#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdl s ASP 4 N 0.00 5.21 0.50 1.61 3.68 -1.26 -4.90 116.67 121.51 1jdl s ASP 4 Ca 0.00 -1.11 0.18 0.00 2.13 0.00 0.00 52.55 53.75 1jdl s ASP 4 Cb 0.00 -1.84 1.25 0.00 -1.45 0.00 0.00 42.92 40.88 1jdl s ASP 4 CO 0.00 -0.30 2.09 1.55 0.13 0.00 0.00 175.17 178.65 1jdl h PRO 5 N 8.19 0.00 -0.35 4.34 0.13 -1.82 0.20 132.00 142.68 1jdl h PRO 5 Ca -0.24 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 1jdl h PRO 5 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1jdl h PRO 5 CO 0.59 0.08 0.08 0.00 -0.23 0.00 0.00 178.00 178.52 1jdl h ALA 6 N 1.92 0.47 -0.02 -0.56 0.00 -1.94 -1.16 119.26 117.97 1jdl h ALA 6 Ca -0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1jdl h ALA 6 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jdl h ALA 6 CO 0.01 0.15 -0.77 -0.22 0.00 0.00 0.00 179.25 178.42 1jdl h LYS 7 N 0.42 0.20 -0.59 0.00 1.63 -1.80 -3.14 116.57 113.29 1jdl h LYS 7 Ca 0.11 -0.18 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1jdl h LYS 7 Cb 0.32 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 1jdl h LYS 7 CO 0.00 0.87 0.39 0.78 -3.45 0.00 0.00 179.45 178.05 1jdl h GLY 8 N 1.73 0.76 1.73 5.01 0.00 -0.17 -0.89 103.07 111.25 1jdl h GLY 8 Ca -0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1jdl h GLY 8 CO 0.12 0.22 -0.06 -2.09 0.00 0.00 0.00 176.54 174.72 1jdl h GLU 9 N 0.65 0.34 -0.13 4.80 4.81 -1.17 0.07 114.58 123.95 1jdl h GLU 9 Ca 0.24 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 59.18 1jdl h GLU 9 Cb 0.15 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1jdl h GLU 9 CO -0.07 0.42 -0.81 0.00 -0.73 0.00 0.00 179.01 177.83 1jdl h ALA 10 N 1.61 0.27 -0.33 2.92 0.00 -1.29 -3.08 119.26 119.36 1jdl h ALA 10 Ca 0.07 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1jdl h ALA 10 Cb 0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1jdl h ALA 10 CO 0.01 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 180.16 1jdl h VAL 11 N 0.50 1.21 0.00 0.00 2.07 -0.81 -2.18 116.25 117.04 1jdl h VAL 11 Ca -0.06 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1jdl h VAL 11 Cb 1.44 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1jdl h VAL 11 CO 0.17 0.30 0.00 0.15 0.02 0.00 0.00 177.57 178.21 1jdl h PHE 12 N 0.51 0.00 0.00 1.57 3.57 -0.90 -0.28 116.94 121.41 1jdl h PHE 12 Ca 0.10 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1jdl h PHE 12 Cb 0.41 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1jdl h PHE 12 CO 0.01 0.00 -0.01 0.87 -2.23 0.00 0.00 178.31 176.96 1jdl h LYS 13 N 0.00 0.00 0.00 1.11 1.57 -1.46 0.20 116.57 118.00 1jdl h LYS 13 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jdl h LYS 13 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1jdl h LYS 13 CO 0.00 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 1jdl n LYS 14 N -4.27 0.12 -0.03 3.15 5.02 -0.12 -3.17 118.16 118.86 1jdl n LYS 14 Ca -0.03 0.08 0.02 0.00 -2.02 0.00 0.00 58.31 56.36 1jdl n LYS 14 Cb 0.10 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 1jdl n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jdl h MET 16 N 0.00 0.00 0.00 0.00 2.86 -1.20 -0.45 114.93 116.14 1jdl h MET 16 Ca -0.12 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1jdl h MET 16 Cb 1.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1jdl h MET 16 CO 0.01 0.00 -0.16 0.00 1.06 0.00 0.00 176.91 177.82 1jdl h ALA 17 N 1.66 1.35 0.00 6.32 0.00 -1.83 -3.32 119.26 123.45 1jdl h ALA 17 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jdl h ALA 17 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jdl h ALA 17 CO -0.00 0.20 -0.27 0.00 0.00 0.00 0.00 179.25 179.17 1jdl s HIS 19 N -0.97 1.56 0.06 0.00 3.76 -0.27 -0.93 115.29 118.50 1jdl s HIS 19 Ca 0.00 -0.51 0.05 0.00 -0.15 0.00 0.00 55.06 54.45 1jdl s HIS 19 Cb 0.00 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.85 1jdl s HIS 19 CO 0.00 0.20 -0.13 1.03 -0.85 0.00 0.00 174.74 174.99 1jdl s ARG 20 N -2.56 0.77 0.11 1.40 1.81 -1.26 -4.20 118.95 115.02 1jdl s ARG 20 Ca 0.10 -0.91 0.01 0.00 -1.72 0.00 0.00 55.73 53.21 1jdl s ARG 20 Cb -0.06 -0.74 -0.04 0.00 -0.45 0.00 0.00 34.95 33.66 1jdl s ARG 20 CO 0.04 0.16 -0.03 0.14 -0.68 0.00 0.00 175.30 174.93 1jdl s VAL 21 N -1.27 0.54 0.00 3.52 -7.23 -1.26 -1.15 120.40 113.55 1jdl s VAL 21 Ca -0.03 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1jdl s VAL 21 Cb -0.10 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1jdl s VAL 21 CO 0.02 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 174.64 1jdl n GLY 22 N -0.06 -1.53 3.75 2.32 0.00 -1.26 -4.79 105.19 103.61 1jdl n GLY 22 Ca -0.11 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 1jdl n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jdl s PRO 23 N -0.79 4.18 -1.56 1.61 0.04 -1.26 -2.68 135.00 134.54 1jdl s PRO 23 Ca 0.00 2.46 -0.15 0.00 0.04 0.00 0.00 61.00 63.35 1jdl s PRO 23 Cb 0.00 -3.06 0.11 0.00 0.04 0.00 0.00 34.50 31.58 1jdl s PRO 23 CO 0.00 -0.55 0.86 -0.25 0.04 0.00 0.00 177.00 177.11 1jdl n ASP 24 N 2.31 -4.30 -4.74 6.66 8.00 -1.26 -4.90 116.55 118.32 1jdl n ASP 24 Ca 0.08 -0.79 -0.41 0.00 0.71 0.00 0.00 54.79 54.38 1jdl n ASP 24 Cb 0.39 -3.46 -0.03 0.00 -0.02 0.00 0.00 41.12 37.99 1jdl n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jdl s ALA 25 N -3.24 3.50 0.27 2.24 0.00 -1.09 -5.01 121.76 118.42 1jdl s ALA 25 Ca 0.66 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.77 1jdl s ALA 25 Cb -0.34 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1jdl s ALA 25 CO 0.81 -0.50 0.15 0.15 0.00 0.00 0.00 175.76 176.37 1jdl s LYS 26 N -0.32 2.68 0.43 0.00 1.02 -1.26 -4.85 119.74 117.44 1jdl s LYS 26 Ca 0.55 -1.23 -0.23 0.00 0.02 0.00 0.00 55.97 55.08 1jdl s LYS 26 Cb -0.36 -2.41 -0.08 0.00 -0.52 0.00 0.00 37.83 34.46 1jdl s LYS 26 CO 0.39 0.33 1.12 -0.80 -0.92 0.00 0.00 175.35 175.47 1jdl s ASN 27 N -3.81 6.41 0.00 2.83 0.01 -1.26 -4.38 114.94 114.74 1jdl s ASN 27 Ca 0.34 2.20 0.00 0.00 -0.71 0.00 0.00 52.86 54.69 1jdl s ASN 27 Cb -0.07 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1jdl s ASN 27 CO 0.24 -0.74 0.00 0.18 -1.51 0.00 0.00 177.10 175.26 1jdl n LEU 28 N -0.30 0.00 0.09 0.60 4.77 -1.26 -4.95 117.00 115.95 1jdl n LEU 28 Ca 0.06 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1jdl n LEU 28 Cb 0.49 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.92 1jdl n LEU 28 CO 0.47 0.00 0.86 0.58 -1.33 0.00 0.00 177.39 177.97 1jdl h VAL 29 N 0.00 1.20 -2.01 4.08 2.07 -1.86 -3.43 116.25 116.30 1jdl h VAL 29 Ca 0.00 -0.88 -0.59 0.00 0.82 0.00 0.00 66.70 66.05 1jdl h VAL 29 Cb 0.00 1.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 1jdl h VAL 29 CO 0.00 0.28 -0.65 -0.83 0.02 0.00 0.00 177.57 176.39 1jdl s GLY 30 N -4.04 1.99 0.61 2.17 0.00 -0.11 -5.06 107.32 102.89 1jdl s GLY 30 Ca -0.06 -1.92 -0.16 0.00 0.00 0.00 0.00 44.72 42.58 1jdl s GLY 30 CO 0.74 -1.90 1.10 2.56 0.00 0.00 0.00 173.10 175.60 1jdl s PRO 31 N -3.66 3.07 0.49 2.90 0.04 -1.26 -4.64 135.00 131.94 1jdl s PRO 31 Ca 0.33 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.52 1jdl s PRO 31 Cb -0.02 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1jdl s PRO 31 CO 0.18 -1.03 1.41 0.00 0.04 0.00 0.00 177.00 177.60 1jdl s ALA 32 N -2.24 3.06 -1.38 8.56 0.00 -1.26 -4.52 121.76 123.98 1jdl s ALA 32 Ca 0.67 1.43 0.15 0.00 0.00 0.00 0.00 51.96 54.21 1jdl s ALA 32 Cb -0.20 -3.59 0.40 0.00 0.00 0.00 0.00 23.12 19.73 1jdl s ALA 32 CO 0.37 -1.30 1.32 1.28 0.00 0.00 0.00 175.76 177.43 1jdl n LEU 33 N -0.57 3.20 -4.71 0.00 4.77 -0.30 -4.88 117.00 114.52 1jdl n LEU 33 Ca 0.07 -1.89 -0.42 0.00 -0.03 0.00 0.00 56.01 53.74 1jdl n LEU 33 Cb 0.43 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1jdl n LEU 33 CO 0.57 0.78 1.08 -0.89 -1.33 0.00 0.00 177.39 177.60 1jdl s THR 34 N -1.03 3.43 -0.84 -5.08 2.01 -1.26 -2.44 115.64 110.43 1jdl s THR 34 Ca 0.31 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.29 1jdl s THR 34 Cb 