#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 5.75 0.19 1.61 1.04 -1.26 -5.10 113.70 115.94 2dj3 s SER 2 Ca 0.00 -0.28 -0.19 0.00 0.48 0.00 0.00 55.95 55.96 2dj3 s SER 2 Cb 0.00 -1.17 -0.08 0.00 0.10 0.00 0.00 66.02 64.87 2dj3 s SER 2 CO 0.00 -0.39 0.69 -0.55 0.98 0.00 0.00 173.24 173.98 2dj3 s SER 3 N -4.10 7.06 -0.58 7.02 0.15 -1.26 -5.03 113.70 116.96 2dj3 s SER 3 Ca 0.43 1.38 -0.22 0.00 0.70 0.00 0.00 55.95 58.24 2dj3 s SER 3 Cb -0.08 -2.40 0.06 0.00 -1.71 0.00 0.00 66.02 61.88 2dj3 s SER 3 CO 0.29 0.08 0.86 -0.83 1.20 0.00 0.00 173.24 174.84 2dj3 s GLY 4 N -1.57 1.51 -0.23 9.45 0.00 -1.26 -4.84 107.32 110.38 2dj3 s GLY 4 Ca 0.40 -1.65 0.05 0.00 0.00 0.00 0.00 44.72 43.52 2dj3 s GLY 4 CO 0.21 1.89 -0.11 -1.14 0.00 0.00 0.00 173.10 173.95 2dj3 n SER 5 N 7.17 1.55 -4.07 1.64 3.41 -1.26 -4.84 113.62 117.21 2dj3 n SER 5 Ca -0.03 -0.07 -0.33 0.00 -0.26 0.00 0.00 58.87 58.18 2dj3 n SER 5 Cb 0.46 -0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 64.13 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 -6.33 4.81 0.30 4.04 0.15 -1.26 -5.02 113.70 110.40 2dj3 s SER 6 Ca -0.28 -1.83 0.00 0.00 0.70 0.00 0.00 55.95 54.53 2dj3 s SER 6 Cb 0.08 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2dj3 s SER 6 CO 0.66 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2dj3 n GLY 7 N 4.41 -3.64 0.25 9.45 0.00 -1.26 -4.78 105.19 109.62 2dj3 n GLY 7 Ca -0.04 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2dj3 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj3 h PRO 8 N 0.41 0.86 -6.23 1.61 0.13 -1.93 -3.43 132.00 123.41 2dj3 h PRO 8 Ca 0.00 -0.45 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 2dj3 h PRO 8 Cb 0.31 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 2dj3 h PRO 8 CO 0.00 1.09 0.91 0.08 -0.23 0.00 0.00 178.00 179.85 2dj3 s VAL 9 N -4.39 4.02 0.29 1.56 1.01 -1.26 -4.66 120.40 116.96 2dj3 s VAL 9 Ca -0.12 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.87 2dj3 s VAL 9 Cb 0.10 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2dj3 s VAL 9 CO 0.86 -0.08 1.00 -0.75 0.00 0.00 0.00 175.10 176.13 2dj3 s LYS 10 N 3.26 4.66 -0.15 2.72 2.20 -1.13 -4.85 119.74 126.45 2dj3 s LYS 10 Ca 0.61 1.56 -0.09 0.00 -0.36 0.00 0.00 55.97 57.68 2dj3 s LYS 10 Cb -0.26 -3.08 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2dj3 s LYS 10 CO 0.21 0.31 0.16 0.14 -0.36 0.00 0.00 175.35 175.80 2dj3 s VAL 11 N -1.31 5.43 0.00 4.02 -7.23 -1.26 0.10 120.40 120.15 2dj3 s VAL 11 Ca 0.46 0.26 0.06 0.00 -1.81 0.00 0.00 61.98 60.94 2dj3 s VAL 11 Cb -0.26 -3.46 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 2dj3 s VAL 11 CO 0.33 0.52 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.76 2dj3 s VAL 12 N -0.28 1.44 0.33 1.32 1.01 0.10 -4.90 120.40 119.43 2dj3 s VAL 12 Ca 0.12 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2dj3 s VAL 12 Cb -0.12 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.07 2dj3 s VAL 12 CO 0.02 0.33 0.19 1.33 0.00 0.00 0.00 175.10 176.97 2dj3 n VAL 13 N 2.42 0.00 0.60 2.92 0.24 -1.26 -4.22 118.33 119.03 2dj3 n VAL 13 Ca -0.16 -1.36 0.09 0.00 -2.04 0.00 0.00 64.34 60.88 2dj3 n VAL 13 Cb 0.54 -0.10 0.41 0.00 -1.47 0.00 0.00 33.84 33.21 2dj3 n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dj3 n GLY 14 N 1.04 -1.18 0.07 7.63 0.00 -1.26 0.25 105.19 111.74 2dj3 n GLY 14 Ca -0.04 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2dj3 n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dj3 n LYS 15 N -1.62 0.50 -0.09 1.61 2.85 -1.26 -4.21 118.16 115.94 2dj3 n LYS 15 Ca 0.04 0.03 0.02 0.00 -1.05 0.00 0.00 58.31 57.35 2dj3 n LYS 15 Cb 0.23 -1.70 0.02 0.00 -0.65 0.00 0.00 35.03 32.93 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 -2.36 0.68 0.13 0.58 -2.24 -1.00 -4.82 114.28 105.25 2dj3 n THR 16 Ca 0.00 -0.74 -0.12 0.00 -2.27 0.00 0.00 64.05 60.92 2dj3 n THR 16 Cb 0.51 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.35 0.00 4.78 3.04 -0.37 0.89 116.94 124.93 2dj3 h PHE 17 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2dj3 h PHE 17 Cb 0.88 0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.51 2dj3 h PHE 17 CO 0.02 -0.00 0.00 -0.25 -2.02 0.00 0.00 178.31 176.05 2dj3 n ASP 18 N -5.06 0.00 -0.12 0.41 8.00 -1.26 -1.09 116.55 117.43 2dj3 n ASP 18 Ca -0.08 0.21 -0.24 0.00 0.71 0.00 0.00 