#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 1.60 -0.14 1.61 0.15 -1.26 -5.08 113.70 110.58 2dj3 s SER 2 Ca 0.00 -1.14 -0.23 0.00 0.70 0.00 0.00 55.95 55.28 2dj3 s SER 2 Cb 0.00 0.04 -0.20 0.00 -1.71 0.00 0.00 66.02 64.15 2dj3 s SER 2 CO 0.00 -0.48 0.55 0.28 1.20 0.00 0.00 173.24 174.80 2dj3 h SER 3 N 2.65 0.00 0.00 5.45 0.02 -2.03 -3.50 113.55 116.13 2dj3 h SER 3 Ca -0.37 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 2dj3 h SER 3 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2dj3 h SER 3 CO 0.64 0.97 0.00 0.61 -1.14 0.00 0.00 176.83 177.91 2dj3 n GLY 4 N 1.62 2.83 0.16 -3.77 0.00 -1.26 -5.00 105.19 99.77 2dj3 n GLY 4 Ca -0.11 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.26 -3.51 1.61 0.87 -2.00 -3.45 113.55 106.81 2dj3 h SER 5 Ca 0.00 -0.27 -0.67 0.00 -1.23 0.00 0.00 61.79 59.62 2dj3 h SER 5 Cb 0.00 0.07 -0.16 0.00 -0.44 0.00 0.00 62.40 61.87 2dj3 h SER 5 CO 0.00 0.24 -0.67 -0.44 -0.53 0.00 0.00 176.83 175.42 2dj3 s SER 6 N -5.31 4.85 -0.23 6.23 0.01 -1.26 -4.87 113.70 113.11 2dj3 s SER 6 Ca -0.12 -0.05 -0.06 0.00 1.31 0.00 0.00 55.95 57.02 2dj3 s SER 6 Cb 0.01 -1.21 0.02 0.00 0.21 0.00 0.00 66.02 65.05 2dj3 s SER 6 CO 0.47 0.30 0.12 0.61 0.41 0.00 0.00 173.24 175.15 2dj3 n GLY 7 N 1.65 -4.72 0.11 3.44 0.00 -1.26 -4.95 105.19 99.46 2dj3 n GLY 7 Ca -0.16 1.07 -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 3.37 0.24 -6.29 1.61 0.13 -1.87 -3.43 132.00 125.75 2dj3 h PRO 8 Ca -0.27 -0.12 -0.54 0.00 -0.87 0.00 0.00 66.00 64.19 2dj3 h PRO 8 Cb 0.62 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.76 2dj3 h PRO 8 CO 0.05 0.65 1.23 0.08 -0.23 0.00 0.00 178.00 179.78 2dj3 s VAL 9 N -4.30 3.17 0.23 1.56 1.01 -1.26 -4.73 120.40 116.08 2dj3 s VAL 9 Ca -0.15 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2dj3 s VAL 9 Cb 0.04 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 2dj3 s VAL 9 CO 0.73 -0.03 1.17 -0.75 0.00 0.00 0.00 175.10 176.21 2dj3 s LYS 10 N 4.59 4.54 -0.12 2.72 2.20 -1.15 -4.80 119.74 127.71 2dj3 s LYS 10 Ca 0.86 1.87 -0.12 0.00 -0.36 0.00 0.00 55.97 58.22 2dj3 s LYS 10 Cb -0.39 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 2dj3 s LYS 10 CO 0.38 0.01 0.27 0.14 -0.36 0.00 0.00 175.35 175.78 2dj3 s VAL 11 N -0.51 5.31 -0.03 4.02 -7.23 -1.26 0.10 120.40 120.79 2dj3 s VAL 11 Ca 0.50 0.50 0.05 0.00 -1.81 0.00 0.00 61.98 61.21 2dj3 s VAL 11 Cb -0.33 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 2dj3 s VAL 11 CO 0.39 0.49 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.80 2dj3 s VAL 12 N -0.25 1.51 0.50 1.32 1.01 0.76 -4.90 120.40 120.35 2dj3 s VAL 12 Ca 0.17 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.42 2dj3 s VAL 12 Cb -0.13 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2dj3 s VAL 12 CO 0.05 0.43 0.32 0.68 0.00 0.00 0.00 175.10 176.58 2dj3 s VAL 13 N -0.23 1.82 0.52 2.92 -7.23 -1.26 -4.17 120.40 112.77 2dj3 s VAL 13 Ca 0.02 -1.56 0.19 0.00 -1.81 0.00 0.00 61.98 58.82 2dj3 s VAL 13 Cb -0.09 -2.38 0.28 0.00 0.56 0.00 0.00 36.38 34.74 2dj3 s VAL 13 CO 0.01 0.00 2.15 1.23 -0.31 0.00 0.00 175.10 178.18 2dj3 h GLY 14 N 0.96 0.00 2.00 2.32 0.00 -1.93 1.42 103.07 107.83 2dj3 h GLY 14 Ca -0.39 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 2dj3 h GLY 14 CO 0.61 0.00 -0.50 0.07 0.00 0.00 0.00 176.54 176.73 2dj3 h LYS 15 N 0.00 0.00 0.00 4.80 2.10 -1.98 -3.19 116.57 118.30 2dj3 h LYS 15 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2dj3 h LYS 15 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2dj3 h LYS 15 CO 0.00 0.50 -0.05 0.25 -2.00 0.00 0.00 179.45 178.15 2dj3 n THR 16 N -3.70 1.56 -0.03 0.07 -2.24 -0.46 -4.75 114.28 104.73 2dj3 n THR 16 Ca -0.01 -1.84 -0.14 0.00 -2.27 0.00 0.00 64.05 59.79 2dj3 n THR 16 Cb 0.56 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.08 0.00 4.78 3.04 0.19 -0.57 116.94 124.45 2dj3 h PHE 17 Ca 0.00 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2dj3 h PHE 17 Cb 0.97 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.47 2dj3 h PHE 17 CO 0.01 0.74 0.00 -0.25 -2.02 0.00 0.00 178.31 176.79 2dj3 n ASP 18 N -4.70 0.00 -0.11 0.41 8.00 -1.26 -1.22 116.55 117.68 2dj3 n ASP 18 Ca -0.09 0.23 -0.21 0.00 0.71 0.00 0.00 54.79 55.43 2dj3 n ASP 18 Cb 0.37 -0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2dj3 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dj3 