#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dj3 n SER 2 N 0.00 0.30 -4.30 1.61 7.64 -1.26 -5.07 113.62 112.54 2dj3 n SER 2 Ca 0.00 0.04 -0.33 0.00 1.01 0.00 0.00 58.87 59.60 2dj3 n SER 2 Cb 0.00 -0.10 0.16 0.00 -1.01 0.00 0.00 64.21 63.25 2dj3 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dj3 n SER 3 N -3.16 -2.37 -3.92 6.43 7.64 -1.26 -5.04 113.62 111.94 2dj3 n SER 3 Ca -0.03 -0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.73 2dj3 n SER 3 Cb 0.44 -0.99 -0.06 0.00 -1.01 0.00 0.00 64.21 62.59 2dj3 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dj3 s GLY 4 N -1.85 0.38 -0.23 0.23 0.00 -1.26 -5.08 107.32 99.50 2dj3 s GLY 4 Ca 0.55 -0.75 -0.18 0.00 0.00 0.00 0.00 44.72 44.35 2dj3 s GLY 4 CO 0.67 -0.68 -0.00 1.44 0.00 0.00 0.00 173.10 174.52 2dj3 n SER 5 N -0.27 1.91 -4.30 1.64 7.64 -1.26 -4.76 113.62 114.21 2dj3 n SER 5 Ca -0.07 0.37 -0.46 0.00 1.01 0.00 0.00 58.87 59.72 2dj3 n SER 5 Cb 0.63 -0.90 -0.04 0.00 -1.01 0.00 0.00 64.21 62.89 2dj3 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dj3 s SER 6 N -7.10 6.36 0.00 6.43 0.01 -1.26 -4.69 113.70 113.46 2dj3 s SER 6 Ca -0.33 -2.20 0.00 0.00 1.31 0.00 0.00 55.95 54.74 2dj3 s SER 6 Cb 0.09 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2dj3 s SER 6 CO 0.56 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2dj3 n GLY 7 N 4.65 0.87 0.24 3.44 0.00 -1.26 -5.04 105.19 108.09 2dj3 n GLY 7 Ca -0.02 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.70 -6.24 1.61 0.13 -1.86 -3.43 132.00 122.91 2dj3 h PRO 8 Ca 0.00 -0.37 -0.56 0.00 -0.87 0.00 0.00 66.00 64.20 2dj3 h PRO 8 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2dj3 h PRO 8 CO 0.00 0.98 1.06 0.08 -0.23 0.00 0.00 178.00 179.89 2dj3 s VAL 9 N -4.28 3.78 0.14 1.56 1.01 -1.26 -4.70 120.40 116.64 2dj3 s VAL 9 Ca -0.09 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 2dj3 s VAL 9 Cb 0.12 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 2dj3 s VAL 9 CO 0.85 -0.14 1.15 -0.75 0.00 0.00 0.00 175.10 176.20 2dj3 s LYS 10 N 4.08 4.52 -0.05 2.72 2.20 -1.09 -4.80 119.74 127.32 2dj3 s LYS 10 Ca 0.68 1.76 -0.15 0.00 -0.36 0.00 0.00 55.97 57.91 2dj3 s LYS 10 Cb -0.28 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 2dj3 s LYS 10 CO 0.26 -0.07 0.38 0.14 -0.36 0.00 0.00 175.35 175.70 2dj3 s VAL 11 N 0.25 5.13 0.22 4.02 -7.23 -1.26 -0.09 120.40 121.43 2dj3 s VAL 11 Ca 0.53 0.77 0.11 0.00 -1.81 0.00 0.00 61.98 61.58 2dj3 s VAL 11 Cb -0.30 -3.69 -0.05 0.00 0.56 0.00 0.00 36.38 32.90 2dj3 s VAL 11 CO 0.33 0.52 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.72 2dj3 s VAL 12 N -0.59 2.34 0.42 1.32 1.01 0.86 -4.90 120.40 120.87 2dj3 s VAL 12 Ca 0.22 -2.13 0.04 0.00 0.00 0.00 0.00 61.98 60.11 2dj3 s VAL 12 Cb -0.16 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2dj3 s VAL 12 CO 0.11 -0.21 0.12 0.68 0.00 0.00 0.00 175.10 175.79 2dj3 s VAL 13 N -1.95 0.64 -1.80 2.92 -7.23 -1.26 -4.42 120.40 107.30 2dj3 s VAL 13 Ca 0.23 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 58.55 2dj3 s VAL 13 Cb -0.07 -2.34 0.38 0.00 0.56 0.00 0.00 36.38 34.92 2dj3 s VAL 13 CO 0.11 0.00 1.37 0.61 -0.31 0.00 0.00 175.10 176.88 2dj3 n GLY 14 N -0.94 -0.59 0.02 2.32 0.00 -1.26 0.35 105.19 105.10 2dj3 n GLY 14 Ca -0.07 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.10 0.69 0.00 1.61 -0.00 -1.26 -4.49 118.16 113.61 2dj3 n LYS 15 Ca 0.10 -0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2dj3 n LYS 15 Cb 0.08 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 33.71 2dj3 n LYS 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2dj3 n THR 16 N -2.17 0.71 -0.02 0.58 -2.24 -0.87 -4.73 114.28 105.53 2dj3 n THR 16 Ca -0.07 -0.82 -0.13 0.00 -2.27 0.00 0.00 64.05 60.76 2dj3 n THR 16 Cb 0.54 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.11 0.00 4.78 3.04 -0.33 0.24 116.94 124.78 2dj3 h PHE 17 Ca 0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2dj3 h PHE 17 Cb 0.42 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.91 2dj3 h PHE 17 CO 0.00 0.50 0.00 -0.25 -2.02 0.00 0.00 178.31 176.54 2dj3 n ASP 18 N -4.81 0.01 -0.11 0.41 9.92 -1.26 -0.89 116.55 119.82 2dj3 n ASP 18 Ca -0.08 0.50 -0.20 0.00 -0.53 0.00 0.00 54.79 54.49 2dj3 n ASP 18 Cb 0.25 -0.50 -0.12 0.00 -0.64 0.00 0.00 41.12 40.11 