54.79 55.38 2dj3 n ASP 18 Cb 0.26 -0.34 -0.11 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.34 1.19 -0.00 2.24 0.00 -1.15 -4.24 120.51 117.21 2dj3 n ALA 19 Ca 0.05 -0.98 -0.00 0.00 0.00 0.00 0.00 53.44 52.51 2dj3 n ALA 19 Cb 0.10 -0.11 -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 -3.90 0.04 0.20 0.00 5.41 0.30 -3.40 119.36 118.02 2dj3 n ILE 20 Ca -0.47 0.49 0.16 0.00 1.00 0.00 0.00 62.75 63.94 2dj3 n ILE 20 Cb 0.91 -1.53 0.67 0.00 -0.71 0.00 0.00 39.64 38.98 2dj3 n ILE 20 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dj3 h VAL 21 N -0.03 0.13 -0.57 1.39 2.07 -1.25 0.43 116.25 118.43 2dj3 h VAL 21 Ca 0.00 0.00 -0.40 0.00 0.82 0.00 0.00 66.70 67.12 2dj3 h VAL 21 Cb 0.02 0.53 -0.28 0.00 -1.52 0.00 0.00 31.29 30.04 2dj3 h VAL 21 CO 0.00 0.00 -0.46 0.23 0.02 0.00 0.00 177.57 177.36 2dj3 n MET 22 N -3.16 2.84 -2.85 1.57 2.81 -0.67 -4.68 117.12 112.97 2dj3 n MET 22 Ca 0.04 -3.75 -0.43 0.00 -1.81 0.00 0.00 57.70 51.74 2dj3 n MET 22 Cb 0.64 -2.08 -0.04 0.00 -0.71 0.00 0.00 33.22 31.02 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 -3.18 6.47 0.00 7.83 -1.08 0.15 -4.69 116.67 122.17 2dj3 s ASP 23 Ca 0.49 0.03 0.14 0.00 -0.52 0.00 0.00 52.55 52.69 2dj3 s ASP 23 Cb 0.41 -2.44 0.82 0.00 -1.46 0.00 0.00 42.92 40.26 2dj3 s ASP 23 CO 0.01 -1.04 1.24 -0.81 0.52 0.00 0.00 175.17 175.09 2dj3 n PRO 24 N 7.10 0.48 0.10 4.34 -0.04 -1.26 -2.22 135.00 143.50 2dj3 n PRO 24 Ca 0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2dj3 n PRO 24 Cb 0.48 -1.45 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.92 -3.41 116.57 112.05 2dj3 h LYS 25 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 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 0.75 -1.59 -0.57 0.00 0.00 179.45 178.04 2dj3 s LYS 26 N -3.21 0.33 0.53 3.15 -2.85 -0.94 -4.93 119.74 111.81 2dj3 s LYS 26 Ca 0.05 0.08 -0.21 0.00 -1.00 0.00 0.00 55.97 54.90 2dj3 s LYS 26 Cb 0.11 0.15 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 2dj3 s LYS 26 CO 0.71 -0.10 1.25 -0.51 0.10 0.00 0.00 175.35 176.80 2dj3 s ASP 27 N -1.04 5.56 -0.11 0.03 1.01 -0.85 -4.34 116.67 116.92 2dj3 s ASP 27 Ca 0.04 2.49 -0.04 0.00 0.71 0.00 0.00 52.55 55.75 2dj3 s ASP 27 Cb -0.01 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.36 2dj3 s ASP 27 CO -0.03 -1.35 0.13 -0.69 0.21 0.00 0.00 175.17 173.44 2dj3 s VAL 28 N -1.47 -0.19 -0.61 -1.27 1.01 -0.78 -2.96 120.40 114.13 2dj3 s VAL 28 Ca 0.70 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.63 2dj3 s VAL 28 Cb -0.33 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 35.72 2dj3 s VAL 28 CO 0.39 0.00 0.99 -0.22 0.00 0.00 0.00 175.10 176.26 2dj3 s LEU 29 N 2.23 4.10 -0.08 3.92 2.96 -1.22 -2.05 118.68 128.54 2dj3 s LEU 29 Ca 0.04 -0.60 -0.19 0.00 -0.22 0.00 0.00 54.13 53.16 2dj3 s LEU 29 Cb -0.14 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 2dj3 s LEU 29 CO -0.07 -1.38 0.51 -0.51 -1.32 0.00 0.00 176.35 173.58 2dj3 s ILE 30 N 4.20 5.10 -0.26 6.68 1.10 0.15 -2.30 121.20 135.89 2dj3 s ILE 30 Ca 0.28 1.03 0.02 0.00 -0.51 0.00 0.00 60.65 61.47 2dj3 s ILE 30 Cb -0.14 -3.84 0.06 0.00 0.15 0.00 0.00 42.46 38.69 2dj3 s ILE 30 CO 0.15 0.37 -0.09 -0.70 -2.11 0.00 0.00 174.94 172.57 2dj3 s GLU 31 N 0.25 2.02 -0.46 3.50 2.12 -1.07 0.61 118.70 125.68 2dj3 s GLU 31 Ca 0.27 -1.27 -0.29 0.00 0.36 0.00 0.00 54.97 54.05 2dj3 s GLU 31 Cb -0.16 -2.81 0.01 0.00 0.26 0.00 0.00 34.13 31.43 2dj3 s GLU 31 CO 0.13 -0.60 1.39 -0.06 -0.54 0.00 0.00 175.26 175.58 2dj3 s PHE 32 N 1.18 2.40 0.13 5.30 0.08 0.25 -2.77 117.98 124.55 2dj3 s PHE 32 Ca -0.07 0.63 0.05 0.00 0.12 0.00 0.00 56.93 57.66 2dj3 s PHE 32 Cb -0.20 -4.35 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 2dj3 s PHE 32 CO -0.06 -1.91 0.03 1.52 -0.10 0.00 0.00 175.22 174.70 2dj3 s TYR 33 N 5.54 3.00 -0.19 0.36 -0.85 -1.08 -2.35 117.35 121.77 2dj3 s TYR 33 Ca 0.58 -0.04 -0.02 0.00 -0.52 0.00 0.00 57.07 57.06 2dj3 s TYR 33 Cb -0.12 -1.50 -0.00 0.00 0.38 0.00 0.00 41.96 40.72 2dj3 s TYR 33 CO 0.31 0.50 -0.10 0.00 -1.52 0.00 0.00 175.55 174.74 2dj3 s ALA 34 N -1.51 2.66 -1.70 9.51 0.00 -1.26 -4.19 121.76 125.26 2dj3 s ALA 34 Ca 0.28 -1.12 0.15 0.00 0.00 0.00 0.00 51.96 51.27 2dj3 s ALA 34 Cb -0.11 -1.48 0.83 0.00 0.00 0.00 0.00 23.12 22.37 2dj3 s ALA 34 CO 0.20 -0.26 1.37 -0.35 0.00 0.00 0.00 175.76 176.72 