n ALA 19 N -1.38 1.27 -0.00 2.24 0.00 -1.18 -4.20 120.51 117.26 2dj3 n ALA 19 Ca 0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 53.44 52.51 2dj3 n ALA 19 Cb 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.53 0.05 0.12 0.00 5.41 -0.23 -3.44 119.36 117.74 2dj3 n ILE 20 Ca -0.45 0.49 0.20 0.00 1.00 0.00 0.00 62.75 63.99 2dj3 n ILE 20 Cb 0.97 -1.53 0.72 0.00 -0.71 0.00 0.00 39.64 39.09 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 -0.04 0.27 -0.68 1.39 2.07 -1.32 0.22 116.25 118.16 2dj3 h VAL 21 Ca 0.00 0.00 -0.49 0.00 0.82 0.00 0.00 66.70 67.03 2dj3 h VAL 21 Cb 0.03 0.59 -0.35 0.00 -1.52 0.00 0.00 31.29 30.04 2dj3 h VAL 21 CO 0.00 0.00 -0.51 0.23 0.02 0.00 0.00 177.57 177.31 2dj3 n MET 22 N -3.50 3.17 -2.83 1.57 2.81 -0.66 -4.68 117.12 113.01 2dj3 n MET 22 Ca 0.07 -3.90 -0.43 0.00 -1.81 0.00 0.00 57.70 51.63 2dj3 n MET 22 Cb 0.66 -2.18 -0.04 0.00 -0.71 0.00 0.00 33.22 30.94 2dj3 n MET 22 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2dj3 s ASP 23 N -3.25 6.48 0.00 7.83 2.15 0.76 -4.66 116.67 125.97 2dj3 s ASP 23 Ca 0.51 0.06 0.10 0.00 0.43 0.00 0.00 52.55 53.64 2dj3 s ASP 23 Cb 0.42 -2.45 0.57 0.00 -0.30 0.00 0.00 42.92 41.17 2dj3 s ASP 23 CO 0.02 -1.06 1.02 -0.81 -0.17 0.00 0.00 175.17 174.16 2dj3 n PRO 24 N 7.18 0.49 0.01 4.34 -0.04 -1.26 -2.38 135.00 143.34 2dj3 n PRO 24 Ca 0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 2dj3 n PRO 24 Cb 0.48 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.45 0.54 1.57 -1.91 -3.41 116.57 110.91 2dj3 h LYS 25 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2dj3 h LYS 25 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 2dj3 h LYS 25 CO 0.00 0.50 0.27 -1.59 -0.57 0.00 0.00 179.45 178.06 2dj3 s LYS 26 N -2.70 1.09 0.15 3.15 -2.85 -1.00 -5.01 119.74 112.56 2dj3 s LYS 26 Ca -0.03 -0.15 -0.30 0.00 -1.00 0.00 0.00 55.97 54.49 2dj3 s LYS 26 Cb 0.08 0.51 -0.07 0.00 -2.06 0.00 0.00 37.83 36.29 2dj3 s LYS 26 CO 0.82 -0.42 1.23 -0.51 0.10 0.00 0.00 175.35 176.56 2dj3 s ASP 27 N -2.04 7.04 -0.14 0.03 1.01 -1.12 -4.22 116.67 117.22 2dj3 s ASP 27 Ca -0.03 2.21 0.00 0.00 0.71 0.00 0.00 52.55 55.44 2dj3 s ASP 27 Cb -0.01 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.35 2dj3 s ASP 27 CO -0.03 -0.44 -0.14 -0.69 0.21 0.00 0.00 175.17 174.08 2dj3 s VAL 28 N 0.37 1.53 -0.58 -1.27 1.01 -0.98 -3.21 120.40 117.27 2dj3 s VAL 28 Ca 0.56 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 2dj3 s VAL 28 Cb -0.33 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.67 2dj3 s VAL 28 CO 0.34 0.45 0.88 -0.22 0.00 0.00 0.00 175.10 176.56 2dj3 s LEU 29 N 1.43 4.41 -0.08 3.92 2.96 -1.22 -2.34 118.68 127.77 2dj3 s LEU 29 Ca 0.03 -0.72 -0.19 0.00 -0.22 0.00 0.00 54.13 53.04 2dj3 s LEU 29 Cb -0.13 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2dj3 s LEU 29 CO -0.09 -1.23 0.51 -0.51 -1.32 0.00 0.00 176.35 173.71 2dj3 s ILE 30 N 3.69 5.11 -0.27 6.68 1.10 0.94 -2.24 121.20 136.22 2dj3 s ILE 30 Ca 0.24 1.04 0.03 0.00 -0.51 0.00 0.00 60.65 61.45 2dj3 s ILE 30 Cb -0.16 -3.85 0.07 0.00 0.15 0.00 0.00 42.46 38.67 2dj3 s ILE 30 CO 0.14 0.36 -0.07 -0.70 -2.11 0.00 0.00 174.94 172.56 2dj3 s GLU 31 N 0.35 1.94 -0.48 3.50 -6.30 -1.09 0.74 118.70 117.35 2dj3 s GLU 31 Ca 0.28 -1.36 -0.28 0.00 -2.50 0.00 0.00 54.97 51.10 2dj3 s GLU 31 Cb -0.16 -2.86 0.01 0.00 0.00 0.00 0.00 34.13 31.12 2dj3 s GLU 31 CO 0.13 -0.65 1.41 -0.06 0.02 0.00 0.00 175.26 176.10 2dj3 s PHE 32 N 1.14 2.35 0.06 5.30 0.08 0.21 -2.83 117.98 124.28 2dj3 s PHE 32 Ca -0.04 0.59 0.04 0.00 0.12 0.00 0.00 56.93 57.63 2dj3 s PHE 32 Cb -0.20 -4.35 -0.04 0.00 -0.57 0.00 0.00 43.02 37.86 2dj3 s PHE 32 CO -0.06 -1.95 -0.01 1.52 -0.10 0.00 0.00 175.22 174.62 2dj3 s TYR 33 N 5.73 3.00 -0.22 0.36 -0.85 -1.18 -2.43 117.35 121.76 2dj3 s TYR 33 Ca 0.57 -0.00 -0.05 0.00 -0.52 0.00 0.00 57.07 57.06 2dj3 s TYR 33 Cb -0.12 -1.58 -0.02 0.00 0.38 0.00 0.00 41.96 40.63 2dj3 s TYR 33 CO 0.29 0.46 0.01 0.00 -1.52 0.00 0.00 175.55 174.79 2dj3 s ALA 34 N -1.23 2.99 -1.87 9.51 0.00 -1.26 -4.33 121.76 125.58 2dj3 s ALA 34 Ca 0.23 -1.09 0.15 0.00 0.00 0.00 0.00 51.96 51.26 2dj3 s ALA 34 Cb -0.12 -1.83 0.89 0.00 0.00 0.00 0.00 23.12 22.06 2dj3 s ALA 34 CO 0.15 -0.34 1.36 -0.35 0.00 0.00 0.00 175.76 176.59 2dj3 n PRO 35 N 4.62 0.43 -0.06 0.00 -0.04 -1.26 -1.94 135.00 136.75 