#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dca s GLY 3 N 0.00 0.03 -0.35 3.38 0.00 -1.26 -5.05 107.32 104.07 3dca s GLY 3 Ca 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 44.72 45.05 3dca s GLY 3 CO 0.00 0.71 0.15 0.30 0.00 0.00 0.00 173.10 174.25 3dca s HIS 4 N 0.93 3.24 -0.18 1.90 3.76 -1.26 -4.93 115.29 118.75 3dca s HIS 4 Ca -0.08 -1.15 -0.02 0.00 -0.15 0.00 0.00 55.06 53.67 3dca s HIS 4 Cb -0.10 -2.35 -0.11 0.00 1.11 0.00 0.00 32.58 31.13 3dca s HIS 4 CO -0.04 -0.67 -0.18 -0.89 -0.85 0.00 0.00 174.74 172.11 3dca n ILE 5 N 4.90 1.03 -4.17 0.60 5.41 -1.26 -0.84 119.36 125.03 3dca n ILE 5 Ca -0.12 -0.35 -0.13 0.00 1.00 0.00 0.00 62.75 63.14 3dca n ILE 5 Cb 0.46 -1.32 -0.10 0.00 -0.71 0.00 0.00 39.64 37.96 3dca n ILE 5 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3dca s ASP 6 N -6.03 1.35 0.81 4.38 1.01 -1.26 -4.88 116.67 112.05 3dca s ASP 6 Ca -0.25 -0.87 -0.12 0.00 0.71 0.00 0.00 52.55 52.02 3dca s ASP 6 Cb 0.07 0.03 0.08 0.00 1.01 0.00 0.00 42.92 44.12 3dca s ASP 6 CO 0.39 -0.33 1.12 -2.16 0.21 0.00 0.00 175.17 174.40 3dca s PRO 7 N -3.13 1.97 0.26 8.23 0.04 -1.26 -5.05 135.00 136.07 3dca s PRO 7 Ca 0.07 0.44 -0.19 0.00 0.04 0.00 0.00 61.00 61.36 3dca s PRO 7 Cb -0.00 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3dca s PRO 7 CO -0.01 -1.65 0.76 0.99 0.04 0.00 0.00 177.00 177.12 3dca s THR 8 N -3.29 4.55 0.26 1.26 2.01 -1.26 -4.97 115.64 114.20 3dca s THR 8 Ca 0.61 1.27 -0.08 0.00 0.31 0.00 0.00 61.69 63.81 3dca s THR 8 Cb -0.13 -3.81 0.36 0.00 0.01 0.00 0.00 72.50 68.92 3dca s THR 8 CO 0.53 0.10 1.59 0.07 -0.69 0.00 0.00 174.62 176.22 3dca h LYS 9 N 3.10 0.02 -0.24 4.92 -0.00 -1.99 -0.72 116.57 121.66 3dca h LYS 9 Ca -0.48 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.13 3dca h LYS 9 Cb 1.19 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.41 3dca h LYS 9 CO 0.65 0.01 -0.02 0.93 -0.00 0.00 0.00 179.45 181.02 3dca h GLU 10 N 0.02 0.44 0.00 0.07 3.07 -2.01 -3.06 114.58 113.11 3dca h GLU 10 Ca 0.43 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.36 59.04 3dca h GLU 10 Cb 0.72 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3dca h GLU 10 CO -0.85 0.63 -0.48 0.28 -1.40 0.00 0.00 179.01 177.20 3dca h VAL 11 N 0.20 0.99 0.00 3.13 2.07 -1.86 -2.87 116.25 117.91 3dca h VAL 11 Ca 0.07 -1.89 -0.05 0.00 0.82 0.00 0.00 66.70 65.65 3dca h VAL 11 Cb 0.45 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3dca h VAL 11 CO 0.02 0.47 -0.23 0.15 0.02 0.00 0.00 177.57 178.00 3dca h PHE 12 N 0.00 0.00 -0.11 1.57 3.57 -1.05 -2.33 116.94 118.59 3dca h PHE 12 Ca -0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 3dca h PHE 12 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3dca h PHE 12 CO 0.00 0.23 -0.30 0.00 -2.23 0.00 0.00 178.31 176.00 3dca h ALA 13 N 1.77 0.19 -0.90 2.41 0.00 -1.43 -2.21 119.26 119.09 3dca h ALA 13 Ca -0.00 -0.42 0.22 0.00 0.00 0.00 0.00 54.91 54.71 3dca h ALA 13 