#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 -0.66 0.14 1.61 0.15 -1.26 -5.06 113.70 108.62 2dj3 s SER 2 Ca 0.00 1.11 -0.31 0.00 0.70 0.00 0.00 55.95 57.45 2dj3 s SER 2 Cb 0.00 1.23 -0.07 0.00 -1.71 0.00 0.00 66.02 65.47 2dj3 s SER 2 CO 0.00 -0.18 1.56 0.28 1.20 0.00 0.00 173.24 176.10 2dj3 h SER 3 N 5.87 -1.72 0.00 5.45 0.02 -2.03 -3.46 113.55 117.68 2dj3 h SER 3 Ca -0.29 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2dj3 h SER 3 Cb 1.20 0.72 0.00 0.00 0.14 0.00 0.00 62.40 64.45 2dj3 h SER 3 CO 0.15 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.06 2dj3 n GLY 4 N -1.39 4.67 2.63 -3.77 0.00 -1.26 -5.12 105.19 100.96 2dj3 n GLY 4 Ca -0.02 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 2dj3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dj3 s SER 5 N 1.44 3.26 -0.08 1.61 0.01 -1.26 -4.92 113.70 113.77 2dj3 s SER 5 Ca 0.00 -2.79 -0.03 0.00 1.31 0.00 0.00 55.95 54.44 2dj3 s SER 5 Cb 0.00 -0.89 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 2dj3 s SER 5 CO 0.00 -0.23 -0.09 -1.20 0.41 0.00 0.00 173.24 172.12 2dj3 n SER 6 N 3.30 0.93 -0.23 2.44 7.64 -1.26 -5.14 113.62 121.29 2dj3 n SER 6 Ca 0.15 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2dj3 n SER 6 Cb 0.37 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2dj3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dj3 n GLY 7 N 2.61 0.95 0.08 0.23 0.00 -1.26 -5.05 105.19 102.75 2dj3 n GLY 7 Ca -0.15 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.06 -6.23 1.61 0.13 -1.98 -3.43 132.00 122.04 2dj3 h PRO 8 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.58 2dj3 h PRO 8 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dj3 h PRO 8 CO 0.00 0.40 1.26 0.08 -0.23 0.00 0.00 178.00 179.51 2dj3 s VAL 9 N -4.22 3.24 0.28 1.56 1.01 -1.26 -4.71 120.40 116.29 2dj3 s VAL 9 Ca -0.15 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 2dj3 s VAL 9 Cb 0.02 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 2dj3 s VAL 9 CO 0.64 -0.08 1.12 -0.75 0.00 0.00 0.00 175.10 176.03 2dj3 s LYS 10 N 4.96 4.61 -0.01 2.72 2.20 -1.11 -4.76 119.74 128.35 2dj3 s LYS 10 Ca 0.86 1.84 -0.12 0.00 -0.36 0.00 0.00 55.97 58.19 2dj3 s LYS 10 Cb -0.35 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 2dj3 s LYS 10 CO 0.36 0.17 0.34 0.14 -0.36 0.00 0.00 175.35 176.00 2dj3 s VAL 11 N -1.11 5.15 -0.08 4.02 -7.23 -1.26 0.31 120.40 120.20 2dj3 s VAL 11 Ca 0.45 0.61 0.02 0.00 -1.81 0.00 0.00 61.98 61.25 2dj3 s VAL 11 Cb -0.33 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.00 2dj3 s VAL 11 CO 0.42 0.53 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.91 2dj3 s VAL 12 N -1.13 1.28 0.61 1.32 1.01 0.16 -4.87 120.40 118.77 2dj3 s VAL 12 Ca 0.24 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.77 2dj3 s VAL 12 Cb -0.15 -1.18 0.10 0.00 0.00 0.00 0.00 36.38 35.15 2dj3 s VAL 12 CO 0.12 0.39 0.84 0.68 0.00 0.00 0.00 175.10 177.14 2dj3 s VAL 13 N 0.83 2.04 0.35 2.92 -7.23 -1.26 -4.29 120.40 113.76 2dj3 s VAL 13 Ca -0.11 -0.96 0.17 0.00 -1.81 0.00 0.00 61.98 59.27 2dj3 s VAL 13 Cb -0.15 -2.07 0.15 0.00 0.56 0.00 0.00 36.38 34.87 2dj3 s VAL 13 CO 0.01 0.00 1.88 1.23 -0.31 0.00 0.00 175.10 177.92 2dj3 h GLY 14 N 0.05 0.00 2.00 2.32 0.00 -1.94 0.34 103.07 105.84 2dj3 h GLY 14 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2dj3 h GLY 14 CO 0.40 0.00 0.00 0.07 0.00 0.00 0.00 176.54 177.01 2dj3 h LYS 15 N 0.00 0.00 0.00 4.80 2.10 -2.00 -3.26 116.57 118.21 2dj3 h LYS 15 Ca -0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2dj3 h LYS 15 Cb 0.59 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.87 2dj3 h LYS 15 CO 0.04 0.00 -0.40 0.25 -2.00 0.00 0.00 179.45 177.34 2dj3 n THR 16 N -2.97 1.43 0.02 0.07 -2.24 -0.88 -4.72 114.28 104.98 2dj3 n THR 16 Ca 0.04 -2.05 -0.10 0.00 -2.27 0.00 0.00 64.05 59.67 2dj3 n THR 16 Cb 0.49 0.06 -0.13 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.48 0.08 -0.00 4.78 3.04 -0.38 -2.55 116.94 122.38 2dj3 h PHE 17 Ca -0.03 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.86 2dj3 h PHE 17 Cb 1.19 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2dj3 h PHE 17 CO 0.29 1.08 -0.40 -0.25 -2.02 0.00 0.00 178.31 177.02 2dj3 n ASP 18 N -3.23 0.64 -0.13 0.41 8.00 -1.26 -2.16 116.55 118.82 2dj3 n ASP 18 Ca -0.11 -0.43 -0.19 0.00 0.71 0.00 0.00 54.79 54.76 2dj3 n ASP 18 