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 -1.50 1.31 -0.00 2.24 0.00 -1.07 -4.19 120.51 117.30 2dj3 n ALA 19 Ca 0.04 -1.01 -0.00 0.00 0.00 0.00 0.00 53.44 52.46 2dj3 n ALA 19 Cb 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.42 0.04 0.02 0.00 5.41 0.83 -3.58 119.36 118.66 2dj3 n ILE 20 Ca -0.44 0.49 0.22 0.00 1.00 0.00 0.00 62.75 64.02 2dj3 n ILE 20 Cb 0.98 -1.52 0.72 0.00 -0.71 0.00 0.00 39.64 39.11 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 0.41 -0.73 1.39 2.07 -1.16 0.20 116.25 118.41 2dj3 h VAL 21 Ca 0.00 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 67.02 2dj3 h VAL 21 Cb 0.02 0.60 -0.32 0.00 -1.52 0.00 0.00 31.29 30.07 2dj3 h VAL 21 CO 0.00 0.00 -0.18 0.23 0.02 0.00 0.00 177.57 177.64 2dj3 n MET 22 N -3.83 2.94 -3.02 1.57 2.81 -0.25 -4.69 117.12 112.65 2dj3 n MET 22 Ca 0.10 -3.70 -0.43 0.00 -1.81 0.00 0.00 57.70 51.87 2dj3 n MET 22 Cb 0.74 -2.17 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 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 -2.86 6.33 0.00 7.83 2.15 0.72 -4.67 116.67 126.17 2dj3 s ASP 23 Ca 0.53 -0.38 0.11 0.00 0.43 0.00 0.00 52.55 53.24 2dj3 s ASP 23 Cb 0.44 -2.36 0.65 0.00 -0.30 0.00 0.00 42.92 41.35 2dj3 s ASP 23 CO 0.02 -0.93 1.09 -0.81 -0.17 0.00 0.00 175.17 174.36 2dj3 n PRO 24 N 6.63 0.49 0.10 4.34 -0.04 -1.26 -2.25 135.00 143.00 2dj3 n PRO 24 Ca -0.01 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2dj3 n PRO 24 Cb 0.47 -1.35 0.14 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.77 0.54 1.57 -1.92 -3.40 116.57 111.59 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 -0.19 0.00 0.08 0.00 0.00 32.23 32.12 2dj3 h LYS 25 CO 0.00 0.00 0.65 -1.59 -0.57 0.00 0.00 179.45 177.94 2dj3 s LYS 26 N -3.22 0.54 -0.16 3.15 -2.85 -0.96 -4.93 119.74 111.32 2dj3 s LYS 26 Ca 0.05 -0.12 -0.29 0.00 -1.00 0.00 0.00 55.97 54.60 2dj3 s LYS 26 Cb 0.11 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 2dj3 s LYS 26 CO 0.72 -0.22 1.10 -0.51 0.10 0.00 0.00 175.35 176.54 2dj3 s ASP 27 N -2.00 7.10 -0.15 0.03 1.11 -0.58 -4.10 116.67 118.09 2dj3 s ASP 27 Ca 0.05 1.55 -0.01 0.00 0.18 0.00 0.00 52.55 54.32 2dj3 s ASP 27 Cb -0.01 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 2dj3 s ASP 27 CO -0.05 -0.62 -0.11 -0.69 1.18 0.00 0.00 175.17 174.88 2dj3 s VAL 28 N 2.81 3.19 -0.53 -1.27 1.01 -0.87 -3.03 120.40 121.70 2dj3 s VAL 28 Ca 0.49 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 2dj3 s VAL 28 Cb -0.19 -2.36 0.08 0.00 0.00 0.00 0.00 36.38 33.91 2dj3 s VAL 28 CO 0.13 0.51 0.60 -0.22 0.00 0.00 0.00 175.10 176.12 2dj3 s LEU 29 N 0.53 5.35 -0.04 3.92 2.96 -1.17 -1.80 118.68 128.42 2dj3 s LEU 29 Ca -0.07 -1.25 -0.17 0.00 -0.22 0.00 0.00 54.13 52.42 2dj3 s LEU 29 Cb -0.15 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 2dj3 s LEU 29 CO 0.04 -0.92 0.47 -0.51 -1.32 0.00 0.00 176.35 174.10 2dj3 s ILE 30 N 2.38 5.05 -0.25 6.68 1.10 -0.02 -1.41 121.20 134.72 2dj3 s ILE 30 Ca 0.11 0.97 0.01 0.00 -0.51 0.00 0.00 60.65 61.23 2dj3 s ILE 30 Cb -0.23 -3.80 0.07 0.00 0.15 0.00 0.00 42.46 38.65 2dj3 s ILE 30 CO 0.08 0.46 -0.04 -0.70 -2.11 0.00 0.00 174.94 172.63 2dj3 s GLU 31 N -0.29 1.64 -0.43 3.50 2.12 -0.95 0.48 118.70 124.77 2dj3 s GLU 31 Ca 0.26 -1.14 -0.29 0.00 0.36 0.00 0.00 54.97 54.16 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 -0.65 1.37 -0.06 -0.54 0.00 0.00 175.26 175.50 2dj3 s PHE 32 N 1.31 2.46 0.11 5.30 0.08 0.22 -1.85 117.98 125.61 2dj3 s PHE 32 Ca -0.04 0.67 0.08 0.00 0.12 0.00 0.00 56.93 57.76 2dj3 s PHE 32 Cb -0.19 -4.34 -0.04 0.00 -0.57 0.00 0.00 43.02 37.88 2dj3 s PHE 32 CO -0.07 -1.86 -0.13 1.52 -0.10 0.00 0.00 175.22 174.58 2dj3 s TYR 33 N 5.32 2.67 -0.14 0.36 -0.85 -0.37 -2.14 117.35 122.20 2dj3 s TYR 33 Ca 0.59 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 2dj3 s TYR 33 Cb -0.12 -1.39 -0.01 0.00 0.38 0.00 0.00 41.96 40.81 2dj3 s TYR 33 CO 0.32 0.42 -0.14 0.00 -1.52 0.00 0.00 175.55 174.63 2dj3 s ALA 34 N -1.22 2.57 -1.87 9.51 0.00 -1.26 -4.22 121.76 125.27 2dj3 s ALA 34 Ca 0.20 -0.94 0.16 0.00 0.00 0.00 0.00 51.96 51.38 2dj3 s ALA 34 Cb -0.11 -1.21 0.89 0.00 0.00 0.00 0.00 23.12 22.69 2dj3 s ALA 34 CO 0.13 0.16 1.36 -0.35 0.00 0.00 0.00 175.76 177.06 2dj3 n PRO 35 N 3.70 0.43 -0.06 0.00 -0.04 -1.26 -1.87 135.00 135.90 2dj3 n PRO 35 Ca -0.18 