2dj3 n PRO 35 N 4.48 0.34 -0.04 0.00 -0.04 -1.26 -1.95 135.00 136.53 2dj3 n PRO 35 Ca -0.19 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.39 2dj3 n PRO 35 Cb 0.51 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.15 0.00 -4.56 0.54 4.27 -1.26 -4.99 117.44 110.29 2dj3 n TRP 36 Ca 0.09 -0.69 -0.33 0.00 -3.89 0.00 0.00 57.50 52.68 2dj3 n TRP 36 Cb 0.09 -0.09 -0.16 0.00 -1.36 0.00 0.00 31.31 29.78 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 7.44 0.76 1.51 0.00 0.00 -1.94 -2.06 103.07 108.78 2dj3 h GLY 38 Ca -0.35 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.54 2dj3 h GLY 38 CO 0.57 0.41 0.17 1.42 0.00 0.00 0.00 176.54 179.12 2dj3 n HIS 39 N -4.28 0.46 0.00 5.60 8.25 -1.26 -0.92 115.22 123.07 2dj3 n HIS 39 Ca 0.03 0.24 -0.21 0.00 -0.26 0.00 0.00 57.72 57.52 2dj3 n HIS 39 Cb 0.23 -0.76 -0.14 0.00 1.12 0.00 0.00 29.99 30.44 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 -0.40 0.00 -0.04 0.00 2.10 -1.12 0.41 116.57 117.51 2dj3 h LYS 41 Ca -0.27 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.26 2dj3 h LYS 41 Cb 1.67 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.01 2dj3 h LYS 41 CO 0.05 0.00 -0.46 1.96 -2.00 0.00 0.00 179.45 179.00 2dj3 h GLN 42 N 0.00 0.39 0.00 0.07 1.08 -1.65 -3.21 115.11 111.79 2dj3 h GLN 42 Ca 0.24 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2dj3 h GLN 42 Cb 1.10 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2dj3 h GLN 42 CO -0.00 1.02 0.00 1.25 -0.95 0.00 0.00 178.83 180.15 2dj3 h LEU 43 N -0.11 0.00 -0.67 1.46 5.85 -1.16 -3.34 115.31 117.34 2dj3 h LEU 43 Ca -0.05 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2dj3 h LEU 43 Cb 1.15 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 2dj3 h LEU 43 CO 0.09 0.00 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.36 2dj3 h GLU 44 N 0.00 -0.13 -0.34 1.25 4.39 -0.27 0.51 114.58 119.98 2dj3 h GLU 44 Ca 0.00 0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 2dj3 h GLU 44 Cb 0.77 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2dj3 h GLU 44 CO 0.00 -0.09 -0.40 -1.00 -1.16 0.00 0.00 179.01 176.36 2dj3 h PRO 45 N -0.14 0.83 -0.65 2.33 0.13 -1.75 -2.36 132.00 130.39 2dj3 h PRO 45 Ca 0.11 -0.44 0.04 0.00 -0.87 0.00 0.00 66.00 64.84 2dj3 h PRO 45 Cb 0.42 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.53 2dj3 h PRO 45 CO -0.70 1.07 0.43 0.82 -0.23 0.00 0.00 178.00 179.39 2dj3 h ILE 46 N 0.68 1.07 0.12 -3.56 2.04 -1.40 -2.14 117.51 114.33 2dj3 h ILE 46 Ca 0.05 -0.26 -0.27 0.00 1.00 0.00 0.00 64.86 65.39 2dj3 h ILE 46 Cb 0.97 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2dj3 h ILE 46 CO 0.09 0.14 -1.21 0.22 0.00 0.00 0.00 178.15 177.39 2dj3 h TYR 47 N 0.75 0.60 0.01 1.37 3.20 0.05 -3.10 116.97 119.85 2dj3 h TYR 47 Ca 0.26 -0.41 0.02 0.00 3.14 0.00 0.00 58.73 61.73 2dj3 h TYR 47 Cb 0.11 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 2dj3 h TYR 47 CO -0.00 1.30 -0.42 1.15 -1.64 0.00 0.00 178.16 178.55 2dj3 h THR 48 N 0.12 0.00 -0.37 1.81 2.02 -0.84 -1.04 112.91 114.62 2dj3 h THR 48 Ca -0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2dj3 h THR 48 Cb 1.91 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2dj3 h THR 48 CO 0.21 0.00 0.17 0.28 0.37 0.00 0.00 175.52 176.55 2dj3 h SER 49 N -0.53 0.45 0.02 4.18 0.02 -1.66 -1.04 113.55 114.99 2dj3 h SER 49 Ca 0.01 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2dj3 h SER 49 Cb 0.56 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 2dj3 h SER 49 CO -0.28 0.40 -0.01 0.25 -1.14 0.00 0.00 176.83 176.05 2dj3 h LEU 50 N 0.51 0.00 0.00 5.07 5.85 -1.20 -0.72 115.31 124.83 2dj3 h LEU 50 Ca 0.13 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2dj3 h LEU 50 Cb 0.