Cb 1.01 0.18 -0.12 0.00 -0.02 0.00 0.00 41.12 42.17 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 -1.22 1.41 -0.08 2.24 0.00 -1.24 -4.20 120.51 117.41 2dj3 n ALA 19 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2dj3 n ALA 19 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -3.36 0.00 0.08 0.00 5.41 -0.96 -3.55 119.36 116.97 2dj3 n ILE 20 Ca -0.47 0.46 0.21 0.00 1.00 0.00 0.00 62.75 63.95 2dj3 n ILE 20 Cb 0.98 -1.43 0.74 0.00 -0.71 0.00 0.00 39.64 39.22 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 0.00 0.39 -0.80 1.39 2.07 -1.66 0.13 116.25 117.77 2dj3 h VAL 21 Ca 0.00 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.96 2dj3 h VAL 21 Cb 0.00 0.64 -0.35 0.00 -1.52 0.00 0.00 31.29 30.07 2dj3 h VAL 21 CO 0.00 0.00 -0.11 0.23 0.02 0.00 0.00 177.57 177.71 2dj3 n MET 22 N -3.75 3.09 -2.68 1.57 2.81 -0.92 -4.59 117.12 112.65 2dj3 n MET 22 Ca 0.08 -3.74 -0.43 0.00 -1.81 0.00 0.00 57.70 51.80 2dj3 n MET 22 Cb 0.63 -2.24 -0.03 0.00 -0.71 0.00 0.00 33.22 30.88 2dj3 n MET 22 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2dj3 s ASP 23 N -2.83 6.62 0.00 7.83 -4.77 0.46 -4.65 116.67 119.33 2dj3 s ASP 23 Ca 0.56 0.41 0.06 0.00 -3.30 0.00 0.00 52.55 50.27 2dj3 s ASP 23 Cb 0.45 -2.52 0.33 0.00 -1.09 0.00 0.00 42.92 40.09 2dj3 s ASP 23 CO 0.02 -1.16 0.79 -0.81 0.70 0.00 0.00 175.17 174.71 2dj3 n PRO 24 N 7.54 0.49 -0.08 2.11 -0.04 -1.26 -2.71 135.00 141.04 2dj3 n PRO 24 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 2dj3 n PRO 24 Cb 0.49 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.65 2dj3 n PRO 24 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dj3 n LYS 25 N -0.68 0.67 -3.86 0.54 5.02 -1.26 -4.51 118.16 114.07 2dj3 n LYS 25 Ca 0.04 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.49 2dj3 n LYS 25 Cb 0.02 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 2dj3 n LYS 25 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2dj3 s LYS 26 N -2.51 0.61 0.25 1.97 -2.85 -1.10 -4.95 119.74 111.16 2dj3 s LYS 26 Ca -0.31 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.97 53.80 2dj3 s LYS 26 Cb 0.09 0.25 -0.09 0.00 -2.06 0.00 0.00 37.83 36.02 2dj3 s LYS 26 CO 0.64 -0.16 1.16 -0.51 0.10 0.00 0.00 175.35 176.58 2dj3 s ASP 27 N -1.85 7.14 -0.11 0.03 1.11 -0.67 -4.24 116.67 118.07 2dj3 s ASP 27 Ca -0.08 2.31 0.00 0.00 0.18 0.00 0.00 52.55 54.96 2dj3 s ASP 27 Cb -0.03 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.36 2dj3 s ASP 27 CO -0.02 -0.28 -0.09 -0.69 1.18 0.00 0.00 175.17 175.27 2dj3 s VAL 28 N -0.72 1.11 -0.53 -1.27 1.01 -0.72 -2.66 120.40 116.62 2dj3 s VAL 28 Ca 0.48 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 2dj3 s VAL 28 Cb -0.33 -1.10 0.04 0.00 0.00 0.00 0.00 36.38 34.99 2dj3 s VAL 28 CO 0.41 0.38 0.94 -0.22 0.00 0.00 0.00 175.10 176.60 2dj3 s LEU 29 N 1.49 4.07 -0.10 3.92 2.96 -1.17 -2.11 118.68 127.74 2dj3 s LEU 29 Ca 0.01 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.52 2dj3 s LEU 29 Cb -0.13 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 2dj3 s LEU 29 CO -0.06 -1.18 0.49 -0.51 -1.32 0.00 0.00 176.35 173.77 2dj3 s ILE 30 N 3.90 5.15 -0.30 6.68 1.10 0.71 -1.23 121.20 137.22 2dj3 s ILE 30 Ca 0.32 0.98 0.03 0.00 -0.51 0.00 0.00 60.65 61.47 2dj3 s ILE 30 Cb -0.12 -3.83 0.08 0.00 0.15 0.00 0.00 42.46 38.75 2dj3 s ILE 30 CO 0.21 0.35 -0.02 -0.70 -2.11 0.00 0.00 174.94 172.67 2dj3 s GLU 31 N 0.46 1.72 -0.43 3.50 2.56 -0.78 0.29 118.70 126.01 2dj3 s GLU 31 Ca 0.27 -1.53 -0.29 0.00 0.00 0.00 0.00 54.97 53.42 2dj3 s GLU 31 Cb -0.15 -2.94 0.01 0.00 2.00 0.00 0.00 34.13 33.04 2dj3 s GLU 31 CO 0.11 -0.77 1.41 -0.06 -0.56 0.00 0.00 175.26 175.39 2dj3 s PHE 32 N 1.08 2.39 0.07 5.30 0.08 0.11 -2.16 117.98 124.85 2dj3 s PHE 32 Ca 0.02 0.66 0.05 0.00 0.12 0.00 0.00 56.93 57.77 2dj3 s PHE 32 Cb -0.19 -4.32 -0.04 0.00 -0.57 0.00 0.00 43.02 37.89 2dj3 s PHE 32 CO -0.08 -1.97 -0.04 1.52 -0.10 0.00 0.00 175.22 174.55 2dj3 s TYR 33 N 5.51 2.90 -0.17 0.36 -0.85 -0.87 -2.54 117.35 121.70 2dj3 s TYR 33 Ca 0.60 -0.06 -0.02 0.00 -0.52 0.00 0.00 57.07 57.08 2dj3 s TYR 33 Cb -0.13 -1.53 -0.01 0.00 0.38 0.00 0.00 41.96 40.67 2dj3 s TYR 33 CO 0.32 0.44 -0.10 0.00 -1.52 0.00 0.00 175.55 174.69 2dj3 s ALA 34 N -1.21 2.69 -2.00 9.51 0.00 -1.26 -4.27 121.76 125.22 2dj3 s ALA 34 Ca 0.23 -1.01 0.13 0.00 0.00 0.00 0.00 51.96 51.31 