0.17 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1jdl s THR 34 CO 0.22 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 1jdl n GLY 35 N 3.54 0.86 0.19 4.40 0.00 -0.50 -4.92 105.19 108.76 1jdl n GLY 35 Ca 0.12 -0.66 0.06 0.00 0.00 0.00 0.00 46.02 45.54 1jdl n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1jdl h VAL 36 N 0.00 0.80 -2.52 1.61 3.04 -1.75 -3.40 116.25 114.02 1jdl h VAL 36 Ca -0.17 -1.55 -0.53 0.00 -1.01 0.00 0.00 66.70 63.44 1jdl h VAL 36 Cb 0.62 1.98 0.03 0.00 -2.01 0.00 0.00 31.29 31.91 1jdl h VAL 36 CO 0.24 0.35 1.13 -0.63 -1.01 0.00 0.00 177.57 177.65 1jdl s ILE 37 N -3.50 2.79 0.00 3.17 -1.09 -1.26 -1.24 121.20 120.07 1jdl s ILE 37 Ca 0.01 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 1jdl s ILE 37 Cb 0.10 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1jdl s ILE 37 CO 0.68 -0.00 0.00 -0.67 -1.23 0.00 0.00 174.94 173.72 1jdl n ASP 38 N 6.23 -3.30 -4.76 3.58 2.03 0.18 -4.89 116.55 115.62 1jdl n ASP 38 Ca 0.18 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.09 1jdl n ASP 38 Cb 0.39 -1.68 -0.06 0.00 -0.72 0.00 0.00 41.12 39.06 1jdl n ASP 38 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1jdl s ARG 39 N -0.79 4.76 0.28 -0.67 3.52 -0.37 -4.55 118.95 121.13 1jdl s ARG 39 Ca 0.00 1.40 -0.30 0.00 -0.13 0.00 0.00 55.73 56.70 1jdl s ARG 39 Cb 0.00 -3.21 -0.10 0.00 -1.56 0.00 0.00 34.95 30.07 1jdl s ARG 39 CO 0.00 0.50 1.46 -1.14 -0.81 0.00 0.00 175.30 175.31 1jdl s GLN 40 N -1.29 4.23 0.42 5.12 0.74 -1.26 -0.91 119.66 126.71 1jdl s GLN 40 Ca 0.41 2.38 -0.26 0.00 0.05 0.00 0.00 55.36 57.94 1jdl s GLN 40 Cb -0.24 -3.07 -0.09 0.00 1.10 0.00 0.00 33.01 30.71 1jdl s GLN 40 CO 0.30 -0.45 1.41 0.00 -0.55 0.00 0.00 175.29 176.00 1jdl s ALA 41 N -0.28 3.32 -0.75 1.58 0.00 0.19 -3.40 121.76 122.41 1jdl s ALA 41 Ca 0.58 1.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.95 1jdl s ALA 41 Cb -0.43 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1jdl s ALA 41 CO 0.48 -1.07 0.21 0.41 0.00 0.00 0.00 175.76 175.79 1jdl n GLY 42 N 0.58 0.08 0.00 0.00 0.00 -1.26 -3.90 105.19 100.69 1jdl n GLY 42 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1jdl n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jdl n THR 43 N -3.88 0.45 -1.80 2.61 -2.24 -1.22 -4.85 114.28 103.35 1jdl n THR 43 Ca -0.07 -0.55 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1jdl n THR 43 Cb 0.56 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 1jdl n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jdl s ALA 44 N -0.45 3.86 0.24 6.98 0.00 -1.26 -4.88 121.76 126.24 1jdl s ALA 44 Ca 0.00 1.48 -0.31 0.00 0.00 0.00 0.00 51.96 53.14 1jdl s ALA 44 Cb 0.00 -3.68 -0.14 0.00 0.00 0.00 0.00 23.12 19.30 1jdl s ALA 44 CO 0.00 -0.93 1.25 -2.30 0.00 0.00 0.00 175.76 173.78 1jdl n PRO 45 N 4.29 1.67 -0.66 0.00 -0.02 -1.26 -2.77 135.00 136.25 1jdl n PRO 45 Ca 0.16 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1jdl n PRO 45 Cb 0.37 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1jdl n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jdl n GLY 46 N 1.82 0.43 3.84 -1.23 0.00 -1.26 -4.96 105.19 103.84 1jdl n GLY 46 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1jdl n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jdl s PHE 47 N -2.15 3.70 -0.56 1.61 5.36 -1.12 -5.04 117.98 119.79 1jdl s PHE 47 Ca 0.00 0.96 -0.16 0.00 -0.96 0.00 0.00 56.93 56.76 1jdl s PHE 47 Cb 0.00 -2.26 0.13 0.00 -0.34 0.00 0.00 43.02 40.55 1jdl s PHE 47 CO 0.00 0.62 0.55 -0.80 -1.46 0.00 0.00 175.22 174.13 1jdl s ASN 48 N -1.20 6.21 0.67 6.13 0.01 -1.26 -4.92 114.94 120.57 1jdl s ASN 48 Ca 0.25 -1.76 -0.11 0.00 -0.71 0.00 0.00 52.86 50.53 1jdl s ASN 48 Cb -0.16 -2.23 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 1jdl s ASN 48 CO 0.14 -0.89 1.06 -0.31 -1.51 0.00 0.00 177.10 175.58 1jdl s TYR 49 N 1.74 3.43 0.75 2.20 2.02 -1.26 -5.07 117.35 121.16 1jdl s TYR 49 Ca 0.05 1.22 -0.11 0.00 -0.37 0.00 0.00 57.07 