#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 4.66 0.11 1.61 1.04 -1.26 -4.93 113.70 114.93 2dj3 s SER 2 Ca 0.00 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2dj3 s SER 2 Cb 0.00 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.38 2dj3 s SER 2 CO 0.00 -0.17 0.00 -0.24 0.98 0.00 0.00 173.24 173.81 2dj3 n SER 3 N 4.72 0.55 0.00 7.02 2.88 -1.26 -5.11 113.62 122.42 2dj3 n SER 3 Ca -0.15 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2dj3 n SER 3 Cb 0.47 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2dj3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 4 N 2.86 -0.02 2.46 0.46 0.00 -1.26 -5.04 105.19 104.65 2dj3 n GLY 4 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 46.02 46.40 2dj3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dj3 n SER 5 N 0.00 6.72 -4.33 1.61 7.64 -1.26 -4.86 113.62 119.15 2dj3 n SER 5 Ca 0.00 -3.15 -0.42 0.00 1.01 0.00 0.00 58.87 56.30 2dj3 n SER 5 Cb 0.00 -1.27 -0.00 0.00 -1.01 0.00 0.00 64.21 61.93 2dj3 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dj3 n SER 6 N 1.14 4.57 -1.12 6.43 2.88 -1.26 -4.31 113.62 121.95 2dj3 n SER 6 Ca 0.51 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 2dj3 n SER 6 Cb 0.51 -1.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 2dj3 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dj3 n GLY 7 N 5.03 -0.32 0.17 0.46 0.00 -1.26 -5.01 105.19 104.25 2dj3 n GLY 7 Ca 0.50 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 0.51 -6.24 1.61 0.13 -1.85 -3.43 132.00 122.73 2dj3 h PRO 8 Ca 0.00 -0.27 -0.56 0.00 -0.87 0.00 0.00 66.00 64.30 2dj3 h PRO 8 Cb 0.03 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.17 2dj3 h PRO 8 CO 0.00 0.85 1.25 0.08 -0.23 0.00 0.00 178.00 179.95 2dj3 s VAL 9 N -4.33 3.27 0.34 1.56 1.01 -1.26 -4.70 120.40 116.28 2dj3 s VAL 9 Ca -0.13 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 2dj3 s VAL 9 Cb 0.07 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 2dj3 s VAL 9 CO 0.79 -0.09 1.12 -0.75 0.00 0.00 0.00 175.10 176.17 2dj3 s LYS 10 N 4.92 4.39 -0.14 2.72 2.20 -1.14 -4.79 119.74 127.90 2dj3 s LYS 10 Ca 0.85 1.78 -0.12 0.00 -0.36 0.00 0.00 55.97 58.12 2dj3 s LYS 10 Cb -0.34 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 2dj3 s LYS 10 CO 0.35 -0.01 0.25 0.14 -0.36 0.00 0.00 175.35 175.72 2dj3 s VAL 11 N -1.32 5.32 -0.14 4.02 -7.23 -1.26 0.46 120.40 120.25 2dj3 s VAL 11 Ca 0.50 0.47 0.03 0.00 -1.81 0.00 0.00 61.98 61.17 2dj3 s VAL 11 Cb -0.30 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.07 2dj3 s VAL 11 CO 0.39 0.47 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.73 2dj3 s VAL 12 N -0.03 2.06 0.49 1.32 1.01 0.80 -4.88 120.40 121.17 2dj3 s VAL 12 Ca 0.16 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.24 2dj3 s VAL 12 Cb -0.13 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.48 2dj3 s VAL 12 CO 0.04 0.55 0.68 0.68 0.00 0.00 0.00 175.10 177.05 2dj3 s VAL 13 N 0.76 2.58 0.37 2.92 -7.23 -1.26 -4.22 120.40 114.32 2dj3 s VAL 13 Ca -0.08 -1.00 0.05 0.00 -1.81 0.00 0.00 61.98 59.13 2dj3 s VAL 13 Cb -0.16 -2.59 0.23 0.00 0.56 0.00 0.00 36.38 34.43 2dj3 s VAL 13 CO -0.01 0.00 1.99 1.23 -0.31 0.00 0.00 175.10 178.00 2dj3 h GLY 14 N 0.42 0.68 2.00 2.32 0.00 -1.93 0.78 103.07 107.35 2dj3 h GLY 14 Ca -0.35 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 2dj3 h GLY 14 CO 0.43 0.28 -0.19 0.07 0.00 0.00 0.00 176.54 177.13 2dj3 h LYS 15 N 0.64 0.00 0.00 4.80 2.10 -1.96 -3.09 116.57 119.06 2dj3 h LYS 15 Ca 0.16 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2dj3 h LYS 15 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 2dj3 h LYS 15 CO -0.02 0.19 -0.18 0.25 -2.00 0.00 0.00 179.45 177.69 2dj3 n THR 16 N -3.31 1.87 -0.07 0.07 -2.24 -0.55 -4.74 114.28 105.30 2dj3 n THR 16 Ca 0.01 -2.44 -0.13 0.00 -2.27 0.00 0.00 64.05 59.22 2dj3 n THR 16 Cb 0.44 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.30 0.00 0.00 4.78 3.04 0.63 -2.18 116.94 123.51 2dj3 h PHE 17 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2dj3 h PHE 17 Cb 1.03 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.54 2dj3 h PHE 17 CO 0.22 0.91 0.00 -0.25 -2.02 0.00 0.00 178.31 177.17 2dj3 n ASP 18 N -4.61 0.00 -0.12 0.41 9.92 -1.26 -1.19 116.55 119.71 2dj3 n ASP 18 Ca -0.12 0.22 -0.22 0.00 -0.53 0.00 0.00 54.79 