#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kdn n ASN 7 N 0.00 3.61 -1.10 6.55 5.03 -1.26 -4.26 115.26 123.83 1kdn n ASN 7 Ca 0.00 -3.06 0.11 0.00 0.87 0.00 0.00 54.58 52.49 1kdn n ASN 7 Cb 0.00 -0.72 0.23 0.00 -1.02 0.00 0.00 39.78 38.27 1kdn n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1kdn n LYS 8 N -0.52 2.51 -1.92 3.52 4.76 -1.26 -3.17 118.16 122.08 1kdn n LYS 8 Ca 0.39 -2.31 -0.39 0.00 -2.87 0.00 0.00 58.31 53.13 1kdn n LYS 8 Cb 1.27 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 33.00 1kdn n LYS 8 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1kdn s GLU 9 N -1.23 3.54 0.15 1.97 2.12 -1.24 -4.75 118.70 119.26 1kdn s GLU 9 Ca 0.38 2.19 0.07 0.00 0.36 0.00 0.00 54.97 57.97 1kdn s GLU 9 Cb 0.21 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 1kdn s GLU 9 CO 0.29 -0.86 -0.15 1.03 -0.54 0.00 0.00 175.26 175.04 1kdn s ARG 10 N -2.63 1.15 0.06 4.30 0.52 -1.26 -1.52 118.95 119.57 1kdn s ARG 10 Ca 0.65 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 1kdn s ARG 10 Cb -0.39 -1.00 -0.04 0.00 0.52 0.00 0.00 34.95 34.04 1kdn s ARG 10 CO 0.48 0.18 -0.05 -0.08 0.02 0.00 0.00 175.30 175.86 1kdn s THR 11 N -2.44 0.39 -0.15 0.02 -1.32 -0.49 -4.69 115.64 106.95 1kdn s THR 11 Ca 0.14 -1.64 -0.04 0.00 -1.21 0.00 0.00 61.69 58.94 1kdn s THR 11 Cb -0.03 -1.30 -0.03 0.00 -1.51 0.00 0.00 72.50 69.63 1kdn s THR 11 CO 0.04 -0.82 -0.01 0.12 -2.21 0.00 0.00 174.62 171.74 1kdn s PHE 12 N -3.20 3.09 0.05 9.09 5.36 -1.26 -2.66 117.98 128.44 1kdn s PHE 12 Ca 0.03 -0.15 0.06 0.00 -0.96 0.00 0.00 56.93 55.91 1kdn s PHE 12 Cb 0.03 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.73 1kdn s PHE 12 CO -0.06 0.07 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.10 1kdn s LEU 13 N 0.19 2.19 -0.03 6.12 1.43 -0.24 -1.86 118.68 126.49 1kdn s LEU 13 Ca -0.00 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1kdn s LEU 13 Cb -0.13 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.43 1kdn s LEU 13 CO 0.02 0.05 0.04 0.00 0.23 0.00 0.00 176.35 176.69 1kdn s ALA 14 N -0.91 0.12 -0.34 4.21 0.00 0.20 -1.42 121.76 123.62 1kdn s ALA 14 Ca 0.03 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.99 1kdn s ALA 14 Cb -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1kdn s ALA 14 CO 0.02 -0.22 0.97 0.08 0.00 0.00 0.00 175.76 176.61 1kdn s VAL 15 N 1.39 4.58 0.98 0.00 1.01 0.07 -0.77 120.40 127.66 1kdn s VAL 15 Ca -0.05 1.43 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 1kdn s VAL 15 Cb -0.13 -4.34 0.18 0.00 0.00 0.00 0.00 36.38 32.09 1kdn s VAL 15 CO -0.03 -0.47 1.09 -0.54 0.00 0.00 0.00 175.10 175.15 1kdn s LYS 16 N 3.48 0.55 0.55 2.72 1.02 0.01 -2.01 119.74 126.06 1kdn s LYS 16 Ca 0.41 0.67 0.27 0.00 0.02 0.00 0.00 55.97 57.33 1kdn s LYS 16 Cb -0.12 -1.74 1.45 0.00 -0.52 0.00 0.00 37.83 36.90 1kdn s LYS 16 CO 0.16 -2.68 1.98 -1.35 -0.92 0.00 0.00 175.35 172.54 1kdn h PRO 17 N -1.86 0.00 -0.24 -1.68 0.11 -1.86 -0.76 132.00 125.70 1kdn h PRO 17 Ca -0.53 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.43 1kdn h PRO 17 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1kdn h PRO 17 CO 0.55 0.00 -0.41 0.38 -0.21 0.00 0.00 178.00 178.31 1kdn h ASP 18 N 0.00 0.78 -0.64 -2.05 2.03 -1.88 -1.09 116.42 113.58 1kdn h ASP 18 Ca 0.24 -0.53 -0.06 0.00 -0.73 0.00 0.00 57.03 55.95 1kdn h ASP 18 Cb 1.03 -0.22 -0.03 0.00 -0.83 0.00 0.00 39.33 39.28 1kdn h ASP 18 CO -0.00 1.16 0.18 1.23 -1.03 0.00 0.00 179.24 180.78 1kdn h GLY 19 N 0.42 1.11 0.73 7.15 0.00 -1.33 0.34 103.07 111.49 1kdn h GLY 19 Ca 0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1kdn h GLY 19 CO 0.09 0.61 -0.03 -2.08 0.00 0.00 0.00 176.54 175.14 1kdn h VAL 20 N 0.99 1.29 -0.01 4.60 2.07 -1.30 -1.05 116.25 122.84 1kdn h VAL 20 Ca 0.21 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1kdn h VAL 20 Cb 0.31 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1kdn h VAL 20 CO -0.00 0.28 -0.22 0.00 0.02 0.00 0.00 177.57 177.65 1kdn h ALA 21 N 0.69 1.63 -0.05 1.67 0.00 -0.89 -1.47 119.26 120.84 1kdn h ALA 21 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1kdn h ALA 21 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1kdn h ALA 21 CO 0.01 0.28 0.00 0.54 0.00 0.00 0.00 179.25 180.08 1kdn n ARG 22 N -4.28 1.29 -3.14 0.00 1.74 0.08 -4.94 116.66 107.42 1kdn n ARG 22 Ca -0.02 -0.43 -0.14 0.00 -0.77 0.00 0.00 57.85 56.49 1kdn n ARG 22 Cb 0.28 -1.38 0.06 0.00 -1.02 0.00 0.00 32.46 30.40 1kdn n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kdn n GLY 23 N 0.97 -0.10 0.60 -0.13 0.00 -0.55 -4.96 105.19 101.02 1kdn n GLY 23 Ca 0.17 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1kdn n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kdn n LEU 24 N -3.41 2.62 0.06 0.99 4.77 -0.41 -4.71 117.00 116.91 1kdn n LEU 24 Ca -0.09 -1.64 -0.11 0.00 -0.03 0.00 0.00 56.01 54.14 1kdn n LEU 24 Cb 0.58 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1kdn n LEU 24 CO 0.44 0.61 0.81 0.58 -1.33 0.00 0.00 177.39 178.50 1kdn h VAL 25 N 2.21 0.79 -0.25 4.08 2.07 -1.88 -1.65 116.25 121.62 1kdn h VAL 25 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1kdn