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2dj3 h LEU 50 CO -0.02 0.01 -0.97 0.61 -0.34 0.00 0.00 178.44 177.73 2dj3 n GLY 51 N -1.26 -0.78 0.40 3.75 0.00 -0.47 -3.37 105.19 103.46 2dj3 n GLY 51 Ca -0.03 -0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 0.29 -0.05 1.61 2.10 -1.34 0.95 116.57 119.13 2dj3 h LYS 52 Ca -0.13 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.39 2dj3 h LYS 52 Cb 0.88 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 32.15 2dj3 h LYS 52 CO -0.08 0.19 -0.41 1.57 -2.00 0.00 0.00 179.45 178.73 2dj3 h LYS 53 N 0.30 0.37 -0.00 0.07 2.10 -1.32 -3.15 116.57 114.93 2dj3 h LYS 53 Ca 0.41 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2dj3 h LYS 53 Cb 1.13 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2dj3 h LYS 53 CO -0.11 0.98 -0.01 0.66 -2.00 0.00 0.00 179.45 178.97 2dj3 n TYR 54 N -4.35 0.00 0.30 0.07 4.02 -0.39 -3.62 117.16 113.19 2dj3 n TYR 54 Ca -0.09 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 57.99 2dj3 n TYR 54 Cb 0.56 -0.03 0.91 0.00 -0.02 0.00 0.00 39.34 40.75 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 -0.78 -0.72 5.09 0.91 -1.95 116.57 119.82 2dj3 h LYS 55 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 2dj3 h LYS 55 Cb 0.18 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.50 2dj3 h LYS 55 CO 0.00 0.03 0.02 0.41 -2.09 0.00 0.00 179.45 177.82 2dj3 n GLY 56 N -0.55 2.39 3.98 0.07 0.00 -1.24 -4.91 105.19 104.93 2dj3 n GLY 56 Ca -0.01 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.98 2.35 -0.25 1.61 -1.52 -0.73 -5.08 119.66 114.06 2dj3 s GLN 57 Ca 0.31 -0.87 -0.12 0.00 -1.95 0.00 0.00 55.36 52.72 2dj3 s GLN 57 Cb 0.24 -2.46 -0.05 0.00 -0.22 0.00 0.00 33.01 30.52 2dj3 s GLN 57 CO 0.09 -0.88 0.25 0.21 -0.25 0.00 0.00 175.29 174.71 2dj3 s LYS 58 N -4.84 4.05 -1.38 2.91 2.47 -1.26 -4.36 119.74 117.33 2dj3 s LYS 58 Ca 0.59 -0.13 -0.07 0.00 -1.56 0.00 0.00 55.97 54.80 2dj3 s LYS 58 Cb -0.09 -3.59 0.03 0.00 -1.46 0.00 0.00 37.83 32.72 2dj3 s LYS 58 CO 0.40 -0.08 0.97 -0.25 0.16 0.00 0.00 175.35 176.54 2dj3 n ASP 59 N 4.71 -3.82 -3.65 1.43 8.00 -1.26 -4.94 116.55 117.02 2dj3 n ASP 59 Ca -0.12 -0.70 -0.17 0.00 0.71 0.00 0.00 54.79 54.50 2dj3 n ASP 59 Cb 0.52 -4.43 -0.16 0.00 -0.02 0.00 0.00 41.12 37.03 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 -6.98 -0.05 -0.19 0.64 2.96 -1.26 -2.01 118.68 111.78 2dj3 s LEU 60 Ca 0.36 0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 2dj3 s LEU 60 Cb -0.17 0.25 0.06 0.00 0.50 0.00 0.00 46.19 46.82 2dj3 s LEU 60 CO 0.78 -0.26 0.04 -0.69 -1.32 0.00 0.00 176.35 174.90 2dj3 s VAL 61 N 2.29 0.49 -0.63 1.68 1.01 -1.15 -4.67 120.40 119.40 2dj3 s VAL 61 Ca 0.03 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 2dj3 s VAL 61 Cb -0.13 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.29 2dj3 s VAL 61 CO -0.06 -0.20 1.25 -0.63 0.00 0.00 0.00 175.10 175.45 2dj3 s ILE 62 N 1.88 3.89 0.33 2.22 1.01 -1.26 -3.39 121.20 125.87 2dj3 s ILE 62 Ca -0.01 0.71 0.09 0.00 0.00 0.00 0.00 60.65 61.45 2dj3 s ILE 62 Cb -0.17 -4.77 -0.05 0.00 0.01 0.00 0.00 42.46 37.48 2dj3 s ILE 62 CO -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 174.94 173.36 2dj3 s ALA 63 N 5.35 3.18 0.19 9.38 0.00 -0.97 -2.83 121.76 136.06 2dj3 s ALA 63 Ca 0.41 -1.95 0.04 0.00 0.00 0.00 0.00 51.96 50.46 2dj3 s ALA 63 Cb -0.08 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2dj3 s ALA 63 CO 0.22 0.08 -0.04 -1.59 0.00 0.00 0.00 175.76 174.43 2dj3 s LYS 64 N -3.71 1.20 -0.01 0.00 -2.85 0.11 -2.58 119.74 111.91 2dj3 s LYS 64 Ca 0.34 -1.57 -0.21 0.00 -1.00 0.00 0.00 55.97 53.53 2dj3 s LYS 64 Cb -0.00 -0.58 0.04 0.00 -2.06 0.00 0.00 37.83 35.23 2dj3 s LYS 64 CO 0.19 -0.03 0.46 1.41 0.10 0.00 0.00 175.35 177.48 2dj3 s MET 65 N -3.82 0.87 -0.46 1.78 1.75 -1.11 0.02 119.30 118.33 2dj3 s MET 65 Ca 0.23 -0.08 -0.20 0.00 -1.25 0.00 0.00 55.69 54.39 2dj3 s MET 65 Cb 0.04 0.40 0.03 0.00 2.84 0.00 0.00 34.83 38.14 2dj3 s MET 65 CO 0.05 -0.27 0.61 -0.51 -0.65 0.00 0.00 175.02 174.25 2dj3 s ASP 66 N -1.46 6.27 0.25 1.11 1.11 -1.26 -2.65 116.67 120.05 2dj3 s ASP 66 Ca -0.11 -0.55 0.25 0.00 0.18 0.00 0.00 52.55 52.33 2dj3 s ASP 66 Cb -0.02 -2.30 0.89 0.00 1.07 0.00 0.00 42.92 42.56 2dj3 s ASP 66 CO 0.04 -0.78 1.75 0.00 1.18 0.00 0.00 175.17 177.36 2dj3 h ALA 67 N 8.89 1.00 0.00 5.23 0.00 -1.77 -0.19 119.26 132.42 2dj3 h ALA 67 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dj3 h ALA 67 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2dj3 h ALA 67 CO 0.90 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.40 2dj3 n THR 68 N -2.32 0.18 0.00 0.00 -2.24 -1.26 -4.05 114.28 104.59 2dj3 n THR 68 Ca 0.04 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2dj3 n THR 68 Cb 0.34 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2dj3 n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dj3 n ALA 69 N -1.42 2.23 -2.61 6.98 0.00 -1.08 -5.02 120.51 