54.14 2dj3 n ASP 18 Cb 0.44 -0.36 -0.12 0.00 -0.64 0.00 0.00 41.12 40.44 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 -1.36 1.26 -0.00 2.24 0.00 -1.24 -4.19 120.51 117.21 2dj3 n ALA 19 Ca 0.06 -1.01 -0.00 0.00 0.00 0.00 0.00 53.44 52.49 2dj3 n ALA 19 Cb 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -3.68 0.01 -0.03 0.00 5.41 -0.82 -3.43 119.36 116.81 2dj3 n ILE 20 Ca -0.46 0.50 0.24 0.00 1.00 0.00 0.00 62.75 64.02 2dj3 n ILE 20 Cb 0.94 -1.51 0.72 0.00 -0.71 0.00 0.00 39.64 39.08 2dj3 n ILE 20 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dj3 h VAL 21 N -0.01 0.43 -0.76 1.39 2.07 -1.31 0.23 116.25 118.28 2dj3 h VAL 21 Ca 0.00 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.99 2dj3 h VAL 21 Cb 0.01 0.57 -0.33 0.00 -1.52 0.00 0.00 31.29 30.02 2dj3 h VAL 21 CO 0.00 0.00 -0.12 0.23 0.02 0.00 0.00 177.57 177.70 2dj3 n MET 22 N -3.91 2.98 -2.96 1.57 2.81 -0.64 -4.64 117.12 112.33 2dj3 n MET 22 Ca 0.13 -3.70 -0.43 0.00 -1.81 0.00 0.00 57.70 51.89 2dj3 n MET 22 Cb 0.81 -2.20 -0.05 0.00 -0.71 0.00 0.00 33.22 31.07 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 -2.81 6.38 0.00 7.83 -1.08 0.80 -4.67 116.67 123.12 2dj3 s ASP 23 Ca 0.55 -0.23 0.10 0.00 -0.52 0.00 0.00 52.55 52.44 2dj3 s ASP 23 Cb 0.44 -2.39 0.57 0.00 -1.46 0.00 0.00 42.92 40.09 2dj3 s ASP 23 CO 0.02 -0.97 1.01 -0.81 0.52 0.00 0.00 175.17 174.94 2dj3 n PRO 24 N 6.81 0.49 0.05 4.34 -0.04 -1.26 -2.20 135.00 143.19 2dj3 n PRO 24 Ca 0.01 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2dj3 n PRO 24 Cb 0.48 -1.31 0.16 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.81 0.25 -3.61 0.54 5.02 -1.26 -4.62 118.16 113.66 2dj3 n LYS 25 Ca 0.07 0.06 -0.05 0.00 -2.02 0.00 0.00 58.31 56.37 2dj3 n LYS 25 Cb 0.03 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.36 2dj3 n LYS 25 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2dj3 s LYS 26 N -3.15 0.27 -0.12 1.97 -2.85 -0.93 -4.92 119.74 110.00 2dj3 s LYS 26 Ca 0.07 0.02 -0.29 0.00 -1.00 0.00 0.00 55.97 54.76 2dj3 s LYS 26 Cb 0.14 0.12 -0.02 0.00 -2.06 0.00 0.00 37.83 36.01 2dj3 s LYS 26 CO 0.73 -0.09 1.28 -0.51 0.10 0.00 0.00 175.35 176.86 2dj3 s ASP 27 N -1.30 6.95 -0.14 0.03 1.11 -0.90 -4.18 116.67 118.24 2dj3 s ASP 27 Ca 0.06 1.78 -0.02 0.00 0.18 0.00 0.00 52.55 54.54 2dj3 s ASP 27 Cb -0.01 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.42 2dj3 s ASP 27 CO -0.04 -0.73 -0.08 -0.69 1.18 0.00 0.00 175.17 174.81 2dj3 s VAL 28 N 3.16 3.55 -0.53 -1.27 1.01 -0.95 -3.21 120.40 122.17 2dj3 s VAL 28 Ca 0.57 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 2dj3 s VAL 28 Cb -0.24 -2.53 0.09 0.00 0.00 0.00 0.00 36.38 33.70 2dj3 s VAL 28 CO 0.18 0.51 0.56 -0.22 0.00 0.00 0.00 175.10 176.12 2dj3 s LEU 29 N 0.35 5.50 -0.06 3.92 2.96 -1.15 -1.66 118.68 128.55 2dj3 s LEU 29 Ca -0.07 -1.34 -0.14 0.00 -0.22 0.00 0.00 54.13 52.37 2dj3 s LEU 29 Cb -0.15 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 2dj3 s LEU 29 CO 0.04 -0.88 0.35 -0.51 -1.32 0.00 0.00 176.35 174.04 2dj3 s ILE 30 N 2.16 5.17 -0.21 6.68 1.10 0.21 -0.96 121.20 135.35 2dj3 s ILE 30 Ca 0.09 0.70 -0.00 0.00 -0.51 0.00 0.00 60.65 60.93 2dj3 s ILE 30 Cb -0.24 -3.66 0.06 0.00 0.15 0.00 0.00 42.46 38.77 2dj3 s ILE 30 CO 0.07 0.53 -0.03 -0.70 -2.11 0.00 0.00 174.94 172.70 2dj3 s GLU 31 N -0.62 1.35 -0.50 3.50 -6.30 -1.06 0.59 118.70 115.66 2dj3 s GLU 31 Ca 0.21 -0.77 -0.28 0.00 -2.50 0.00 0.00 54.97 51.63 2dj3 s GLU 31 Cb -0.15 -2.38 0.01 0.00 0.00 0.00 0.00 34.13 31.61 2dj3 s GLU 31 CO 0.10 -0.58 1.44 -0.06 0.02 0.00 0.00 175.26 176.18 2dj3 s PHE 32 N 1.55 2.29 0.16 5.30 0.08 0.31 -2.38 117.98 125.30 2dj3 s PHE 32 Ca -0.04 0.56 0.06 0.00 0.12 0.00 0.00 56.93 57.63 2dj3 s PHE 32 Cb -0.18 -4.35 -0.04 0.00 -0.57 0.00 0.00 43.02 37.89 2dj3 s PHE 32 CO -0.07 -2.01 0.07 1.52 -0.10 0.00 0.00 175.22 174.64 2dj3 s TYR 33 N 5.97 3.02 -0.13 0.36 -0.85 -0.80 -2.07 117.35 122.85 2dj3 s TYR 33 Ca 0.57 -0.06 0.02 0.00 -0.52 0.00 0.00 57.07 57.07 2dj3 s TYR 33 Cb -0.12 -1.46 -0.00 0.00 0.38 0.00 0.00 41.96 40.76 2dj3 s TYR 33 CO 0.28 0.52 -0.20 0.00 -1.52 0.00 0.00 175.55 174.63 2dj3 s ALA 34 N -1.71 2.34 -2.00 9.51 0.00 -1.26 -4.17 121.76 124.48 2dj3 s ALA 34 Ca 0.29 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.37 2dj3 s ALA 34 Cb -0.10 -1.02 0.66 0.00 0.00 