0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.34 2dj3 n PRO 35 Cb 0.52 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.07 0.11 -4.82 0.54 4.27 -1.26 -5.00 117.44 110.21 2dj3 n TRP 36 Ca 0.11 -0.61 -0.33 0.00 -3.89 0.00 0.00 57.50 52.78 2dj3 n TRP 36 Cb 0.07 -0.08 -0.14 0.00 -1.36 0.00 0.00 31.31 29.80 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 6.20 0.00 2.00 0.00 0.00 -1.94 -3.22 103.07 106.11 2dj3 h GLY 38 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2dj3 h GLY 38 CO 0.54 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.50 2dj3 n HIS 39 N -3.00 0.64 -0.08 5.60 8.25 -1.26 -3.07 115.22 122.31 2dj3 n HIS 39 Ca 0.01 0.23 -0.15 0.00 -0.26 0.00 0.00 57.72 57.55 2dj3 n HIS 39 Cb 0.62 -0.87 -0.14 0.00 1.12 0.00 0.00 29.99 30.72 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 0.01 0.00 0.00 0.00 2.10 -1.55 -0.56 116.57 116.58 2dj3 h LYS 41 Ca -0.51 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.00 2dj3 h LYS 41 Cb 2.03 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.35 2dj3 h LYS 41 CO -0.00 0.00 -0.65 -0.56 -2.00 0.00 0.00 179.45 176.24 2dj3 h GLN 42 N 0.00 0.00 0.00 0.07 3.07 -1.73 -2.98 115.11 113.54 2dj3 h GLN 42 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2dj3 h GLN 42 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2dj3 h GLN 42 CO 0.00 0.65 -0.35 -0.11 0.09 0.00 0.00 178.83 179.12 2dj3 n LEU 43 N -3.65 0.73 -0.37 0.06 7.94 -0.29 -4.25 117.00 117.18 2dj3 n LEU 43 Ca -0.01 0.37 -0.09 0.00 -1.11 0.00 0.00 56.01 55.18 2dj3 n LEU 43 Cb 0.67 -0.25 -0.08 0.00 0.53 0.00 0.00 43.42 44.29 2dj3 n LEU 43 CO 0.42 -0.10 0.42 -0.62 -1.11 0.00 0.00 177.39 176.40 2dj3 n GLU 44 N -2.15 -0.38 -0.02 1.96 1.02 -0.77 0.14 120.64 120.45 2dj3 n GLU 44 Ca 0.04 1.32 -0.13 0.00 -0.02 0.00 0.00 57.16 58.38 2dj3 n GLU 44 Cb 0.43 -1.95 -0.10 0.00 -0.02 0.00 0.00 31.44 29.81 2dj3 n GLU 44 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dj3 h PRO 45 N 0.00 0.02 -1.07 3.49 0.13 -1.80 -2.35 132.00 130.42 2dj3 h PRO 45 Ca 0.15 -0.01 0.29 0.00 -0.87 0.00 0.00 66.00 65.55 2dj3 h PRO 45 Cb 0.37 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.41 2dj3 h PRO 45 CO -0.83 0.50 0.70 0.82 -0.23 0.00 0.00 178.00 178.97 2dj3 h ILE 46 N -0.46 0.48 0.19 -3.56 2.04 -1.45 0.15 117.51 114.90 2dj3 h ILE 46 Ca 0.00 -0.11 -0.32 0.00 1.00 0.00 0.00 64.86 65.43 2dj3 h ILE 46 Cb 0.50 0.12 0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2dj3 h ILE 46 CO 0.00 0.06 -1.37 0.22 0.00 0.00 0.00 178.15 177.06 2dj3 h TYR 47 N 0.33 0.97 -0.45 1.37 3.20 -0.27 -3.11 116.97 118.99 2dj3 h TYR 47 Ca 0.61 -0.66 0.08 0.00 3.14 0.00 0.00 58.73 61.90 2dj3 h TYR 47 Cb 1.66 -0.06 -0.10 0.00 1.54 0.00 0.00 36.73 39.78 2dj3 h TYR 47 CO -0.00 1.51 -0.34 1.15 -1.64 0.00 0.00 178.16 178.83 2dj3 h THR 48 N 0.20 0.19 -0.61 1.81 2.02 -0.15 -0.03 112.91 116.34 2dj3 h THR 48 Ca -0.22 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 2dj3 h THR 48 Cb 2.05 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2dj3 h THR 48 CO 0.26 0.00 0.08 0.28 0.37 0.00 0.00 175.52 176.51 2dj3 h SER 49 N -0.24 0.95 -0.22 4.18 0.02 -1.60 -1.53 113.55 115.11 2dj3 h SER 49 Ca 0.18 -0.22 0.06 0.00 -0.84 0.00 0.00 61.79 60.98 2dj3 h SER 49 Cb 0.55 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2dj3 h SER 49 CO -0.58 0.96 0.17 0.25 -1.14 0.00 0.00 176.83 176.49 2dj3 h LEU 50 N 0.93 0.00 0.00 5.07 5.85 -1.00 -0.17 115.31 125.99 2dj3 h LEU 50 Ca 0.19 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2dj3 h LEU 50 Cb 0.43 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2dj3 h LEU 50 CO 0.01 0.00 -0.43 1.23 -0.34 0.00 0.00 178.44 178.92 2dj3 h GLY 51 N 0.00 0.00 0.18 3.75 0.00 -0.58 -3.00 103.07 103.42 2dj3 h GLY 51 Ca 0.10 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.68 2dj3 h GLY 51 CO -0.00 0.00 0.64 0.07 0.00 0.00 0.00 176.54 177.25 2dj3 h LYS 52 N -1.00 0.16 0.02 4.80 2.10 -1.25 1.80 116.57 123.20 2dj3 h LYS 52 Ca -0.01 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.51 2dj3 h LYS 52 Cb 0.44 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2dj3 h LYS 52 CO -0.01 0.11 -0.46 1.57 -2.00 0.00 0.00 179.45 178.66 2dj3 h LYS 53 N 0.16 0.27 -0.01 0.07 2.10 -1.19 -3.24 116.57 114.74 2dj3 h LYS 53 Ca 0.46 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2dj3 