h VAL 25 Cb 0.65 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1kdn h VAL 25 CO 0.00 0.00 -0.29 1.23 0.02 0.00 0.00 177.57 178.53 1kdn h GLY 26 N -0.16 0.53 0.97 2.17 0.00 -1.97 -0.78 103.07 103.84 1kdn h GLY 26 Ca 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1kdn h GLY 26 CO -0.07 0.41 0.25 -2.09 0.00 0.00 0.00 176.54 175.04 1kdn h GLU 27 N 0.43 0.69 -0.14 4.80 4.57 -1.82 -0.34 114.58 122.76 1kdn h GLU 27 Ca 0.06 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1kdn h GLU 27 Cb 0.72 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1kdn h GLU 27 CO 0.06 0.56 -0.02 0.82 -1.18 0.00 0.00 179.01 179.25 1kdn h ILE 28 N 0.65 1.27 -0.52 2.32 2.04 -0.96 -2.55 117.51 119.76 1kdn h ILE 28 Ca 0.17 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1kdn h ILE 28 Cb 0.09 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1kdn h ILE 28 CO -0.02 0.27 0.33 0.40 0.00 0.00 0.00 178.15 179.12 1kdn h ILE 29 N -0.02 1.09 -0.20 -0.67 2.04 -1.03 -2.57 117.51 116.15 1kdn h ILE 29 Ca 0.04 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1kdn h ILE 29 Cb 0.42 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1kdn h ILE 29 CO 0.01 0.12 0.09 0.00 0.00 0.00 0.00 178.15 178.37 1kdn h ALA 30 N 1.22 1.80 -0.67 1.87 0.00 -1.01 -1.05 119.26 121.41 1kdn h ALA 30 Ca 0.20 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1kdn h ALA 30 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1kdn h ALA 30 CO -0.07 0.17 0.16 0.00 0.00 0.00 0.00 179.25 179.51 1kdn h ARG 31 N 0.27 1.07 0.04 0.00 3.08 -1.04 -1.29 114.38 116.52 1kdn h ARG 31 Ca 0.07 -0.25 -0.23 0.00 0.07 0.00 0.00 59.98 59.65 1kdn h ARG 31 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1kdn h ARG 31 CO -0.01 0.95 -1.02 1.88 -1.07 0.00 0.00 179.97 180.69 1kdn h TYR 32 N 1.02 0.30 -0.59 3.04 0.05 -1.26 -3.00 116.97 116.53 1kdn h TYR 32 Ca 0.21 -0.19 -0.08 0.00 0.05 0.00 0.00 58.73 58.72 1kdn h TYR 32 Cb 0.36 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1kdn h TYR 32 CO 0.03 1.08 0.05 0.93 -1.05 0.00 0.00 178.16 179.21 1kdn h GLU 33 N 0.08 1.00 -0.08 4.88 5.08 -1.09 -2.45 114.58 122.00 1kdn h GLU 33 Ca -0.07 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1kdn h GLU 33 Cb 1.72 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1kdn h GLU 33 CO 0.16 0.97 -0.27 0.87 -1.00 0.00 0.00 179.01 179.74 1kdn h LYS 34 N 0.90 0.14 0.00 2.33 1.57 -1.27 -2.44 116.57 117.81 1kdn h LYS 34 Ca 0.17 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1kdn h LYS 34 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1kdn h LYS 34 CO 0.02 0.41 -0.36 -0.22 -0.57 0.00 0.00 179.45 178.73 1kdn h LYS 35 N 0.13 0.00 0.00 3.15 1.63 -1.39 -3.47 116.57 116.63 1kdn h LYS 35 Ca 0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1kdn h LYS 35 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1kdn h LYS 35 CO 0.04 0.36 0.00 0.41 -3.45 0.00 0.00 179.45 176.81 1kdn n GLY 36 N -0.47 1.00 3.79 5.01 0.00 -0.92 -5.11 105.19 108.49 1kdn n GLY 36 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1kdn n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kdn s PHE 37 N -2.00 3.47 -0.17 1.61 0.08 -0.94 -4.82 117.98 115.22 1kdn s PHE 37 Ca 0.00 1.70 -0.08 0.00 0.12 0.00 0.00 56.93 58.67 1kdn s PHE 37 Cb 0.00 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 1kdn s PHE 37 CO 0.00 -0.13 0.10 0.08 -0.10 0.00 0.00 175.22 175.17 1kdn s VAL 38 N -1.75 5.19 -0.25 -0.44 1.01 -0.53 -4.43 120.40 119.20 1kdn s VAL 38 Ca 0.55 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 1kdn s VAL 38 Cb -0.18 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1kdn s VAL 38 CO 0.23 0.50 1.18 -0.22 0.00 0.00 0.00 175.10 176.80 1kdn s LEU 39 N -0.09 4.03 0.00 3.92 2.96 -1.26 -0.69 118.68 127.56 1kdn s LEU 39 Ca 0.09 1.36 0.09 0.00 -0.22 0.00 0.00 54.13 55.45 1kdn s LEU 39 Cb -0.12 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.97 1kdn s LEU 39 CO 0.00 -0.85 0.44 1.33 -1.32 0.00 0.00 176.35 175.95 1kdn n VAL 40 N 5.68 0.00 -3.70 1.68 0.24 0.79 -4.92 118.33 118.09 1kdn n VAL 40 Ca 0.13 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 61.97 1kdn n VAL 40 Cb 0.46 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.77 1kdn n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1kdn s GLY 41 N -1.67 -0.36 -0.28 7.63 0.00 -1.17 -0.88 107.32 110.59 1kdn s GLY 41 Ca 0.05 1.27 -0.15 0.00 0.00 0.00 0.00 44.72 45.88 1kdn s GLY 41 CO 0.32 1.07 0.69 -2.27 0.00 0.00 0.00 173.10 172.91 1kdn s LEU 42 N -0.01 -0.97 0.11 0.66 2.96 -1.26 -1.89 118.68 118.29 1kdn s LEU 42 Ca -0.02 1.51 -0.25 0.00 -0.22 0.00 0.00 54.13 55.15 1kdn s LEU 42 Cb -0.03 2.36 0.07 0.00 0.50 0.00 0.00 46.19 49.09 1kdn s LEU 42 CO 0.02 -0.23 0.63 -1.59 -1.32 0.00 0.00 176.35 173.85 1kdn s LYS 43 N 1.80 1.22 -0.10 1.98 -2.85 -0.28 -5.01 119.74 116.49 1kdn s LYS 43 Ca -0.09 -0.32 0.01 0.00 -1.00 0.00 0.00 55.97 54.56 1kdn s LYS 43 Cb -0.06 0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1kdn s LYS 43 CO -0.20 -0.51 -0.12 -1.14 0.10 0.00 0.00 175.35 173.48 1kdn s GLN 44 N -3.22 3.08 0.12 1.78 0.74 -1.26 -0.82 119.66 120.08 1kdn s GLN 44 Ca -0.01 -0.67 -0.17 0.00 0.05 0.00 0.00 55.36 54.57 1kdn s GLN 44 Cb -0.01 -2.57 0.04 0.00 1.10 0.00 0.00 33.01 31.57 1kdn s GLN 44 CO -0.08 0.38 0.42 -0.48 -0.55 0.00 0.00 175.29 174.97 1kdn s LEU 45 N -0.08 0.33 -0.41 3.68 2.34 -0.83 -4.97 118.68 118.74 1kdn s LEU 45 Ca -0.02 -0.28 -0.15 0.00 0.06 0.00 0.00 54.13 53.75 1kdn s LEU 45 Cb -0.14 1.89 0.02 0.00 -0.56 0.00 0.00 46.19 47.40 1kdn s LEU 45 CO 0.04 -0.85 0.29 -0.69 -1.06 0.00 0.00 176.35 174.08 1kdn s VAL 46 N -3.74 5.22 0.60 1.48 1.01 -1.26 -0.82 120.40 122.89 1kdn s VAL 46 Ca 0.02 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 1kdn s VAL 46 Cb 0.02 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1kdn s VAL 46 CO -0.12 -0.30 1.06 -2.65 0.00 0.00 0.00 175.10 173.10 1kdn n PRO 47 N 5.15 1.02 -3.09 2.72 -0.02 -1.26 -5.00 135.00 134.51 1kdn n PRO 47 Ca -0.11 0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 61.50 1kdn n PRO 47 Cb 0.47 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1kdn n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1kdn s THR 48 N -1.46 5.02 0.39 3.45 -1.32 -1.26 -4.64 115.64 115.82 1kdn s THR 48 Ca 0.77 -0.16 0.06 0.00 -1.21 0.00 0.00 61.69 61.15 1kdn s THR 48 Cb -0.41 -3.85 0.27 0.00 -1.51 0.00 0.00 72.50 67.00 1kdn s THR 48 CO 0.46 -0.65 2.04 0.50 -2.21 0.00 0.00 174.62 174.76 1kdn h LYS 49 N 0.64 0.63 -0.39 7.08 3.64 -1.94 -1.49 116.57 124.74 1kdn h LYS 49 Ca -0.48 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 1kdn h LYS 49 Cb 1.21 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1kdn h LYS 49 CO 0.62 0.42 0.08 -0.44 -2.27 0.00 0.00 179.45 177.85 1kdn h ASP 50 N 0.65 0.61 0.14 4.20 3.32 -1.98 -1.03 116.42 122.33 1kdn h ASP 50 Ca 0.19 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1kdn h ASP 50 Cb -0.03 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1kdn h ASP 50 CO -0.04 0.70 -0.07 0.25 -1.72 0.00 0.00 179.24 178.36 1kdn h LEU 51 N 0.49 -0.16 -0.38 1.55 5.85 -1.90 -1.35 115.31 119.42 1kdn h LEU 51 Ca 0.12 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1kdn h LEU 51 Cb 0.34 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1kdn h LEU 51 CO 0.01 0.06 -0.09 0.00 -0.34 0.00 0.00 178.44 178.08 1kdn h ALA 52 N 0.46 0.26 -0.14 1.25 0.00 -1.23 0.15 119.26 120.00 1kdn h ALA 52 Ca -0.02 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1kdn h ALA 52 Cb 0.30 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1kdn h ALA 52 CO 0.03 -0.45 -0.25 0.93 0.00 0.00 0.00 179.25 179.51 1kdn h GLU 53 N 0.01 0.25 0.06 0.00 5.08 -1.12 -1.61 114.58 117.24 1kdn h GLU 53 Ca 0.18 -0.08 -0.26 0.00 -1.00 0.00 0.00 59.36 58.20 1kdn h GLU 53 Cb 0.27 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.53 1kdn h GLU 53 CO -0.38 0.50 -1.05 0.77 -1.00 0.00 0.00 179.01 177.85 1kdn h SER 54 N 0.23 0.82 -0.29 1.42 0.02 -0.78 -1.85 113.55 113.13 1kdn h SER 54 Ca 0.04 -0.79 0.02 0.00 -0.84 0.00 0.00 61.79 60.22 1kdn h SER 54 Cb 0.57 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1kdn h SER 54 CO 0.04 1.51 0.14 -0.74 -1.14 0.00 0.00 176.83 176.65 1kdn h HIS 55 N 0.23 0.27 -0.94 3.45 -0.00 -0.62 -2.72 115.15 114.83 1kdn h HIS 55 Ca -0.15 0.01 -0.56 0.00 -0.00 0.00 0.00 60.37 59.67 1kdn h HIS 55 Cb 1.73 -0.08 -0.29 0.00 -0.00 0.00 0.00 27.41 28.77 1kdn h HIS 55 CO 0.12 0.15 0.63 0.66 -0.00 0.00 0.00 177.93 179.49 1kdn n TYR 56 N -4.96 2.98 0.00 5.26 4.01 -0.62 -4.72 117.16 119.12 1kdn n TYR 56 Ca -0.01 -2.35 0.08 0.00 -0.16 0.00 0.00 57.90 55.46 1kdn n TYR 56 Cb 0.07 -1.11 0.49 0.00 -0.31 0.00 0.00 39.34 38.48 1kdn n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1kdn h ALA 57 N 1.47 1.88 0.00 -0.72 0.00 -0.99 -2.12 119.26 118.77 1kdn h ALA 57 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1kdn h ALA 57 Cb 1.86 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1kdn h ALA 57 CO 1.25 0.06 0.00 -0.85 0.00 0.00 0.00 179.25 179.71 1kdn n GLU 58 N -4.48 0.12 -0.17 0.00 0.28 -1.26 -2.15 120.64 112.98 1kdn n GLU 58 Ca 0.05 0.45 0.07 0.00 -0.16 0.00 0.00 57.16 57.58 1kdn n GLU 58 Cb 0.19 -1.78 0.16 0.00 1.43 0.00 0.00 31.44 31.44 1kdn n GLU 58 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1kdn n HIS 59 N -2.03 0.45 0.25 -1.84 8.25 -0.80 -4.71 115.22 114.80 1kdn n HIS 59 Ca 0.01 -0.36 0.13 0.00 -0.26 0.00 0.00 57.72 57.25 1kdn n HIS 59 Cb 0.14 -0.01 0.71 0.00 1.12 0.00 0.00 29.99 31.95 1kdn n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1kdn h LYS 60 N 2.78 0.00 0.00 -0.41 2.10 -1.52 -0.19 116.57 119.33 1kdn h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1kdn h LYS 60 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1kdn h LYS 60 CO 0.00 0.00 -1.18 0.39 -2.00 0.00 0.00 179.45 176.66 1kdn n GLU 61 N -2.54 0.15 -2.43 0.07 1.02 -1.26 -4.94 120.64 110.71 1kdn n GLU 61 Ca -0.02 -0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.69 1kdn n GLU 61 Cb 0.23 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 1kdn n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1kdn s ARG 62 N -3.08 4.46 0.61 3.49 1.81 -0.08 -4.93 118.95 121.22 1kdn s ARG 62 Ca 0.05 1.80 0.30 0.00 -1.72 0.00 0.00 55.73 56.16 1kdn s ARG 