0.00 0.00 23.12 22.67 2dj3 s ALA 34 CO 0.21 0.15 1.09 -0.35 0.00 0.00 0.00 175.76 176.86 2dj3 n PRO 35 N 3.75 0.49 -0.02 0.00 -0.04 -1.26 -1.81 135.00 136.11 2dj3 n PRO 35 Ca -0.19 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.28 2dj3 n PRO 35 Cb 0.52 -1.36 0.02 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.86 0.00 -4.43 0.54 4.27 -1.26 -5.01 117.44 110.69 2dj3 n TRP 36 Ca 0.08 -0.54 -0.34 0.00 -3.89 0.00 0.00 57.50 52.81 2dj3 n TRP 36 Cb 0.04 -0.06 -0.12 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 6.72 0.11 2.00 0.00 0.00 -1.95 -2.73 103.07 107.23 2dj3 h GLY 38 Ca -0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2dj3 h GLY 38 CO 0.62 0.09 -0.14 0.45 0.00 0.00 0.00 176.54 177.56 2dj3 h HIS 39 N 0.09 0.00 -0.06 5.60 3.86 -1.94 -1.94 115.15 120.76 2dj3 h HIS 39 Ca 0.01 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2dj3 h HIS 39 Cb 0.74 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 2dj3 h HIS 39 CO 0.01 0.14 -0.56 0.00 0.86 0.00 0.00 177.93 178.37 2dj3 h LYS 41 N 0.14 0.68 0.00 0.00 1.57 -1.40 0.56 116.57 118.12 2dj3 h LYS 41 Ca -0.00 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 2dj3 h LYS 41 Cb 1.03 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2dj3 h LYS 41 CO 0.08 0.85 -0.48 -0.56 -0.57 0.00 0.00 179.45 178.78 2dj3 h GLN 42 N 0.46 0.00 0.00 3.15 3.07 -1.49 -3.03 115.11 117.27 2dj3 h GLN 42 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.65 2dj3 h GLN 42 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.15 2dj3 h GLN 42 CO 0.04 0.48 -1.21 1.25 0.09 0.00 0.00 178.83 179.48 2dj3 h LEU 43 N 0.00 0.00 -0.72 0.06 5.85 -1.23 -3.37 115.31 115.91 2dj3 h LEU 43 Ca -0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.79 2dj3 h LEU 43 Cb 0.94 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.88 2dj3 h LEU 43 CO 0.06 0.66 -0.39 -0.62 -0.34 0.00 0.00 178.44 177.81 2dj3 n GLU 44 N -3.03 -0.28 -0.07 1.25 1.02 0.19 0.12 120.64 119.84 2dj3 n GLU 44 Ca -0.07 1.09 -0.13 0.00 -0.02 0.00 0.00 57.16 58.03 2dj3 n GLU 44 Cb 0.86 -1.60 -0.06 0.00 -0.02 0.00 0.00 31.44 30.61 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 0.51 -0.92 3.49 0.13 -1.75 -2.43 132.00 131.03 2dj3 h PRO 45 Ca 0.15 -0.27 0.18 0.00 -0.87 0.00 0.00 66.00 65.19 2dj3 h PRO 45 Cb 0.33 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.39 2dj3 h PRO 45 CO -0.68 0.85 0.59 0.82 -0.23 0.00 0.00 178.00 179.35 2dj3 h ILE 46 N 0.19 0.74 0.06 -3.56 2.04 -0.79 0.16 117.51 116.36 2dj3 h ILE 46 Ca 0.03 -0.20 -0.24 0.00 1.00 0.00 0.00 64.86 65.45 2dj3 h ILE 46 Cb 0.75 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2dj3 h ILE 46 CO 0.05 0.11 -1.09 0.22 0.00 0.00 0.00 178.15 177.44 2dj3 h TYR 47 N 0.58 0.33 0.12 1.37 3.20 -0.27 -3.15 116.97 119.16 2dj3 h TYR 47 Ca 0.48 -0.23 0.01 0.00 3.14 0.00 0.00 58.73 62.13 2dj3 h TYR 47 Cb 0.95 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 2dj3 h TYR 47 CO -0.00 1.14 -0.38 1.15 -1.64 0.00 0.00 178.16 178.43 2dj3 h THR 48 N 0.07 0.00 -0.67 1.81 2.02 -0.45 -1.55 112.91 114.14 2dj3 h THR 48 Ca -0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.12 2dj3 h THR 48 Cb 1.80 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 2dj3 h THR 48 CO 0.17 0.00 0.44 0.28 0.37 0.00 0.00 175.52 176.78 2dj3 h SER 49 N -0.56 0.73 -0.48 4.18 0.02 -1.65 -1.05 113.55 114.75 2dj3 h SER 49 Ca -0.01 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.04 2dj3 h SER 49 Cb 0.55 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2dj3 h SER 49 CO -0.19 0.52 0.34 0.25 -1.14 0.00 0.00 176.83 176.61 2dj3 h LEU 50 N 0.86 0.13 0.00 5.07 5.85 -1.33 -0.61 115.31 125.27 2dj3 h LEU 50 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2dj3 h LEU 50 Cb -0.03 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2dj3 h LEU 50 CO -0.06 0.07 -0.48 1.23 -0.34 0.00 0.00 178.44 178.86 2dj3 h GLY 51 N 0.14 0.00 -0.56 3.75 0.00 -0.27 -3.06 103.07 103.07 2dj3 h GLY 51 Ca 0.23 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.91 2dj3 h GLY 51 CO -0.03 0.00 0.85 0.07 0.00 0.00 0.00 176.54 177.43 2dj3 h LYS 52 N -0.96 0.13 0.23 4.80 2.10 -1.27 0.89 116.57 122.50 2dj3 h LYS 52 Ca 0.00 -0.01 -0.33 0.00 -2.00 0.00 0.00 60.65 58.31 2dj3 h LYS 52 Cb 0.48 -0.03 0.04 0.00 -0.90 0.00 0.00 32.23 31.82 2dj3 h LYS 52 CO 0.00 0.08 -1.43 