h LYS 53 Cb 1.55 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.97 2dj3 h LYS 53 CO -0.09 1.04 -0.01 0.66 -2.00 0.00 0.00 179.45 179.05 2dj3 n TYR 54 N -4.34 0.00 0.29 0.07 4.02 -0.19 -3.80 117.16 113.21 2dj3 n TYR 54 Ca -0.11 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.93 2dj3 n TYR 54 Cb 0.62 -0.02 0.88 0.00 -0.02 0.00 0.00 39.34 40.80 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 1.18 0.00 -0.91 -0.72 2.10 0.27 -2.07 116.57 116.43 2dj3 h LYS 55 Ca 0.00 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.06 2dj3 h LYS 55 Cb 0.27 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 31.30 2dj3 h LYS 55 CO 0.00 0.03 0.51 0.41 -2.00 0.00 0.00 179.45 178.40 2dj3 n GLY 56 N -1.16 5.63 4.01 0.07 0.00 -1.25 -4.95 105.19 107.54 2dj3 n GLY 56 Ca -0.03 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 2dj3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dj3 s GLN 57 N -3.65 2.54 -0.25 1.61 -0.44 -0.78 -5.06 119.66 113.63 2dj3 s GLN 57 Ca 0.60 -1.48 -0.29 0.00 -2.50 0.00 0.00 55.36 51.69 2dj3 s GLN 57 Cb 0.48 -2.66 0.00 0.00 -1.64 0.00 0.00 33.01 29.19 2dj3 s GLN 57 CO 0.02 -0.57 1.15 0.15 0.50 0.00 0.00 175.29 176.54 2dj3 s LYS 58 N -4.49 4.13 -1.37 1.67 -0.14 -1.26 -3.97 119.74 114.31 2dj3 s LYS 58 Ca 0.57 1.32 -0.17 0.00 -1.36 0.00 0.00 55.97 56.33 2dj3 s LYS 58 Cb -0.07 -3.74 0.02 0.00 -1.68 0.00 0.00 37.83 32.36 2dj3 s LYS 58 CO 0.35 -0.82 0.37 -0.25 -0.76 0.00 0.00 175.35 174.24 2dj3 n ASP 59 N 6.79 -1.69 -3.73 2.83 8.00 -1.26 -4.83 116.55 122.66 2dj3 n ASP 59 Ca 0.13 -1.27 -0.16 0.00 0.71 0.00 0.00 54.79 54.20 2dj3 n ASP 59 Cb 0.46 -1.74 -0.16 0.00 -0.02 0.00 0.00 41.12 39.66 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 -7.39 0.64 -0.23 0.64 2.96 -1.25 -1.53 118.68 112.52 2dj3 s LEU 60 Ca 0.25 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.26 2dj3 s LEU 60 Cb -0.14 0.06 0.08 0.00 0.50 0.00 0.00 46.19 46.69 2dj3 s LEU 60 CO 0.98 -0.18 0.11 -0.69 -1.32 0.00 0.00 176.35 175.26 2dj3 s VAL 61 N 1.50 -0.09 -0.42 1.68 1.01 -1.17 -4.54 120.40 118.37 2dj3 s VAL 61 Ca -0.04 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 2dj3 s VAL 61 Cb -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2dj3 s VAL 61 CO -0.04 -0.49 1.44 -0.63 0.00 0.00 0.00 175.10 175.37 2dj3 s ILE 62 N 2.13 3.86 0.31 2.22 1.01 -1.26 -3.07 121.20 126.40 2dj3 s ILE 62 Ca 0.05 0.87 0.09 0.00 0.00 0.00 0.00 60.65 61.66 2dj3 s ILE 62 Cb -0.16 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 2dj3 s ILE 62 CO -0.23 -0.77 -0.10 0.00 0.00 0.00 0.00 174.94 173.84 2dj3 s ALA 63 N 5.61 2.68 0.22 9.38 0.00 -0.50 -2.68 121.76 136.46 2dj3 s ALA 63 Ca 0.62 -1.97 0.05 0.00 0.00 0.00 0.00 51.96 50.65 2dj3 s ALA 63 Cb -0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2dj3 s ALA 63 CO 0.32 0.06 -0.05 -1.59 0.00 0.00 0.00 175.76 174.50 2dj3 s LYS 64 N -3.63 1.33 0.08 0.00 -2.85 0.86 -2.25 119.74 113.29 2dj3 s LYS 64 Ca 0.31 -1.65 -0.17 0.00 -1.00 0.00 0.00 55.97 53.46 2dj3 s LYS 64 Cb 0.01 -0.80 0.03 0.00 -2.06 0.00 0.00 37.83 35.02 2dj3 s LYS 64 CO 0.14 0.00 0.40 1.41 0.10 0.00 0.00 175.35 177.40 2dj3 s MET 65 N -3.78 0.98 -1.02 1.78 1.75 -0.77 -0.10 119.30 118.14 2dj3 s MET 65 Ca 0.26 -0.55 -0.07 0.00 -1.25 0.00 0.00 55.69 54.08 2dj3 s MET 65 Cb 0.04 0.43 0.26 0.00 2.84 0.00 0.00 34.83 38.40 2dj3 s MET 65 CO 0.08 -0.36 0.98 -0.51 -0.65 0.00 0.00 175.02 174.56 2dj3 s ASP 66 N -2.41 6.82 0.57 1.11 1.01 -1.26 -1.24 116.67 121.27 2dj3 s ASP 66 Ca -0.01 -3.62 0.35 0.00 0.71 0.00 0.00 52.55 49.98 2dj3 s ASP 66 Cb 0.01 -2.10 1.45 0.00 1.01 0.00 0.00 42.92 43.29 2dj3 s ASP 66 CO -0.07 -0.26 1.72 0.00 0.21 0.00 0.00 175.17 176.77 2dj3 h ALA 67 N 6.46 2.95 -0.57 5.23 0.00 -1.79 0.64 119.26 132.19 2dj3 h ALA 67 Ca 0.17 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2dj3 h ALA 67 Cb 0.86 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2dj3 h ALA 67 CO 0.95 -1.43 0.38 1.79 0.00 0.00 0.00 179.25 180.93 2dj3 h THR 68 N 0.00 1.11 0.00 0.00 1.35 -1.90 -3.27 112.91 110.20 2dj3 h THR 68 Ca 0.51 -0.25 -0.34 0.00 -0.55 0.00 0.00 66.41 65.78 2dj3 h THR 68 Cb 2.27 0.33 -0.06 0.00 -1.73 0.00 0.00 68.15 68.96 2dj3 h THR 68 CO -0.01 0.13 -2.21 0.00 -0.25 0.00 0.00 175.52 173.19 2dj3 n ALA 69 N -2.46 1.56 -1.88 6.62 0.00 0.19 -4.98 120.51 119.57 