57.86 1jdl s TYR 49 Cb -0.28 -2.87 0.04 0.00 -0.40 0.00 0.00 41.96 38.45 1jdl s TYR 49 CO 0.03 -0.96 1.08 -1.54 -1.57 0.00 0.00 175.55 172.58 1jdl s SER 50 N -4.18 4.93 0.24 2.29 1.04 -1.26 -4.87 113.70 111.89 1jdl s SER 50 Ca 0.57 1.51 -0.06 0.00 0.48 0.00 0.00 55.95 58.45 1jdl s SER 50 Cb -0.12 -2.32 0.24 0.00 0.10 0.00 0.00 66.02 63.93 1jdl s SER 50 CO 0.53 -1.72 1.87 0.00 0.98 0.00 0.00 173.24 174.91 1jdl h ALA 51 N -0.91 1.19 -0.52 5.32 0.00 -1.98 -2.07 119.26 120.30 1jdl h ALA 51 Ca -0.45 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 1jdl h ALA 51 Cb 1.24 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1jdl h ALA 51 CO 0.57 0.65 -0.11 0.97 0.00 0.00 0.00 179.25 181.33 1jdl h ILE 52 N 1.24 1.27 -0.44 0.00 -0.00 -1.85 0.11 117.51 117.84 1jdl h ILE 52 Ca 0.31 -1.26 -0.13 0.00 -0.00 0.00 0.00 64.86 63.79 1jdl h ILE 52 Cb 0.01 0.99 -0.01 0.00 -0.00 0.00 0.00 36.82 37.81 1jdl h ILE 52 CO -0.05 0.44 -0.23 -1.13 -0.00 0.00 0.00 178.15 177.18 1jdl h ASN 53 N 0.87 0.97 -0.29 2.19 -0.73 -1.87 -1.56 115.58 115.15 1jdl h ASN 53 Ca 0.14 -0.41 -0.03 0.00 1.87 0.00 0.00 56.30 57.87 1jdl h ASN 53 Cb 0.66 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 1jdl h ASN 53 CO 0.05 1.16 0.07 -0.74 -0.37 0.00 0.00 177.43 177.60 1jdl h HIS 54 N 0.78 0.49 -0.84 0.67 2.76 -1.23 -2.97 115.15 114.80 1jdl h HIS 54 Ca 0.10 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1jdl h HIS 54 Cb 0.80 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.58 1jdl h HIS 54 CO 0.06 0.53 0.48 0.00 -1.30 0.00 0.00 177.93 177.70 1jdl h ALA 55 N 0.90 1.26 -0.78 5.26 0.00 -0.68 -2.40 119.26 122.82 1jdl h ALA 55 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jdl h ALA 55 Cb 0.29 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1jdl h ALA 55 CO 0.00 0.61 0.46 0.00 0.00 0.00 0.00 179.25 180.33 1jdl h ALA 56 N 1.36 1.00 -0.39 0.00 0.00 -1.18 -0.78 119.26 119.26 1jdl h ALA 56 Ca 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1jdl h ALA 56 Cb -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1jdl h ALA 56 CO -0.05 0.47 0.07 0.78 0.00 0.00 0.00 179.25 180.52 1jdl h GLY 57 N 1.07 0.68 2.00 0.00 0.00 -1.32 -0.64 103.07 104.86 1jdl h GLY 57 Ca 0.28 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1jdl h GLY 57 CO -0.05 0.41 -0.12 0.83 0.00 0.00 0.00 176.54 177.61 1jdl h GLU 58 N 0.48 0.00 -0.02 4.80 4.39 -1.12 -0.37 114.58 122.74 1jdl h GLU 58 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1jdl h GLU 58 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1jdl h GLU 58 CO 0.01 0.12 0.00 0.00 -1.16 0.00 0.00 179.01 177.98 1jdl n ALA 59 N -2.46 2.63 0.00 3.43 0.00 -0.33 -4.88 120.51 118.90 1jdl n ALA 59 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1jdl n ALA 59 Cb 0.20 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1jdl n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdl n GLY 60 N 0.97 0.84 3.67 0.00 0.00 -0.15 -5.00 105.19 105.52 1jdl n GLY 60 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1jdl n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jdl s LEU 61 N 0.00 4.24 0.04 0.99 2.96 -0.29 -4.98 118.68 121.63 1jdl s LEU 61 Ca 0.00 1.87 0.08 0.00 -0.22 0.00 0.00 54.13 55.86 1jdl s LEU 61 Cb 0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 1jdl s LEU 61 CO 0.00 -0.76 -0.24 -1.00 -1.32 0.00 0.00 176.35 173.03 1jdl s HIS 62 N 3.25 2.12 -1.43 5.38 3.76 -1.26 -0.64 115.29 126.47 1jdl s HIS 62 Ca 0.59 -0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 54.97 1jdl s HIS 62 Cb -0.26 -1.28 0.06 0.00 1.11 0.00 0.00 32.58 32.21 1jdl s HIS 62 CO 0.20 0.09 2.16 0.91 -0.85 0.00 0.00 174.74 177.25 1jdl n TRP 63 N 1.90 3.44 -1.43 1.40 7.02 -0.09 -4.85 117.44 124.83 1jdl n TRP 63 Ca -0.17 -2.94 -0.31 0.00 -1.02 0.00 0.00 57.50 53.05 1jdl n TRP 63 Cb 0.52 -2.45 0.07 0.00 -2.42 0.00 0.00 31.31 27.04 1jdl n TRP 63 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1jdl s THR 64 N 2.70 3.44 0.30 -0.99 -4.23 -1.26 -0.65 115.64 114.95 1jdl s THR 64 Ca 0.46 0.51 0.03 0.00 -1.18 0.00 0.00 61.69 61.51 1jdl s THR 64 Cb 0.13 -3.04 0.29 0.00 1.34 0.00 0.00 72.50 71.22 1jdl s THR 64 CO -0.07 -0.57 1.85 1.55 -0.54 0.00 0.00 174.62 176.84 1jdl h PRO 65 N -0.78 0.89 -0.63 3.99 0.13 -1.98 -1.72 132.00 131.90 1jdl h PRO 65 Ca -0.44 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1jdl h PRO 65 Cb 1.23 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1jdl h PRO 65 CO 0.53 0.59 0.31 0.93 -0.23 0.00 0.00 178.00 180.13 1jdl h GLU 66 N 0.92 0.91 -0.52 0.86 3.07 -1.98 -1.84 114.58 116.01 1jdl h GLU 66 Ca 0.48 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 59.12 1jdl h GLU 66 Cb 0.54 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 1jdl h GLU 66 CO -0.25 0.73 -0.03 -0.91 -1.40 0.00 0.00 179.01 177.15 1jdl h ASN 67 N 0.87 0.88 -0.50 1.42 2.35 -1.67 -1.86 115.58 117.06 1jdl h ASN 67 Ca 0.22 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1jdl h ASN 67 Cb 0.11 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1jdl h ASN 67 CO -0.03 0.96 0.00 0.40 -1.65 0.00 0.00 177.43 177.11 1jdl h ILE 68 N 0.82 1.26 -0.82 2.81 2.04 -1.11 -0.57 117.51 121.95 1jdl h ILE 68 Ca 0.15 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.94 1jdl h ILE 68 Cb 0.54 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1jdl h ILE 68 CO 0.03 0.38 0.54 0.40 0.00 0.00 0.00 178.15 179.50 1jdl h ILE 69 N 0.75 1.21 0.00 -0.67 1.08 -1.14 -1.52 117.51 117.21 1jdl h ILE 69 Ca 0.14 -0.39 -0.06 0.00 -0.39 0.00 0.00 64.86 64.16 1jdl h ILE 69 Cb 0.52 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 1jdl h ILE 69 CO 0.03 0.21 -0.28 0.00 -0.69 0.00 0.00 178.15 177.42 1jdl h ALA 70 N 1.30 0.90 0.08 1.87 0.00 -1.12 -3.33 119.26 118.95 1jdl h ALA 70 Ca 0.30 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1jdl h ALA 70 Cb -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jdl h ALA 70 CO -0.06 0.35 -0.58 -0.92 0.00 0.00 0.00 179.25 178.03 1jdl h TYR 71 N 0.00 0.44 -0.91 0.00 3.20 -0.58 -3.39 116.97 115.73 1jdl h TYR 71 Ca -0.00 -0.29 0.22 0.00 3.14 0.00 0.00 58.73 61.79 1jdl h TYR 71 Cb 1.00 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 1jdl h TYR 71 CO 0.00 1.19 0.61 -0.07 -1.64 0.00 0.00 178.16 178.25 1jdl h LEU 72 N -0.44 0.32 -1.41 2.82 3.38 -1.40 -2.25 115.31 116.34 1jdl h LEU 72 Ca -0.09 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1jdl h LEU 72 Cb 1.41 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1jdl h LEU 72 CO 0.11 0.12 -0.09 1.55 0.09 0.00 0.00 178.44 180.22 1jdl h PRO 73 N 0.32 0.00 -0.67 1.13 0.13 -1.75 -0.70 132.00 130.46 1jdl h PRO 73 Ca 0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.59 1jdl h PRO 73 Cb 1.30 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.26 1jdl h PRO 73 CO -0.15 0.09 -0.32 0.34 -0.23 0.00 0.00 178.00 177.74 1jdl s ASP 74 N -5.90 -1.01 0.18 1.44 -1.08 -0.89 -4.50 116.67 104.91 1jdl s ASP 74 Ca 0.00 -0.70 -0.17 0.00 -0.52 0.00 0.00 52.55 51.16 1jdl s ASP 74 Cb 0.10 1.30 0.14 0.00 -1.46 0.00 0.00 42.92 43.00 1jdl s ASP 74 CO 0.58 -0.09 1.63 -0.65 0.52 0.00 0.00 175.17 177.16 1jdl h PRO 75 N 5.85 -0.07 -0.29 4.34 0.11 -1.66 -2.18 132.00 138.10 1jdl h PRO 75 Ca 0.02 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.15 1jdl h PRO 75 Cb 1.18 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1jdl h PRO 75 CO 0.01 -0.05 0.15 -0.91 -0.21 0.00 0.00 178.00 176.99 1jdl h ASN 76 N -0.07 0.22 -0.65 -2.05 -0.26 -1.89 -1.92 115.58 108.96 1jdl h ASN 76 Ca 0.23 0.01 0.03 0.00 -0.56 0.00 0.00 56.30 56.02 1jdl h ASN 76 Cb 0.43 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.62 1jdl h ASN 76 CO -0.54 0.16 0.40 0.00 -1.06 0.00 0.00 177.43 176.39 1jdl h ALA 77 N 1.15 0.84 -0.04 -0.83 0.00 -1.86 -0.88 119.26 117.65 1jdl h ALA 77 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jdl h ALA 77 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jdl h ALA 77 CO -0.08 0.14 0.01 0.35 0.00 0.00 0.00 