2dj3 s ALA 34 Cb -0.11 -1.41 0.80 0.00 0.00 0.00 0.00 23.12 22.40 2dj3 s ALA 34 CO 0.14 -0.03 1.23 -0.35 0.00 0.00 0.00 175.76 176.75 2dj3 n PRO 35 N 4.05 0.49 -0.12 0.00 -0.04 -1.26 -1.94 135.00 136.18 2dj3 n PRO 35 Ca -0.18 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.33 2dj3 n PRO 35 Cb 0.52 -1.43 0.08 0.00 -0.04 0.00 0.00 33.50 32.63 2dj3 n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dj3 n TRP 36 N -0.93 0.00 -4.37 0.54 4.27 -1.26 -5.04 117.44 110.65 2dj3 n TRP 36 Ca 0.10 -0.69 -0.28 0.00 -3.89 0.00 0.00 57.50 52.74 2dj3 n TRP 36 Cb 0.05 -0.11 -0.12 0.00 -1.36 0.00 0.00 31.31 29.77 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 0.58 -0.94 0.12 0.00 0.00 -1.26 -3.88 105.19 99.81 2dj3 n GLY 38 Ca -0.15 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.91 0.57 -0.09 1.61 8.25 -1.26 -2.30 115.22 119.09 2dj3 n HIS 39 Ca -0.28 0.28 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2dj3 n HIS 39 Cb 1.11 -0.95 -0.12 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.47 0.00 0.02 0.00 2.10 -1.57 0.41 116.57 117.07 2dj3 h LYS 41 Ca -0.53 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 57.92 2dj3 h LYS 41 Cb 1.73 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.04 2dj3 h LYS 41 CO -0.16 0.00 -0.95 -0.56 -2.00 0.00 0.00 179.45 175.78 2dj3 h GLN 42 N 0.00 0.07 0.00 0.07 3.07 -1.70 -3.19 115.11 113.43 2dj3 h GLN 42 Ca 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 58.65 58.94 2dj3 h GLN 42 Cb 1.33 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.92 2dj3 h GLN 42 CO -0.00 0.96 -0.34 1.25 0.09 0.00 0.00 178.83 180.79 2dj3 h LEU 43 N 0.03 0.00 -1.00 0.06 5.85 -0.43 -3.37 115.31 116.45 2dj3 h LEU 43 Ca -0.03 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.75 2dj3 h LEU 43 Cb 1.65 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.54 2dj3 h LEU 43 CO 0.13 0.03 -0.49 -0.62 -0.34 0.00 0.00 178.44 177.15 2dj3 n GLU 44 N -2.52 -0.34 -0.01 1.25 -0.58 0.17 0.27 120.64 118.88 2dj3 n GLU 44 Ca 0.04 1.52 -0.13 0.00 -0.42 0.00 0.00 57.16 58.17 2dj3 n GLU 44 Cb 0.48 -2.24 -0.10 0.00 -0.57 0.00 0.00 31.44 29.01 2dj3 n GLU 44 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dj3 h PRO 45 N 0.00 -0.00 -0.99 3.49 0.13 -1.79 -2.11 132.00 130.73 2dj3 h PRO 45 Ca 0.25 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.61 2dj3 h PRO 45 Cb 0.50 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.55 2dj3 h PRO 45 CO -0.96 0.48 0.64 0.82 -0.23 0.00 0.00 178.00 178.75 2dj3 h ILE 46 N -0.49 0.61 0.10 -3.56 2.04 -1.48 0.19 117.51 114.91 2dj3 h ILE 46 Ca -0.00 -0.16 -0.30 0.00 1.00 0.00 0.00 64.86 65.41 2dj3 h ILE 46 Cb 0.49 0.11 0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2dj3 h ILE 46 CO 0.00 0.08 -1.22 0.22 0.00 0.00 0.00 178.15 177.24 2dj3 h TYR 47 N 0.46 1.03 -0.25 1.37 3.20 -0.16 -3.06 116.97 119.56 2dj3 h TYR 47 Ca 0.55 -0.63 0.03 0.00 3.14 0.00 0.00 58.73 61.82 2dj3 h TYR 47 Cb 1.30 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.43 2dj3 h TYR 47 CO -0.00 1.47 -0.38 1.15 -1.64 0.00 0.00 178.16 178.76 2dj3 h THR 48 N 0.30 0.00 -0.47 1.81 2.02 -0.24 0.10 112.91 116.43 2dj3 h THR 48 Ca -0.18 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2dj3 h THR 48 Cb 1.88 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2dj3 h THR 48 CO 0.23 0.00 0.28 0.28 0.37 0.00 0.00 175.52 176.68 2dj3 h SER 49 N -0.29 0.56 -0.82 4.18 0.02 -1.64 0.27 113.55 115.83 2dj3 h SER 49 Ca 0.04 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2dj3 h SER 49 Cb 0.41 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 2dj3 h SER 49 CO -0.39 0.44 0.54 0.25 -1.14 0.00 0.00 176.83 176.54 2dj3 h LEU 50 N 0.65 0.86 0.00 5.07 5.85 -0.97 -0.77 115.31 126.01 2dj3 h LEU 50 Ca 0.17 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2dj3 h LEU 50 Cb -0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2dj3 h LEU 50 CO -0.03 0.59 -0.51 1.23 -0.34 0.00 0.00 178.44 179.38 2dj3 h GLY 51 N 1.00 0.00 0.25 3.75 0.00 -0.09 -2.63 103.07 105.35 2dj3 h GLY 51 Ca 0.33 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.89 2dj3 h GLY 51 CO -0.10 0.00 0.66 0.07 0.00 0.00 0.00 176.54 177.17 2dj3 h LYS 52 N -1.00 0.00 0.14 4.80 2.10 -1.00 0.52 116.57 122.13 2dj3 h LYS 52 Ca -0.09 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.24 2dj3 h LYS 52 Cb 0.68 