Cb 0.87 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3dca h ALA 13 CO 0.03 0.22 0.61 1.96 0.00 0.00 0.00 179.25 182.07 3dca h GLN 14 N -0.02 0.29 0.36 0.00 4.20 -1.41 0.89 115.11 119.42 3dca h GLN 14 Ca -0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3dca h GLN 14 Cb 0.92 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3dca h GLN 14 CO 0.07 0.19 -0.17 0.35 -0.67 0.00 0.00 178.83 178.59 3dca h PHE 15 N 0.30 -0.45 -0.22 2.96 3.57 -1.18 -3.05 116.94 118.87 3dca h PHE 15 Ca 0.46 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.90 3dca h PHE 15 Cb 1.33 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 3dca h PHE 15 CO -0.00 -0.13 -0.10 0.00 -2.23 0.00 0.00 178.31 175.85 3dca h ARG 16 N -0.81 0.35 -0.82 1.11 3.08 -0.45 -2.54 114.38 114.29 3dca h ARG 16 Ca -0.05 -0.08 0.18 0.00 0.07 0.00 0.00 59.98 60.10 3dca h ARG 16 Cb 0.53 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 3dca h ARG 16 CO 0.08 0.46 0.55 0.00 -1.07 0.00 0.00 179.97 179.99 3dca h ALA 17 N 1.57 2.24 0.00 0.04 0.00 0.76 -3.31 119.26 120.56 3dca h ALA 17 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3dca h ALA 17 Cb 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dca h ALA 17 CO 0.02 -0.48 -0.21 -0.97 0.00 0.00 0.00 179.25 177.61 3dca h ASN 18 N 0.35 0.00 -5.06 0.00 -0.73 -1.34 -3.47 115.58 105.33 3dca h ASN 18 Ca 0.41 -0.55 -0.26 0.00 1.87 0.00 0.00 56.30 57.77 3dca h ASN 18 Cb 1.07 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.50 3dca h ASN 18 CO -0.13 0.90 -0.37 -0.90 -0.37 0.00 0.00 177.43 176.56 3dca n ASP 19 N -4.64 -1.04 -4.53 1.15 5.75 -1.25 -4.92 116.55 107.08 3dca n ASP 19 Ca -0.10 -0.36 -0.38 0.00 -0.01 0.00 0.00 54.79 53.94 3dca n ASP 19 Cb 0.35 -0.95 0.04 0.00 -1.03 0.00 0.00 41.12 39.53 3dca n ASP 19 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3dca n ARG 20 N -2.48 0.67 -2.70 0.11 -4.01 -1.26 -4.89 116.66 102.10 3dca n ARG 20 Ca 0.05 0.26 -0.43 0.00 -1.04 0.00 0.00 57.85 56.69 3dca n ARG 20 Cb 0.33 -1.88 -0.02 0.00 -3.04 0.00 0.00 32.46 27.85 3dca n ARG 20 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 3dca s GLU 21 N -2.34 4.18 -0.01 2.89 2.12 -1.26 -4.71 118.70 119.58 3dca s GLU 21 Ca 0.71 1.19 -0.09 0.00 0.36 0.00 0.00 54.97 57.15 3dca s GLU 21 Cb -0.44 -3.67 0.03 0.00 0.26 0.00 0.00 34.13 30.31 3dca s GLU 21 CO 0.51 -0.70 0.39 0.41 -0.54 0.00 0.00 175.26 175.34 3dca n GLY 22 N 3.57 0.49 4.01 -1.50 0.00 -1.26 -5.14 105.19 105.36 3dca n GLY 22 Ca 0.11 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 3dca n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dca s PRO 23 N -2.00 2.21 0.06 1.61 0.04 -1.26 -4.05 135.00 131.61 3dca s PRO 23 Ca 0.09 -1.32 0.03 0.00 0.04 0.00 0.00 61.00 59.84 3dca s PRO 23 Cb -0.00 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 3dca s PRO 23 CO -0.00 -0.94 -0.09 0.96 0.04 0.00 0.00 177.00 176.97 3dca s ILE 24 N -2.78 0.68 0.10 0.56 -4.36 0.16 -4.65 121.20 