179.25 179.67 1jdl h PHE 78 N 0.77 0.06 -0.68 0.00 3.57 -1.16 -2.27 116.94 117.23 1jdl h PHE 78 Ca 0.26 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1jdl h PHE 78 Cb 0.04 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1jdl h PHE 78 CO -0.05 0.20 0.27 -0.07 -2.23 0.00 0.00 178.31 176.43 1jdl h LEU 79 N -0.11 0.94 -0.58 0.59 3.38 -1.17 -1.05 115.31 117.32 1jdl h LEU 79 Ca 0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1jdl h LEU 79 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1jdl h LEU 79 CO -0.00 0.86 0.14 0.03 0.09 0.00 0.00 178.44 179.56 1jdl h ARG 80 N 0.97 0.92 -0.47 1.13 3.08 -1.15 -2.15 114.38 116.71 1jdl h ARG 80 Ca 0.23 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1jdl h ARG 80 Cb 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1jdl h ARG 80 CO -0.02 0.85 -0.19 -0.22 -1.07 0.00 0.00 179.97 179.32 1jdl h LYS 81 N 0.83 0.94 -0.44 0.04 3.64 -1.26 -1.90 116.57 118.42 1jdl h LYS 81 Ca 0.18 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1jdl h LYS 81 Cb 0.34 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1jdl h LYS 81 CO 0.00 1.05 0.27 0.35 -2.27 0.00 0.00 179.45 178.85 1jdl h PHE 82 N 0.82 0.58 -0.59 1.91 3.57 -1.01 -0.22 116.94 122.00 1jdl h PHE 82 Ca 0.11 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1jdl h PHE 82 Cb 0.75 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1jdl h PHE 82 CO 0.05 0.40 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.42 1jdl h LEU 83 N 0.59 1.06 -0.16 0.59 3.38 -1.31 -2.06 115.31 117.40 1jdl h LEU 83 Ca 0.16 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1jdl h LEU 83 Cb -0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1jdl h LEU 83 CO -0.03 1.13 0.04 0.00 0.09 0.00 0.00 178.44 179.66 1jdl h ALA 84 N 0.97 0.20 -0.12 1.53 0.00 -1.12 0.13 119.26 120.85 1jdl h ALA 84 Ca 0.16 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jdl h ALA 84 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jdl h ALA 84 CO 0.04 -0.16 0.08 -0.44 0.00 0.00 0.00 179.25 178.77 1jdl h ASP 85 N 0.05 0.09 0.83 0.00 3.32 -0.96 -1.63 116.42 118.11 1jdl h ASP 85 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1jdl h ASP 85 Cb 0.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1jdl h ASP 85 CO 0.00 0.06 -0.04 0.00 -1.72 0.00 0.00 179.24 177.55 1jdl n ALA 86 N -2.54 2.47 -0.23 3.45 0.00 -0.78 -4.90 120.51 117.98 1jdl n ALA 86 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jdl n ALA 86 Cb 0.13 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1jdl n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdl n GLY 87 N 1.43 0.86 2.44 0.00 0.00 -0.61 -4.99 105.19 104.32 1jdl n GLY 87 Ca 0.09 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1jdl n GLY 87 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jdl n HIS 88 N -2.23 2.62 -0.12 1.61 8.25 0.41 -4.87 115.22 120.89 1jdl n HIS 88 Ca 0.00 -2.75 0.06 0.00 -0.26 0.00 0.00 57.72 54.77 1jdl n HIS 88 Cb 0.00 -0.21 0.39 0.00 1.12 0.00 0.00 29.99 31.29 1jdl n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jdl h ALA 89 N 2.57 1.74 -0.01 -1.41 0.00 -1.78 -1.80 119.26 118.57 1jdl h ALA 89 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jdl h ALA 89 Cb 1.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1jdl h ALA 89 CO 0.70 0.17 0.02 1.05 0.00 0.00 0.00 179.25 181.19 1jdl h GLU 90 N 0.67 0.00 -0.21 0.00 4.11 -1.91 -1.07 114.58 116.16 1jdl h GLU 90 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1jdl h GLU 90 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1jdl h GLU 90 CO -0.08 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.04 1jdl n GLN 91 N -3.70 1.91 -0.83 1.06 6.02 -0.68 -4.09 117.38 117.07 1jdl n GLN 91 Ca -0.03 -1.37 0.07 0.00 -0.01 0.00 0.00 57.00 55.67 1jdl n GLN 91 Cb 0.10 -1.42 0.39 0.00 1.02 0.00 0.00 30.24 30.33 1jdl n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jdl n ALA 92 N 0.60 3.72 0.16 -1.58 0.00 -0.41 -4.38 120.51 118.63 1jdl n