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.01 2dj3 h LYS 52 CO -0.06 0.00 -1.63 1.57 -2.00 0.00 0.00 179.45 177.33 2dj3 h LYS 53 N 0.00 0.30 0.00 0.07 2.10 -1.27 -3.32 116.57 114.45 2dj3 h LYS 53 Ca 0.37 -0.51 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2dj3 h LYS 53 Cb 1.68 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 33.20 2dj3 h LYS 53 CO -0.00 1.25 0.00 0.66 -2.00 0.00 0.00 179.45 179.35 2dj3 n TYR 54 N -3.74 0.00 -0.12 0.07 4.02 0.14 -3.61 117.16 113.92 2dj3 n TYR 54 Ca -0.26 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.65 2dj3 n TYR 54 Cb 0.99 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.63 2dj3 n TYR 54 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 2dj3 h LYS 55 N 0.00 0.79 -1.45 -0.72 1.57 -0.18 -2.25 116.57 114.33 2dj3 h LYS 55 Ca 0.00 -0.05 -0.32 0.00 -1.87 0.00 0.00 60.65 58.41 2dj3 h LYS 55 Cb 0.00 -0.18 -0.14 0.00 0.08 0.00 0.00 32.23 31.99 2dj3 h LYS 55 CO 0.00 0.53 0.41 0.41 -0.57 0.00 0.00 179.45 180.23 2dj3 n GLY 56 N -1.44 4.01 4.02 3.86 0.00 -1.24 -4.91 105.19 109.50 2dj3 n GLY 56 Ca 0.06 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.82 2.10 -0.44 1.61 -1.52 -0.85 -5.06 119.66 113.69 2dj3 s GLN 57 Ca 0.31 -1.51 -0.20 0.00 -1.95 0.00 0.00 55.36 52.01 2dj3 s GLN 57 Cb 0.24 -2.55 0.02 0.00 -0.22 0.00 0.00 33.01 30.50 2dj3 s GLN 57 CO 0.00 -1.05 0.63 0.15 -0.25 0.00 0.00 175.29 174.77 2dj3 s LYS 58 N -4.81 3.27 -1.35 2.91 3.01 -1.26 -4.35 119.74 117.16 2dj3 s LYS 58 Ca 0.63 -0.40 -0.02 0.00 -1.01 0.00 0.00 55.97 55.18 2dj3 s LYS 58 Cb -0.05 -3.95 -0.00 0.00 -1.01 0.00 0.00 37.83 32.81 2dj3 s LYS 58 CO 0.41 -1.00 0.55 -0.25 0.51 0.00 0.00 175.35 175.57 2dj3 n ASP 59 N 6.21 -1.02 -3.73 2.83 8.00 -1.26 -4.85 116.55 122.72 2dj3 n ASP 59 Ca -0.02 -0.94 -0.14 0.00 0.71 0.00 0.00 54.79 54.39 2dj3 n ASP 59 Cb 0.48 -3.44 -0.15 0.00 -0.02 0.00 0.00 41.12 37.99 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 -6.81 0.60 -0.20 0.64 2.96 -1.26 -1.68 118.68 112.92 2dj3 s LEU 60 Ca 0.04 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 2dj3 s LEU 60 Cb -0.01 0.28 0.07 0.00 0.50 0.00 0.00 46.19 47.03 2dj3 s LEU 60 CO 0.86 -0.17 0.10 -0.69 -1.32 0.00 0.00 176.35 175.13 2dj3 s VAL 61 N 1.40 -0.07 -0.42 1.68 1.01 -1.09 -4.59 120.40 118.32 2dj3 s VAL 61 Ca -0.07 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 2dj3 s VAL 61 Cb -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2dj3 s VAL 61 CO -0.06 -0.41 1.41 -0.63 0.00 0.00 0.00 175.10 175.42 2dj3 s ILE 62 N 2.12 3.89 0.24 2.22 1.01 -1.26 -3.03 121.20 126.39 2dj3 s ILE 62 Ca 0.04 0.90 0.10 0.00 0.00 0.00 0.00 60.65 61.68 2dj3 s ILE 62 Cb -0.16 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 2dj3 s ILE 62 CO -0.17 -0.79 -0.16 0.00 0.00 0.00 0.00 174.94 173.82 2dj3 s ALA 63 N 5.50 2.36 0.27 9.38 0.00 -0.36 -2.74 121.76 136.17 2dj3 s ALA 63 Ca 0.61 -1.77 0.08 0.00 0.00 0.00 0.00 51.96 50.88 2dj3 s ALA 63 Cb -0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2dj3 s ALA 63 CO 0.32 0.15 -0.12 -1.59 0.00 0.00 0.00 175.76 174.53 2dj3 s LYS 64 N -3.59 1.54 0.04 0.00 -2.85 0.15 -1.88 119.74 113.16 2dj3 s LYS 64 Ca 0.26 -1.74 -0.14 0.00 -1.00 0.00 0.00 55.97 53.35 2dj3 s LYS 64 Cb -0.02 -1.33 0.02 0.00 -2.06 0.00 0.00 37.83 34.44 2dj3 s LYS 64 CO 0.11 0.15 0.30 1.41 0.10 0.00 0.00 175.35 177.42 2dj3 s MET 65 N -3.65 0.80 -0.77 1.78 1.75 -0.92 0.38 119.30 118.67 2dj3 s MET 65 Ca 0.28 -0.49 -0.15 0.00 -1.25 0.00 0.00 55.69 54.08 2dj3 s MET 65 Cb 0.01 0.35 0.18 0.00 2.84 0.00 0.00 34.83 38.21 2dj3 s MET 65 CO 0.12 -0.26 0.76 -0.51 -0.65 0.00 0.00 175.02 174.48 2dj3 s ASP 66 N -2.02 6.60 0.57 1.11 1.11 -1.26 -2.04 116.67 120.73 2dj3 s ASP 66 Ca -0.05 -2.35 0.29 0.00 0.18 0.00 0.00 52.55 50.62 2dj3 s ASP 66 Cb -0.01 -2.24 1.71 0.00 1.07 0.00 0.00 42.92 43.44 2dj3 s ASP 66 CO -0.03 -0.73 2.19 0.00 1.18 0.00 0.00 175.17 177.79 2dj3 h ALA 67 N 8.22 1.41 -0.20 5.23 0.00 -1.75 0.16 119.26 132.33 2dj3 h ALA 67 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2dj3 h ALA 67 Cb 1.