119.58 2dj3 n ALA 69 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 2dj3 n ALA 69 Cb 0.27 0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 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 -4.01 6.33 0.06 0.00 0.01 -0.10 -5.02 114.94 112.21 2dj3 s ASN 70 Ca 0.00 0.39 -0.31 0.00 -0.71 0.00 0.00 52.86 52.24 2dj3 s ASN 70 Cb 0.00 -2.24 -0.06 0.00 0.41 0.00 0.00 41.25 39.37 2dj3 s ASN 70 CO 0.00 -0.21 1.20 -0.62 -1.51 0.00 0.00 177.10 175.96 2dj3 s ASP 71 N 1.55 7.07 -1.09 -1.22 2.15 -1.26 -4.43 116.67 119.44 2dj3 s ASP 71 Ca 0.18 2.02 -0.13 0.00 0.43 0.00 0.00 52.55 55.04 2dj3 s ASP 71 Cb -0.16 -2.58 0.20 0.00 -0.30 0.00 0.00 42.92 40.09 2dj3 s ASP 71 CO 0.09 -0.48 1.22 -0.63 -0.17 0.00 0.00 175.17 175.20 2dj3 s ILE 72 N 1.10 5.33 0.54 4.11 1.01 -1.26 -4.85 121.20 127.18 2dj3 s ILE 72 Ca 0.59 -2.67 0.32 0.00 0.00 0.00 0.00 60.65 58.89 2dj3 s ILE 72 Cb -0.30 -4.75 0.49 0.00 0.01 0.00 0.00 42.46 37.91 2dj3 s ILE 72 CO 0.29 -1.41 1.88 0.71 0.00 0.00 0.00 174.94 176.41 2dj3 h THR 73 N 4.58 0.53 -2.47 2.92 1.35 -1.94 -3.41 112.91 114.47 2dj3 h THR 73 Ca 0.23 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.55 2dj3 h THR 73 Cb 0.92 0.54 0.04 0.00 -1.73 0.00 0.00 68.15 67.92 2dj3 h THR 73 CO 1.10 0.00 1.07 0.59 -0.25 0.00 0.00 175.52 178.03 2dj3 n ASN 74 N -4.23 3.94 -0.62 5.36 4.13 -1.26 -4.85 115.26 117.72 2dj3 n ASN 74 Ca 0.19 1.00 0.03 0.00 1.68 0.00 0.00 54.58 57.48 2dj3 n ASN 74 Cb 0.98 -1.53 0.11 0.00 -1.54 0.00 0.00 39.78 37.80 2dj3 n ASN 74 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2dj3 n ASP 75 N 5.29 1.71 -0.10 6.41 2.03 -1.26 -3.65 116.55 126.98 2dj3 n ASP 75 Ca 0.18 -2.10 -0.12 0.00 0.52 0.00 0.00 54.79 53.26 2dj3 n ASP 75 Cb 0.36 -0.30 -0.12 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.20 0.83 -3.53 -0.67 1.13 -1.26 -4.88 117.38 109.20 2dj3 n GLN 76 Ca 0.08 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.79 2dj3 n GLN 76 Cb 0.32 -1.46 -0.11 0.00 0.11 0.00 0.00 30.24 29.11 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 -2.44 3.24 -0.10 1.08 1.51 -1.24 -4.75 117.35 114.64 2dj3 s TYR 77 Ca -0.20 -0.64 0.02 0.00 -1.01 0.00 0.00 57.07 55.24 2dj3 s TYR 77 Cb 0.07 -2.51 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 2dj3 s TYR 77 CO 0.62 -0.56 -0.18 0.15 -1.11 0.00 0.00 175.55 174.47 2dj3 s LYS 78 N 1.64 3.05 -0.62 -0.62 1.02 -1.26 -4.87 119.74 118.08 2dj3 s LYS 78 Ca 0.04 -0.77 -0.09 0.00 0.02 0.00 0.00 55.97 55.17 2dj3 s LYS 78 Cb -0.19 -2.43 0.16 0.00 -0.52 0.00 0.00 37.83 34.85 2dj3 s LYS 78 CO 0.09 0.28 0.50 0.08 -0.92 0.00 0.00 175.35 175.38 2dj3 s VAL 79 N 0.13 4.46 -0.16 3.17 1.01 -1.26 -4.86 120.40 122.89 2dj3 s VAL 79 Ca -0.09 -2.36 0.21 0.00 0.00 0.00 0.00 61.98 59.74 2dj3 s VAL 79 Cb -0.15 -3.86 -0.13 0.00 0.00 0.00 0.00 36.38 32.23 2dj3 s VAL 79 CO 0.06 -0.88 0.81 -0.62 0.00 0.00 0.00 175.10 174.46 2dj3 n GLU 80 N 4.19 0.63 -3.64 2.72 -0.58 -1.26 -4.95 120.64 117.75 2dj3 n GLU 80 Ca 0.03 0.04 -0.08 0.00 -0.42 0.00 0.00 57.16 56.73 2dj3 n GLU 80 Cb 0.41 -1.73 -0.07 0.00 -0.57 0.00 0.00 31.44 29.49 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2dj3 s GLY 81 N -4.52 -0.29 0.12 0.62 0.00 -1.26 -5.17 107.32 96.81 2dj3 s GLY 81 Ca -0.03 2.59 -0.00 0.00 0.00 0.00 0.00 44.72 47.28 2dj3 s GLY 81 CO 0.83 2.09 0.29 -1.36 0.00 0.00 0.00 173.10 174.94 2dj3 s PHE 82 N 0.77 3.50 1.08 1.90 0.40 -1.26 -4.12 117.98 120.24 2dj3 s PHE 82 Ca -0.03 0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 56.45 2dj3 s PHE 82 Cb -0.05 -1.80 0.23 0.00 0.51 0.00 0.00 43.02 41.91 2dj3 s PHE 82 CO -0.09 0.51 1.10 -1.25 0.70 0.00 0.00 175.22 176.19 2dj3 s PRO 83 N -2.82 -0.21 -0.26 0.24 0.04 -1.26 -4.83 135.00 125.89 2dj3 s PRO 83 Ca 0.37 0.30 -0.01 0.00 0.04 0.00 0.00 61.00 61.69 2dj3 s PRO 83 Cb -0.12 -1.68 0.14 0.00 0.04 0.00 0.00 34.50 32.88 2dj3 s PRO 83 CO 0.28 -3.11 0.40 0.99 0.04 0.00 0.00 177.00 175.59 2dj3 s THR 84 N -2.98 -0.64 -0.07 1.26 2.01 -0.99 -4.99 115.64 109.24 2dj3 s THR 84 Ca 0.67 -0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.49 2dj3 s THR 84 Cb -0.16 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2dj3 s THR 84 CO 0.57 -0.16 0.17 -0.63 -0.69 0.00 0.00 174.62 173.89 2dj3 s ILE 85 N 2.56 5.45 -0.07 1.82 1.01 -1.26 0.84 121.20 131.56 2dj3 s ILE 85 Ca 0.12 