2dj3 n ALA 69 Ca 0.06 -0.88 -0.41 0.00 0.00 0.00 0.00 53.44 52.21 2dj3 n ALA 69 Cb 0.08 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 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 -6.44 7.20 -0.46 0.00 -0.87 0.85 -5.00 114.94 110.22 2dj3 s ASN 70 Ca -0.29 2.25 -0.19 0.00 -1.57 0.00 0.00 52.86 53.06 2dj3 s ASN 70 Cb 0.09 -2.62 0.04 0.00 -0.02 0.00 0.00 41.25 38.74 2dj3 s ASN 70 CO 0.44 -0.23 0.57 -1.81 -2.57 0.00 0.00 177.10 173.51 2dj3 s ASP 71 N -0.50 6.24 -0.96 -1.22 1.01 -1.26 -4.49 116.67 115.49 2dj3 s ASP 71 Ca 0.47 -0.70 -0.24 0.00 0.71 0.00 0.00 52.55 52.79 2dj3 s ASP 71 Cb -0.32 -2.28 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2dj3 s ASP 71 CO 0.40 -0.77 1.86 -0.63 0.21 0.00 0.00 175.17 176.23 2dj3 s ILE 72 N 2.53 3.55 0.47 0.77 1.01 -1.26 -4.79 121.20 123.48 2dj3 s ILE 72 Ca 0.16 -0.53 0.20 0.00 0.00 0.00 0.00 60.65 60.49 2dj3 s ILE 72 Cb -0.17 -4.27 0.39 0.00 0.01 0.00 0.00 42.46 38.42 2dj3 s ILE 72 CO 0.14 -1.15 1.92 0.71 0.00 0.00 0.00 174.94 176.57 2dj3 h THR 73 N 7.04 0.73 -2.07 2.92 1.35 -1.94 -3.43 112.91 117.50 2dj3 h THR 73 Ca 0.13 -0.09 -0.44 0.00 -0.55 0.00 0.00 66.41 65.47 2dj3 h THR 73 Cb 1.00 0.45 0.23 0.00 -1.73 0.00 0.00 68.15 68.09 2dj3 h THR 73 CO 1.25 0.05 -1.27 0.59 -0.25 0.00 0.00 175.52 175.90 2dj3 n ASN 74 N -4.43 -2.52 -0.13 5.36 4.13 -1.26 -4.96 115.26 111.46 2dj3 n ASN 74 Ca 0.15 -0.14 0.03 0.00 1.68 0.00 0.00 54.58 56.29 2dj3 n ASN 74 Cb 0.64 -0.87 0.04 0.00 -1.54 0.00 0.00 39.78 38.05 2dj3 n ASN 74 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2dj3 n ASP 75 N -0.95 1.25 0.00 6.41 8.00 -1.26 -4.74 116.55 125.27 2dj3 n ASP 75 Ca 0.01 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.40 2dj3 n ASP 75 Cb 0.62 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dj3 n GLN 76 N -0.56 3.73 -2.74 -1.24 10.64 -1.26 -4.94 117.38 121.01 2dj3 n GLN 76 Ca 0.05 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.79 2dj3 n GLN 76 Cb 0.51 -0.97 -0.03 0.00 -0.86 0.00 0.00 30.24 28.89 2dj3 n GLN 76 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2dj3 s TYR 77 N -1.93 2.58 -0.07 2.61 1.51 -1.26 -4.86 117.35 115.93 2dj3 s TYR 77 Ca 0.00 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 2dj3 s TYR 77 Cb 0.00 -4.44 -0.03 0.00 -0.11 0.00 0.00 41.96 37.38 2dj3 s TYR 77 CO 0.00 -1.80 -0.09 0.15 -1.11 0.00 0.00 175.55 172.70 2dj3 s LYS 78 N 4.54 2.78 -0.56 -0.62 -0.14 -1.26 -4.97 119.74 119.51 2dj3 s LYS 78 Ca 0.30 -0.59 -0.05 0.00 -1.36 0.00 0.00 55.97 54.26 2dj3 s LYS 78 Cb -0.11 -2.55 0.15 0.00 -1.68 0.00 0.00 37.83 33.63 2dj3 s LYS 78 CO 0.07 0.60 0.40 0.08 -0.76 0.00 0.00 175.35 175.74 2dj3 s VAL 79 N -0.64 3.93 -0.38 3.17 1.01 -1.26 -4.91 120.40 121.31 2dj3 s VAL 79 Ca 0.10 -2.43 0.07 0.00 0.00 0.00 0.00 61.98 59.71 2dj3 s VAL 79 Cb -0.11 -3.57 0.57 0.00 0.00 0.00 0.00 36.38 33.26 2dj3 s VAL 79 CO 0.02 -0.83 1.59 -0.62 0.00 0.00 0.00 175.10 175.26 2dj3 n GLU 80 N 4.12 2.89 0.00 2.72 1.02 -1.26 -4.90 120.64 125.23 2dj3 n GLU 80 Ca 0.03 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 54.82 2dj3 n GLU 80 Cb 0.40 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dj3 n GLY 81 N -0.19 4.12 3.92 0.62 0.00 -1.26 -5.15 105.19 107.25 2dj3 n GLY 81 Ca 0.35 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2dj3 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dj3 s PHE 82 N -0.32 3.50 1.14 1.61 0.40 -1.26 -4.14 117.98 118.91 2dj3 s PHE 82 Ca 0.00 0.28 -0.17 0.00 -0.60 0.00 0.00 56.93 56.44 2dj3 s PHE 82 Cb 0.00 -1.79 0.26 0.00 0.51 0.00 0.00 43.02 42.00 2dj3 s PHE 82 CO 0.00 0.53 1.10 -1.25 0.70 0.00 0.00 175.22 176.30 2dj3 s PRO 83 N -2.76 -0.72 -0.27 0.24 0.04 -1.26 -4.74 135.00 125.53 2dj3 s PRO 83 Ca 0.36 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.52 2dj3 s PRO 83 Cb -0.12 -1.64 0.16 0.00 0.04 0.00 0.00 34.50 32.94 2dj3 s PRO 83 CO 0.28 -3.41 0.44 0.99 0.04 0.00 0.00 177.00 175.33 2dj3 s THR 84 N -2.99 -0.70 -0.04 1.26 2.01 -0.91 -5.00 115.64 109.28 2dj3 s THR 84 Ca 0.69 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 62.47 2dj3 s THR 84 Cb -0.13 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 2dj3 s THR 84 CO 0.57 -0.17 0.23 -0.63 -0.69 0.00 0.00 174.62 173.93 2dj3 s ILE 85 N 2.61 5.36 -0.00 1.82 1.01 -1.26 0.69 121.20 131.43 2dj3 s ILE 85 Ca 0.12 