2dj3 n PRO 35 Ca -0.17 0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.35 2dj3 n PRO 35 Cb 0.51 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.06 0.00 -4.24 0.54 4.27 -1.26 -5.04 117.44 110.65 2dj3 n TRP 36 Ca 0.11 -0.58 -0.30 0.00 -3.89 0.00 0.00 57.50 52.83 2dj3 n TRP 36 Cb 0.07 -0.08 -0.09 0.00 -1.36 0.00 0.00 31.31 29.85 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 0.83 -1.12 0.06 0.00 0.00 -1.26 -4.04 105.19 99.66 2dj3 n GLY 38 Ca -0.13 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.70 2dj3 n GLY 38 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dj3 n HIS 39 N -2.68 0.39 -0.05 1.61 8.25 -1.26 -2.85 115.22 118.63 2dj3 n HIS 39 Ca -0.13 0.16 -0.22 0.00 -0.26 0.00 0.00 57.72 57.27 2dj3 n HIS 39 Cb 0.82 -0.75 -0.13 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.52 0.17 -0.08 0.00 2.10 -1.68 1.41 116.57 117.97 2dj3 h LYS 41 Ca -0.37 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.16 2dj3 h LYS 41 Cb 1.63 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.91 2dj3 h LYS 41 CO -0.07 0.11 -0.43 -0.56 -2.00 0.00 0.00 179.45 176.50 2dj3 h GLN 42 N 0.17 0.17 0.00 0.07 3.07 -1.71 -2.99 115.11 113.89 2dj3 h GLN 42 Ca 0.68 -0.08 0.00 0.00 0.09 0.00 0.00 58.65 59.34 2dj3 h GLN 42 Cb 2.19 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.74 2dj3 h GLN 42 CO -0.23 0.57 -1.35 -0.11 0.09 0.00 0.00 178.83 177.80 2dj3 n LEU 43 N -4.01 0.49 -0.22 0.06 7.94 0.39 -4.28 117.00 117.38 2dj3 n LEU 43 Ca -0.02 -0.06 -0.10 0.00 -1.11 0.00 0.00 56.01 54.73 2dj3 n LEU 43 Cb 0.48 -0.04 -0.06 0.00 0.53 0.00 0.00 43.42 44.33 2dj3 n LEU 43 CO 0.41 0.04 0.54 -0.33 -1.11 0.00 0.00 177.39 176.95 2dj3 h GLU 44 N 0.00 -0.23 -0.34 1.96 5.08 0.12 0.32 114.58 121.50 2dj3 h GLU 44 Ca 0.00 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2dj3 h GLU 44 Cb 0.81 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2dj3 h GLU 44 CO 0.00 -0.16 -0.34 -1.00 -1.00 0.00 0.00 179.01 176.52 2dj3 h PRO 45 N -0.24 0.82 -0.96 2.33 0.13 -1.78 -2.98 132.00 129.32 2dj3 h PRO 45 Ca 0.15 -0.43 0.08 0.00 -0.87 0.00 0.00 66.00 64.93 2dj3 h PRO 45 Cb 0.56 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.64 2dj3 h PRO 45 CO -0.70 1.07 0.62 0.82 -0.23 0.00 0.00 178.00 179.58 2dj3 h ILE 46 N 0.61 1.03 -0.05 -3.56 2.04 -1.52 -0.82 117.51 115.24 2dj3 h ILE 46 Ca 0.05 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 2dj3 h ILE 46 Cb 0.92 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2dj3 h ILE 46 CO 0.08 0.19 -0.48 0.22 0.00 0.00 0.00 178.15 178.16 2dj3 h TYR 47 N 1.06 0.14 0.19 1.37 3.20 -0.35 -2.89 116.97 119.69 2dj3 h TYR 47 Ca 0.43 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.27 2dj3 h TYR 47 Cb 0.27 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 2dj3 h TYR 47 CO -0.00 0.58 -0.38 1.15 -1.64 0.00 0.00 178.16 177.87 2dj3 h THR 48 N 0.09 0.22 -0.01 1.81 2.02 -0.99 -1.70 112.91 114.36 2dj3 h THR 48 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2dj3 h THR 48 Cb 0.89 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2dj3 h THR 48 CO 0.07 0.00 -0.27 0.28 0.37 0.00 0.00 175.52 175.97 2dj3 h SER 49 N -0.66 0.01 0.17 4.18 0.02 -1.56 -1.75 113.55 113.96 2dj3 h SER 49 Ca 0.01 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2dj3 h SER 49 Cb 0.66 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2dj3 h SER 49 CO -0.18 0.28 -0.07 0.25 -1.14 0.00 0.00 176.83 175.97 2dj3 h LEU 50 N 0.01 0.00 0.01 5.07 5.85 -1.11 -0.69 115.31 124.44 2dj3 h LEU 50 Ca -0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 2dj3 h LEU 50 Cb 0.49 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 2dj3 h LEU 50 CO 0.04 0.07 -1.89 0.61 -0.34 0.00 0.00 178.44 176.93 2dj3 n GLY 51 N -1.05 -0.64 0.28 3.75 0.00 -0.77 -2.95 105.19 103.81 2dj3 n GLY 51 Ca -0.02 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.86 0.00 0.07 1.61 2.10 -1.31 0.19 116.57 118.36 2dj3 h LYS 52 Ca -0.51 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 57.78 2dj3 h LYS 52 Cb 1.52 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.81 2dj3 h LYS 52 CO -0.27 0.00 -2.07 0.36 -2.00 0.00 0.00 179.45 175.47 2dj3 n LYS 53 N -2.88 0.69 -0.01 0.07 2.85 -0.27 -4.14 118.16 114.48 2dj3 n LYS 53 Ca -0.02 0.27 0.14 0.00 -1.05 0.00 0.00 58.31 57.65 2dj3 n LYS 53 Cb 0.12 -1.65 0.73 0.00 -0.65 0.00 0.00 