110.91 3dca s ILE 24 Ca 0.62 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.76 3dca s ILE 24 Cb -0.07 -0.85 -0.00 0.00 1.25 0.00 0.00 42.46 42.79 3dca s ILE 24 CO 0.40 -0.42 0.00 1.41 0.24 0.00 0.00 174.94 176.57 3dca n HIS 25 N 1.21 0.22 -3.58 1.37 8.25 -0.38 -1.45 115.22 120.86 3dca n HIS 25 Ca -0.21 -0.49 -0.01 0.00 -0.26 0.00 0.00 57.72 56.75 3dca n HIS 25 Cb 0.55 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 3dca n HIS 25 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3dca s LEU 27 N 0.00 -0.93 -0.23 2.41 2.96 -0.25 -0.16 118.68 122.48 3dca s LEU 27 Ca 0.00 1.30 -0.01 0.00 -0.22 0.00 0.00 54.13 55.20 3dca s LEU 27 Cb 0.00 2.10 0.02 0.00 0.50 0.00 0.00 46.19 48.81 3dca s LEU 27 CO 0.00 -0.19 -0.09 0.20 -1.32 0.00 0.00 176.35 174.96 3dca s ASN 28 N 2.55 4.03 -0.32 3.68 0.01 0.09 -0.48 114.94 124.51 3dca s ASN 28 Ca -0.06 -0.71 0.04 0.00 -0.71 0.00 0.00 52.86 51.42 3dca s ASN 28 Cb -0.09 -1.64 0.09 0.00 0.41 0.00 0.00 41.25 40.02 3dca s ASN 28 CO -0.18 -0.07 0.01 -0.76 -1.51 0.00 0.00 177.10 174.59 3dca s LEU 29 N 1.35 4.45 -0.12 0.60 1.43 0.20 -2.36 118.68 124.22 3dca s LEU 29 Ca 0.03 -1.96 -0.02 0.00 -1.03 0.00 0.00 54.13 51.14 3dca s LEU 29 Cb -0.15 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3dca s LEU 29 CO -0.06 -0.34 -0.06 -0.69 0.23 0.00 0.00 176.35 175.44 3dca s VAL 30 N 0.96 3.74 -0.33 -1.59 1.01 -0.40 0.28 120.40 124.07 3dca s VAL 30 Ca 0.06 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3dca s VAL 30 Cb -0.19 -2.60 0.09 0.00 0.00 0.00 0.00 36.38 33.68 3dca s VAL 30 CO -0.07 0.53 0.03 -0.60 0.00 0.00 0.00 175.10 174.99 3dca s ARG 31 N -0.02 1.80 0.47 2.72 3.52 0.55 -0.45 118.95 127.54 3dca s ARG 31 Ca 0.00 -1.70 -0.22 0.00 -0.13 0.00 0.00 55.73 53.68 3dca s ARG 31 Cb -0.13 -3.19 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 3dca s ARG 31 CO 0.03 -0.85 1.09 -0.48 -0.81 0.00 0.00 175.30 174.28 3dca s LEU 32 N 1.01 3.94 0.54 -0.88 0.05 -1.26 -1.33 118.68 120.75 3dca s LEU 32 Ca 0.05 2.10 -0.06 0.00 0.05 0.00 0.00 54.13 56.28 3dca s LEU 32 Cb -0.20 -4.39 -0.01 0.00 -2.05 0.00 0.00 46.19 39.54 3dca s LEU 32 CO -0.06 -0.84 0.85 0.00 -0.55 0.00 0.00 176.35 175.75 3dca s ARG 33 N -2.93 3.21 0.02 1.48 1.70 -0.10 -4.51 118.95 117.82 3dca s ARG 33 Ca 0.65 0.09 -0.06 0.00 -0.47 0.00 0.00 55.73 55.94 3dca s ARG 33 Cb -0.22 -2.32 -0.29 0.00 -0.57 0.00 0.00 34.95 31.54 3dca s ARG 33 CO 0.27 -0.47 0.93 -1.35 -1.08 0.00 0.00 175.30 173.60 3dca h PRO 34 N 0.01 0.31 -4.78 3.89 0.11 -1.96 -3.24 132.00 126.34 3dca h PRO 34 Ca -0.46 -0.54 -0.68 0.00 0.11 0.00 0.00 66.00 64.43 3dca h PRO 34 Cb 1.23 0.20 -0.27 0.00 0.11 0.00 0.00 31.00 32.27 3dca h PRO 34 CO 0.61 1.21 -0.62 1.03 -0.21 0.00 0.00 178.00 180.02 3dca s ARG 35 N -2.62 2.98 0.77 1.05 3.00 -1.26 -2.49 118.95 120.38 3dca s ARG 35 Ca -0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 55.73 54.57 3dca s ARG 35 Cb 0.06 -3.37 0.05 0.00 0.00 0.00 