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.97 2dj3 s ILE 85 Cb -0.14 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2dj3 s ILE 85 CO -0.23 0.46 0.01 -0.31 0.00 0.00 0.00 174.94 174.87 2dj3 s TYR 86 N -1.19 0.02 -0.28 3.97 2.02 0.18 -3.16 117.35 118.90 2dj3 s TYR 86 Ca 0.23 -0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 56.85 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 0.12 -0.03 0.03 0.12 -1.57 0.00 0.00 175.55 174.23 2dj3 s PHE 87 N -0.17 3.12 -0.63 2.71 2.19 -0.77 -0.84 117.98 123.59 2dj3 s PHE 87 Ca -0.02 -1.18 -0.12 0.00 0.33 0.00 0.00 56.93 55.94 2dj3 s PHE 87 Cb -0.01 -2.19 0.16 0.00 -1.31 0.00 0.00 43.02 39.67 2dj3 s PHE 87 CO -0.00 -0.63 0.54 0.00 1.83 0.00 0.00 175.22 176.96 2dj3 s ALA 88 N 1.44 3.72 -0.03 11.12 0.00 -0.75 -3.09 121.76 134.17 2dj3 s ALA 88 Ca 0.02 -2.88 -0.30 0.00 0.00 0.00 0.00 51.96 48.79 2dj3 s ALA 88 Cb -0.17 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 2dj3 s ALA 88 CO 0.00 -2.09 1.47 -1.25 0.00 0.00 0.00 175.76 173.90 2dj3 s PRO 89 N 0.87 4.24 -0.57 0.00 0.04 -1.26 -2.06 135.00 136.26 2dj3 s PRO 89 Ca 0.10 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.85 2dj3 s PRO 89 Cb -0.21 -3.72 -0.13 0.00 0.04 0.00 0.00 34.50 30.48 2dj3 s PRO 89 CO -0.03 -0.68 2.41 -1.13 0.04 0.00 0.00 177.00 177.61 2dj3 n SER 90 N 6.06 1.72 0.00 6.66 3.41 -1.26 -0.92 113.62 129.30 2dj3 n SER 90 Ca 0.15 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2dj3 n SER 90 Cb 0.43 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 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 6.33 3.44 1.70 5.00 0.00 -1.26 -4.89 105.19 115.51 2dj3 n GLY 91 Ca 0.46 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 4.37 0.33 1.61 8.00 -0.09 -4.71 116.55 126.05 2dj3 n ASP 92 Ca 0.00 -3.78 0.21 0.00 0.71 0.00 0.00 54.79 51.93 2dj3 n ASP 92 Cb 0.00 -0.58 1.12 0.00 -0.02 0.00 0.00 41.12 41.65 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 1.66 0.00 0.00 -1.24 1.57 -1.73 -1.57 116.57 115.25 2dj3 h LYS 93 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2dj3 h LYS 93 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 2dj3 h LYS 93 CO 0.74 0.00 0.05 1.63 -0.57 0.00 0.00 179.45 181.30 2dj3 n LYS 94 N -3.21 0.08 -3.89 3.15 4.01 -1.26 -3.70 118.16 113.32 2dj3 n LYS 94 Ca -0.03 0.56 -0.30 0.00 -0.51 0.00 0.00 58.31 58.03 2dj3 n LYS 94 Cb 0.10 -1.80 -0.14 0.00 -0.51 0.00 0.00 35.03 32.68 2dj3 n LYS 94 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2dj3 s ASN 95 N -3.50 4.19 -0.06 4.39 0.01 -0.59 -4.95 114.94 114.42 2dj3 s ASN 95 Ca -0.01 -2.79 -0.30 0.00 -0.71 0.00 0.00 52.86 49.05 2dj3 s ASN 95 Cb 0.03 -1.47 -0.05 0.00 0.41 0.00 0.00 41.25 40.18 2dj3 s ASN 95 CO 0.11 -0.26 1.50 -2.16 -1.51 0.00 0.00 177.10 174.78 2dj3 s PRO 96 N 0.05 4.22 -0.49 -0.60 0.04 -1.24 -4.82 135.00 132.16 2dj3 s PRO 96 Ca 0.16 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 63.03 2dj3 s PRO 96 Cb -0.25 -3.82 0.05 0.00 0.04 0.00 0.00 34.50 30.53 2dj3 s PRO 96 CO -0.01 -0.75 0.58 0.42 0.04 0.00 0.00 177.00 177.28 2dj3 s ILE 97 N 3.47 4.94 0.08 0.56 1.01 -1.18 -4.91 121.20 125.16 2dj3 s ILE 97 Ca 0.67 -0.49 -0.25 0.00 0.00 0.00 0.00 60.65 60.57 2dj3 s ILE 97 Cb -0.30 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 37.87 2dj3 s ILE 97 CO 0.25 -0.71 0.77 -0.75 0.00 0.00 0.00 174.94 174.50 2dj3 s LYS 98 N 2.46 4.51 -0.58 2.79 2.20 -1.26 -1.85 119.74 128.01 2dj3 s LYS 98 Ca 0.14 1.09 -0.28 0.00 -0.36 0.00 0.00 55.97 56.56 2dj3 s LYS 98 Cb -0.19 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2dj3 s LYS 98 CO 0.12 0.36 1.35 0.12 -0.36 0.00 0.00 175.35 176.94 2dj3 s PHE 99 N -0.35 2.36 -0.39 4.03 5.36 -1.19 -4.87 117.98 122.93 2dj3 s PHE 99 Ca 0.38 0.41 0.07 0.00 -0.96 0.00 0.00 56.93 56.83 2dj3 s PHE 99 Cb -0.21 -4.44 0.44 0.00 -0.34 0.00 0.00 43.02 38.46 2dj3 s PHE 99 CO 0.24 -1.89 1.11 0.39 -1.46 0.00 0.00 175.22 173.60 2dj3 n GLU 100 N 8.68 3.15 0.06 10.12 1.02 -1.26 -4.82 120.64 137.60 2dj3 n GLU 100 Ca 0.11 -4.27 -0.21 0.00 -0.02 0.00 0.00 57.16 52.77 2dj3 n GLU 100 Cb 0.49 -2.12 -0.13 0.00 -0.02 0.00 0.00 31.44 29.66 2dj3 n GLU 100 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2dj3 h GLY 101 N 2.55 0.61 0.00 0.62 0.00 -1.99 -3.49 103.07 101.36 2dj3 h GLY 101 Ca 0.25 -1.24 0.00 0.00 0.00 0.00 