35.03 33.58 2dj3 n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2dj3 n TYR 54 N -3.60 0.02 0.28 5.58 4.02 -0.99 -3.65 117.16 118.82 2dj3 n TYR 54 Ca -0.37 -0.01 0.15 0.00 -0.01 0.00 0.00 57.90 57.66 2dj3 n TYR 54 Cb 0.97 0.00 0.81 0.00 -0.02 0.00 0.00 39.34 41.10 2dj3 n TYR 54 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 2dj3 h LYS 55 N 0.70 0.00 -0.99 -0.72 2.10 -0.79 -2.32 116.57 114.54 2dj3 h LYS 55 Ca 0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.28 2dj3 h LYS 55 Cb 0.15 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 31.26 2dj3 h LYS 55 CO 0.00 0.08 0.47 0.41 -2.00 0.00 0.00 179.45 178.41 2dj3 n GLY 56 N -0.63 3.79 4.00 0.07 0.00 -1.24 -4.94 105.19 106.24 2dj3 n GLY 56 Ca -0.02 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.40 1.84 -0.55 1.61 -1.52 -0.88 -5.05 119.66 112.71 2dj3 s GLN 57 Ca 0.42 -1.16 -0.17 0.00 -1.95 0.00 0.00 55.36 52.50 2dj3 s GLN 57 Cb 0.35 -2.39 0.11 0.00 -0.22 0.00 0.00 33.01 30.86 2dj3 s GLN 57 CO 0.08 -1.30 0.56 0.15 -0.25 0.00 0.00 175.29 174.54 2dj3 s LYS 58 N -5.04 3.01 -0.85 2.91 -0.14 -1.26 -4.40 119.74 113.97 2dj3 s LYS 58 Ca 0.65 -1.52 -0.02 0.00 -1.36 0.00 0.00 55.97 53.72 2dj3 s LYS 58 Cb -0.06 -4.27 0.00 0.00 -1.68 0.00 0.00 37.83 31.83 2dj3 s LYS 58 CO 0.43 -1.37 0.72 -0.25 -0.76 0.00 0.00 175.35 174.12 2dj3 n ASP 59 N 5.63 -2.94 -3.66 2.83 8.00 -1.26 -4.97 116.55 120.18 2dj3 n ASP 59 Ca -0.12 -0.40 -0.21 0.00 0.71 0.00 0.00 54.79 54.77 2dj3 n ASP 59 Cb 0.41 -3.62 -0.18 0.00 -0.02 0.00 0.00 41.12 37.72 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 -5.05 0.17 -0.24 0.64 2.96 -1.26 -2.78 118.68 113.11 2dj3 s LEU 60 Ca 0.12 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2dj3 s LEU 60 Cb -0.05 -0.15 0.07 0.00 0.50 0.00 0.00 46.19 46.55 2dj3 s LEU 60 CO 0.49 -0.27 0.01 -0.69 -1.32 0.00 0.00 176.35 174.58 2dj3 s VAL 61 N 2.17 1.11 -0.64 1.68 1.01 -1.20 -4.62 120.40 119.91 2dj3 s VAL 61 Ca 0.05 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 60.63 2dj3 s VAL 61 Cb -0.13 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.69 2dj3 s VAL 61 CO -0.04 -0.29 1.37 -0.63 0.00 0.00 0.00 175.10 175.51 2dj3 s ILE 62 N 1.56 3.75 0.35 2.22 1.01 -1.26 -3.41 121.20 125.42 2dj3 s ILE 62 Ca 0.00 0.56 0.09 0.00 0.00 0.00 0.00 60.65 61.30 2dj3 s ILE 62 Cb -0.18 -4.63 -0.06 0.00 0.01 0.00 0.00 42.46 37.60 2dj3 s ILE 62 CO -0.11 -1.46 0.00 0.00 0.00 0.00 0.00 174.94 173.38 2dj3 s ALA 63 N 6.04 3.18 0.10 9.38 0.00 -0.95 -2.95 121.76 136.57 2dj3 s ALA 63 Ca 0.45 -2.00 0.04 0.00 0.00 0.00 0.00 51.96 50.44 2dj3 s ALA 63 Cb -0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2dj3 s ALA 63 CO 0.21 0.05 -0.10 -1.59 0.00 0.00 0.00 175.76 174.33 2dj3 s LYS 64 N -3.71 0.87 -0.01 0.00 -2.85 0.11 -2.68 119.74 111.47 2dj3 s LYS 64 Ca 0.35 -1.21 -0.09 0.00 -1.00 0.00 0.00 55.97 54.01 2dj3 s LYS 64 Cb 0.01 -0.51 0.01 0.00 -2.06 0.00 0.00 37.83 35.28 2dj3 s LYS 64 CO 0.19 0.07 0.19 1.41 0.10 0.00 0.00 175.35 177.31 2dj3 s MET 65 N -3.02 0.51 -0.46 1.78 1.75 -1.13 -0.17 119.30 118.56 2dj3 s MET 65 Ca 0.07 -0.27 -0.22 0.00 -1.25 0.00 0.00 55.69 54.02 2dj3 s MET 65 Cb -0.01 0.22 0.03 0.00 2.84 0.00 0.00 34.83 37.91 2dj3 s MET 65 CO -0.00 -0.12 0.73 0.34 -0.65 0.00 0.00 175.02 175.31 2dj3 s ASP 66 N -1.22 6.35 0.34 1.11 2.15 -1.26 -3.12 116.67 121.03 2dj3 s ASP 66 Ca -0.13 -0.32 0.18 0.00 0.43 0.00 0.00 52.55 52.72 2dj3 s ASP 66 Cb -0.06 -2.36 0.40 0.00 -0.30 0.00 0.00 42.92 40.61 2dj3 s ASP 66 CO 0.02 -0.90 1.60 0.00 -0.17 0.00 0.00 175.17 175.72 2dj3 h ALA 67 N 8.98 0.83 -0.28 3.66 0.00 -1.75 0.76 119.26 131.46 2dj3 h ALA 67 Ca -0.25 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 2dj3 h ALA 67 Cb 1.