62 Cb 0.16 -3.01 1.61 0.00 -0.45 0.00 0.00 34.95 33.26 1kdn s ARG 62 CO 0.87 0.05 2.00 -1.00 -0.68 0.00 0.00 175.30 176.54 1kdn h PRO 63 N 3.42 0.00 -0.00 3.54 0.13 -1.93 -2.11 132.00 135.04 1kdn h PRO 63 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1kdn h PRO 63 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1kdn h PRO 63 CO 0.65 0.00 -0.41 1.97 -0.23 0.00 0.00 178.00 179.99 1kdn n PHE 64 N -3.56 0.00 0.00 1.56 1.16 -1.26 -4.45 117.46 110.91 1kdn n PHE 64 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.52 1kdn n PHE 64 Cb 0.46 -0.16 -0.03 0.00 -1.61 0.00 0.00 39.48 38.14 1kdn n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1kdn h PHE 65 N 0.74 -0.45 -0.45 2.97 3.57 -1.60 -0.20 116.94 121.52 1kdn h PHE 65 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1kdn h PHE 65 Cb 0.52 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 39.38 1kdn h PHE 65 CO 0.00 -0.25 -0.18 0.78 -2.23 0.00 0.00 178.31 176.43 1kdn h GLY 66 N -0.23 0.19 2.00 2.40 0.00 -1.80 0.14 103.07 105.77 1kdn h GLY 66 Ca 0.09 0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 1kdn h GLY 66 CO -0.25 -0.20 -0.28 -1.33 0.00 0.00 0.00 176.54 174.48 1kdn h GLY 67 N -0.08 0.00 0.46 4.60 0.00 -1.75 -1.28 103.07 105.02 1kdn h GLY 67 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1kdn h GLY 67 CO -0.51 0.00 -0.08 -2.00 0.00 0.00 0.00 176.54 173.95 1kdn h LEU 68 N 0.00 -0.19 -0.85 3.11 5.85 0.40 -1.81 115.31 121.81 1kdn h LEU 68 Ca -0.00 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1kdn h LEU 68 Cb 0.67 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1kdn h LEU 68 CO 0.04 0.31 0.56 0.58 -0.34 0.00 0.00 178.44 179.59 1kdn h VAL 69 N -0.78 1.20 -0.60 1.05 2.07 -0.98 0.16 116.25 118.39 1kdn h VAL 69 Ca -0.02 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1kdn h VAL 69 Cb 0.52 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1kdn h VAL 69 CO 0.04 0.21 0.29 -1.28 0.02 0.00 0.00 177.57 176.85 1kdn h SER 70 N 1.14 0.78 -0.15 0.57 0.87 -1.27 -2.59 113.55 112.90 1kdn h SER 70 Ca 0.32 -0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1kdn h SER 70 Cb -0.11 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.65 1kdn h SER 70 CO -0.08 0.68 -0.22 0.15 -0.53 0.00 0.00 176.83 176.84 1kdn h PHE 71 N 0.81 0.50 0.00 2.24 3.57 -0.64 -2.78 116.94 120.64 1kdn h PHE 71 Ca 0.21 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1kdn h PHE 71 Cb 0.11 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1kdn h PHE 71 CO -0.00 0.84 -0.02 0.97 -2.23 0.00 0.00 178.31 177.86 1kdn h ILE 72 N 0.02 0.28 -0.03 1.41 6.09 -0.64 -1.42 117.51 123.23 1kdn h ILE 72 Ca 0.01 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 1kdn h ILE 72 Cb 0.78 1.10 0.00 0.00 0.47 0.00 0.00 36.82 39.17 1kdn h ILE 72 CO 0.05 0.02 -0.07 0.35 -3.07 0.00 0.00 178.15 175.43 1kdn n THR 73 N -3.44 0.00 1.11 2.19 -2.24 -0.98 -4.40 114.28 106.52 1kdn n THR 73 Ca -0.03 -0.46 0.12 0.00 -2.27 0.00 0.00 64.05 61.41 1kdn n THR 73 Cb 0.12 1.44 0.61 0.00 -2.10 0.00 0.00 70.33 70.40 1kdn n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1kdn n SER 74 N 1.07 0.00 -2.72 3.42 3.41 -0.53 -4.78 113.62 113.49 1kdn n SER 74 Ca 0.13 0.07 -0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1kdn n SER 74 Cb 0.55 -0.34 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1kdn n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kdn n GLY 75 N 0.92 0.62 3.75 5.00 0.00 -1.26 -5.12 105.19 109.10 1kdn n GLY 75 Ca 0.10 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1kdn n GLY 75 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kdn s PRO 76 N -2.02 2.87 0.02 1.61 0.02 -1.26 -4.28 135.00 131.95 1kdn s PRO 76 Ca 0.18 1.78 0.03 0.00 0.02 0.00 0.00 61.00 63.00 1kdn s PRO 76 Cb -0.01 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.57 1kdn s PRO 76 CO 0.02 -1.28 -0.09 0.08 -0.33 0.00 0.00 177.00 175.41 1kdn s VAL 77 N -1.70 0.65 -0.31 3.83 1.01 -0.00 -3.75 120.40 120.13 1kdn s VAL 77 Ca 0.76 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1kdn s VAL 77 Cb -0.29 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.50 1kdn s VAL 77 CO 0.35 -0.06 0.06 0.68 0.00 0.00 0.00 175.10 176.14 1kdn s VAL 78 N -0.70 3.65 0.03 2.92 -7.23 -0.85 -1.97 120.40 116.25 1kdn s VAL 78 Ca -0.02 -0.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.97 1kdn s VAL 78 Cb -0.06 -2.98 -0.06 0.00 0.56 0.00 0.00 36.38 33.84 1kdn s VAL 78 CO 0.00 -0.03 0.55 0.00 -0.31 0.00 0.00 175.10 175.31 1kdn s ALA 79 N 1.41 3.57 0.07 1.32 0.00 -0.00 -0.75 121.76 127.38 1kdn s ALA 79 Ca -0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 1kdn s ALA 79 Cb -0.18 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.34 1kdn s ALA 79 CO 0.01 0.33 0.41 0.00 0.00 0.00 0.00 175.76 176.51 1kdn s MET 80 N -0.78 0.96 -0.07 0.00 0.23 -0.51 -1.13 119.30 118.01 1kdn s MET 80 Ca 0.29 -0.46 0.01 0.00 -1.03 0.00 0.00 55.69 54.49 1kdn s MET 80 Cb -0.19 0.43 0.02 0.00 -1.53 0.00 0.00 34.83 33.56 1kdn s MET 80 CO 0.17 -0.34 -0.08 0.54 -2.03 0.00 0.00 175.02 173.27 1kdn s VAL 81 N -2.86 0.89 0.07 5.16 0.11 -0.79 -1.08 120.40 121.89 