0.00 47.33 46.35 2dj3 h GLY 101 CO 0.77 1.09 0.00 0.61 0.00 0.00 0.00 176.54 179.01 2dj3 n GLY 102 N 1.34 3.25 3.36 4.60 0.00 -1.26 -5.07 105.19 111.39 2dj3 n GLY 102 Ca -0.13 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 2dj3 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dj3 s ASN 103 N 0.00 5.53 -1.04 1.61 0.01 -1.26 -5.03 114.94 114.77 2dj3 s ASN 103 Ca 0.00 -0.92 -0.19 0.00 -0.71 0.00 0.00 52.86 51.03 2dj3 s ASN 103 Cb 0.00 -1.97 0.10 0.00 0.41 0.00 0.00 41.25 39.80 2dj3 s ASN 103 CO 0.00 -0.32 1.34 -0.60 -1.51 0.00 0.00 177.10 176.01 2dj3 s ARG 104 N 1.52 3.70 0.31 -0.60 3.52 -1.26 -4.49 118.95 121.66 2dj3 s ARG 104 Ca 0.02 -1.68 0.05 0.00 -0.13 0.00 0.00 55.73 53.99 2dj3 s ARG 104 Cb -0.19 -5.15 -0.02 0.00 -1.56 0.00 0.00 34.95 28.03 2dj3 s ARG 104 CO 0.05 -1.97 0.31 -0.40 -0.81 0.00 0.00 175.30 172.48 2dj3 n ASP 105 N 7.42 -0.80 0.24 -2.12 5.75 -1.26 -4.96 116.55 120.81 2dj3 n ASP 105 Ca 0.31 -2.98 0.15 0.00 -0.01 0.00 0.00 54.79 52.27 2dj3 n ASP 105 Cb 0.49 1.75 0.56 0.00 -1.03 0.00 0.00 41.12 42.88 2dj3 n ASP 105 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2dj3 h LEU 106 N 0.00 0.00 0.20 -2.12 5.85 -1.92 0.42 115.31 117.74 2dj3 h LEU 106 Ca -0.23 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.17 2dj3 h LEU 106 Cb 1.11 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.16 2dj3 h LEU 106 CO 0.32 0.00 -1.51 -0.33 -0.34 0.00 0.00 178.44 176.58 2dj3 h GLU 107 N 0.00 0.42 0.05 1.25 4.39 -1.95 -3.23 114.58 115.51 2dj3 h GLU 107 Ca 0.00 -0.71 -0.27 0.00 0.34 0.00 0.00 59.36 58.72 2dj3 h GLU 107 Cb 0.58 0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 2dj3 h GLU 107 CO 0.00 1.33 -1.43 0.45 -1.16 0.00 0.00 179.01 178.19 2dj3 h HIS 108 N 0.11 0.20 -0.75 4.33 3.86 -1.76 -3.31 115.15 117.83 2dj3 h HIS 108 Ca -0.25 -0.14 0.16 0.00 -1.16 0.00 0.00 60.37 58.97 2dj3 h HIS 108 Cb 2.10 -0.01 -0.11 0.00 1.06 0.00 0.00 27.41 30.45 2dj3 h HIS 108 CO 0.10 1.56 0.21 -0.07 0.86 0.00 0.00 177.93 180.59 2dj3 h LEU 109 N -0.61 0.07 -1.63 2.43 3.38 -0.34 0.47 115.31 119.07 2dj3 h LEU 109 Ca -0.35 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2dj3 h LEU 109 Cb 1.56 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2dj3 h LEU 109 CO -0.08 -0.01 -0.21 0.77 0.09 0.00 0.00 178.44 179.00 2dj3 h SER 110 N 0.30 0.00 1.04 -0.43 4.64 -1.73 -1.30 113.55 116.07 2dj3 h SER 110 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2dj3 h SER 110 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2dj3 h SER 110 CO -0.49 0.21 -0.07 0.29 -0.87 0.00 0.00 176.83 175.89 2dj3 n LYS 111 N -3.91 0.06 0.01 4.77 5.02 0.15 -2.86 118.16 121.41 2dj3 n LYS 111 Ca -0.02 0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.38 2dj3 n LYS 111 Cb 0.29 -1.57 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.67 0.44 -0.07 2.13 -0.00 -0.49 -4.22 117.46 113.58 2dj3 n PHE 112 Ca 0.06 0.14 -0.11 0.00 -0.00 0.00 0.00 57.45 57.54 2dj3 n PHE 112 Cb 0.36 -0.80 -0.08 0.00 -0.00 0.00 0.00 39.48 38.95 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 0.00 0.99 -1.29 -2.13 2.04 -1.45 -3.26 117.51 112.41 2dj3 h ILE 113 Ca -0.11 -1.85 0.38 0.00 1.00 0.00 0.00 64.86 64.28 2dj3 h ILE 113 Cb 1.29 1.97 -0.08 0.00 -0.74 0.00 0.00 36.82 39.25 2dj3 h ILE 113 CO 0.01 0.33 0.88 -2.24 0.00 0.00 0.00 178.15 177.14 2dj3 h ASP 114 N -1.00 0.18 0.52 1.72 2.03 -1.75 1.13 116.42 119.25 2dj3 h ASP 114 Ca -0.08 0.06 -0.03 0.00 -0.73 0.00 0.00 57.03 56.25 2dj3 h ASP 114 Cb 0.78 0.03 0.01 0.00 -0.83 0.00 0.00 39.33 39.32 2dj3 h ASP 114 CO -0.05 -0.02 -0.25 -0.33 -1.03 0.00 0.00 179.24 177.56 2dj3 h GLU 115 N 0.12 -0.67 0.00 4.15 4.39 -1.73 -3.13 114.58 117.71 2dj3 h GLU 115 Ca 0.69 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.43 2dj3 h GLU 115 Cb 2.35 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 31.15 2dj3 h GLU 115 CO -0.18 -0.41 0.00 0.72 -1.16 0.00 0.00 179.01 177.97 2dj3 n HIS 116 N -5.24 0.00 -1.44 4.33 8.25 -0.29 -4.79 115.22 116.03 2dj3 n HIS 116 Ca -0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 2dj3 n HIS 116 Cb 0.29 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.51 2dj3 n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dj3 n ALA 117 N -0.72 -0.82 0.72 -1.41 0.00 0.37 -4.92 120.51 113.73 2dj3 n ALA 117 Ca 0.11 -0.88 0.01 0.00 