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2dj3 h ALA 67 CO 0.95 0.49 -0.04 1.79 0.00 0.00 0.00 179.25 182.43 2dj3 h THR 68 N 0.00 1.19 0.00 0.00 1.35 -1.91 -3.30 112.91 110.24 2dj3 h THR 68 Ca -0.00 -0.79 -0.40 0.00 -0.55 0.00 0.00 66.41 64.67 2dj3 h THR 68 Cb 1.12 1.03 -0.06 0.00 -1.73 0.00 0.00 68.15 68.50 2dj3 h THR 68 CO 0.05 0.26 -2.41 0.00 -0.25 0.00 0.00 175.52 173.18 2dj3 n ALA 69 N -2.48 1.41 -2.71 6.62 0.00 -1.20 -4.94 120.51 117.21 2dj3 n ALA 69 Ca 0.01 -1.02 -0.39 0.00 0.00 0.00 0.00 53.44 52.04 2dj3 n ALA 69 Cb 0.25 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 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 -6.86 6.73 -0.42 0.00 0.01 0.26 -5.04 114.94 109.63 2dj3 s ASN 70 Ca -0.34 0.88 -0.25 0.00 -0.71 0.00 0.00 52.86 52.44 2dj3 s ASN 70 Cb 0.11 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.47 2dj3 s ASN 70 CO 0.50 -0.08 0.87 -1.81 -1.51 0.00 0.00 177.10 175.07 2dj3 s ASP 71 N 0.79 6.53 -0.43 -1.22 1.11 -1.26 -4.21 116.67 117.99 2dj3 s ASP 71 Ca 0.28 0.23 -0.27 0.00 0.18 0.00 0.00 52.55 52.98 2dj3 s ASP 71 Cb -0.16 -2.43 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 2dj3 s ASP 71 CO 0.12 -0.91 2.32 -0.63 1.18 0.00 0.00 175.17 177.25 2dj3 s ILE 72 N 3.47 3.04 0.31 0.77 1.01 -1.26 -4.82 121.20 123.71 2dj3 s ILE 72 Ca 0.35 0.03 0.04 0.00 0.00 0.00 0.00 60.65 61.06 2dj3 s ILE 72 Cb -0.12 -3.08 0.30 0.00 0.01 0.00 0.00 42.46 39.57 2dj3 s ILE 72 CO 0.22 -0.07 1.85 0.71 0.00 0.00 0.00 174.94 177.65 2dj3 h THR 73 N 7.50 0.89 -1.86 2.92 1.35 -1.95 -3.43 112.91 118.34 2dj3 h THR 73 Ca -0.29 -0.31 -0.23 0.00 -0.55 0.00 0.00 66.41 65.04 2dj3 h THR 73 Cb 1.25 -0.08 0.13 0.00 -1.73 0.00 0.00 68.15 67.72 2dj3 h THR 73 CO 1.11 0.16 -0.42 0.59 -0.25 0.00 0.00 175.52 176.71 2dj3 n ASN 74 N -4.60 -2.88 0.00 5.36 3.02 -1.26 -4.99 115.26 109.92 2dj3 n ASN 74 Ca 0.18 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2dj3 n ASN 74 Cb 0.39 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 2dj3 n ASN 74 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2dj3 n ASP 75 N -0.72 3.84 0.02 6.41 9.92 -1.26 -4.68 116.55 130.08 2dj3 n ASP 75 Ca 0.05 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.43 2dj3 n ASP 75 Cb 0.36 0.29 0.53 0.00 -0.64 0.00 0.00 41.12 41.65 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dj3 n GLN 76 N -1.90 0.05 -3.24 -1.24 3.00 -1.26 -4.55 117.38 108.23 2dj3 n GLN 76 Ca 0.00 0.09 -0.45 0.00 -0.01 0.00 0.00 57.00 56.63 2dj3 n GLN 76 Cb 0.41 -1.56 -0.05 0.00 0.00 0.00 0.00 30.24 29.04 2dj3 n GLN 76 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2dj3 s TYR 77 N -3.03 3.16 -0.21 1.08 1.51 -1.26 -4.83 117.35 113.77 2dj3 s TYR 77 Ca 0.12 -1.14 0.02 0.00 -1.01 0.00 0.00 57.07 55.06 2dj3 s TYR 77 Cb 0.16 -3.83 0.04 0.00 -0.11 0.00 0.00 41.96 38.22 2dj3 s TYR 77 CO 0.49 -1.10 -0.16 0.15 -1.11 0.00 0.00 175.55 173.82 2dj3 s LYS 78 N 1.99 2.68 -0.99 -0.62 1.02 -1.26 -4.92 119.74 117.64 2dj3 s LYS 78 Ca 0.06 -1.04 -0.18 0.00 0.02 0.00 0.00 55.97 54.84 2dj3 s LYS 78 Cb -0.27 -2.70 0.14 0.00 -0.52 0.00 0.00 37.83 34.48 2dj3 s LYS 78 CO 0.05 -0.36 1.19 0.08 -0.92 0.00 0.00 175.35 175.39 2dj3 s VAL 79 N 1.21 4.80 0.18 3.17 1.01 -1.26 -4.82 120.40 124.70 2dj3 s VAL 79 Ca -0.01 -1.81 0.22 0.00 0.00 0.00 0.00 61.98 60.38 2dj3 s VAL 79 Cb -0.16 -4.81 0.19 0.00 0.00 0.00 0.00 36.38 31.61 2dj3 s VAL 79 CO -0.10 -1.53 1.81 -0.33 0.00 0.00 0.00 175.10 174.95 2dj3 h GLU 80 N 8.46 0.00 0.00 2.72 4.39 -1.97 -3.47 114.58 124.71 2dj3 h GLU 80 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2dj3 h GLU 80 Cb 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2dj3 h GLU 80 CO 1.14 0.28 0.00 0.41 -1.16 0.00 0.00 179.01 179.68 2dj3 n GLY 81 N 0.09 2.81 3.34 -3.84 0.00 -1.26 -5.18 105.19 101.13 2dj3 n GLY 81 Ca -0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 2dj3 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dj3 s PHE 82 N -2.58 -0.39 1.18 1.61 0.40 -1.26 -4.40 117.98 112.55 2dj3 s PHE 82 Ca 0.00 0.76 -0.18 0.00 -0.60 0.00 0.00 56.93 56.91 2dj3 s PHE 82 Cb 0.00 0.19 0.28 0.00 0.51 0.00 0.00 43.02 43.99 2dj3 s PHE 82 CO 0.00 -0.39 1.11 -1.25 0.70 0.00 0.00 175.22 175.39 2dj3 s PRO 83 N -0.78 -1.05 -0.29 0.24 0.04 -1.26 -4.65 135.00 127.26 2dj3 s PRO 83 Ca -0.09 0.00 0.01 0.00 0.04 0.00 0.00 61.00 60.97 2dj3 s PRO 83 Cb -0.03 -1.61 0.18 0.00 0.04 0.00 0.00 34.50 33.07 2dj3 s PRO 83 CO 0.04 -3.61 0.53 0.99 0.04 0.00 0.00 177.00 174.99 2dj3 s THR 84 N -3.00 -0.87 0.02 1.26 2.01 -1.02 -5.01 115.64 109.03 2dj3 s THR 84 Ca 0.70 -0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.57 2dj3 s THR 84 Cb -0.11 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2dj3 s THR 84 CO 0.56 -0.07 0.28 -0.63 -0.69 0.00 0.00 174.62 174.07 2dj3 s ILE 85 N 2.74 5.28 -0.04 1.82 1.01 -1.26 0.63 121.20 131.38 2dj3 s ILE 85 Ca 0.14 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.94 2dj3 s ILE 85 Cb -0.13 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.78 