1.57 -2.00 0.00 0.00 179.45 177.67 2dj3 h LYS 53 N 0.13 0.56 -0.02 0.07 2.10 -1.28 -3.23 116.57 114.89 2dj3 h LYS 53 Ca 0.65 -0.91 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2dj3 h LYS 53 Cb 2.22 0.33 0.00 0.00 -0.90 0.00 0.00 32.23 33.89 2dj3 h LYS 53 CO -0.16 1.43 0.00 0.66 -2.00 0.00 0.00 179.45 179.38 2dj3 n TYR 54 N -3.74 0.02 -0.26 0.07 4.02 0.13 -3.86 117.16 113.54 2dj3 n TYR 54 Ca -0.16 -0.01 -0.06 0.00 -0.01 0.00 0.00 57.90 57.66 2dj3 n TYR 54 Cb 1.08 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.46 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 0.87 1.02 -1.46 -0.72 1.79 0.54 -2.50 116.57 116.10 2dj3 h LYS 55 Ca 0.00 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.29 2dj3 h LYS 55 Cb 0.19 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2dj3 h LYS 55 CO 0.00 0.78 0.06 0.41 -1.08 0.00 0.00 179.45 179.62 2dj3 n GLY 56 N -1.04 2.49 4.03 3.86 0.00 -1.25 -4.86 105.19 108.42 2dj3 n GLY 56 Ca 0.06 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.29 2.00 -0.33 1.61 -1.52 -0.94 -5.08 119.66 115.11 2dj3 s GLN 57 Ca 0.05 -1.55 -0.16 0.00 -1.95 0.00 0.00 55.36 51.76 2dj3 s GLN 57 Cb 0.04 -2.53 -0.02 0.00 -0.22 0.00 0.00 33.01 30.28 2dj3 s GLN 57 CO 0.00 -1.15 0.40 0.15 -0.25 0.00 0.00 175.29 174.44 2dj3 s LYS 58 N -4.87 3.68 -1.36 2.91 -0.14 -1.26 -4.46 119.74 114.24 2dj3 s LYS 58 Ca 0.65 -0.26 -0.09 0.00 -1.36 0.00 0.00 55.97 54.91 2dj3 s LYS 58 Cb -0.05 -3.77 0.01 0.00 -1.68 0.00 0.00 37.83 32.34 2dj3 s LYS 58 CO 0.42 -0.49 0.42 -0.25 -0.76 0.00 0.00 175.35 174.69 2dj3 n ASP 59 N 5.45 -1.45 -3.67 2.83 8.00 -1.26 -4.66 116.55 121.78 2dj3 n ASP 59 Ca -0.08 -1.12 -0.14 0.00 0.71 0.00 0.00 54.79 54.16 2dj3 n ASP 59 Cb 0.50 -2.55 -0.14 0.00 -0.02 0.00 0.00 41.12 38.91 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 -7.06 -0.17 -0.21 0.64 2.96 -1.26 -2.11 118.68 111.47 2dj3 s LEU 60 Ca 0.16 0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 2dj3 s LEU 60 Cb -0.07 0.64 0.07 0.00 0.50 0.00 0.00 46.19 47.32 2dj3 s LEU 60 CO 0.92 -0.23 0.06 -0.69 -1.32 0.00 0.00 176.35 175.09 2dj3 s VAL 61 N 2.24 0.39 -0.50 1.68 1.01 -1.20 -4.64 120.40 119.38 2dj3 s VAL 61 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 2dj3 s VAL 61 Cb -0.12 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2dj3 s VAL 61 CO -0.08 -0.32 1.38 -0.63 0.00 0.00 0.00 175.10 175.46 2dj3 s ILE 62 N 1.91 3.87 0.44 2.22 1.01 -1.26 -2.95 121.20 126.44 2dj3 s ILE 62 Ca 0.01 0.82 0.06 0.00 0.00 0.00 0.00 60.65 61.55 2dj3 s ILE 62 Cb -0.17 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 2dj3 s ILE 62 CO -0.12 -1.01 0.16 0.00 0.00 0.00 0.00 174.94 173.97 2dj3 s ALA 63 N 5.67 3.69 0.02 9.38 0.00 -0.13 -2.87 121.76 137.52 2dj3 s ALA 63 Ca 0.55 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 2dj3 s ALA 63 Cb -0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2dj3 s ALA 63 CO 0.29 -0.17 0.02 -1.59 0.00 0.00 0.00 175.76 174.30 2dj3 s LYS 64 N -3.92 0.41 0.05 0.00 -2.85 0.17 -2.55 119.74 111.05 2dj3 s LYS 64 Ca 0.35 -0.64 -0.01 0.00 -1.00 0.00 0.00 55.97 54.67 2dj3 s LYS 64 Cb 0.04 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 2dj3 s LYS 64 CO 0.19 -0.08 -0.03 1.41 0.10 0.00 0.00 175.35 176.94 2dj3 s MET 65 N -1.81 0.56 -0.93 1.78 1.75 -1.00 -0.14 119.30 119.51 2dj3 s MET 65 Ca -0.12 -1.08 -0.13 0.00 -1.25 0.00 0.00 55.69 53.11 2dj3 s MET 65 Cb -0.07 0.15 0.23 0.00 2.84 0.00 0.00 34.83 37.98 2dj3 s MET 65 CO -0.02 -0.09 0.90 -0.51 -0.65 0.00 0.00 175.02 174.66 2dj3 s ASP 66 N -2.57 6.94 0.55 1.11 1.11 -1.26 -1.90 116.67 120.64 2dj3 s ASP 66 Ca 0.02 -2.95 0.35 0.00 0.18 0.00 0.00 52.55 50.15 2dj3 s ASP 66 Cb 0.03 -2.22 1.91 0.00 1.07 0.00 0.00 42.92 43.71 2dj3 s ASP 66 CO -0.07 -0.51 2.07 0.00 1.18 0.00 0.00 175.17 177.84 2dj3 h ALA 67 N 7.47 1.04 0.00 5.23 0.00 -1.76 0.29 119.26 131.54 2dj3 h ALA 67 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2dj3 h ALA 67 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2dj3 h ALA 67 CO 0.86 -0.04 -0.27 1.79 0.00 0.00 0.00 179.25 181.58 2dj3 h THR 68 N 0.00 0.70 0.00 0.00 1.35 -1.89 -3.36 112.91 109.71 2dj3 h THR 68 Ca 0.00 -1.20 -0.15 0.00 -0.55 0.00 0.00 66.41 64.51 2dj3 h THR 68 Cb 0.09 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 2dj3 h THR 68 CO 0.00 0.27 -1.51 0.00 -0.25 