1kdn s VAL 81 Ca -0.03 -0.31 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 1kdn s VAL 81 Cb 0.00 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1kdn s VAL 81 CO -0.05 0.31 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.64 1kdn s PHE 82 N 0.96 2.94 0.05 1.54 0.08 -1.09 -0.15 117.98 122.31 1kdn s PHE 82 Ca -0.10 -0.04 0.08 0.00 0.12 0.00 0.00 56.93 56.99 1kdn s PHE 82 Cb -0.15 -1.55 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 1kdn s PHE 82 CO 0.00 0.45 -0.22 -2.00 -0.10 0.00 0.00 175.22 173.36 1kdn s GLU 83 N -2.04 1.41 0.00 0.44 2.12 0.14 -1.40 118.70 119.36 1kdn s GLU 83 Ca 0.23 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.55 1kdn s GLU 83 Cb -0.11 -1.56 0.00 0.00 0.26 0.00 0.00 34.13 32.71 1kdn s GLU 83 CO 0.15 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.67 1kdn n GLY 84 N 1.71 1.84 3.75 -1.50 0.00 -0.57 -1.45 105.19 108.96 1kdn n GLY 84 Ca -0.17 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 1kdn n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kdn s LYS 85 N -2.00 4.18 -0.86 1.61 2.20 -1.25 -2.79 119.74 120.83 1kdn s LYS 85 Ca 0.00 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1kdn s LYS 85 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1kdn s LYS 85 CO 0.00 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 1kdn n GLY 86 N 2.32 -0.34 0.31 5.54 0.00 -1.26 -4.86 105.19 106.90 1kdn n GLY 86 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1kdn n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1kdn h VAL 87 N 0.00 1.13 0.18 1.61 3.04 -1.81 -1.16 116.25 119.24 1kdn h VAL 87 Ca -0.23 -0.30 -0.01 0.00 -1.01 0.00 0.00 66.70 65.15 1kdn h VAL 87 Cb 1.11 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1kdn h VAL 87 CO 0.28 0.14 -0.09 0.58 -1.01 0.00 0.00 177.57 177.47 1kdn h VAL 88 N 0.60 0.88 -0.07 1.51 2.07 -1.87 0.15 116.25 119.51 1kdn h VAL 88 Ca 0.16 -0.27 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1kdn h VAL 88 Cb -0.01 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1kdn h VAL 88 CO -0.03 0.06 -0.73 0.00 0.02 0.00 0.00 177.57 176.89 1kdn h ALA 89 N 0.43 0.62 -0.57 1.67 0.00 -1.86 -2.82 119.26 116.74 1kdn h ALA 89 Ca -0.02 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1kdn h ALA 89 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1kdn h ALA 89 CO 0.04 0.78 -0.03 1.03 0.00 0.00 0.00 179.25 181.07 1kdn h SER 90 N 0.24 0.99 0.25 0.00 0.87 -1.12 -2.29 113.55 112.49 1kdn h SER 90 Ca -0.03 -0.29 -0.09 0.00 -1.23 0.00 0.00 61.79 60.16 1kdn h SER 90 Cb 1.30 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1kdn h SER 90 CO 0.12 1.06 -0.35 0.00 -0.53 0.00 0.00 176.83 177.13 1kdn h ALA 91 N 1.04 1.27 -0.43 6.23 0.00 -0.92 -1.05 119.26 125.41 1kdn h ALA 91 Ca 0.16 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1kdn h ALA 91 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1kdn h ALA 91 CO 0.03 0.51 -0.24 0.00 0.00 0.00 0.00 179.25 179.55 1kdn h ARG 92 N 0.13 0.93 -0.87 0.00 2.47 -1.21 -1.39 114.38 114.44 1kdn h ARG 92 Ca 0.02 -0.42 -0.02 0.00 -1.26 0.00 0.00 59.98 58.29 1kdn h ARG 92 Cb 0.69 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.95 1kdn h ARG 92 CO 0.05 1.08 0.46 1.25 0.56 0.00 0.00 179.97 183.37 1kdn h LEU 93 N 0.76 1.09 -0.81 3.04 5.85 -0.84 -1.67 115.31 122.73 1kdn h LEU 93 Ca 0.09 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1kdn h LEU 93 Cb 0.82 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1kdn h LEU 93 CO 0.07 0.89 -0.53 0.24 -0.34 0.00 0.00 178.44 178.77 1kdn h MET 94 N 1.22 0.19 -0.27 1.25 2.86 -0.98 -3.20 114.93 115.99 1kdn h MET 94 Ca 0.30 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.71 1kdn h MET 94 Cb 0.05 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1kdn h MET 94 CO -0.05 0.67 -0.33 0.82 1.06 0.00 0.00 176.91 179.09 1kdn h ILE 95 N 0.15 1.31 0.00 -1.22 2.04 -0.89 0.35 117.51 119.25 1kdn h ILE 95 Ca 0.00 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1kdn h ILE 95 Cb 0.98 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1kdn h ILE 95 CO 0.08 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.32 1kdn n GLY 96 N 0.24 0.49 3.75 5.37 0.00 -0.66 -0.58 105.19 113.80 1kdn n GLY 96 Ca -0.04 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 1kdn n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kdn s VAL 97 N 0.00 1.32 0.20 1.61 -7.23 -1.26 -4.70 120.40 110.34 1kdn s VAL 97 Ca 0.00 -1.96 -0.10 0.00 -1.81 0.00 0.00 61.98 58.10 1kdn s VAL 97 Cb 0.00 -2.29 0.13 0.00 0.56 0.00 0.00 36.38 34.79 1kdn s VAL 97 CO 0.00 0.00 1.83 0.74 -0.31 0.00 0.00 175.10 177.36 1kdn h THR 98 N 1.37 1.06 -3.54 5.32 2.02 -1.98 -3.38 112.91 113.79 1kdn h THR 98 Ca -0.44 -0.27 -0.62 0.00 0.77 0.00 0.00 66.41 65.86 1kdn h THR 98 Cb 1.30 0.21 -0.12 0.00 -1.74 0.00 0.00 68.15 67.80 1kdn h THR 98 CO 0.74 0.14 0.28 0.21 0.37 0.00 0.00 175.52 177.27 1kdn s ASN 99 N -5.69 6.50 0.46 4.18 3.04 -1.26 -4.68 114.94 117.50 1kdn s ASN 99 Ca -0.13 0.27 0.13 0.00 0.04 0.00 0.00 52.86 53.18 1kdn s ASN 99 Cb 0.15 -2.37 1.09 0.00 -1.54 0.00 0.00 41.25 38.58 1kdn s ASN 99 CO 0.76 -0.68 2.07 -0.65 -3.04 0.00 0.00 177.10 175.56 1kdn h PRO 100 N 8.47 0.27 0.00 0.43 0.11 -1.83 -1.64 132.00 137.82 1kdn h PRO 100 Ca -0.25 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1kdn h PRO 100 Cb 1.