2dj3 s ILE 85 CO -0.23 0.35 0.11 -0.31 0.00 0.00 0.00 174.94 174.85 2dj3 s TYR 86 N -1.32 -0.11 -0.32 3.97 2.02 0.23 -2.69 117.35 119.12 2dj3 s TYR 86 Ca 0.28 0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 57.23 2dj3 s TYR 86 Cb -0.13 -0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.43 2dj3 s TYR 86 CO 0.17 -0.09 0.10 0.12 -1.57 0.00 0.00 175.55 174.28 2dj3 s PHE 87 N 0.46 3.21 -0.60 2.71 2.19 0.91 -0.04 117.98 126.81 2dj3 s PHE 87 Ca -0.03 -1.18 -0.13 0.00 0.33 0.00 0.00 56.93 55.91 2dj3 s PHE 87 Cb -0.05 -2.28 0.15 0.00 -1.31 0.00 0.00 43.02 39.53 2dj3 s PHE 87 CO -0.02 -0.66 0.53 0.00 1.83 0.00 0.00 175.22 176.90 2dj3 s ALA 88 N 1.46 3.70 -0.12 11.12 0.00 -0.99 -2.53 121.76 134.39 2dj3 s ALA 88 Ca 0.01 -2.77 -0.29 0.00 0.00 0.00 0.00 51.96 48.90 2dj3 s ALA 88 Cb -0.18 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2dj3 s ALA 88 CO 0.03 -2.06 1.54 -1.25 0.00 0.00 0.00 175.76 174.02 2dj3 s PRO 89 N 1.11 4.11 -0.40 0.00 0.04 -1.26 -2.32 135.00 136.28 2dj3 s PRO 89 Ca 0.08 1.93 -0.32 0.00 0.04 0.00 0.00 61.00 62.72 2dj3 s PRO 89 Cb -0.24 -3.94 -0.10 0.00 0.04 0.00 0.00 34.50 30.26 2dj3 s PRO 89 CO -0.01 -0.91 2.27 -1.13 0.04 0.00 0.00 177.00 177.26 2dj3 n SER 90 N 7.30 2.21 0.00 6.66 3.41 -1.26 -1.16 113.62 130.77 2dj3 n SER 90 Ca 0.17 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2dj3 n SER 90 Cb 0.44 -1.33 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 6.34 3.29 1.54 5.00 0.00 -1.26 -4.87 105.19 115.22 2dj3 n GLY 91 Ca 0.41 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 2dj3 n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dj3 n ASP 92 N 0.00 3.92 -0.05 1.61 2.03 -0.31 -4.75 116.55 119.00 2dj3 n ASP 92 Ca 0.00 -3.80 0.05 0.00 0.52 0.00 0.00 54.79 51.56 2dj3 n ASP 92 Cb 0.00 -0.50 0.41 0.00 -0.72 0.00 0.00 41.12 40.31 2dj3 n ASP 92 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2dj3 h LYS 93 N 1.66 0.59 -0.98 -0.67 1.57 -1.71 -2.69 116.57 114.34 2dj3 h LYS 93 Ca 0.27 -0.04 0.34 0.00 -1.87 0.00 0.00 60.65 59.36 2dj3 h LYS 93 Cb 1.37 -0.13 -0.10 0.00 0.08 0.00 0.00 32.23 33.44 2dj3 h LYS 93 CO 0.58 0.39 0.63 1.63 -0.57 0.00 0.00 179.45 182.10 2dj3 n LYS 94 N -4.47 -0.03 -3.74 3.15 4.76 -1.26 -2.52 118.16 114.06 2dj3 n LYS 94 Ca 0.05 0.90 -0.36 0.00 -2.87 0.00 0.00 58.31 56.03 2dj3 n LYS 94 Cb 0.11 -1.78 -0.10 0.00 -1.84 0.00 0.00 35.03 31.42 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 -4.37 5.25 0.40 4.39 0.01 -1.02 -4.85 114.94 114.75 2dj3 s ASN 95 Ca -0.05 -2.54 -0.25 0.00 -0.71 0.00 0.00 52.86 49.31 2dj3 s ASN 95 Cb 0.22 -1.85 -0.08 0.00 0.41 0.00 0.00 41.25 39.95 2dj3 s ASN 95 CO 0.59 -0.44 1.19 -2.16 -1.51 0.00 0.00 177.10 174.77 2dj3 s PRO 96 N 0.40 4.06 -0.31 -0.60 0.04 -1.05 -4.84 135.00 132.70 2dj3 s PRO 96 Ca 0.13 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 2dj3 s PRO 96 Cb -0.21 -2.70 0.04 0.00 0.04 0.00 0.00 34.50 31.66 2dj3 s PRO 96 CO -0.04 -0.33 0.05 0.42 0.04 0.00 0.00 177.00 177.14 2dj3 s ILE 97 N -1.38 3.43 0.27 0.56 1.01 -1.05 -4.94 121.20 119.09 2dj3 s ILE 97 Ca 0.57 -1.15 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 2dj3 s ILE 97 Cb -0.32 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.18 2dj3 s ILE 97 CO 0.40 -0.08 0.58 -0.75 0.00 0.00 0.00 174.94 175.09 2dj3 s LYS 98 N 1.35 3.74 -0.58 2.79 2.20 -1.26 -0.06 119.74 127.91 2dj3 s LYS 98 Ca -0.02 0.19 -0.22 0.00 -0.36 0.00 0.00 55.97 55.56 2dj3 s LYS 98 Cb -0.19 -2.62 0.06 0.00 -1.51 0.00 0.00 37.83 33.57 2dj3 s LYS 98 CO 0.01 0.24 0.86 0.12 -0.36 0.00 0.00 175.35 176.21 2dj3 s PHE 99 N -1.98 2.83 -0.69 4.03 5.36 -1.09 -4.97 117.98 121.46 2dj3 s PHE 99 Ca 0.46 -0.38 0.04 0.00 -0.96 0.00 0.00 56.93 56.09 2dj3 s PHE 99 Cb -0.11 -4.02 0.17 0.00 -0.34 0.00 0.00 43.02 38.72 2dj3 s PHE 99 CO 0.26 -1.37 0.48 -1.21 -1.46 0.00 0.00 175.22 171.91 2dj3 s GLU 100 N 3.59 2.47 0.00 10.12 2.02 -1.26 -4.82 118.70 130.81 2dj3 s GLU 100 Ca 0.23 -3.21 0.00 0.00 0.02 0.00 0.00 54.97 52.01 2dj3 s GLU 100 Cb -0.16 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.60 2dj3 s GLU 100 CO 0.14 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.57 2dj3 n GLY 101 N 2.23 6.20 0.09 -1.39 0.00 -1.26 -5.07 105.19 105.99 2dj3 n GLY 101 Ca 0.17 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 2dj3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dj3 