0.00 0.00 175.52 174.02 2dj3 n ALA 69 N -2.27 2.20 -2.70 6.62 0.00 -0.01 -5.00 120.51 119.36 2dj3 n ALA 69 Ca -0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 2dj3 n ALA 69 Cb 0.43 0.35 -0.04 0.00 0.00 0.00 0.00 19.45 20.20 2dj3 n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dj3 s ASN 70 N -5.50 7.13 -0.41 0.00 0.01 0.82 -5.02 114.94 111.97 2dj3 s ASN 70 Ca -0.13 1.37 -0.24 0.00 -0.71 0.00 0.00 52.86 53.15 2dj3 s ASN 70 Cb 0.04 -2.48 0.02 0.00 0.41 0.00 0.00 41.25 39.24 2dj3 s ASN 70 CO 0.18 -0.24 0.86 -1.81 -1.51 0.00 0.00 177.10 174.57 2dj3 s ASP 71 N 0.96 6.53 -0.52 -1.22 1.01 -1.26 -4.33 116.67 117.83 2dj3 s ASP 71 Ca 0.43 0.22 -0.26 0.00 0.71 0.00 0.00 52.55 53.65 2dj3 s ASP 71 Cb -0.19 -2.42 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 2dj3 s ASP 71 CO 0.20 -0.90 2.34 -0.63 0.21 0.00 0.00 175.17 176.40 2dj3 s ILE 72 N 3.42 3.05 0.29 0.77 1.01 -1.26 -4.81 121.20 123.67 2dj3 s ILE 72 Ca 0.34 0.03 0.03 0.00 0.00 0.00 0.00 60.65 61.04 2dj3 s ILE 72 Cb -0.12 -3.13 0.28 0.00 0.01 0.00 0.00 42.46 39.50 2dj3 s ILE 72 CO 0.21 -0.13 1.81 0.71 0.00 0.00 0.00 174.94 177.54 2dj3 h THR 73 N 7.59 0.82 -1.58 2.92 1.35 -1.93 -3.42 112.91 118.66 2dj3 h THR 73 Ca -0.23 -0.30 -0.14 0.00 -0.55 0.00 0.00 66.41 65.19 2dj3 h THR 73 Cb 1.24 -0.13 0.08 0.00 -1.73 0.00 0.00 68.15 67.62 2dj3 h THR 73 CO 1.16 0.16 -0.07 0.59 -0.25 0.00 0.00 175.52 177.11 2dj3 n ASN 74 N -4.70 -2.55 0.00 5.36 4.13 -1.26 -5.00 115.26 111.24 2dj3 n ASN 74 Ca 0.20 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.13 2dj3 n ASN 74 Cb 0.44 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 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 -2.12 1.68 0.27 6.41 9.92 -1.26 -4.77 116.55 126.68 2dj3 n ASP 75 Ca 0.05 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.45 2dj3 n ASP 75 Cb 0.23 0.11 0.74 0.00 -0.64 0.00 0.00 41.12 41.56 2dj3 n ASP 75 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 2dj3 h GLN 76 N 0.00 0.00 -5.16 -1.24 3.07 -1.94 -3.40 115.11 106.43 2dj3 h GLN 76 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 58.65 58.10 2dj3 h GLN 76 Cb 0.37 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 27.77 2dj3 h GLN 76 CO 0.00 0.10 -0.14 0.71 0.09 0.00 0.00 178.83 179.59 2dj3 s TYR 77 N -4.04 3.21 -0.03 0.06 1.51 -1.26 -4.79 117.35 112.01 2dj3 s TYR 77 Ca -0.02 0.22 0.05 0.00 -1.01 0.00 0.00 57.07 56.31 2dj3 s TYR 77 Cb 0.12 -2.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.19 2dj3 s TYR 77 CO 0.57 -0.43 -0.18 0.15 -1.11 0.00 0.00 175.55 174.55 2dj3 s LYS 78 N 2.23 1.59 -0.41 -0.62 -0.14 -1.26 -4.94 119.74 116.19 2dj3 s LYS 78 Ca 0.17 -0.63 -0.06 0.00 -1.36 0.00 0.00 55.97 54.08 2dj3 s LYS 78 Cb -0.16 -1.47 0.09 0.00 -1.68 0.00 0.00 37.83 34.61 2dj3 s LYS 78 CO 0.12 0.33 0.23 0.08 -0.76 0.00 0.00 175.35 175.35 2dj3 s VAL 79 N -0.24 3.81 -0.14 3.17 1.01 -1.26 -4.90 120.40 121.84 2dj3 s VAL 79 Ca 0.03 -1.65 0.18 0.00 0.00 0.00 0.00 61.98 60.54 2dj3 s VAL 79 Cb -0.09 -3.42 -0.25 0.00 0.00 0.00 0.00 36.38 32.62 2dj3 s VAL 79 CO 0.00 -0.56 0.30 -0.62 0.00 0.00 0.00 175.10 174.22 2dj3 n GLU 80 N 4.79 0.67 -3.63 2.72 1.02 -1.26 -4.99 120.64 119.96 2dj3 n GLU 80 Ca -0.08 0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.98 2dj3 n GLU 80 Cb 0.42 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 2dj3 n GLU 80 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dj3 s GLY 81 N -5.21 -0.45 0.12 0.62 0.00 -1.26 -5.17 107.32 95.97 2dj3 s GLY 81 Ca -0.08 2.29 -0.02 0.00 0.00 0.00 0.00 44.72 46.91 2dj3 s GLY 81 CO 0.84 1.93 0.30 -1.36 0.00 0.00 0.00 173.10 174.81 2dj3 s PHE 82 N 0.62 3.50 0.97 1.90 0.40 -1.26 -4.04 117.98 120.06 2dj3 s PHE 82 Ca -0.02 0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 56.56 2dj3 s PHE 82 Cb -0.05 -1.85 0.17 0.00 0.51 0.00 0.00 43.02 41.80 2dj3 s PHE 82 CO -0.05 0.50 1.09 -1.25 0.70 0.00 0.00 175.22 176.21 2dj3 s PRO 83 N -2.74 0.69 -0.21 0.24 0.04 -1.26 -4.93 135.00 126.84 2dj3 s PRO 83 Ca 0.38 0.62 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 2dj3 s PRO 83 Cb -0.12 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.75 2dj3 s PRO 83 CO 0.27 -2.58 0.22 0.99 0.04 0.00 0.00 177.00 175.94 2dj3 s THR 84 N -2.95 -0.31 -0.07 1.26 2.01 -0.88 -5.00 115.64 109.70 2dj3 s THR 84 Ca 0.65 