0.00 34.95 31.69 3dca s ARG 35 CO 0.87 -0.49 1.11 0.00 0.00 0.00 0.00 175.30 176.80 3dca n ALA 36 N 4.85 -0.06 -2.16 2.13 0.00 -1.02 -4.78 120.51 119.47 3dca n ALA 36 Ca -0.14 -0.26 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 3dca n ALA 36 Cb 0.47 -2.20 0.02 0.00 0.00 0.00 0.00 19.45 17.74 3dca n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dca n ALA 37 N -2.91 5.30 -1.76 0.00 0.00 -0.19 -4.80 120.51 116.14 3dca n ALA 37 Ca 0.13 -4.04 -0.39 0.00 0.00 0.00 0.00 53.44 49.14 3dca n ALA 37 Cb 0.50 -0.70 0.03 0.00 0.00 0.00 0.00 19.45 19.28 3dca n ALA 37 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dca s TYR 38 N -3.64 2.35 1.04 0.00 1.51 -1.26 -4.80 117.35 112.55 3dca s TYR 38 Ca 0.51 1.29 -0.17 0.00 -1.01 0.00 0.00 57.07 57.69 3dca s TYR 38 Cb 0.42 -3.90 0.26 0.00 -0.11 0.00 0.00 41.96 38.63 3dca s TYR 38 CO -0.11 -3.01 0.80 -2.30 -1.11 0.00 0.00 175.55 169.81 3dca n PRO 39 N -0.57 -3.29 0.00 -1.71 -0.01 -1.26 -4.95 135.00 123.21 3dca n PRO 39 Ca 0.07 -1.30 0.00 0.00 -0.01 0.00 0.00 63.50 62.27 3dca n PRO 39 Cb 0.43 -1.37 0.00 0.00 -0.01 0.00 0.00 33.50 32.55 3dca n PRO 39 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 3dca n ASP 40 N -4.76 0.00 0.00 2.55 8.00 -1.26 -5.16 116.55 115.92 3dca n ASP 40 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3dca n ASP 40 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 3dca n ASP 40 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3dca n GLU 43 N 0.00 0.00 -1.98 -1.24 0.28 -1.26 -5.17 120.64 111.27 3dca n GLU 43 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 3dca n GLU 43 Cb 0.00 0.00 0.09 0.00 1.43 0.00 0.00 31.44 32.96 3dca n GLU 43 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 3dca s THR 44 N 0.00 2.07 0.58 3.84 -1.32 -1.26 -4.98 115.64 114.57 3dca s THR 44 Ca 0.00 -0.07 -0.02 0.00 -1.21 0.00 0.00 61.69 60.38 3dca s THR 44 Cb 0.00 -3.00 0.03 0.00 -1.51 0.00 0.00 72.50 68.02 3dca s THR 44 CO 0.00 0.00 0.84 0.42 -2.21 0.00 0.00 174.62 173.67 3dca s THR 45 N -3.52 3.03 0.06 5.08 -4.23 -1.26 -2.42 115.64 112.37 3dca s THR 45 Ca 0.62 -0.39 -0.22 0.00 -1.18 0.00 0.00 61.69 60.52 3dca s THR 45 Cb -0.10 -3.19 -0.14 0.00 1.34 0.00 0.00 72.50 70.41 3dca s THR 45 CO 0.48 -0.16 1.54 1.23 -0.54 0.00 0.00 174.62 177.17 3dca h GLY 46 N -0.09 0.17 2.00 3.99 0.00 -1.51 -2.11 103.07 105.51 3dca h GLY 46 Ca -0.44 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 3dca h GLY 46 CO 0.57 0.10 -0.31 0.00 0.00 0.00 0.00 176.54 176.89 3dca h ALA 47 N 0.81 1.47 -0.19 3.60 0.00 -1.87 0.84 119.26 123.92 3dca h ALA 47 Ca 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3dca h ALA 47 Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dca h ALA 47 CO 0.00 0.39 -0.09 1.05 0.00 0.00 0.00 179.25 180.61 3dca h GLU 48 N 0.00 0.39 -0.89 0.00 -0.00 -1.94 -2.11 114.58 110.03 3dca h GLU 48 Ca -0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 3dca h GLU 48 Cb 0.56 -0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 29.26 3dca h GLU 48 CO 0.04 0.69 0.56 0.00 -0.00 0.00 0.00 179.01 180.30 3dca h ALA 49 N 0.69 1.31 -0.07 1.06 0.00 -0.51 -1.46 119.26 120.29 3dca h ALA 49 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3dca h ALA 49 Cb 0.57 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dca h ALA 49 CO 0.03 0.61 -0.01 -0.92 0.00 0.00 0.00 179.25 178.95 3dca h TYR 50 N 1.22 0.14 -0.56 0.00 5.03 -0.89 -3.02 116.97 118.89 3dca h TYR 50 Ca 0.32 -0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.74 3dca h TYR 50 Cb -0.09 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.12 3dca h TYR 50 CO 0.00 0.45 0.39 0.00 -1.32 0.00 0.00 178.16 177.68 3dca h ALA 51 N 0.68 2.31 0.13 1.82 0.00 -0.86 -1.11 119.26 122.23 3dca h ALA 51 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dca h ALA 51 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3dca h ALA 51 CO 0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 179.25 178.64 3dca h ALA 52 N 1.72 -0.83 -0.96 0.00 0.00 -1.16 -0.83 119.26 117.20 3dca h ALA 52 Ca 0.27 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.31 3dca h ALA 52 Cb 0.84 0.44 -0.18 0.00 0.00 0.00 0.00 17.79 18.90 3dca h ALA 52 CO -0.04 -0.85 -0.26 0.98 0.00 0.00 0.00 179.25 179.08 3dca n TYR 53 N -3.28 0.31 0.04 0.00 9.36 -0.52 -0.88 117.16 122.18 3dca n TYR 53 Ca -0.03 1.17 -0.10 0.00 3.32 0.00 0.00 57.90 62.25 3dca n TYR 53 Cb 0.14 -1.03 -0.04 0.00 -0.63 0.00 0.00 39.34 37.77 3dca n TYR 53 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3dca h GLY 54 N 0.00 -0.16 1.02 2.98 0.00 -1.13 0.92 103.07 106.70 3dca h GLY 54 Ca 0.45 0.18 0.07 0.00 0.00 0.00 0.00 47.33 48.03 3dca h GLY 54 CO -0.98 -0.15 0.48 3.21 0.00 0.00 0.00 176.54 179.09 3dca h ARG 55 N -0.23 0.72 0.18 4.80 3.08 0.49 -2.47 114.38 120.95 3dca h ARG 55 Ca 0.06 -0.04 -0.35 0.00 0.07 0.00 0.00 59.98 59.72 3dca h ARG 55 Cb 0.32 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.21 3dca h ARG 55 CO -0.18 0.48 -1.76 -0.44 -1.07 0.00 0.00 179.97 177.00 3dca h ASP 56 N 0.74 0.59 -0.25 7.04 3.32 -0.68 -3.39 116.42 123.79 3dca h ASP 56 Ca 0.32 -0.94 -0.12 0.00 0.02 0.00 0.00 57.03 56.31 3dca h ASP 56 Cb 0.29 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3dca h ASP 56 CO -0.11 1.79 -0.27 0.77 -1.72 0.00 0.00 179.24 179.70 3dca h SER 57 N 0.08 0.77 -0.15 6.45 4.64 0.97 -3.37 113.55 122.93 3dca h SER 57 Ca -0.35 -0.29 0.02 0.00 -0.47 0.00 0.00 61.79 60.69 3dca h SER 57 Cb 2.07 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.92 3dca h SER 57 CO 0.16 1.00 -0.22 1.23 -0.87 0.00 0.00 176.83 178.13 3dca h GLY 58 N 0.96 -1.57 -1.00 -0.77 0.00 -1.64 -1.57 103.07 97.49 3dca h GLY 58 Ca 0.08 0.78 0.21 0.00 0.00 0.00 0.00 47.33 48.41 3dca h GLY 58 CO 0.06 -0.50 -0.19 -2.55 0.00 0.00 0.00 176.54 173.36 3dca h PRO 59 N -0.16 0.00 0.90 4.80 0.11 -1.81 0.69 132.00 136.54 3dca h PRO 59 Ca 0.03 