n GLY 102 N 5.00 -1.02 3.01 -0.02 0.00 -1.26 -4.99 105.19 105.92 2dj3 n GLY 102 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2dj3 n GLY 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dj3 s ASN 103 N -5.53 0.30 -0.75 1.61 2.47 -1.26 -5.09 114.94 106.69 2dj3 s ASN 103 Ca -0.08 -0.63 0.04 0.00 0.42 0.00 0.00 52.86 52.61 2dj3 s ASN 103 Cb 0.07 0.13 0.25 0.00 -1.45 0.00 0.00 41.25 40.25 2dj3 s ASN 103 CO 0.84 -0.39 0.84 0.54 -3.72 0.00 0.00 177.10 175.21 2dj3 n ARG 104 N 1.19 2.77 -3.13 0.43 1.74 -1.26 -4.71 116.66 113.69 2dj3 n ARG 104 Ca -0.21 -4.62 -0.15 0.00 -0.77 0.00 0.00 57.85 52.10 2dj3 n ARG 104 Cb 0.57 -2.32 -0.02 0.00 -1.02 0.00 0.00 32.46 29.66 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 1.21 2.48 0.15 0.55 2.03 -1.26 -4.82 116.55 116.88 2dj3 n ASP 105 Ca 0.27 -2.03 0.13 0.00 0.52 0.00 0.00 54.79 53.68 2dj3 n ASP 105 Cb 0.39 0.13 0.44 0.00 -0.72 0.00 0.00 41.12 41.35 2dj3 n ASP 105 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2dj3 h LEU 106 N 0.00 0.00 0.08 -2.67 5.85 -1.97 -1.50 115.31 115.11 2dj3 h LEU 106 Ca -0.19 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.17 2dj3 h LEU 106 Cb 0.61 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2dj3 h LEU 106 CO 0.32 0.00 -2.00 1.21 -0.34 0.00 0.00 178.44 177.63 2dj3 n GLU 107 N -2.44 0.72 0.07 1.25 2.13 -1.26 -3.53 120.64 117.58 2dj3 n GLU 107 Ca 0.04 0.25 -0.18 0.00 0.66 0.00 0.00 57.16 57.93 2dj3 n GLU 107 Cb 0.36 -1.70 -0.09 0.00 0.27 0.00 0.00 31.44 30.28 2dj3 n GLU 107 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dj3 h HIS 108 N 0.05 0.82 0.10 4.31 3.86 -1.85 -3.11 115.15 119.33 2dj3 h HIS 108 Ca -0.42 -0.48 -0.00 0.00 -1.16 0.00 0.00 60.37 58.31 2dj3 h HIS 108 Cb 2.03 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 30.42 2dj3 h HIS 108 CO 0.06 1.32 -0.05 -0.07 0.86 0.00 0.00 177.93 180.05 2dj3 h LEU 109 N 0.27 -0.11 -1.59 2.43 3.38 -1.46 -2.72 115.31 115.51 2dj3 h LEU 109 Ca -0.13 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.80 2dj3 h LEU 109 Cb 1.74 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 2dj3 h LEU 109 CO 0.20 0.09 0.44 0.77 0.09 0.00 0.00 178.44 180.03 2dj3 h SER 110 N -0.31 0.41 0.99 -0.43 4.64 -1.66 0.35 113.55 117.54 2dj3 h SER 110 Ca -0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dj3 h SER 110 Cb 0.26 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2dj3 h SER 110 CO 0.02 0.24 0.00 0.11 -0.87 0.00 0.00 176.83 176.33 2dj3 h LYS 111 N 0.45 0.00 0.02 4.77 1.57 -1.42 -2.58 116.57 119.39 2dj3 h LYS 111 Ca 0.31 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.75 2dj3 h LYS 111 Cb 0.60 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 2dj3 h LYS 111 CO -0.09 0.00 -2.07 0.34 -0.57 0.00 0.00 179.45 177.05 2dj3 n PHE 112 N -2.83 0.59 0.28 -1.35 7.35 0.10 -3.86 117.46 117.73 2dj3 n PHE 112 Ca 0.01 0.18 -0.12 0.00 -0.76 0.00 0.00 57.45 56.77 2dj3 n PHE 112 Cb 0.30 -1.10 -0.05 0.00 0.35 0.00 0.00 39.48 38.97 2dj3 n PHE 112 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2dj3 h ILE 113 N 0.01 0.00 -0.09 -2.13 2.04 -0.88 -3.17 117.51 113.29 2dj3 h ILE 113 Ca -0.43 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2dj3 h ILE 113 Cb 2.08 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 2dj3 h ILE 113 CO 0.04 0.00 -0.45 -0.78 0.00 0.00 0.00 178.15 176.97 2dj3 h ASP 114 N -1.11 -1.40 -0.73 1.72 3.58 -1.70 0.76 116.42 117.54 2dj3 h ASP 114 Ca -0.08 0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.62 2dj3 h ASP 114 Cb 0.58 0.56 -0.09 0.00 1.72 0.00 0.00 39.33 42.09 2dj3 h ASP 114 CO 0.13 -0.45 -0.43 -0.62 -2.88 0.00 0.00 179.24 174.98 2dj3 n GLU 115 N -5.44 -0.32 0.19 0.28 -0.58 -1.25 0.18 120.64 113.69 2dj3 n GLU 115 Ca -0.05 1.15 0.07 0.00 -0.42 0.00 0.00 57.16 57.91 2dj3 n GLU 115 Cb 0.37 -1.69 0.30 0.00 -0.57 0.00 0.00 31.44 29.85 2dj3 n GLU 115 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2dj3 h HIS 116 N 0.00 0.00 -1.66 -0.32 3.86 -1.42 -3.45 115.15 112.15 2dj3 h HIS 116 Ca 0.12 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.18 2dj3 h HIS 116 Cb 0.30 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.86 2dj3 h HIS 116 CO -0.79 0.33 -0.07 0.00 0.86 0.00 0.00 177.93 178.26 2dj3 n ALA 117 N -2.24 -2.10 -0.51 2.45 0.00 0.47 -4.84 120.51 113.74 2dj3 n ALA 117 Ca 0.01 