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1kdn h PRO 100 CO 0.88 0.18 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.69 1kdn h LEU 101 N 0.28 0.00 -1.89 2.35 3.38 -1.79 -1.22 115.31 116.42 1kdn h LEU 101 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1kdn h LEU 101 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1kdn h LEU 101 CO -0.03 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1kdn n ALA 102 N -2.27 2.46 -2.18 1.53 0.00 -0.63 -4.92 120.51 114.50 1kdn n ALA 102 Ca -0.02 -0.77 -0.39 0.00 0.00 0.00 0.00 53.44 52.26 1kdn n ALA 102 Cb 0.21 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1kdn n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1kdn s SER 103 N -1.73 7.19 0.38 0.00 0.01 -0.46 -4.85 113.70 114.25 1kdn s SER 103 Ca 0.34 1.41 -0.26 0.00 1.31 0.00 0.00 55.95 58.75 1kdn s SER 103 Cb 0.21 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.93 1kdn s SER 103 CO 0.31 0.23 1.25 0.00 0.41 0.00 0.00 173.24 175.44 1kdn s ALA 104 N -1.02 3.28 0.37 1.44 0.00 -1.26 -4.36 121.76 120.20 1kdn s ALA 104 Ca 0.32 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 53.14 1kdn s ALA 104 Cb -0.21 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1kdn s ALA 104 CO 0.22 -0.67 1.50 -0.35 0.00 0.00 0.00 175.76 176.45 1kdn n PRO 105 N 0.29 2.67 0.00 0.00 -0.04 -1.26 -2.11 135.00 134.54 1kdn n PRO 105 Ca 0.03 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 1kdn n PRO 105 Cb 0.44 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1kdn n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kdn n GLY 106 N 0.64 1.24 3.92 0.55 0.00 -1.26 -4.98 105.19 105.29 1kdn n GLY 106 Ca 0.02 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1kdn n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kdn s SER 107 N -0.38 5.64 0.02 1.61 1.04 -0.90 -4.93 113.70 115.80 1kdn s SER 107 Ca 0.00 0.73 -0.25 0.00 0.48 0.00 0.00 55.95 56.92 1kdn s SER 107 Cb 0.00 -1.75 -0.18 0.00 0.10 0.00 0.00 66.02 64.20 1kdn s SER 107 CO 0.00 -1.03 1.43 0.40 0.98 0.00 0.00 173.24 175.02 1kdn h ILE 108 N -0.15 1.26 -0.12 -1.02 2.04 -0.23 -1.13 117.51 118.15 1kdn h ILE 108 Ca -0.45 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 1kdn h ILE 108 Cb 1.25 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1kdn h ILE 108 CO 0.61 0.20 -0.34 0.03 0.00 0.00 0.00 178.15 178.65 1kdn h ARG 109 N -0.29 0.25 -0.51 2.37 3.08 -1.09 -1.92 114.38 116.28 1kdn h ARG 109 Ca 0.00 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1kdn h ARG 109 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1kdn h ARG 109 CO 0.00 0.57 -0.11 0.78 -1.07 0.00 0.00 179.97 180.14 1kdn h GLY 110 N 1.11 1.02 2.00 0.04 0.00 -1.70 -1.09 103.07 104.45 1kdn h GLY 110 Ca 0.03 -0.80 -0.13 0.00 0.00 0.00 0.00 47.33 46.43 1kdn h GLY 110 CO 0.05 0.74 -0.61 -0.55 0.00 0.00 0.00 176.54 176.17 1kdn h ASP 111 N 0.84 0.00 0.00 0.19 3.32 -0.94 -3.41 116.42 116.42 1kdn h ASP 111 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1kdn h ASP 111 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1kdn h ASP 111 CO 0.04 0.61 -0.36 0.49 -1.72 0.00 0.00 179.24 178.30 1kdn n PHE 112 N -3.28 0.00 -4.37 4.55 3.72 -0.75 -5.07 117.46 112.27 1kdn n PHE 112 Ca 0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.17 1kdn n PHE 112 Cb 0.77 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.22 1kdn n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1kdn s GLY 113 N -1.17 2.03 0.00 1.37 0.00 -0.42 -5.03 107.32 104.10 1kdn s GLY 113 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.78 1kdn s GLY 113 CO 0.00 -1.91 0.00 -0.62 0.00 0.00 0.00 173.10 170.57 1kdn n VAL 114 N -0.90 0.00 -5.29 1.40 0.31 -1.26 -4.29 118.33 108.30 1kdn n VAL 114 Ca -0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.98 1kdn n VAL 114 Cb 0.62 0.05 -0.16 0.00 -0.91 0.00 0.00 33.84 33.44 1kdn n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kdn s ASP 115 N -0.77 3.02 0.33 4.52 2.15 -1.26 -4.50 116.67 120.16 1kdn s ASP 115 Ca 0.00 -0.47 0.02 0.00 0.43 0.00 0.00 52.55 52.54 1kdn s ASP 115 Cb 0.00 -0.37 0.61 0.00 -0.30 0.00 0.00 42.92 42.85 1kdn s ASP 115 CO 0.00 0.31 1.95 0.58 -0.17 0.00 0.00 175.17 177.85 1kdn h VAL 116 N 4.54 1.09 0.00 1.11 2.07 -1.96 -1.31 116.25 121.79 1kdn h VAL 116 Ca -0.42 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1kdn h VAL 116 Cb 1.13 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1kdn h VAL 116 CO 0.47 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.84 1kdn n GLY 117 N -1.42 -1.42 2.46 2.17 0.00 -1.26 -3.77 105.19 101.94 1kdn n GLY 117 Ca 0.11 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1kdn n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kdn n ARG 118 N -2.02 1.90 -1.01 1.61 5.12 -0.50 -4.92 116.66 116.85 1kdn n ARG 118 Ca 0.04 -4.04 -0.04 0.00 -1.93 0.00 0.00 57.85 51.88 1kdn n ARG 118 Cb 0.31 -1.87 0.32 0.00 -1.16 0.00 0.00 32.46 30.05 1kdn