0.00 0.00 64.21 63.80 2dj3 n SER 121 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2dj3 s ARG 122 N -0.43 0.82 0.27 4.33 1.81 -1.26 -5.05 118.95 119.44 2dj3 s ARG 122 Ca 0.79 -0.02 0.02 0.00 -1.72 0.00 0.00 55.73 54.79 2dj3 s ARG 122 Cb -1.12 -1.83 -0.05 0.00 -0.45 0.00 0.00 34.95 31.51 2dj3 s ARG 122 CO 0.56 -2.35 0.12 0.95 -0.68 0.00 0.00 175.30 173.90 2dj3 s THR 123 N -3.50 0.43 -0.17 0.02 -4.23 -1.26 -5.07 115.64 101.85 2dj3 s THR 123 Ca 0.68 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.24 2dj3 s THR 123 Cb -0.10 -2.58 -0.14 0.00 1.34 0.00 0.00 72.50 71.01 2dj3 s THR 123 CO 0.53 0.00 -0.08 2.29 -0.54 0.00 0.00 174.62 176.81 2dj3 n LYS 124 N -0.48 0.90 -1.51 3.99 -0.00 -1.26 -4.92 118.16 114.88 2dj3 n LYS 124 Ca 0.00 0.06 -0.41 0.00 -0.00 0.00 0.00 58.31 57.97 2dj3 n LYS 124 Cb 0.66 -1.37 -0.08 0.00 -0.00 0.00 0.00 35.03 34.24 2dj3 n LYS 124 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2dj3 n GLU 125 N -2.85 0.74 -4.28 -1.58 1.02 -1.26 -4.90 120.64 107.52 2dj3 n GLU 125 Ca -0.29 0.06 -0.18 0.00 -0.02 0.00 0.00 57.16 56.73 2dj3 n GLU 125 Cb 0.90 -2.63 -0.13 0.00 -0.02 0.00 0.00 31.44 29.55 2dj3 n GLU 125 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dj3 s GLU 126 N 8.06 0.78 0.28 3.49 0.41 -1.26 -5.15 118.70 125.31 2dj3 s GLU 126 Ca 1.12 -0.64 -0.12 0.00 -0.41 0.00 0.00 54.97 54.92 2dj3 s GLU 126 Cb -0.66 -0.74 0.01 0.00 -1.78 0.00 0.00 34.13 30.96 2dj3 s GLU 126 CO 0.38 0.18 0.53 -0.48 -0.49 0.00 0.00 175.26 175.38 2dj3 s LEU 127 N -1.00 0.38 -0.26 1.80 0.05 -1.26 -5.17 118.68 113.22 2dj3 s LEU 127 Ca -0.00 -1.04 -0.07 0.00 0.05 0.00 0.00 54.13 53.07 2dj3 s LEU 127 Cb -0.07 1.90 0.13 0.00 -2.05 0.00 0.00 46.19 46.09 2dj3 s LEU 127 CO 0.01 -1.25 0.54 -0.44 -0.55 0.00 0.00 176.35 174.66 2dj3 s SER 128 N -3.06 -0.76 -0.61 1.48 0.01 -1.26 -4.95 113.70 104.55 2dj3 s SER 128 Ca 0.22 1.15 0.05 0.00 1.31 0.00 0.00 55.95 58.68 2dj3 s SER 128 Cb -0.01 1.86 0.17 0.00 0.21 0.00 0.00 66.02 68.25 2dj3 s SER 128 CO 0.11 -0.24 0.44 -0.83 0.41 0.00 0.00 173.24 173.13 2dj3 s GLY 129 N 2.77 2.39 0.13 3.44 0.00 -1.26 -5.10 107.32 109.69 2dj3 s GLY 129 Ca 0.02 -3.39 -0.31 0.00 0.00 0.00 0.00 44.72 41.04 2dj3 s GLY 129 CO -0.17 1.39 1.34 2.56 0.00 0.00 0.00 173.10 178.23 2dj3 s PRO 130 N -0.94 4.35 0.00 2.90 0.04 -1.26 -4.91 135.00 135.19 2dj3 s PRO 130 Ca 0.27 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2dj3 s PRO 130 Cb -0.03 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2dj3 s PRO 130 CO -0.17 -0.36 0.39 -1.13 0.04 0.00 0.00 177.00 175.77 2dj3 n SER 131 N 3.56 0.79 -4.54 6.66 3.41 -1.26 -4.97 113.62 117.26 2dj3 n SER 131 Ca 0.10 -0.99 -0.41 0.00 -0.26 0.00 0.00 58.87 57.31 2dj3 n SER 131 Cb 0.43 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.02 6.20 0.00 4.04 0.15 -1.26 -5.27 113.70 117.53 2dj3 s SER 132 Ca 0.00 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2dj3 s SER 132 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2dj3 s SER 132 CO 0.00 -1.76 0.00 0.61 1.20 0.00 0.00 173.24 173.29