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 2dj3 s ILE 85 Cb -0.15 -3.47 0.04 0.00 0.01 0.00 0.00 42.46 38.89 2dj3 s ILE 85 CO -0.20 0.51 0.15 -0.31 0.00 0.00 0.00 174.94 175.09 2dj3 s TYR 86 N -1.14 -0.17 -0.33 3.97 2.02 0.20 -2.86 117.35 119.03 2dj3 s TYR 86 Ca 0.20 0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 57.28 2dj3 s TYR 86 Cb -0.12 -0.05 -0.01 0.00 -0.40 0.00 0.00 41.96 41.37 2dj3 s TYR 86 CO 0.10 -0.16 0.19 0.12 -1.57 0.00 0.00 175.55 174.23 2dj3 s PHE 87 N 1.00 3.20 -0.60 2.71 2.19 -0.71 0.35 117.98 126.12 2dj3 s PHE 87 Ca -0.08 -0.46 -0.13 0.00 0.33 0.00 0.00 56.93 56.59 2dj3 s PHE 87 Cb -0.10 -2.41 0.15 0.00 -1.31 0.00 0.00 43.02 39.36 2dj3 s PHE 87 CO -0.05 -0.44 0.53 0.00 1.83 0.00 0.00 175.22 177.09 2dj3 s ALA 88 N 1.65 3.70 -0.01 11.12 0.00 -0.87 -2.99 121.76 134.35 2dj3 s ALA 88 Ca 0.05 -2.78 -0.30 0.00 0.00 0.00 0.00 51.96 48.93 2dj3 s ALA 88 Cb -0.17 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 2dj3 s ALA 88 CO 0.08 -2.06 1.46 -1.25 0.00 0.00 0.00 175.76 173.98 2dj3 s PRO 89 N 1.09 4.26 -0.57 0.00 0.04 -1.26 -1.86 135.00 136.70 2dj3 s PRO 89 Ca 0.08 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 2dj3 s PRO 89 Cb -0.24 -3.64 -0.12 0.00 0.04 0.00 0.00 34.50 30.55 2dj3 s PRO 89 CO -0.01 -0.64 2.42 -1.13 0.04 0.00 0.00 177.00 177.68 2dj3 n SER 90 N 5.71 1.84 0.00 6.66 3.41 -1.26 -1.20 113.62 128.77 2dj3 n SER 90 Ca 0.14 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2dj3 n SER 90 Cb 0.43 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 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 6.24 3.45 1.80 5.00 0.00 -1.26 -4.87 105.19 115.54 2dj3 n GLY 91 Ca 0.45 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 3.34 0.06 1.61 2.03 -0.34 -4.62 116.55 118.63 2dj3 n ASP 92 Ca 0.00 -3.64 0.16 0.00 0.52 0.00 0.00 54.79 51.83 2dj3 n ASP 92 Cb 0.00 -0.75 0.65 0.00 -0.72 0.00 0.00 41.12 40.30 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 1.12 0.05 0.00 -0.67 1.57 -1.69 -0.75 116.57 116.21 2dj3 h LYS 93 Ca 0.45 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2dj3 h LYS 93 Cb 2.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.67 2dj3 h LYS 93 CO 0.81 0.03 0.47 -0.22 -0.57 0.00 0.00 179.45 179.96 2dj3 h LYS 94 N 0.05 0.00 -3.66 3.15 1.63 -1.89 -3.20 116.57 112.65 2dj3 h LYS 94 Ca 0.19 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 59.36 2dj3 h LYS 94 Cb 0.69 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.91 2dj3 h LYS 94 CO -0.01 0.00 -0.69 -0.80 -3.45 0.00 0.00 179.45 174.50 2dj3 s ASN 95 N -3.78 4.27 0.36 4.20 0.01 -0.29 -4.94 114.94 114.77 2dj3 s ASN 95 Ca -0.02 -2.57 -0.27 0.00 -0.71 0.00 0.00 52.86 49.29 2dj3 s ASN 95 Cb 0.05 -1.44 -0.09 0.00 0.41 0.00 0.00 41.25 40.18 2dj3 s ASN 95 CO 0.17 -0.30 1.21 -2.16 -1.51 0.00 0.00 177.10 174.51 2dj3 s PRO 96 N 0.34 4.23 -0.39 -0.60 0.04 -1.21 -4.82 135.00 132.60 2dj3 s PRO 96 Ca 0.15 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 2dj3 s PRO 96 Cb -0.23 -2.89 0.09 0.00 0.04 0.00 0.00 34.50 31.52 2dj3 s PRO 96 CO -0.04 -0.20 0.18 0.42 0.04 0.00 0.00 177.00 177.39 2dj3 s ILE 97 N -1.28 3.40 0.22 0.56 1.01 -1.16 -4.95 121.20 118.99 2dj3 s ILE 97 Ca 0.52 -1.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.07 2dj3 s ILE 97 Cb -0.34 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.83 2dj3 s ILE 97 CO 0.44 -0.55 0.89 -0.75 0.00 0.00 0.00 174.94 174.97 2dj3 s LYS 98 N 1.21 4.78 -0.60 2.79 2.20 -1.26 -1.74 119.74 127.12 2dj3 s LYS 98 Ca 0.05 1.40 -0.25 0.00 -0.36 0.00 0.00 55.97 56.80 2dj3 s LYS 98 Cb -0.22 -3.28 0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2dj3 s LYS 98 CO -0.03 0.53 1.05 0.12 -0.36 0.00 0.00 175.35 176.67 2dj3 s PHE 99 N -1.16 2.66 -0.98 4.03 5.36 -1.14 -4.96 117.98 121.79 2dj3 s PHE 99 Ca 0.40 -0.00 -0.07 0.00 -0.96 0.00 0.00 56.93 56.29 2dj3 s PHE 99 Cb -0.25 -4.28 0.25 0.00 -0.34 0.00 0.00 43.02 38.39 2dj3 s PHE 99 CO 0.30 -1.55 0.93 -1.21 -1.46 0.00 0.00 175.22 172.23 2dj3 s GLU 100 N 4.44 3.75 -0.15 10.12 2.02 -1.26 -4.84 118.70 132.78 2dj3 s GLU 100 Ca 0.33 -3.09 -0.01 0.00 0.02 0.00 0.00 54.97 52.22 2dj3 s GLU 100 Cb -0.11 -4.32 0.04 0.00 0.10 0.00 0.00 34.13 29.84 2dj3 s GLU 100 CO 0.19 -1.25 -0.02 0.20 0.02 0.00 0.00 175.26 174.40 2dj3 s GLY 101 N 0.98 0.77 0.35 -1.39 0.00 -1.26 -5.01 107.32 101.76 