ALA 92 Ca 0.17 -1.93 0.11 0.00 0.00 0.00 0.00 53.44 51.79 1jdl n ALA 92 Cb 0.40 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 18.85 1jdl n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jdl h LYS 93 N 3.82 0.00 0.00 0.00 1.57 -1.74 -3.46 116.57 116.76 1jdl h LYS 93 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1jdl h LYS 93 Cb 1.88 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.22 1jdl h LYS 93 CO 0.44 0.02 0.07 0.41 -0.57 0.00 0.00 179.45 179.82 1jdl n GLY 94 N 1.15 -1.04 3.11 3.86 0.00 -1.26 -5.11 105.19 105.90 1jdl n GLY 94 Ca 0.02 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 1jdl n GLY 94 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jdl s SER 95 N -1.84 1.24 0.49 1.61 0.15 -1.26 -4.98 113.70 109.10 1jdl s SER 95 Ca 0.13 -0.56 -0.18 0.00 0.70 0.00 0.00 55.95 56.04 1jdl s SER 95 Cb -0.00 -0.01 -0.09 0.00 -1.71 0.00 0.00 66.02 64.21 1jdl s SER 95 CO 0.09 -0.13 0.98 0.28 1.20 0.00 0.00 173.24 175.66 1jdl s THR 96 N -1.27 4.36 -0.80 6.45 -1.32 -1.26 -4.74 115.64 117.06 1jdl s THR 96 Ca -0.06 1.28 0.24 0.00 -1.21 0.00 0.00 61.69 61.94 1jdl s THR 96 Cb -0.10 -3.63 0.23 0.00 -1.51 0.00 0.00 72.50 67.50 1jdl s THR 96 CO 0.01 -0.50 1.74 0.29 -2.21 0.00 0.00 174.62 173.94 1jdl n LYS 97 N -1.22 0.12 -2.69 7.08 5.02 -1.26 -4.62 118.16 120.59 1jdl n LYS 97 Ca 0.07 0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 56.15 1jdl n LYS 97 Cb 0.54 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 1jdl n LYS 97 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1jdl s MET 98 N -3.10 3.20 -1.08 1.97 1.75 -1.26 -4.92 119.30 115.86 1jdl s MET 98 Ca 0.09 -0.42 -0.05 0.00 -1.25 0.00 0.00 55.69 54.06 1jdl s MET 98 Cb 0.13 -4.17 0.30 0.00 2.84 0.00 0.00 34.83 33.93 1jdl s MET 98 CO 0.46 -1.93 1.39 0.28 -0.65 0.00 0.00 175.02 174.56 1jdl n VAL 99 N 6.22 5.11 -3.61 10.11 0.31 -1.26 -4.85 118.33 130.35 1jdl n VAL 99 Ca 0.01 -5.80 -0.14 0.00 -0.01 0.00 0.00 64.34 58.40 1jdl n VAL 99 Cb 0.48 -2.19 -0.07 0.00 -0.91 0.00 0.00 33.84 31.14 1jdl n VAL 99 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1jdl s PHE 100 N -2.45 -0.73 0.05 3.52 2.19 -1.26 -5.18 117.98 114.13 1jdl s PHE 100 Ca 0.31 1.70 0.05 0.00 0.33 0.00 0.00 56.93 59.31 1jdl s PHE 100 Cb 0.02 0.31 -0.02 0.00 -1.31 0.00 0.00 43.02 42.01 1jdl s PHE 100 CO 0.06 -0.40 -0.13 0.15 1.83 0.00 0.00 175.22 176.73 1jdl s LYS 101 N 0.08 0.82 -0.45 10.12 1.02 -1.26 -4.66 119.74 125.42 1jdl s LYS 101 Ca -0.01 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.16 1jdl s LYS 101 Cb -0.04 -0.81 0.14 0.00 -0.52 0.00 0.00 37.83 36.60 1jdl s LYS 101 CO 0.02 0.19 0.26 -1.17 -0.92 0.00 0.00 175.35 173.73 1jdl s LEU 102 N -1.44 2.58 0.16 3.17 0.20 -0.27 -5.00 118.68 118.08 1jdl s LEU 102 Ca -0.01 -2.70 -0.10 0.00 0.69 0.00 0.00 54.13 52.01 1jdl s LEU 102 Cb -0.09 -0.97 0.01 0.00 -0.43 0.00 0.00 46.19 44.71 1jdl s LEU 102 CO 0.02 -0.25 1.53 1.55 -0.29 0.00 0.00 176.35 178.91 1jdl h PRO 103 N 6.58 0.96 -6.37 0.98 0.13 -1.82 -3.24 132.00 129.21 1jdl h PRO 103 Ca 0.03 -0.44 -0.57 0.00 -0.87 0.00 0.00 66.00 64.15 1jdl h PRO 103 Cb 0.92 -0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.06 1jdl h PRO 103 CO 0.47 1.11 1.13 -3.47 -0.23 0.00 0.00 178.00 177.00 1jdl n ASP 104 N -4.09 3.80 -0.22 1.44 -0.08 -1.26 -4.88 116.55 111.26 1jdl n ASP 104 Ca -0.01 0.96 -0.05 0.00 -1.51 0.00 0.00 54.79 54.19 1jdl n ASP 104 Cb 0.49 -1.46 0.06 0.00 2.34 0.00 0.00 41.12 42.54 1jdl n ASP 104 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1jdl h GLU 105 N 9.31 0.75 -0.22 -0.67 4.81 -1.99 -1.83 114.58 124.74 1jdl h GLU 105 Ca -0.48 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1jdl h GLU 105 Cb 1.