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.45 2dj3 s THR 84 Cb -0.18 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2dj3 s THR 84 CO 0.57 -0.24 0.15 -0.63 -0.69 0.00 0.00 174.62 173.78 2dj3 s ILE 85 N 2.31 5.37 -0.07 1.82 1.01 -1.26 0.12 121.20 130.50 2dj3 s ILE 85 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 2dj3 s ILE 85 Cb -0.16 -3.41 0.04 0.00 0.01 0.00 0.00 42.46 38.94 2dj3 s ILE 85 CO -0.14 0.48 0.16 -0.31 0.00 0.00 0.00 174.94 175.13 2dj3 s TYR 86 N -1.15 -0.18 -0.29 3.97 2.02 0.20 -2.71 117.35 119.20 2dj3 s TYR 86 Ca 0.20 0.51 -0.10 0.00 -0.37 0.00 0.00 57.07 57.31 2dj3 s TYR 86 Cb -0.12 -0.05 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 2dj3 s TYR 86 CO 0.11 -0.16 0.15 0.12 -1.57 0.00 0.00 175.55 174.20 2dj3 s PHE 87 N 1.01 3.17 -0.66 2.71 2.19 0.15 -0.62 117.98 125.93 2dj3 s PHE 87 Ca -0.08 -0.32 -0.11 0.00 0.33 0.00 0.00 56.93 56.75 2dj3 s PHE 87 Cb -0.10 -2.35 0.17 0.00 -1.31 0.00 0.00 43.02 39.43 2dj3 s PHE 87 CO -0.05 -0.35 0.57 0.00 1.83 0.00 0.00 175.22 177.22 2dj3 s ALA 88 N 1.66 3.76 -0.41 11.12 0.00 -0.66 -2.88 121.76 134.36 2dj3 s ALA 88 Ca 0.06 -3.00 -0.28 0.00 0.00 0.00 0.00 51.96 48.74 2dj3 s ALA 88 Cb -0.16 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2dj3 s ALA 88 CO 0.07 -2.12 1.73 -1.25 0.00 0.00 0.00 175.76 174.20 2dj3 s PRO 89 N 0.64 3.24 -0.61 0.00 0.04 -1.26 -2.23 135.00 134.81 2dj3 s PRO 89 Ca 0.12 1.15 -0.38 0.00 0.04 0.00 0.00 61.00 61.94 2dj3 s PRO 89 Cb -0.19 -4.20 -0.18 0.00 0.04 0.00 0.00 34.50 29.97 2dj3 s PRO 89 CO -0.04 -1.98 2.32 -1.13 0.04 0.00 0.00 177.00 176.22 2dj3 n SER 90 N 10.48 0.97 0.00 6.66 3.41 -1.26 0.04 113.62 133.92 2dj3 n SER 90 Ca 0.21 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2dj3 n SER 90 Cb 0.48 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 6.95 3.22 1.59 5.00 0.00 -1.26 -4.88 105.19 115.82 2dj3 n GLY 91 Ca 0.55 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 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 4.04 0.05 1.61 8.00 0.11 -4.75 116.55 125.61 2dj3 n ASP 92 Ca 0.00 -3.80 0.03 0.00 0.71 0.00 0.00 54.79 51.73 2dj3 n ASP 92 Cb 0.00 -0.47 0.42 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.73 0.43 -1.77 -1.24 1.57 -1.81 -2.68 116.57 112.80 2dj3 h LYS 93 Ca 0.28 -0.05 0.51 0.00 -1.87 0.00 0.00 60.65 59.53 2dj3 h LYS 93 Cb 1.37 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.52 2dj3 h LYS 93 CO 0.59 0.36 1.27 1.63 -0.57 0.00 0.00 179.45 182.73 2dj3 n LYS 94 N -4.41 -0.00 -3.81 3.15 4.01 -1.26 -2.75 118.16 113.09 2dj3 n LYS 94 Ca 0.01 0.97 -0.35 0.00 -0.51 0.00 0.00 58.31 58.44 2dj3 n LYS 94 Cb 0.13 -2.24 -0.12 0.00 -0.51 0.00 0.00 35.03 32.30 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 -3.88 5.03 0.10 4.39 0.01 -1.01 -4.89 114.94 114.68 2dj3 s ASN 95 Ca -0.04 -2.53 -0.31 0.00 -0.71 0.00 0.00 52.86 49.26 2dj3 s ASN 95 Cb 0.24 -1.78 -0.07 0.00 0.41 0.00 0.00 41.25 40.05 2dj3 s ASN 95 CO 0.80 -0.40 1.37 -2.16 -1.51 0.00 0.00 177.10 175.20 2dj3 s PRO 96 N 0.40 4.33 -0.44 -0.60 0.04 -1.11 -4.85 135.00 132.77 2dj3 s PRO 96 Ca 0.13 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 2dj3 s PRO 96 Cb -0.22 -3.29 0.08 0.00 0.04 0.00 0.00 34.50 31.10 2dj3 s PRO 96 CO -0.04 -0.43 0.32 0.42 0.04 0.00 0.00 177.00 177.31 2dj3 s ILE 97 N 1.23 4.63 0.38 0.56 1.01 -1.14 -4.93 121.20 122.94 2dj3 s ILE 97 Ca 0.64 -1.27 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 2dj3 s ILE 97 Cb -0.35 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 2dj3 s ILE 97 CO 0.30 -0.54 0.76 -0.75 0.00 0.00 0.00 174.94 174.71 2dj3 s LYS 98 N 1.51 3.86 -0.55 2.79 2.20 -1.26 -0.68 119.74 127.61 2dj3 s LYS 98 Ca 0.03 0.54 -0.19 0.00 -0.36 0.00 0.00 55.97 56.00 2dj3 s LYS 98 Cb -0.24 -2.40 0.08 0.00 -1.51 0.00 0.00 37.83 33.77 2dj3 s LYS 98 CO 0.04 0.03 0.66 0.12 -0.36 0.00 0.00 175.35 175.83 2dj3 s PHE 99 N -2.24 3.03 -0.45 4.03 5.36 -1.10 -4.97 117.98 121.63 2dj3 s PHE 99 Ca 0.52 -0.77 -0.10 0.00 -0.96 0.00 0.00 56.93 55.62 2dj3 s PHE 99 Cb -0.10 -3.76 0.10 0.00 -0.34 0.00 0.00 43.02 38.91 2dj3 s PHE 99 CO 0.27 -1.16 0.32 -1.21 -1.46 0.00 0.00 175.22 171.98 2dj3 s GLU 100 N 2.62 2.61 -0.25 10.12 2.02 -1.26 -4.77 118.70 129.78 2dj3 s GLU 100 Ca 0.13 -1.60 -0.12 0.00 0.02 0.00 0.00 54.97 53.40 2dj3 s GLU 100 Cb -0.22 -3.91 0.09 0.00 0.10 0.00 0.00 