2dj3 s GLY 101 Ca 0.27 -0.63 0.15 0.00 0.00 0.00 0.00 44.72 44.51 2dj3 s GLY 101 CO -0.09 1.12 1.60 -1.33 0.00 0.00 0.00 173.10 174.41 2dj3 h GLY 102 N 8.20 2.00 -7.60 0.20 0.00 -2.05 -3.14 103.07 100.69 2dj3 h GLY 102 Ca -0.21 -0.12 -0.77 0.00 0.00 0.00 0.00 47.33 46.23 2dj3 h GLY 102 CO 0.35 -0.65 -0.04 -1.31 0.00 0.00 0.00 176.54 174.89 2dj3 s ASN 103 N -4.74 6.47 -1.07 0.19 0.01 -1.26 -5.00 114.94 109.54 2dj3 s ASN 103 Ca -0.10 -2.45 -0.19 0.00 -0.71 0.00 0.00 52.86 49.42 2dj3 s ASN 103 Cb 0.32 -2.18 0.11 0.00 0.41 0.00 0.00 41.25 39.91 2dj3 s ASN 103 CO 0.78 -0.63 1.38 -0.60 -1.51 0.00 0.00 177.10 176.51 2dj3 s ARG 104 N 0.56 3.76 0.36 -0.60 3.52 -1.19 -4.55 118.95 120.81 2dj3 s ARG 104 Ca 0.14 -1.79 0.04 0.00 -0.13 0.00 0.00 55.73 53.99 2dj3 s ARG 104 Cb -0.17 -5.17 -0.03 0.00 -1.56 0.00 0.00 34.95 28.02 2dj3 s ARG 104 CO -0.05 -1.97 0.18 -0.51 -0.81 0.00 0.00 175.30 172.13 2dj3 s ASP 105 N 3.94 2.14 0.54 -2.12 1.01 -1.26 -4.95 116.67 115.97 2dj3 s ASP 105 Ca 0.42 -1.66 0.35 0.00 0.71 0.00 0.00 52.55 52.37 2dj3 s ASP 105 Cb -0.02 0.48 1.62 0.00 1.01 0.00 0.00 42.92 46.01 2dj3 s ASP 105 CO -0.05 -0.95 2.05 0.25 0.21 0.00 0.00 175.17 176.68 2dj3 h LEU 106 N 2.00 0.00 0.15 1.23 5.85 -1.92 0.26 115.31 122.88 2dj3 h LEU 106 Ca -0.32 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.10 2dj3 h LEU 106 Cb 1.26 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.29 2dj3 h LEU 106 CO 0.50 0.00 -1.41 -0.08 -0.34 0.00 0.00 178.44 177.12 2dj3 h GLU 107 N 0.00 0.32 0.00 1.25 4.57 -1.95 -3.21 114.58 115.56 2dj3 h GLU 107 Ca 0.00 -0.55 -0.14 0.00 -1.18 0.00 0.00 59.36 57.49 2dj3 h GLU 107 Cb 0.33 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2dj3 h GLU 107 CO 0.00 1.23 -0.76 0.45 -1.18 0.00 0.00 179.01 178.76 2dj3 h HIS 108 N 0.09 0.00 -0.68 0.92 3.86 -1.69 -3.29 115.15 114.35 2dj3 h HIS 108 Ca -0.20 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.15 2dj3 h HIS 108 Cb 2.03 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 30.38 2dj3 h HIS 108 CO 0.08 1.22 -0.06 -0.07 0.86 0.00 0.00 177.93 179.97 2dj3 h LEU 109 N -1.00 -0.42 -1.68 2.43 3.38 -0.69 0.44 115.31 117.78 2dj3 h LEU 109 Ca -0.20 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2dj3 h LEU 109 Cb 1.13 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2dj3 h LEU 109 CO -0.12 -0.17 0.18 0.77 0.09 0.00 0.00 178.44 179.18 2dj3 h SER 110 N 0.07 0.34 0.91 -0.43 4.64 -1.72 0.68 113.55 118.03 2dj3 h SER 110 Ca 0.35 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2dj3 h SER 110 Cb 0.58 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2dj3 h SER 110 CO -0.63 0.26 0.00 0.29 -0.87 0.00 0.00 176.83 175.88 2dj3 n LYS 111 N -4.48 0.11 -0.04 4.77 5.02 0.15 -2.72 118.16 120.98 2dj3 n LYS 111 Ca 0.01 0.23 -0.20 0.00 -2.02 0.00 0.00 58.31 56.33 2dj3 n LYS 111 Cb 0.08 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.29 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 -1.87 0.84 0.13 2.13 -0.00 0.15 -4.14 117.46 114.70 2dj3 n PHE 112 Ca 0.04 0.18 -0.05 0.00 -0.00 0.00 0.00 57.45 57.62 2dj3 n PHE 112 Cb 0.29 -1.11 -0.02 0.00 -0.00 0.00 0.00 39.48 38.63 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 0.05 0.00 -0.80 -2.13 2.04 -1.30 -3.13 117.51 112.24 2dj3 h ILE 113 Ca -0.47 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.36 2dj3 h ILE 113 Cb 1.99 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.96 2dj3 h ILE 113 CO 0.03 0.00 -0.39 -0.67 0.00 0.00 0.00 178.15 177.12 2dj3 n ASP 114 N -3.25 -0.68 -0.03 1.72 -0.08 -1.10 0.52 116.55 113.65 2dj3 n ASP 114 Ca -0.04 1.41 -0.01 0.00 -1.51 0.00 0.00 54.79 54.64 2dj3 n ASP 114 Cb 0.13 -0.25 -0.01 0.00 2.34 0.00 0.00 41.12 43.33 2dj3 n ASP 114 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2dj3 h GLU 115 N 0.00 -0.02 0.00 -0.67 4.39 -1.72 0.46 114.58 117.02 2dj3 h GLU 115 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2dj3 h GLU 115 Cb 0.40 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2dj3 h GLU 115 CO -0.77 -0.02 0.00 0.45 -1.16 0.00 0.00 179.01 177.51 2dj3 h HIS 116 N -0.03 0.00 -4.02 4.33 3.86 -1.08 -3.43 115.15 114.78 2dj3 h HIS 116 Ca 0.01 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.72 2dj3 h HIS 116 Cb 0.06 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.59 2dj3 h HIS 116 CO -0.75 