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 3dca h PRO 59 Cb 0.23 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.35 3dca h PRO 59 CO -0.23 0.00 -0.43 0.28 -0.21 0.00 0.00 178.00 177.41 3dca h VAL 60 N 0.00 0.00 -0.87 3.15 2.07 -1.65 -2.59 116.25 116.36 3dca h VAL 60 Ca 0.50 -0.08 0.16 0.00 0.82 0.00 0.00 66.70 68.10 3dca h VAL 60 Cb 0.83 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 3dca h VAL 60 CO -1.01 0.00 0.45 0.15 0.02 0.00 0.00 177.57 177.18 3dca h PHE 61 N -1.29 0.79 -0.59 1.57 3.04 0.35 -0.02 116.94 120.78 3dca h PHE 61 Ca -0.12 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.92 3dca h PHE 61 Cb 0.93 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 39.17 3dca h PHE 61 CO 0.01 0.17 0.31 0.93 -2.02 0.00 0.00 178.31 177.71 3dca h GLU 62 N 0.62 0.57 -0.52 1.11 5.08 0.22 0.15 114.58 121.81 3dca h GLU 62 Ca 0.48 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.74 3dca h GLU 62 Cb 0.70 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3dca h GLU 62 CO -0.38 0.38 0.05 -0.09 -1.00 0.00 0.00 179.01 177.97 3dca h ARG 63 N 0.58 0.88 -0.03 2.33 2.43 -0.62 -2.55 114.38 117.41 3dca h ARG 63 Ca 0.27 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3dca h ARG 63 Cb 0.18 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3dca h ARG 63 CO -0.18 0.88 0.00 1.28 -1.51 0.00 0.00 179.97 180.44 3dca n LEU 64 N -4.35 0.92 0.00 3.80 4.77 -0.74 -4.94 117.00 116.45 3dca n LEU 64 Ca 0.01 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3dca n LEU 64 Cb 0.29 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3dca n LEU 64 CO 0.42 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3dca n GLY 65 N 1.08 0.77 3.78 -0.72 0.00 -0.59 -4.79 105.19 104.72 3dca n GLY 65 Ca 0.20 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3dca n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dca s GLY 66 N -2.28 2.64 -0.13 -0.02 0.00 0.43 -4.35 107.32 103.60 3dca s GLY 66 Ca 0.00 0.81 -0.12 0.00 0.00 0.00 0.00 44.72 45.41 3dca s GLY 66 CO 0.00 1.17 0.34 -1.59 0.00 0.00 0.00 173.10 173.03 3dca s LYS 67 N -3.18 0.40 -0.50 2.90 -2.85 -0.40 -4.30 119.74 111.80 3dca s LYS 67 Ca 0.70 0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 55.90 3dca s LYS 67 Cb -0.23 0.18 0.03 0.00 -2.06 0.00 0.00 37.83 35.75 3dca s LYS 67 CO 0.27 -0.05 1.01 0.08 0.10 0.00 0.00 175.35 176.75 3dca s VAL 68 N 0.25 4.34 -0.11 1.79 1.01 -1.26 0.21 120.40 126.63 3dca s VAL 68 Ca -0.01 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 62.44 3dca s VAL 68 Cb -0.03 -4.53 -0.24 0.00 0.00 0.00 0.00 36.38 31.58 3dca s VAL 68 CO -0.00 -1.01 0.91 0.58 0.00 0.00 0.00 175.10 175.58 3dca h VAL 69 N 6.11 1.68 -4.05 2.92 2.07 -1.41 -3.48 116.25 120.09 3dca h VAL 69 Ca -0.24 -2.01 -0.17 0.00 0.82 0.00 0.00 66.70 65.09 3dca h VAL 69 Cb 1.07 3.05 -0.17 0.00 -1.52 0.00 0.00 31.29 33.72 3dca h VAL 69 CO 1.08 0.52 -0.69 0.86 0.02 0.00 0.00 177.57 179.36 3dca s TRP 70 N -2.79 