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2dj3 h ALA 67 CO 0.87 0.06 -0.07 1.79 0.00 0.00 0.00 179.25 181.90 2dj3 h THR 68 N 0.00 1.17 0.00 0.00 1.35 -1.90 -3.27 112.91 110.26 2dj3 h THR 68 Ca -0.00 -0.69 -0.42 0.00 -0.55 0.00 0.00 66.41 64.75 2dj3 h THR 68 Cb 0.13 1.09 -0.07 0.00 -1.73 0.00 0.00 68.15 67.57 2dj3 h THR 68 CO 0.01 0.22 -2.50 0.00 -0.25 0.00 0.00 175.52 173.00 2dj3 n ALA 69 N -2.49 1.35 -2.70 6.62 0.00 -0.67 -4.93 120.51 117.68 2dj3 n ALA 69 Ca -0.00 -1.10 -0.39 0.00 0.00 0.00 0.00 53.44 51.95 2dj3 n ALA 69 Cb 0.24 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 -6.91 6.68 -0.38 0.00 0.01 0.48 -5.04 114.94 109.79 2dj3 s ASN 70 Ca -0.36 0.82 -0.24 0.00 -0.71 0.00 0.00 52.86 52.36 2dj3 s ASN 70 Cb 0.11 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.48 2dj3 s ASN 70 CO 0.55 -0.08 0.83 -1.81 -1.51 0.00 0.00 177.10 175.09 2dj3 s ASP 71 N 0.82 6.58 -0.96 -1.22 1.01 -1.26 -4.31 116.67 117.32 2dj3 s ASP 71 Ca 0.27 0.38 -0.24 0.00 0.71 0.00 0.00 52.55 53.67 2dj3 s ASP 71 Cb -0.15 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2dj3 s ASP 71 CO 0.11 -0.80 1.87 -0.63 0.21 0.00 0.00 175.17 175.94 2dj3 s ILE 72 N 3.26 3.54 0.32 0.77 1.01 -1.26 -4.80 121.20 124.03 2dj3 s ILE 72 Ca 0.33 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.52 2dj3 s ILE 72 Cb -0.13 -4.24 0.30 0.00 0.01 0.00 0.00 42.46 38.41 2dj3 s ILE 72 CO 0.18 -1.11 1.84 0.71 0.00 0.00 0.00 174.94 176.57 2dj3 h THR 73 N 7.04 0.86 -2.24 2.92 1.35 -1.93 -3.42 112.91 117.50 2dj3 h THR 73 Ca 0.13 -0.29 -0.62 0.00 -0.55 0.00 0.00 66.41 65.08 2dj3 h THR 73 Cb 1.00 -0.05 0.09 0.00 -1.73 0.00 0.00 68.15 67.45 2dj3 h THR 73 CO 1.25 0.15 0.33 0.59 -0.25 0.00 0.00 175.52 177.59 2dj3 n ASN 74 N -4.61 1.70 -1.13 5.36 4.13 -1.26 -4.86 115.26 114.59 2dj3 n ASN 74 Ca 0.19 1.15 0.06 0.00 1.68 0.00 0.00 54.58 57.66 2dj3 n ASN 74 Cb 0.43 -1.28 0.24 0.00 -1.54 0.00 0.00 39.78 37.62 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 1.89 3.29 -0.08 6.41 8.00 -1.26 -4.01 116.55 130.79 2dj3 n ASP 75 Ca 0.13 -2.27 -0.11 0.00 0.71 0.00 0.00 54.79 53.25 2dj3 n ASP 75 Cb 0.28 -0.46 -0.09 0.00 -0.02 0.00 0.00 41.12 40.83 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 0.71 0.82 -3.29 -1.24 1.13 -1.26 -4.87 117.38 109.38 2dj3 n GLN 76 Ca 0.17 0.07 -0.45 0.00 -1.94 0.00 0.00 57.00 54.85 2dj3 n GLN 76 Cb 0.62 -1.36 -0.06 0.00 0.11 0.00 0.00 30.24 29.55 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 -2.36 3.19 -0.12 1.08 1.51 -1.26 -4.73 117.35 114.66 2dj3 s TYR 77 Ca -0.19 -1.06 -0.02 0.00 -1.01 0.00 0.00 57.07 54.79 2dj3 s TYR 77 Cb 0.06 -3.62 -0.03 0.00 -0.11 0.00 0.00 41.96 38.26 2dj3 s TYR 77 CO 0.47 -1.00 -0.05 0.15 -1.11 0.00 0.00 175.55 174.01 2dj3 s LYS 78 N 1.88 3.34 -0.65 -0.62 -0.14 -1.26 -4.88 119.74 117.42 2dj3 s LYS 78 Ca 0.06 -0.53 -0.11 0.00 -1.36 0.00 0.00 55.97 54.04 2dj3 s LYS 78 Cb -0.26 -2.80 0.17 0.00 -1.68 0.00 0.00 37.83 33.26 2dj3 s LYS 78 CO 0.05 0.40 0.54 0.08 -0.76 0.00 0.00 175.35 175.67 2dj3 s VAL 79 N -0.08 4.76 0.12 3.17 1.01 -1.26 -4.89 120.40 123.23 2dj3 s VAL 79 Ca 0.01 -2.26 -0.02 0.00 0.00 0.00 0.00 61.98 59.72 2dj3 s VAL 79 Cb -0.13 -4.03 -0.22 0.00 0.00 0.00 0.00 36.38 32.00 2dj3 s VAL 79 CO 0.03 -0.91 1.26 -0.33 0.00 0.00 0.00 175.10 175.15 2dj3 h GLU 80 N 7.95 0.28 0.00 2.72 5.08 -1.97 -3.48 114.58 125.16 2dj3 h GLU 80 Ca -0.06 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2dj3 h GLU 80 Cb 1.04 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2dj3 h GLU 80 CO 0.81 1.11 0.00 0.41 -1.00 0.00 0.00 179.01 180.34 2dj3 n GLY 81 N 1.18 4.35 3.44 -3.84 0.00 -1.26 -5.19 105.19 103.88 2dj3 n GLY 81 Ca -0.06 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.40 -0.57 1.00 1.61 0.40 -1.26 -4.45 117.98 114.31 2dj3 s PHE 82 Ca 0.00 1.27 -0.17 0.00 -0.60 0.00 0.00 56.93 57.43 2dj3 s PHE 82 Cb 0.00 0.23 0.25 0.00 0.51 0.00 0.00 43.02 44.01 2dj3 s PHE 82 CO 0.00 -0.37 0.88 -0.35 0.70 0.00 0.00 175.22 176.08 2dj3 n PRO 83 N 2.22 -2.75 -3.23 0.24 -0.04 -1.26 -4.63 135.00 125.55 2dj3 n PRO 83 Ca -0.16 -1.41 -0.02 0.00 -0.04 0.00 0.00 63.50 61.87 2dj3 n PRO 83 Cb 0.56 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 2dj3 n PRO 83 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2dj3 s THR 84 N -2.60 -0.83 -0.02 0.52 2.01 -1.05 -5.01 115.64 108.66 2dj3 s THR 84 Ca 0.57 -0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.41 2dj3 s THR 84 Cb -0.06 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 2dj3 s THR 84 CO 0.44 -0.09 0.25 -0.63 -0.69 0.00 0.00 174.62 173.90 2dj3 s ILE 85 N 2.71 5.32 -0.08 1.82 1.01 -1.26 0.07 121.20 130.78 2dj3 s ILE 85 Ca 0.14 0.