0.00 0.00 0.00 53.44 52.67 2dj3 n ALA 117 Cb 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2dj3 n ALA 117 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dj3 n THR 118 N -2.97 0.41 -3.44 0.00 5.66 -1.26 -4.84 114.28 107.83 2dj3 n THR 118 Ca 0.08 -0.21 -0.18 0.00 -3.05 0.00 0.00 64.05 60.70 2dj3 n THR 118 Cb 0.30 -0.47 0.09 0.00 -1.55 0.00 0.00 70.33 68.69 2dj3 n THR 118 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dj3 n LYS 119 N 0.09 -6.74 -3.20 1.09 4.76 -1.26 -4.97 118.16 107.93 2dj3 n LYS 119 Ca 0.04 0.84 -0.39 0.00 -2.87 0.00 0.00 58.31 55.94 2dj3 n LYS 119 Cb 0.39 -5.86 -0.06 0.00 -1.84 0.00 0.00 35.03 27.67 2dj3 n LYS 119 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2dj3 s ARG 120 N -5.45 4.31 -0.11 1.97 3.52 -1.26 -5.05 118.95 116.88 2dj3 s ARG 120 Ca 0.06 0.75 -0.21 0.00 -0.13 0.00 0.00 55.73 56.20 2dj3 s ARG 120 Cb -0.03 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 2dj3 s ARG 120 CO 0.73 0.40 0.60 -1.54 -0.81 0.00 0.00 175.30 174.68 2dj3 s SER 121 N -0.32 6.82 1.00 -2.12 1.04 -1.26 -5.04 113.70 113.82 2dj3 s SER 121 Ca 0.31 0.99 -0.18 0.00 0.48 0.00 0.00 55.95 57.55 2dj3 s SER 121 Cb -0.19 -2.35 -0.08 0.00 0.10 0.00 0.00 66.02 63.50 2dj3 s SER 121 CO 0.18 -0.09 -0.53 0.54 0.98 0.00 0.00 173.24 174.32 2dj3 n ARG 122 N 3.93 -0.26 -3.68 4.02 5.12 -1.26 -4.97 116.66 119.56 2dj3 n ARG 122 Ca -0.04 -0.06 -0.29 0.00 -1.93 0.00 0.00 57.85 55.53 2dj3 n ARG 122 Cb 0.51 -1.31 -0.13 0.00 -1.16 0.00 0.00 32.46 30.37 2dj3 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2dj3 s THR 123 N -2.13 1.19 0.51 0.55 -4.23 -1.26 -5.12 115.64 105.15 2dj3 s THR 123 Ca 0.46 -2.38 -0.21 0.00 -1.18 0.00 0.00 61.69 58.38 2dj3 s THR 123 Cb -0.13 -1.84 -0.09 0.00 1.34 0.00 0.00 72.50 71.78 2dj3 s THR 123 CO 0.74 -0.90 0.83 1.17 -0.54 0.00 0.00 174.62 175.92 2dj3 n LYS 124 N 3.68 0.93 -4.40 3.99 3.00 -1.26 -4.98 118.16 119.11 2dj3 n LYS 124 Ca 0.09 0.34 -0.34 0.00 -0.00 0.00 0.00 58.31 58.40 2dj3 n LYS 124 Cb 0.35 -1.93 -0.14 0.00 0.00 0.00 0.00 35.03 33.31 2dj3 n LYS 124 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2dj3 s GLU 125 N -2.20 3.43 0.06 1.64 2.56 -1.26 -5.11 118.70 117.82 2dj3 s GLU 125 Ca 0.68 -0.64 -0.05 0.00 0.00 0.00 0.00 54.97 54.96 2dj3 s GLU 125 Cb -0.49 -2.81 -0.02 0.00 2.00 0.00 0.00 34.13 32.81 2dj3 s GLU 125 CO 0.53 0.07 0.09 -1.21 -0.56 0.00 0.00 175.26 174.19 2dj3 s GLU 126 N 0.74 0.67 -0.29 4.30 0.41 -1.26 -5.16 118.70 118.11 2dj3 s GLU 126 Ca -0.04 -0.94 -0.16 0.00 -0.41 0.00 0.00 54.97 53.42 2dj3 s GLU 126 Cb -0.15 0.26 0.18 0.00 -1.78 0.00 0.00 34.13 32.63 2dj3 s GLU 126 CO 0.02 -0.17 1.11 -1.17 -0.49 0.00 0.00 175.26 174.56 2dj3 s LEU 127 N -2.56 -0.31 0.28 1.80 0.20 -1.26 -5.18 118.68 111.65 2dj3 s LEU 127 Ca 0.01 0.47 0.10 0.00 0.69 0.00 0.00 54.13 55.40 2dj3 s LEU 127 Cb 0.03 1.43 -0.05 0.00 -0.43 0.00 0.00 46.19 47.16 2dj3 s LEU 127 CO -0.08 -0.07 -0.14 -0.44 -0.29 0.00 0.00 176.35 175.32 2dj3 s SER 128 N 1.40 3.27 -0.35 3.68 0.01 -1.26 -5.10 113.70 115.36 2dj3 s SER 128 Ca -0.07 -1.09 -0.02 0.00 1.31 0.00 0.00 55.95 56.08 2dj3 s SER 128 Cb -0.03 -0.25 0.26 0.00 0.21 0.00 0.00 66.02 66.21 2dj3 s SER 128 CO -0.13 -0.12 1.18 0.61 0.41 0.00 0.00 173.24 175.19 2dj3 n GLY 129 N -0.60 -1.58 3.77 3.44 0.00 -1.26 -5.16 105.19 103.81 2dj3 n GLY 129 Ca -0.06 0.96 -0.36 0.00 0.00 0.00 0.00 46.02 46.57 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 0.29 3.57 -0.13 1.61 0.04 -1.26 -4.99 135.00 134.13 2dj3 s PRO 130 Ca 0.26 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 2dj3 s PRO 130 Cb 0.19 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2dj3 s PRO 130 CO -0.10 -0.69 1.08 0.45 0.04 0.00 0.00 177.00 177.77 2dj3 s SER 131 N -1.57 7.15 -0.23 6.66 0.15 -1.26 -5.02 113.70 119.58 2dj3 s SER 131 Ca 0.68 1.56 -0.08 0.00 0.70 0.00 0.00 55.95 58.81 2dj3 s SER 131 Cb -0.26 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.46 2dj3 s SER 131 CO 0.31 -0.56 0.09 -0.44 1.20 0.00 0.00 173.24 173.84 2dj3 s SER 132 N 1.27 5.49 0.00 5.45 0.01 -1.26 -5.37 113.70 119.29 2dj3 s SER 132 Ca 0.49 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2dj3 s SER 132 Cb -0.19 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2dj3 s SER 132 CO 0.16 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.47