34.13 30.19 2dj3 s GLU 100 CO 0.09 -1.09 0.60 0.20 0.02 0.00 0.00 175.26 175.08 2dj3 s GLY 101 N 2.50 -0.57 0.04 -1.39 0.00 -1.26 -5.07 107.32 101.57 2dj3 s GLY 101 Ca 0.04 2.13 -0.08 0.00 0.00 0.00 0.00 44.72 46.82 2dj3 s GLY 101 CO 0.01 2.40 1.13 0.61 0.00 0.00 0.00 173.10 177.26 2dj3 n GLY 102 N 4.66 -3.00 3.60 0.20 0.00 -1.26 -3.93 105.19 105.45 2dj3 n GLY 102 Ca -0.18 0.74 -0.43 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.62 6.46 -0.96 1.61 -0.87 -1.26 -4.96 114.94 111.34 2dj3 s ASN 103 Ca -0.03 0.67 -0.09 0.00 -1.57 0.00 0.00 52.86 51.84 2dj3 s ASN 103 Cb 0.03 -2.54 0.24 0.00 -0.02 0.00 0.00 41.25 38.96 2dj3 s ASN 103 CO 0.15 -1.36 0.91 -0.60 -2.57 0.00 0.00 177.10 173.63 2dj3 s ARG 104 N 4.74 3.77 0.21 -0.60 3.52 -1.25 -4.74 118.95 124.60 2dj3 s ARG 104 Ca 0.56 -2.95 0.01 0.00 -0.13 0.00 0.00 55.73 53.22 2dj3 s ARG 104 Cb -0.11 -4.37 -0.01 0.00 -1.56 0.00 0.00 34.95 28.90 2dj3 s ARG 104 CO 0.32 -1.25 0.05 -3.47 -0.81 0.00 0.00 175.30 170.14 2dj3 n ASP 105 N 3.09 1.50 0.18 -2.12 2.03 -1.26 -4.96 116.55 115.00 2dj3 n ASP 105 Ca 0.19 -2.06 0.06 0.00 0.52 0.00 0.00 54.79 53.50 2dj3 n ASP 105 Cb 0.41 0.42 0.27 0.00 -0.72 0.00 0.00 41.12 41.50 2dj3 n ASP 105 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2dj3 h LEU 106 N 0.00 0.00 -0.15 -2.67 6.46 -1.95 0.20 115.31 117.20 2dj3 h LEU 106 Ca -0.17 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.36 2dj3 h LEU 106 Cb 0.60 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2dj3 h LEU 106 CO 0.27 0.38 -0.97 -0.33 -0.62 0.00 0.00 178.44 177.17 2dj3 h GLU 107 N 0.00 0.36 0.00 1.25 4.39 -1.96 -2.50 114.58 116.12 2dj3 h GLU 107 Ca -0.00 -0.41 -0.19 0.00 0.34 0.00 0.00 59.36 59.09 2dj3 h GLU 107 Cb 1.01 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 2dj3 h GLU 107 CO 0.05 1.10 -1.49 0.72 -1.16 0.00 0.00 179.01 178.23 2dj3 n HIS 108 N -3.70 0.96 0.02 4.33 8.25 -1.19 -3.82 115.22 120.08 2dj3 n HIS 108 Ca -0.06 0.33 -0.12 0.00 -0.26 0.00 0.00 57.72 57.60 2dj3 n HIS 108 Cb 0.86 -1.10 -0.09 0.00 1.12 0.00 0.00 29.99 30.77 2dj3 n HIS 108 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2dj3 h LEU 109 N 0.00 -0.10 -2.60 2.41 3.38 -0.66 -3.10 115.31 114.64 2dj3 h LEU 109 Ca -0.19 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.32 2dj3 h LEU 109 Cb 1.67 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 2dj3 h LEU 109 CO 0.05 0.46 0.06 0.28 0.09 0.00 0.00 178.44 179.38 2dj3 h SER 110 N -0.70 0.00 1.20 -0.43 0.02 -1.63 0.27 113.55 112.28 2dj3 h SER 110 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2dj3 h SER 110 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2dj3 h SER 110 CO 0.02 0.00 -0.01 0.29 -1.14 0.00 0.00 176.83 175.99 2dj3 n LYS 111 N -3.46 0.11 -0.05 3.45 5.02 -1.18 -2.91 118.16 119.14 2dj3 n LYS 111 Ca -0.02 0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.28 2dj3 n LYS 111 Cb 0.14 -1.63 -0.15 0.00 -0.02 0.00 0.00 35.03 33.38 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 -1.83 0.46 0.08 2.13 -0.00 0.92 -4.29 117.46 114.93 2dj3 n PHE 112 Ca 0.06 0.17 -0.06 0.00 -0.00 0.00 0.00 57.45 57.62 2dj3 n PHE 112 Cb 0.38 -1.06 -0.03 0.00 -0.00 0.00 0.00 39.48 38.77 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 0.16 -0.93 -2.13 2.04 -1.49 -3.25 117.51 111.92 2dj3 h ILE 113 Ca -0.39 -0.86 0.38 0.00 1.00 0.00 0.00 64.86 65.00 2dj3 h ILE 113 Cb 2.05 0.29 -0.17 0.00 -0.74 0.00 0.00 36.82 38.25 2dj3 h ILE 113 CO 0.05 0.05 0.47 0.47 0.00 0.00 0.00 178.15 179.19 2dj3 n ASP 114 N -4.98 0.30 -0.06 1.72 8.00 -1.14 0.15 116.55 120.54 2dj3 n ASP 114 Ca -0.05 1.55 -0.10 0.00 0.71 0.00 0.00 54.79 56.90 2dj3 n ASP 114 Cb 0.16 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 2dj3 n ASP 114 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2dj3 h GLU 115 N 0.00 0.32 -0.42 -1.24 4.39 -1.75 -2.39 114.58 113.49 2dj3 h GLU 115 Ca 0.78 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.45 2dj3 h GLU 115 Cb 2.04 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 2dj3 h GLU 115 CO -0.73 0.26 0.00 0.72 -1.16 0.00 0.00 179.01 178.11 2dj3 n HIS 116 N -4.89 0.56 -3.02 4.33 8.25 0.36 -4.93 115.22 115.89 2dj3 n HIS 116 Ca -0.03 -0.28 -0.25 0.00 -0.26 0.00 0.00 57.72 56.91 2dj3 n HIS 116 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 2dj3 