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.01 2dj3 s ILE 85 Cb -0.13 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.84 2dj3 s ILE 85 CO -0.23 0.45 0.17 -0.31 0.00 0.00 0.00 174.94 175.02 2dj3 s TYR 86 N -1.21 -0.21 -0.31 3.97 2.02 0.14 -3.41 117.35 118.34 2dj3 s TYR 86 Ca 0.24 0.61 -0.17 0.00 -0.37 0.00 0.00 57.07 57.38 2dj3 s TYR 86 Cb -0.13 -0.11 -0.02 0.00 -0.40 0.00 0.00 41.96 41.29 2dj3 s TYR 86 CO 0.13 -0.22 0.46 0.12 -1.57 0.00 0.00 175.55 174.47 2dj3 s PHE 87 N 1.62 3.22 -0.68 2.71 2.19 -0.88 -0.21 117.98 125.95 2dj3 s PHE 87 Ca -0.05 0.33 -0.11 0.00 0.33 0.00 0.00 56.93 57.44 2dj3 s PHE 87 Cb -0.12 -2.75 0.18 0.00 -1.31 0.00 0.00 43.02 39.02 2dj3 s PHE 87 CO -0.06 -0.38 0.59 0.00 1.83 0.00 0.00 175.22 177.19 2dj3 s ALA 88 N 2.25 3.80 -0.20 11.12 0.00 -0.90 -3.01 121.76 134.82 2dj3 s ALA 88 Ca 0.18 -3.09 -0.29 0.00 0.00 0.00 0.00 51.96 48.76 2dj3 s ALA 88 Cb -0.16 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2dj3 s ALA 88 CO 0.11 -2.14 1.59 -1.25 0.00 0.00 0.00 175.76 174.07 2dj3 s PRO 89 N 0.47 3.87 -0.38 0.00 0.04 -1.26 -1.76 135.00 135.98 2dj3 s PRO 89 Ca 0.14 1.72 -0.33 0.00 0.04 0.00 0.00 61.00 62.57 2dj3 s PRO 89 Cb -0.18 -4.01 -0.10 0.00 0.04 0.00 0.00 34.50 30.25 2dj3 s PRO 89 CO -0.05 -1.20 2.25 0.45 0.04 0.00 0.00 177.00 178.50 2dj3 n SER 90 N 8.15 2.22 0.00 6.66 2.88 -1.26 -1.10 113.62 131.17 2dj3 n SER 90 Ca 0.18 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2dj3 n SER 90 Cb 0.45 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2dj3 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 91 N 6.37 3.23 1.39 0.46 0.00 -1.26 -4.86 105.19 110.51 2dj3 n GLY 91 Ca 0.40 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 0.04 3.11 -0.18 1.61 8.00 -0.26 -4.76 116.55 124.11 2dj3 n ASP 92 Ca 0.00 -3.65 0.04 0.00 0.71 0.00 0.00 54.79 51.89 2dj3 n ASP 92 Cb 0.00 -0.43 0.32 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.61 0.80 -0.93 -1.24 1.57 -1.47 -2.64 116.57 114.27 2dj3 h LYS 93 Ca 0.15 -0.05 0.32 0.00 -1.87 0.00 0.00 60.65 59.20 2dj3 h LYS 93 Cb 1.30 -0.18 -0.09 0.00 0.08 0.00 0.00 32.23 33.34 2dj3 h LYS 93 CO 0.35 0.53 0.60 1.63 -0.57 0.00 0.00 179.45 182.00 2dj3 n LYS 94 N -4.46 -0.02 -3.50 3.15 4.76 -1.26 -2.45 118.16 114.37 2dj3 n LYS 94 Ca 0.09 0.81 -0.42 0.00 -2.87 0.00 0.00 58.31 55.92 2dj3 n LYS 94 Cb 0.15 -1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 31.66 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 -4.35 6.02 0.18 4.39 0.01 -1.00 -4.86 114.94 115.34 2dj3 s ASN 95 Ca -0.05 -2.58 -0.30 0.00 -0.71 0.00 0.00 52.86 49.22 2dj3 s ASN 95 Cb 0.20 -2.05 -0.08 0.00 0.41 0.00 0.00 41.25 39.72 2dj3 s ASN 95 CO 0.54 -0.53 1.31 -2.16 -1.51 0.00 0.00 177.10 174.75 2dj3 s PRO 96 N 0.34 4.38 -0.50 -0.60 0.04 -1.02 -4.84 135.00 132.80 2dj3 s PRO 96 Ca 0.15 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.10 2dj3 s PRO 96 Cb -0.17 -3.21 0.12 0.00 0.04 0.00 0.00 34.50 31.28 2dj3 s PRO 96 CO -0.05 -0.27 0.42 0.42 0.04 0.00 0.00 177.00 177.56 2dj3 s ILE 97 N 0.28 4.81 -0.05 0.56 1.01 -1.16 -4.94 121.20 121.70 2dj3 s ILE 97 Ca 0.58 -1.56 -0.27 0.00 0.00 0.00 0.00 60.65 59.39 2dj3 s ILE 97 Cb -0.36 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 2dj3 s ILE 97 CO 0.37 -0.79 0.87 -0.75 0.00 0.00 0.00 174.94 174.63 2dj3 s LYS 98 N 1.51 4.48 -0.34 2.79 2.20 -1.26 -2.07 119.74 127.05 2dj3 s LYS 98 Ca 0.04 1.18 -0.28 0.00 -0.36 0.00 0.00 55.97 56.56 2dj3 s LYS 98 Cb -0.28 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2dj3 s LYS 98 CO 0.02 -0.06 2.10 0.12 -0.36 0.00 0.00 175.35 177.17 2dj3 s PHE 99 N 1.13 1.37 -0.57 4.03 5.36 -1.22 -4.84 117.98 123.25 2dj3 s PHE 99 Ca 0.45 0.78 0.01 0.00 -0.96 0.00 0.00 56.93 57.21 2dj3 s PHE 99 Cb -0.19 -3.93 0.45 0.00 -0.34 0.00 0.00 43.02 39.01 2dj3 s PHE 99 CO 0.22 -3.31 1.80 0.39 -1.46 0.00 0.00 175.22 172.86 2dj3 n GLU 100 N 8.75 2.95 -3.28 10.12 1.02 -1.26 -4.92 120.64 134.03 2dj3 n GLU 100 Ca 0.28 -3.55 -0.39 0.00 -0.02 0.00 0.00 57.16 53.49 2dj3 n GLU 100 Cb 0.48 -2.29 -0.06 0.00 -0.02 0.00 0.00 31.44 29.55 2dj3 n GLU 100 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dj3 s GLY 101 N -2.31 2.66 0.20 0.62 0.00 -1.26 -4.98 107.32 102.24 2dj3 s GLY 101 Ca 0.61 0.02 -0.10 0.00 0.00 0.00 0.00 44.72 45.25 2dj3 s GLY 101 CO -0.01 0.47 1.75 -1.33 0.00 0.00 0.00 