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1jdl h GLU 105 CO 0.94 0.50 0.08 0.37 -0.73 0.00 0.00 179.01 180.17 1jdl h GLN 106 N 0.77 0.34 -0.97 1.92 5.75 -1.99 -0.83 115.11 120.09 1jdl h GLN 106 Ca 0.24 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.71 1jdl h GLN 106 Cb -0.01 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 1jdl h GLN 106 CO -0.09 0.41 0.64 0.93 -2.65 0.00 0.00 178.83 178.07 1jdl h GLU 107 N 0.20 1.19 -0.26 1.69 5.08 -1.92 -0.06 114.58 120.50 1jdl h GLU 107 Ca 0.07 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1jdl h GLU 107 Cb 0.20 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1jdl h GLU 107 CO -0.00 0.79 0.09 0.00 -1.00 0.00 0.00 179.01 178.89 1jdl h ARG 108 N 1.23 0.40 -0.65 2.33 3.08 -1.02 0.16 114.38 119.91 1jdl h ARG 108 Ca 0.39 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.36 1jdl h ARG 108 Cb 0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1jdl h ARG 108 CO -0.12 0.45 0.43 0.87 -1.07 0.00 0.00 179.97 180.54 1jdl h LYS 109 N 0.27 0.85 -0.30 0.04 1.57 -0.49 -1.96 116.57 116.54 1jdl h LYS 109 Ca 0.09 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1jdl h LYS 109 Cb 0.21 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1jdl h LYS 109 CO -0.00 0.56 -0.12 -0.44 -0.57 0.00 0.00 179.45 178.88 1jdl h ASP 110 N 0.88 0.63 -0.08 0.86 3.32 -0.83 -1.40 116.42 119.79 1jdl h ASP 110 Ca 0.24 -0.39 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 1jdl h ASP 110 Cb -0.09 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1jdl h ASP 110 CO -0.06 0.89 -0.16 1.62 -1.72 0.00 0.00 179.24 179.80 1jdl h VAL 111 N 0.38 1.23 -0.29 -1.35 3.04 -0.87 -1.20 116.25 117.19 1jdl h VAL 111 Ca 0.07 -1.06 -0.14 0.00 -1.01 0.00 0.00 66.70 64.56 1jdl h VAL 111 Cb 0.63 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1jdl h VAL 111 CO 0.04 0.34 -0.40 0.58 -1.01 0.00 0.00 177.57 177.13 1jdl h VAL 112 N 0.41 1.29 -0.44 1.51 2.07 -1.26 -0.62 116.25 119.21 1jdl h VAL 112 Ca 0.07 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1jdl h VAL 112 Cb 0.53 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1jdl h VAL 112 CO 0.03 0.50 0.14 0.00 0.02 0.00 0.00 177.57 178.27 1jdl h ALA 113 N 0.99 1.43 -0.23 1.67 0.00 -0.64 -0.81 119.26 121.67 1jdl h ALA 113 Ca 0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1jdl h ALA 113 Cb 0.93 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1jdl h ALA 113 CO 0.08 0.43 -0.15 -0.92 0.00 0.00 0.00 179.25 178.69 1jdl h TYR 114 N 0.63 0.59 -0.07 0.00 3.20 -0.79 -3.10 116.97 117.43 1jdl h TYR 114 Ca 0.15 -0.16 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1jdl h TYR 114 Cb 0.18 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1jdl h TYR 114 CO 0.01 0.80 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.13 1jdl h LEU 115 N 0.20 0.10 -2.16 2.82 3.38 -0.61 -2.11 115.31 116.93 1jdl h LEU 115 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jdl h LEU 115 Cb 0.67 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1jdl h LEU 115 CO 0.04 0.25 -0.05 0.11 0.09 0.00 0.00 178.44 178.88 1jdl h LYS 116 N 0.10 0.00 0.00 1.13 1.57 -1.08 -2.03 116.57 116.25 1jdl h LYS 116 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1jdl h LYS 116 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1jdl h LYS 116 CO 0.02 0.05 0.00 1.96 -0.57 0.00 0.00 179.45 180.90 1jdl h GLN 117 N 0.00 0.00 -0.37 3.15 4.20 -1.43 -3.05 115.11 117.61 1jdl h GLN 117 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jdl h GLN 117 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1jdl h GLN 117 CO 0.01 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.36 1jdl n PHE 118 N -2.53 1.07 -4.03 2.96 3.72 -0.76 -4.97 117.46 112.92 1jdl n PHE 118 Ca 0.02 -0.75 -0.12 0.00 -0.05 0.00 0.00 57.45 56.55 1jdl n PHE 118 Cb 0.27 -0.27 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 1jdl n PHE 118 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1jdl s SER 119 N -1.47 0.56 0.00 4.37 0.01 -1.15 -1.41 113.70 114.61 1jdl s SER 119 Ca 0.41 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1jdl s SER 119 Cb 0.31 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1jdl s SER 119 CO 0.13 -0.22 0.28 -2.65 0.41 0.00 0.00 173.24 171.19