n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1kdn n ASN 119 N 0.46 4.93 0.00 0.55 0.23 -1.18 -4.29 115.26 115.96 1kdn n ASN 119 Ca 0.27 -3.20 0.00 0.00 -0.53 0.00 0.00 54.58 51.12 1kdn n ASN 119 Cb 0.50 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1kdn n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1kdn n ILE 120 N -0.08 0.00 -3.82 1.53 5.41 -1.26 -4.81 119.36 116.33 1kdn n ILE 120 Ca 0.39 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 64.03 1kdn n ILE 120 Cb 1.36 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 40.21 1kdn n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1kdn s ILE 121 N 0.00 0.09 -0.02 1.39 2.07 -1.26 -0.81 121.20 122.66 1kdn s ILE 121 Ca 0.00 -0.75 0.08 0.00 -1.41 0.00 0.00 60.65 58.57 1kdn s ILE 121 Cb 0.00 -0.79 -0.02 0.00 0.13 0.00 0.00 42.46 41.78 1kdn s ILE 121 CO 0.00 -0.41 -0.26 -2.28 -1.91 0.00 0.00 174.94 170.08 1kdn s HIS 122 N -2.17 2.29 0.00 3.50 5.65 0.05 -4.91 115.29 119.71 1kdn s HIS 122 Ca -0.08 -0.43 0.01 0.00 0.25 0.00 0.00 55.06 54.80 1kdn s HIS 122 Cb -0.03 -1.47 -0.01 0.00 -1.18 0.00 0.00 32.58 29.90 1kdn s HIS 122 CO -0.01 -0.03 -0.02 0.20 -0.65 0.00 0.00 174.74 174.22 1kdn s GLY 123 N -0.64 0.13 0.39 1.59 0.00 -1.26 -0.63 107.32 106.89 1kdn s GLY 123 Ca 0.10 -0.18 -0.28 0.00 0.00 0.00 0.00 44.72 44.36 1kdn s GLY 123 CO -0.01 -0.18 1.49 -0.56 0.00 0.00 0.00 173.10 173.85 1kdn s SER 124 N -0.32 6.27 0.00 1.64 0.01 -0.78 -4.93 113.70 115.60 1kdn s SER 124 Ca -0.02 3.07 0.27 0.00 1.31 0.00 0.00 55.95 60.57 1kdn s SER 124 Cb -0.02 -2.67 0.81 0.00 0.21 0.00 0.00 66.02 64.34 1kdn s SER 124 CO -0.00 -0.93 1.60 -0.90 0.41 0.00 0.00 173.24 173.42 1kdn n ASP 125 N 0.37 1.49 -3.61 2.44 5.68 -1.26 -4.79 116.55 116.87 1kdn n ASP 125 Ca 0.01 -1.32 -0.06 0.00 -0.50 0.00 0.00 54.79 52.92 1kdn n ASP 125 Cb 0.39 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 1kdn n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1kdn s SER 126 N -2.21 -0.29 0.23 -1.12 1.04 -1.26 -4.95 113.70 105.14 1kdn s SER 126 Ca 0.31 -0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.48 1kdn s SER 126 Cb 0.20 0.45 0.22 0.00 0.10 0.00 0.00 66.02 66.98 1kdn s SER 126 CO 0.41 -0.77 1.91 0.58 0.98 0.00 0.00 173.24 176.35 1kdn h VAL 127 N 2.00 1.23 -0.72 5.02 2.07 -1.92 0.19 116.25 124.12 1kdn h VAL 127 Ca -0.24 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1kdn h VAL 127 Cb 1.24 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1kdn h VAL 127 CO 0.29 0.23 0.36 -0.33 0.02 0.00 0.00 177.57 178.13 1kdn h GLU 128 N 1.22 1.02 -0.52 1.57 5.08 -1.98 -0.74 114.58 120.24 1kdn h GLU 128 Ca 0.33 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1kdn h GLU 128 Cb -0.14 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 1kdn h GLU 128 CO -0.07 0.79 -0.07 0.77 -1.00 0.00 0.00 179.01 179.43 1kdn h SER 129 N 1.00 0.96 -0.24 1.42 0.02 -1.82 -2.25 113.55 112.65 1kdn h SER 129 Ca 0.25 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1kdn h SER 129 Cb 0.10 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1kdn h SER 129 CO -0.03 1.08 0.13 0.00 -1.14 0.00 0.00 176.83 176.86 1kdn h ALA 130 N 0.92 0.29 -0.82 3.77 0.00 -0.00 0.56 119.26 123.98 1kdn h ALA 130 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1kdn h ALA 130 Cb 0.63 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1kdn h ALA 130 CO 0.04 -0.27 0.54 -0.91 0.00 0.00 0.00 179.25 178.65 1kdn h ASN 131 N 0.27 0.92 -0.08 0.00 2.35 -1.07 0.24 115.58 118.20 1kdn h ASN 131 Ca 0.09 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1kdn h ASN 131 Cb 0.01 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 1kdn h ASN 131 CO -0.06 0.65 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.22 1kdn h ARG 132 N 1.07 0.18 -0.29 0.81 2.43 -0.96 -2.68 114.38 114.95 1kdn h ARG 132 Ca 0.31 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.25 1kdn h ARG 132 Cb -0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1kdn h ARG 132 CO -0.08 0.60 -0.37 0.93 -1.51 0.00 0.00 179.97 179.55 1kdn h GLU 133 N -0.23 0.66 -0.75 0.20 5.08 -0.61 -1.75 114.58 117.17 1kdn h GLU 133 Ca 0.01 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1kdn h GLU 133 Cb 0.56 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1kdn h GLU 133 CO 0.02 0.92 0.30 0.82 -1.00 0.00 0.00 179.01 180.07 1kdn h ILE 134 N 0.55 1.26 0.00 3.13 2.04 -0.56 -1.86 117.51 122.07 1kdn h ILE 134 Ca 0.05 -0.81 -0.11 0.00 1.00 0.00 0.00 64.86 65.00 1kdn h ILE 134 Cb 0.88 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1kdn h ILE 134 CO 0.08 0.33 -0.51 0.00 0.00 0.00 0.00 178.15 178.04 1kdn h ALA 135 N 1.15 1.00 -0.03 1.87 0.00 -1.37 -1.26 119.26 120.63 1kdn h ALA 135 Ca 0.25 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 1kdn h ALA 135 Cb 0.22 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1kdn h ALA 135 CO -0.02 0.64 -0.92 1.25 0.00 0.00 0.00 179.25 180.20 1kdn h LEU 136 N 0.00 0.65 0.00 0.00 6.46 -0.86 -3.38 115.31 118.17 1kdn h LEU 136 Ca -0.01 -0.49 -0.13 0.00 -0.12 0.00 0.00 57.88 57.13 1kdn h LEU 136 Cb 1.00 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.70 