173.10 173.99 2dj3 h GLY 102 N 4.65 0.83 -7.56 0.20 0.00 -2.02 -3.38 103.07 95.79 2dj3 h GLY 102 Ca -0.49 -0.13 -0.67 0.00 0.00 0.00 0.00 47.33 46.04 2dj3 h GLY 102 CO 0.64 0.00 -0.55 -1.31 0.00 0.00 0.00 176.54 175.32 2dj3 s ASN 103 N -5.41 5.59 -0.91 0.19 0.01 -1.26 -4.99 114.94 108.16 2dj3 s ASN 103 Ca -0.13 -0.43 -0.05 0.00 -0.71 0.00 0.00 52.86 51.54 2dj3 s ASN 103 Cb 0.16 -2.02 0.05 0.00 0.41 0.00 0.00 41.25 39.86 2dj3 s ASN 103 CO 0.74 -0.17 2.69 -1.14 -1.51 0.00 0.00 177.10 177.71 2dj3 n ARG 104 N 4.99 3.48 -3.83 -0.60 0.63 -1.26 -4.56 116.66 115.51 2dj3 n ARG 104 Ca -0.14 -2.73 -0.23 0.00 -0.92 0.00 0.00 57.85 53.83 2dj3 n ARG 104 Cb 0.50 -2.41 -0.05 0.00 0.45 0.00 0.00 32.46 30.95 2dj3 n ARG 104 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2dj3 s ASP 105 N 0.65 4.75 0.45 6.15 1.01 -1.26 -4.95 116.67 123.47 2dj3 s ASP 105 Ca 0.58 -0.93 0.15 0.00 0.71 0.00 0.00 52.55 53.06 2dj3 s ASP 105 Cb 0.27 -0.44 1.01 0.00 1.01 0.00 0.00 42.92 44.77 2dj3 s ASP 105 CO -0.13 -0.65 1.99 0.25 0.21 0.00 0.00 175.17 176.83 2dj3 h LEU 106 N 1.17 0.00 -0.50 1.23 6.46 -1.92 0.25 115.31 122.01 2dj3 h LEU 106 Ca -0.42 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.29 2dj3 h LEU 106 Cb 1.26 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 2dj3 h LEU 106 CO 0.63 0.19 0.08 -0.08 -0.62 0.00 0.00 178.44 178.64 2dj3 h GLU 107 N 0.00 0.82 0.03 1.25 4.57 -1.95 -2.30 114.58 117.00 2dj3 h GLU 107 Ca -0.00 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 2dj3 h GLU 107 Cb 0.34 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2dj3 h GLU 107 CO 0.02 0.82 -0.39 0.45 -1.18 0.00 0.00 179.01 178.73 2dj3 h HIS 108 N 0.69 0.11 -0.66 0.92 3.86 -1.72 -3.28 115.15 115.08 2dj3 h HIS 108 Ca 0.15 -0.08 0.13 0.00 -1.16 0.00 0.00 60.37 59.41 2dj3 h HIS 108 Cb 0.39 -0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.73 2dj3 h HIS 108 CO 0.03 1.15 -0.18 -0.07 0.86 0.00 0.00 177.93 179.72 2dj3 h LEU 109 N -0.86 -0.66 -0.51 2.43 3.38 -0.58 0.56 115.31 119.07 2dj3 h LEU 109 Ca -0.09 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2dj3 h LEU 109 Cb 1.19 0.42 -0.06 0.00 0.09 0.00 0.00 40.66 42.30 2dj3 h LEU 109 CO -0.00 -0.23 0.17 0.77 0.09 0.00 0.00 178.44 179.24 2dj3 h SER 110 N -0.01 0.16 0.18 -0.43 4.64 -1.56 0.28 113.55 116.81 2dj3 h SER 110 Ca 0.31 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2dj3 h SER 110 Cb 0.49 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2dj3 h SER 110 CO -0.68 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 175.68 2dj3 n LYS 111 N -5.02 0.11 -0.07 4.77 5.02 0.12 -1.57 118.16 121.51 2dj3 n LYS 111 Ca 0.05 0.54 -0.16 0.00 -2.02 0.00 0.00 58.31 56.72 2dj3 n LYS 111 Cb 0.21 -1.80 -0.14 0.00 -0.02 0.00 0.00 35.03 33.28 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 -2.03 0.46 0.04 2.13 -0.00 0.80 -3.70 117.46 115.16 2dj3 n PHE 112 Ca -0.00 0.12 -0.13 0.00 -0.00 0.00 0.00 57.45 57.44 2dj3 n PHE 112 Cb 0.07 -1.07 -0.09 0.00 -0.00 0.00 0.00 39.48 38.40 2dj3 n PHE 112 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2dj3 h ILE 113 N 0.02 1.13 0.72 -2.13 2.04 -0.23 -2.97 117.51 116.08 2dj3 h ILE 113 Ca -0.49 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 2dj3 h ILE 113 Cb 2.02 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 2dj3 h ILE 113 CO 0.00 0.24 -0.40 0.44 0.00 0.00 0.00 178.15 178.44 2dj3 h ASP 114 N -0.62 -0.98 -0.91 1.72 3.32 -1.52 0.82 116.42 118.25 2dj3 h ASP 114 Ca -0.01 0.05 0.12 0.00 0.02 0.00 0.00 57.03 57.21 2dj3 h ASP 114 Cb 0.50 0.27 -0.14 0.00 0.22 0.00 0.00 39.33 40.18 2dj3 h ASP 114 CO 0.02 -0.64 -0.44 -0.33 -1.72 0.00 0.00 179.24 176.13 2dj3 h GLU 115 N -1.04 -0.05 -0.04 3.56 4.39 -1.68 0.44 114.58 120.18 2dj3 h GLU 115 Ca -0.09 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.47 2dj3 h GLU 115 Cb 0.82 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2dj3 h GLU 115 CO 0.12 -0.03 -0.60 0.45 -1.16 0.00 0.00 179.01 177.79 2dj3 h HIS 116 N -0.05 0.17 -1.20 4.33 3.86 -1.42 -3.45 115.15 117.39 2dj3 h HIS 116 Ca 0.27 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 2dj3 h HIS 116 Cb 0.54 -0.03 0.03 0.00 1.06 0.00 0.00 27.41 29.01 2dj3 h HIS 116 CO -0.87 0.70 -0.02 0.00 0.86 0.00 0.00 177.93 178.60 2dj3 n ALA 117 N -2.45 -0.64 -1.87 2.45 0.00 0.28 -2.29 120.51 116.00 2dj3 n ALA 117 Ca -0.02 -0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 2dj3 n ALA 117 Cb 0.61 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 2dj3 n ALA 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dj3 n THR 118 N -3.32 -0.36 -3.45 0.00 -1.04 -1.26 -2.58 114.28 102.27 2dj3 n THR 118 Ca 0.02 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.83 2dj3 n THR 118 Cb 0.07 -1.94 0.08 0.00 -1.82 0.00 0.00 70.33 66.72 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 -2.50 -6.97 -3.36 -2.82 3.00 -1.26 -4.96 118.16 99.28 2dj3 n LYS 119 Ca -0.16 0.79 -0.45 0.00 -0.00 0.00 0.00 58.31 58.49 2dj3 n LYS 119 Cb 0.57 -5.68 -0.07 0.00 0.00 0.00 0.00 35.03 29.84 2dj3 n LYS 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2dj3 s ARG 120 N -5.82 2.99 -0.21 1.64 0.52 -0.97 -5.01 118.95 112.08 2dj3 s ARG 120 Ca 0.31 -1.41 -0.28 0.00 -0.52 0.00 0.00 55.73 53.83 2dj3 s ARG 120 Cb -0.14 -4.17 0.13 0.00 0.52 0.00 0.00 34.95 31.29 2dj3 s ARG 120 CO 0.69 -1.11 1.04 0.45 0.02 0.00 0.00 175.30 176.39 2dj3 s SER 121 N 2.85 -0.37 -0.41 0.23 0.15 -1.26 -4.75 113.70 110.14 2dj3 s SER 121 Ca 0.04 0.55 0.01 0.00 0.70 0.00 0.00 55.95 57.26 2dj3 s SER 121 Cb -0.25 0.50 0.13 0.00 -1.71 0.00 0.00 66.02 64.68 2dj3 s SER 121 CO 0.06 -0.25 0.21 -0.60 1.20 0.00 0.00 173.24 173.86 2dj3 s ARG 122 N -0.56 1.13 -0.11 5.44 3.52 -1.26 -5.09 118.95 122.02 2dj3 s ARG 122 Ca 0.01 -1.79 -0.10 0.00 -0.13 0.00 0.00 55.73 53.72 2dj3 s ARG 122 Cb -0.02 -2.21 0.03 0.00 -1.56 0.00 0.00 34.95 31.19 2dj3 s ARG 122 CO -0.02 -1.13 0.28 0.99 -0.81 0.00 0.00 175.30 174.61 2dj3 s THR 123 N 0.64 0.00 -0.01 4.11 2.01 -1.26 -5.12 115.64 116.01 2dj3 s THR 123 Ca 0.16 -0.01 -0.36 0.00 0.31 0.00 0.00 61.69 61.79 2dj3 s THR 123 Cb -0.23 -0.40 -0.18 0.00 0.01 0.00 0.00 72.50 71.70 2dj3 s THR 123 CO -0.04 -0.00 0.97 2.29 -0.69 0.00 0.00 174.62 177.15 2dj3 n LYS 124 N 2.90 0.00 -3.39 4.92 2.85 -1.26 -4.91 118.16 119.28 2dj3 n LYS 124 Ca -0.13 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.82 2dj3 n LYS 124 Cb 0.58 -1.35 -0.05 0.00 -0.65 0.00 0.00 35.03 33.56 2dj3 n LYS 124 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2dj3 s GLU 125 N 0.04 3.77 -0.06 -1.58 2.02 -1.26 -4.99 118.70 116.64 2dj3 s GLU 125 Ca 0.82 0.23 -0.12 0.00 0.02 0.00 0.00 54.97 55.92 2dj3 s GLU 125 Cb -1.15 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 30.47 2dj3 s GLU 125 CO 0.52 0.29 0.29 -2.00 0.02 0.00 0.00 175.26 174.37 2dj3 s GLU 126 N -2.98 0.50 -0.27 1.61 2.56 -1.26 -5.11 118.70 113.75 2dj3 s GLU 126 Ca 0.47 0.08 -0.28 0.00 0.00 0.00 0.00 54.97 55.24 2dj3 s GLU 126 Cb -0.11 0.23 -0.04 0.00 2.00 0.00 0.00 34.13 36.21 2dj3 s GLU 126 CO 0.23 -0.11 2.10 -0.51 -0.56 0.00 0.00 175.26 176.41 2dj3 s LEU 127 N -0.62 3.45 0.74 2.70 2.01 -1.26 -4.97 118.68 120.74 2dj3 s LEU 127 Ca -0.07 1.67 -0.09 0.00 0.01 0.00 0.00 54.13 55.64 2dj3 s LEU 127 Cb -0.04 -3.47 0.06 0.00 0.01 0.00 0.00 46.19 42.75 2dj3 s LEU 127 CO 0.02 -1.93 1.08 -0.94 1.01 0.00 0.00 176.35 175.60 2dj3 s SER 128 N 7.78 4.85 -0.25 2.29 1.04 -1.26 -5.03 113.70 123.12 2dj3 s SER 128 Ca 0.94 0.71 -0.21 0.00 0.48 0.00 0.00 55.95 57.86 2dj3 s SER 128 Cb -0.29 -1.34 -0.02 0.00 0.10 0.00 0.00 66.02 64.47 2dj3 s SER 128 CO 0.34 -1.64 0.66 -0.83 0.98 0.00 0.00 173.24 172.75 2dj3 s GLY 129 N -4.50 1.83 1.20 7.32 0.00 -1.26 -5.06 107.32 106.85 2dj3 s GLY 129 Ca 0.60 -0.37 -0.19 0.00 0.00 0.00 0.00 44.72 44.76 2dj3 s GLY 129 CO 0.47 1.49 1.11 2.56 0.00 0.00 0.00 173.10 178.73 2dj3 s PRO 130 N 2.49 -1.24 0.27 2.90 0.04 -1.26 -5.06 135.00 133.14 2dj3 s PRO 130 Ca 0.28 -0.08 -0.01 0.00 0.04 0.00 0.00 61.00 61.23 2dj3 s PRO 130 Cb -0.15 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 2dj3 s PRO 130 CO 0.08 -3.72 0.28 -1.12 0.04 0.00 0.00 177.00 172.56 2dj3 s SER 131 N -3.90 0.65 -0.22 6.66 0.01 -1.26 -5.13 113.70 110.51 2dj3 s SER 131 Ca 0.71 -1.44 -0.27 0.00 1.31 0.00 0.00 55.95 56.26 2dj3 s SER 131 Cb -0.10 0.51 -0.00 0.00 0.21 0.00 0.00 66.02 66.64 2dj3 s SER 131 CO 0.56 -1.03 0.94 -0.55 0.41 0.00 0.00 173.24 173.57 2dj3 s SER 132 N -3.21 7.00 0.00 2.44 0.15 -1.26 -5.30 113.70 113.52 2dj3 s SER 132 Ca 0.36 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.25 2dj3 s SER 132 Cb 0.03 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2dj3 s SER 132 CO 0.17 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.66