n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dj3 s ALA 117 N -1.44 3.62 -0.28 -1.41 0.00 0.39 -4.95 121.76 117.70 2dj3 s ALA 117 Ca 0.35 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.54 2dj3 s ALA 117 Cb 0.19 -2.26 0.46 0.00 0.00 0.00 0.00 23.12 21.51 2dj3 s ALA 117 CO 0.26 -0.26 1.19 2.41 0.00 0.00 0.00 175.76 179.36 2dj3 n THR 118 N -2.04 2.45 -0.05 0.00 -1.04 -1.26 -4.72 114.28 107.62 2dj3 n THR 118 Ca -0.01 -4.07 0.06 0.00 -2.04 0.00 0.00 64.05 57.99 2dj3 n THR 118 Cb 0.56 -0.97 0.26 0.00 -1.82 0.00 0.00 70.33 68.37 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 -0.75 3.14 -4.40 -2.82 3.00 -1.26 -4.84 118.16 110.23 2dj3 n LYS 119 Ca 0.40 -2.04 -0.20 0.00 -0.00 0.00 0.00 58.31 56.47 2dj3 n LYS 119 Cb 0.93 -1.80 -0.10 0.00 0.00 0.00 0.00 35.03 34.06 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 -1.89 1.49 0.38 1.64 3.03 -1.26 -5.01 118.95 117.33 2dj3 s ARG 120 Ca 0.36 -1.77 -0.06 0.00 2.03 0.00 0.00 55.73 56.29 2dj3 s ARG 120 Cb 0.25 -0.93 0.03 0.00 -1.03 0.00 0.00 34.95 33.26 2dj3 s ARG 120 CO 0.15 -0.04 0.61 0.45 -1.13 0.00 0.00 175.30 175.34 2dj3 n SER 121 N -0.54 -1.73 -4.69 -2.89 2.88 -1.26 -5.13 113.62 100.25 2dj3 n SER 121 Ca -0.05 -2.83 -0.42 0.00 -1.33 0.00 0.00 58.87 54.23 2dj3 n SER 121 Cb 0.64 3.07 -0.03 0.00 -0.75 0.00 0.00 64.21 67.14 2dj3 n SER 121 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dj3 s ARG 122 N -2.57 4.30 0.38 -1.46 1.81 -1.26 -5.01 118.95 115.15 2dj3 s ARG 122 Ca 0.25 1.88 0.03 0.00 -1.72 0.00 0.00 55.73 56.16 2dj3 s ARG 122 Cb -0.02 -3.56 -0.01 0.00 -0.45 0.00 0.00 34.95 30.91 2dj3 s ARG 122 CO 0.18 -0.53 0.09 0.25 -0.68 0.00 0.00 175.30 174.61 2dj3 n THR 123 N 4.63 0.00 -1.53 0.02 -2.24 -1.26 -5.05 114.28 108.85 2dj3 n THR 123 Ca 0.12 -2.07 -0.36 0.00 -2.27 0.00 0.00 64.05 59.47 2dj3 n THR 123 Cb 0.44 0.65 0.06 0.00 -2.10 0.00 0.00 70.33 69.39 2dj3 n THR 123 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2dj3 n LYS 124 N -0.88 2.67 -3.79 -0.78 3.00 -1.26 -4.92 118.16 112.20 2dj3 n LYS 124 Ca -0.09 -3.28 -0.13 0.00 -0.00 0.00 0.00 58.31 54.82 2dj3 n LYS 124 Cb 0.54 -2.25 -0.10 0.00 0.00 0.00 0.00 35.03 33.22 2dj3 n LYS 124 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2dj3 s GLU 125 N -3.78 0.48 -0.01 1.64 0.41 -1.26 -5.17 118.70 111.02 2dj3 s GLU 125 Ca 0.59 0.02 0.01 0.00 -0.41 0.00 0.00 54.97 55.18 2dj3 s GLU 125 Cb 0.47 0.22 -0.00 0.00 -1.78 0.00 0.00 34.13 33.04 2dj3 s GLU 125 CO -0.16 -0.11 -0.04 -1.83 -0.49 0.00 0.00 175.26 172.62 2dj3 s GLU 126 N -0.69 0.39 -0.83 1.61 4.04 -1.26 -5.10 118.70 116.86 2dj3 s GLU 126 Ca -0.08 -0.15 -0.01 0.00 0.04 0.00 0.00 54.97 54.77 2dj3 s GLU 126 Cb -0.04 -0.39 0.21 0.00 0.02 0.00 0.00 34.13 33.93 2dj3 s GLU 126 CO 0.02 0.08 0.70 -0.51 -1.84 0.00 0.00 175.26 173.71 2dj3 s LEU 127 N -0.03 5.43 0.00 1.83 1.02 -1.26 -5.02 118.68 120.66 2dj3 s LEU 127 Ca 0.01 -3.60 -0.29 0.00 0.02 0.00 0.00 54.13 50.27 2dj3 s LEU 127 Cb -0.03 -1.87 0.10 0.00 0.02 0.00 0.00 46.19 44.41 2dj3 s LEU 127 CO -0.00 -0.20 0.91 -0.55 0.02 0.00 0.00 176.35 176.53 2dj3 s SER 128 N -0.14 -0.33 -0.48 2.29 0.15 -1.26 -5.12 113.70 108.80 2dj3 s SER 128 Ca 0.25 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.89 2dj3 s SER 128 Cb -0.09 0.38 0.14 0.00 -1.71 0.00 0.00 66.02 64.74 2dj3 s SER 128 CO -0.11 -0.63 0.26 -0.83 1.20 0.00 0.00 173.24 173.12 2dj3 s GLY 129 N -2.52 2.04 0.00 9.45 0.00 -1.26 -4.93 107.32 110.09 2dj3 s GLY 129 Ca 0.06 -2.93 0.15 0.00 0.00 0.00 0.00 44.72 42.00 2dj3 s GLY 129 CO -0.08 1.31 1.41 -1.55 0.00 0.00 0.00 173.10 174.19 2dj3 n PRO 130 N 3.28 0.20 -1.23 2.90 -0.04 -1.26 -4.82 135.00 134.04 2dj3 n PRO 130 Ca 0.08 0.15 -0.35 0.00 -0.04 0.00 0.00 63.50 63.34 2dj3 n PRO 130 Cb 0.34 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.29 0.27 -4.91 3.54 2.88 -1.26 -4.86 113.62 107.99 2dj3 n SER 131 Ca 0.07 0.19 -0.28 0.00 -1.33 0.00 0.00 58.87 57.52 2dj3 n SER 131 Cb 0.12 -0.76 0.08 0.00 -0.75 0.00 0.00 64.21 62.90 2dj3 n SER 131 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dj3 s SER 132 N 7.26 4.61 0.00 -3.46 0.01 -1.26 -5.31 113.70 115.55 2dj3 s SER 132 Ca 1.12 0.66 0.00 0.00 1.31 0.00 0.00 55.95 59.04 2dj3 s SER 132 Cb -1.06 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2dj3 s SER 132 CO 0.42 -1.80 0.00 0.61 0.41 0.00 0.00 173.24 172.88