1kdn h LEU 136 CO 0.07 1.28 -2.12 0.79 -0.62 0.00 0.00 178.44 177.84 1kdn n TRP 137 N -3.80 0.02 -5.15 1.25 7.02 -0.74 -4.97 117.44 111.08 1kdn n TRP 137 Ca -0.07 0.01 -0.30 0.00 -1.02 0.00 0.00 57.50 56.12 1kdn n TRP 137 Cb 0.82 -0.69 -0.16 0.00 -2.42 0.00 0.00 31.31 28.86 1kdn n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1kdn s PHE 138 N -3.14 2.16 0.33 -5.99 0.08 -0.48 -5.10 117.98 105.83 1kdn s PHE 138 Ca -0.09 -0.54 -0.17 0.00 0.12 0.00 0.00 56.93 56.26 1kdn s PHE 138 Cb 0.11 -1.41 -0.09 0.00 -0.57 0.00 0.00 43.02 41.06 1kdn s PHE 138 CO 0.88 -0.13 0.78 0.15 -0.10 0.00 0.00 175.22 176.80 1kdn s LYS 139 N -0.31 4.09 0.29 0.44 1.02 -1.26 -4.53 119.74 119.48 1kdn s LYS 139 Ca 0.02 0.79 0.03 0.00 0.02 0.00 0.00 55.97 56.83 1kdn s LYS 139 Cb -0.11 -2.46 0.75 0.00 -0.52 0.00 0.00 37.83 35.49 1kdn s LYS 139 CO 0.01 0.16 1.64 -1.35 -0.92 0.00 0.00 175.35 174.89 1kdn h PRO 140 N 2.37 0.18 0.00 -1.68 0.11 -1.95 -1.10 132.00 129.93 1kdn h PRO 140 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1kdn h PRO 140 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1kdn h PRO 140 CO 0.65 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 1kdn n GLU 141 N -5.25 0.05 0.00 1.05 0.00 -1.26 -2.62 120.64 112.61 1kdn n GLU 141 Ca 0.22 0.16 0.14 0.00 0.00 0.00 0.00 57.16 57.68 1kdn n GLU 141 Cb 0.72 -1.50 0.50 0.00 0.00 0.00 0.00 31.44 31.16 1kdn n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1kdn n GLU 142 N -1.46 1.39 -4.75 3.44 1.02 -0.42 -4.84 120.64 115.03 1kdn n GLU 142 Ca 0.05 -0.79 -0.33 0.00 -0.02 0.00 0.00 57.16 56.07 1kdn n GLU 142 Cb 0.21 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.02 1kdn n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1kdn s LEU 143 N -2.15 2.90 0.25 -4.62 1.43 -1.08 -4.48 118.68 110.93 1kdn s LEU 143 Ca 0.34 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 1kdn s LEU 143 Cb 0.21 -1.63 -0.10 0.00 0.03 0.00 0.00 46.19 44.70 1kdn s LEU 143 CO 0.39 0.30 1.44 -0.76 0.23 0.00 0.00 176.35 177.94 1kdn s LEU 144 N -0.43 4.39 -0.15 1.79 1.43 -0.06 -4.92 118.68 120.73 1kdn s LEU 144 Ca 0.06 2.66 0.01 0.00 -1.03 0.00 0.00 54.13 55.83 1kdn s LEU 144 Cb -0.12 -3.62 -0.23 0.00 0.03 0.00 0.00 46.19 42.24 1kdn s LEU 144 CO 0.02 -0.70 0.23 0.35 0.23 0.00 0.00 176.35 176.48 1kdn n THR 145 N 2.32 1.64 -3.43 5.49 -2.24 -1.26 -4.78 114.28 112.02 1kdn n THR 145 Ca 0.07 -0.68 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 1kdn n THR 145 Cb 0.40 -1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.13 1kdn n THR 145 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1kdn s GLU 146 N -2.55 3.62 -0.06 -0.78 0.41 -1.26 -5.07 118.70 113.01 1kdn s GLU 146 Ca -0.22 -0.41 0.03 0.00 -0.41 0.00 0.00 54.97 53.97 1kdn s GLU 146 Cb 0.07 -3.78 -0.03 0.00 -1.78 0.00 0.00 34.13 28.62 1kdn s GLU 146 CO 0.74 -0.47 -0.13 0.08 -0.49 0.00 0.00 175.26 174.99 1kdn s VAL 147 N 1.96 3.17 -0.26 2.63 1.01 -1.26 -5.09 120.40 122.55 1kdn s VAL 147 Ca 0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1kdn s VAL 147 Cb -0.17 -2.26 0.08 0.00 0.00 0.00 0.00 36.38 34.04 1kdn s VAL 147 CO 0.11 0.59 0.08 -0.54 0.00 0.00 0.00 175.10 175.33 1kdn s LYS 148 N -0.65 0.62 0.37 2.72 3.01 -1.26 -5.13 119.74 119.42 1kdn s LYS 148 Ca 0.10 -0.72 -0.10 0.00 -1.01 0.00 0.00 55.97 54.24 1kdn s LYS 148 Cb -0.11 -1.91 -0.06 0.00 -1.01 0.00 0.00 37.83 34.73 1kdn s LYS 148 CO 0.01 -0.85 0.72 -1.25 0.51 0.00 0.00 175.35 174.49 1kdn s PRO 149 N 1.79 3.77 0.20 -1.68 0.04 -1.26 -5.01 135.00 132.85 1kdn s PRO 149 Ca 0.05 0.39 -0.31 0.00 0.04 0.00 0.00 61.00 61.17 1kdn s PRO 149 Cb -0.17 -2.45 -0.16 0.00 0.04 0.00 0.00 34.50 31.76 1kdn s PRO 149 CO -0.20 0.04 0.94 -1.71 0.04 0.00 0.00 177.00 176.11 1kdn n ASN 150 N -1.12 0.55 0.00 6.66 2.85 -1.26 -4.81 115.26 118.13 1kdn n ASN 150 Ca 0.02 1.15 0.08 0.00 -0.11 0.00 0.00 54.58 55.72 1kdn n ASN 150 Cb 0.54 -1.14 0.48 0.00 1.24 0.00 0.00 39.78 40.89 1kdn n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1kdn n PRO 151 N 1.24 0.45 -0.26 1.20 -0.04 -1.26 -2.53 135.00 133.80 1kdn n PRO 151 Ca 0.15 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 1kdn n PRO 151 Cb 0.25 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.46 1kdn n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kdn n ASN 152 N -1.07 3.54 -0.01 3.54 3.02 -1.26 -4.46 115.26 118.56 1kdn n ASN 152 Ca 0.11 -1.97 -0.14 0.00 -0.03 0.00 0.00 54.58 52.55 1kdn n ASN 152 Cb 0.08 -0.34 -0.14 0.00 -0.61 0.00 0.00 39.78 38.77 1kdn n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1kdn n LEU 153 N 1.39 1.57 -4.32 3.41 4.77 -1.05 -4.97 117.00 117.80 1kdn n LEU 153 Ca 0.20 0.33 -0.29 0.00 -0.03 0.00 0.00 56.01 56.22 1kdn n LEU 153 Cb 0.58 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.18 1kdn n LEU 153 CO 0.15 0.57 -0.56 -0.31 -1.33 0.00 0.00 177.39 175.91 1kdn s TYR 154 N -2.58 2.19 -2.00 -1.77 2.02 -1.26 -5.13 117.35 108.81 1kdn s TYR 154 Ca -0.12 -0.40 0.30 0.00 -0.37 0.00 0.00 57.07 56.48 1kdn s TYR 154 Cb 0.07 -1.31 1.79 0.00 -0.40 0.00 0.00 41.96 42.11 1kdn s TYR 154 CO 0.80 0.12 2.12 -1.91 -1.57 0.00 0.00 175.55 175.11