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.67 2dj3 n ALA 117 Cb 0.54 -0.05 0.09 0.00 0.00 0.00 0.00 19.45 20.02 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 -4.04 2.49 -1.89 0.00 -1.04 -1.26 -4.84 114.28 103.70 2dj3 n THR 118 Ca 0.05 -1.36 0.00 0.00 -2.04 0.00 0.00 64.05 60.71 2dj3 n THR 118 Cb 0.24 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 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 -0.34 -2.24 -0.04 -2.82 4.81 -1.26 -4.70 118.16 111.58 2dj3 n LYS 119 Ca 0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.79 2dj3 n LYS 119 Cb 1.04 -3.98 0.26 0.00 0.02 0.00 0.00 35.03 32.38 2dj3 n LYS 119 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2dj3 h ARG 120 N 0.00 0.61 -6.16 1.64 0.11 -1.92 -3.39 114.38 105.26 2dj3 h ARG 120 Ca 0.00 -0.13 -0.52 0.00 0.10 0.00 0.00 59.98 59.43 2dj3 h ARG 120 Cb 0.63 -0.09 -0.06 0.00 1.11 0.00 0.00 29.97 31.57 2dj3 h ARG 120 CO 0.00 0.61 1.20 -1.54 0.10 0.00 0.00 179.97 180.34 2dj3 s SER 121 N -6.70 5.74 -0.34 0.08 1.04 -1.26 -4.94 113.70 107.32 2dj3 s SER 121 Ca -0.08 -0.13 -0.28 0.00 0.48 0.00 0.00 55.95 55.94 2dj3 s SER 121 Cb 0.15 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 2dj3 s SER 121 CO 0.78 -2.10 2.04 -0.60 0.98 0.00 0.00 173.24 174.34 2dj3 s ARG 122 N 6.34 3.01 -0.20 4.02 6.06 -1.26 -4.93 118.95 132.00 2dj3 s ARG 122 Ca 0.51 1.56 -0.17 0.00 -2.50 0.00 0.00 55.73 55.13 2dj3 s ARG 122 Cb -0.10 -4.34 0.05 0.00 0.06 0.00 0.00 34.95 30.63 2dj3 s ARG 122 CO 0.16 -2.24 0.51 0.95 -2.50 0.00 0.00 175.30 172.18 2dj3 s THR 123 N 8.39 -0.00 -1.54 4.11 -4.23 -1.26 -5.06 115.64 116.04 2dj3 s THR 123 Ca 0.88 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 61.29 2dj3 s THR 123 Cb -0.24 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 2dj3 s THR 123 CO 0.32 0.01 2.66 0.29 -0.54 0.00 0.00 174.62 177.35 2dj3 n LYS 124 N 3.10 3.32 -3.76 3.99 4.01 -1.26 -4.79 118.16 122.78 2dj3 n LYS 124 Ca -0.15 -2.34 -0.33 0.00 -0.51 0.00 0.00 58.31 54.98 2dj3 n LYS 124 Cb 0.56 -2.98 -0.10 0.00 -0.51 0.00 0.00 35.03 32.00 2dj3 n LYS 124 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2dj3 s GLU 125 N 2.62 2.74 -0.14 1.97 -6.30 -1.26 -5.04 118.70 113.30 2dj3 s GLU 125 Ca 0.60 -3.04 0.00 0.00 -2.50 0.00 0.00 54.97 50.04 2dj3 s GLU 125 Cb 0.16 -3.69 0.02 0.00 0.00 0.00 0.00 34.13 30.63 2dj3 s GLU 125 CO -0.07 -1.23 -0.11 -2.00 0.02 0.00 0.00 175.26 171.87 2dj3 s GLU 126 N -0.94 1.99 -0.19 4.30 2.56 -1.26 -5.10 118.70 120.06 2dj3 s GLU 126 Ca 0.23 -0.45 -0.02 0.00 0.00 0.00 0.00 54.97 54.72 2dj3 s GLU 126 Cb -0.12 -1.93 0.06 0.00 2.00 0.00 0.00 34.13 34.14 2dj3 s GLU 126 CO -0.10 -0.26 0.02 -0.51 -0.56 0.00 0.00 175.26 173.86 2dj3 s LEU 127 N 1.57 1.31 -0.16 2.70 1.43 -1.26 -5.02 118.68 119.25 2dj3 s LEU 127 Ca 0.05 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.17 2dj3 s LEU 127 Cb -0.13 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 2dj3 s LEU 127 CO -0.10 -0.29 -0.28 -1.20 0.23 0.00 0.00 176.35 174.71 2dj3 n SER 128 N 5.01 1.86 0.00 2.29 7.64 -1.26 -5.13 113.62 124.03 2dj3 n SER 128 Ca -0.09 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2dj3 n SER 128 Cb 0.47 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2dj3 n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj3 n GLY 129 N 1.52 0.35 3.76 0.23 0.00 -1.26 -5.05 105.19 104.75 2dj3 n GLY 129 Ca -0.11 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.21 2dj3 n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dj3 s PRO 130 N 0.00 4.46 -0.01 1.61 0.04 -1.26 -4.96 135.00 134.88 2dj3 s PRO 130 Ca 0.00 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 2dj3 s PRO 130 Cb 0.00 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 2dj3 s PRO 130 CO 0.00 -0.06 1.57 -1.54 0.04 0.00 0.00 177.00 177.01 2dj3 s SER 131 N -0.49 6.71 -1.04 6.66 1.04 -1.26 -4.95 113.70 120.36 2dj3 s SER 131 Ca 0.49 2.26 -0.12 0.00 0.48 0.00 0.00 55.95 59.06 2dj3 s SER 131 Cb -0.37 -2.55 0.24 0.00 0.10 0.00 0.00 66.02 63.44 2dj3 s SER 131 CO 0.47 -0.85 1.08 -0.44 0.98 0.00 0.00 173.24 174.47 2dj3 s SER 132 N 2.60 7.10 0.00 7.02 0.01 -1.26 -5.33 113.70 123.84 2dj3 s SER 132 Ca 0.70 -3.17 0.00 0.00 1.31 0.00 0.00 55.95 54.79 2dj3 s SER 132 Cb -0.34 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2dj3 s SER 132 CO 0.29 -0.48 0.21 0.61 0.41 0.00 0.00 173.24 174.28