0.00 0.47 0.00 0.86 0.00 0.00 177.93 178.51 2dj3 s ALA 117 N -4.05 2.91 -0.56 2.45 0.00 0.18 -4.94 121.76 117.75 2dj3 s ALA 117 Ca -0.05 0.89 0.16 0.00 0.00 0.00 0.00 51.96 52.96 2dj3 s ALA 117 Cb 0.12 -3.37 0.76 0.00 0.00 0.00 0.00 23.12 20.63 2dj3 s ALA 117 CO 0.38 -0.66 1.68 2.41 0.00 0.00 0.00 175.76 179.57 2dj3 n THR 118 N -0.68 2.40 -0.06 0.00 -1.04 -1.26 -4.57 114.28 109.07 2dj3 n THR 118 Ca 0.08 -1.37 -0.02 0.00 -2.04 0.00 0.00 64.05 60.71 2dj3 n THR 118 Cb 0.49 -0.13 0.01 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.72 1.09 -3.96 -2.82 3.00 -1.26 -4.80 118.16 110.13 2dj3 n LYS 119 Ca 0.27 -0.18 -0.10 0.00 -0.00 0.00 0.00 58.31 58.30 2dj3 n LYS 119 Cb 1.07 -1.07 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 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 -0.21 1.24 0.12 1.64 1.04 -1.26 -5.05 118.95 116.47 2dj3 s ARG 120 Ca 0.04 -1.18 -0.16 0.00 -1.04 0.00 0.00 55.73 53.38 2dj3 s ARG 120 Cb 0.03 0.40 0.04 0.00 -2.04 0.00 0.00 34.95 33.38 2dj3 s ARG 120 CO 0.00 -0.47 1.00 -1.13 -0.04 0.00 0.00 175.30 174.66 2dj3 n SER 121 N -0.25 -0.57 -1.73 -2.89 3.41 -1.26 -4.83 113.62 105.50 2dj3 n SER 121 Ca -0.06 1.14 -0.04 0.00 -0.26 0.00 0.00 58.87 59.64 2dj3 n SER 121 Cb 0.63 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 64.40 2dj3 n SER 121 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2dj3 n ARG 122 N -4.87 -1.45 -2.08 4.33 0.00 -1.26 -4.95 116.66 106.37 2dj3 n ARG 122 Ca 0.04 0.23 -0.41 0.00 -0.00 0.00 0.00 57.85 57.70 2dj3 n ARG 122 Cb 0.21 -3.20 -0.00 0.00 0.00 0.00 0.00 32.46 29.47 2dj3 n ARG 122 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2dj3 n THR 123 N -1.86 4.62 0.06 5.15 5.66 -1.26 -4.72 114.28 121.92 2dj3 n THR 123 Ca -0.06 -4.13 0.09 0.00 -3.05 0.00 0.00 64.05 56.90 2dj3 n THR 123 Cb 0.54 -2.29 0.54 0.00 -1.55 0.00 0.00 70.33 67.57 2dj3 n THR 123 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2dj3 h LYS 124 N 5.28 0.27 -1.17 1.09 3.11 -2.01 -1.98 116.57 121.16 2dj3 h LYS 124 Ca 0.56 -0.02 0.35 0.00 -2.81 0.00 0.00 60.65 58.73 2dj3 h LYS 124 Cb 0.48 -0.06 -0.11 0.00 -1.00 0.00 0.00 32.23 31.54 2dj3 h LYS 124 CO 1.61 0.18 0.76 0.93 -2.81 0.00 0.00 179.45 180.11 2dj3 h GLU 125 N 0.28 0.23 -4.56 1.90 4.39 -2.03 -3.17 114.58 111.62 2dj3 h GLU 125 Ca 0.15 -0.01 -0.73 0.00 0.34 0.00 0.00 59.36 59.11 2dj3 h GLU 125 Cb 0.25 -0.05 -0.21 0.00 -0.10 0.00 0.00 28.75 28.64 2dj3 h GLU 125 CO -0.03 0.15 0.60 -1.21 -1.16 0.00 0.00 179.01 177.36 2dj3 s GLU 126 N -5.39 3.65 -0.21 2.33 2.02 -0.74 -4.77 118.70 115.58 2dj3 s GLU 126 Ca -0.08 -2.09 0.01 0.00 0.02 0.00 0.00 54.97 52.83 2dj3 s GLU 126 Cb 0.27 -4.75 -0.20 0.00 0.10 0.00 0.00 34.13 29.55 2dj3 s GLU 126 CO 0.81 -1.59 -0.01 1.47 0.02 0.00 0.00 175.26 175.96 2dj3 n LEU 127 N 5.49 2.59 -4.50 1.80 -0.00 -1.20 -4.97 117.00 116.21 2dj3 n LEU 127 Ca 0.21 -0.01 -0.57 0.00 -0.00 0.00 0.00 56.01 55.64 2dj3 n LEU 127 Cb 0.48 -0.83 -0.07 0.00 -0.00 0.00 0.00 43.42 43.00 2dj3 n LEU 127 CO 0.45 0.87 0.54 -1.20 -0.00 0.00 0.00 177.39 178.05 2dj3 n SER 128 N -3.28 0.04 -0.63 1.45 7.64 -1.26 -4.94 113.62 112.65 2dj3 n SER 128 Ca -0.40 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.63 2dj3 n SER 128 Cb 1.02 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.65 4.14 0.00 0.23 0.00 -1.26 -5.01 105.19 104.94 2dj3 n GLY 129 Ca 0.20 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.80 2dj3 n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dj3 n PRO 130 N 0.00 0.49 -1.05 1.61 -0.04 -1.26 -4.85 135.00 129.90 2dj3 n PRO 130 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2dj3 n PRO 130 Cb 0.00 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 2dj3 n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dj3 n SER 131 N -0.87 0.48 -0.03 3.54 2.88 -1.26 -4.79 113.62 113.57 2dj3 n SER 131 Ca 0.09 0.41 -0.15 0.00 -1.33 0.00 0.00 58.87 57.89 2dj3 n SER 131 Cb 0.04 -0.72 -0.11 0.00 -0.75 0.00 0.00 64.21 62.68 2dj3 n SER 131 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dj3 h SER 132 N 7.88 0.21 -0.03 -3.46 0.87 -2.07 -3.54 113.55 113.40 2dj3 h SER 132 Ca -0.07 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2dj3 h SER 132 Cb 1.09 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2dj3 h SER 132 CO 0.94 0.89 0.00 0.61 -0.53 0.00 0.00 176.83 178.74