0.60 -0.29 1.57 -0.00 -1.18 -5.01 118.94 111.84 3dca s TRP 70 Ca -0.18 -0.88 -0.16 0.00 -0.00 0.00 0.00 56.10 54.89 3dca s TRP 70 Cb -0.02 -0.39 0.14 0.00 -0.00 0.00 0.00 33.47 33.20 3dca s TRP 70 CO 0.68 -0.25 0.96 -1.14 -0.00 0.00 0.00 176.95 177.20 3dca s GLN 71 N -3.23 0.39 0.36 5.86 0.74 -1.26 -1.20 119.66 121.31 3dca s GLN 71 Ca 0.03 0.71 0.04 0.00 0.05 0.00 0.00 55.36 56.19 3dca s GLN 71 Cb 0.02 0.14 -0.06 0.00 1.10 0.00 0.00 33.01 34.22 3dca s GLN 71 CO -0.06 -0.09 0.06 0.20 -0.55 0.00 0.00 175.29 174.85 3dca s GLY 72 N 1.53 2.26 -0.19 2.59 0.00 -0.96 -5.02 107.32 107.52 3dca s GLY 72 Ca -0.08 -1.90 -0.05 0.00 0.00 0.00 0.00 44.72 42.68 3dca s GLY 72 CO -0.16 -1.88 0.01 1.62 0.00 0.00 0.00 173.10 172.70 3dca s GLN 73 N -3.84 3.70 0.12 2.90 0.74 -1.26 -3.95 119.66 118.08 3dca s GLN 73 Ca 0.33 -0.48 -0.31 0.00 0.05 0.00 0.00 55.36 54.95 3dca s GLN 73 Cb 0.08 -3.10 -0.10 0.00 1.10 0.00 0.00 33.01 30.98 3dca s GLN 73 CO 0.15 0.08 1.85 0.12 -0.55 0.00 0.00 175.29 176.94 3dca s PHE 74 N 0.83 2.10 -0.07 1.67 5.36 -1.26 -4.87 117.98 121.74 3dca s PHE 74 Ca 0.01 -0.06 -0.04 0.00 -0.96 0.00 0.00 56.93 55.88 3dca s PHE 74 Cb -0.14 -4.19 -0.03 0.00 -0.34 0.00 0.00 43.02 38.31 3dca s PHE 74 CO 0.02 -4.95 -0.11 0.39 -1.46 0.00 0.00 175.22 169.11 3dca n GLU 75 N 5.75 0.18 0.00 10.12 1.02 -1.26 -5.07 120.64 131.38 3dca n GLU 75 Ca 0.18 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3dca n GLU 75 Cb 0.38 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 3dca n GLU 75 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3dca n LEU 76 N -3.45 0.00 0.00 -4.62 7.94 -1.26 -5.18 117.00 110.43 3dca n LEU 76 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 3dca n LEU 76 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3dca n LEU 76 CO 0.02 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.19 3dca n LEU 78 N 0.00 0.00 -4.13 -1.96 7.94 -1.26 -5.12 117.00 112.47 3dca n LEU 78 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 3dca n LEU 78 Cb 0.00 0.10 -0.17 0.00 0.53 0.00 0.00 43.42 43.88 3dca n LEU 78 CO 0.00 -0.10 -0.52 -0.63 -1.11 0.00 0.00 177.39 175.03 3dca s ILE 79 N -1.28 1.70 0.00 1.96 1.01 -1.26 -5.07 121.20 118.25 3dca s ILE 79 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3dca s ILE 79 Cb 0.00 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.97 3dca s ILE 79 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3dca n GLY 80 N 3.77 2.45 3.71 6.18 0.00 -1.26 -5.09 105.19 114.95 3dca n GLY 80 Ca -0.20 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 3dca n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dca s PRO 81 N -1.70 4.44 0.45 1.61 0.04 -1.26 -4.93 135.00 133.64 3dca s PRO 81 Ca 0.00 1.73 0.13 0.00 0.04 0.00 0.00 61.00 62.91 3dca s PRO 81 Cb 0.00 -3.37 1.05 0.00 0.04 0.00 0.00 34.50 32.22 3dca s PRO 81 CO 0.00 -0.25 2.03 -0.56 0.04 0.00 0.00 177.00 178.25 3dca h GLN 82 N 6.84 0.34 -0.60 4.56 -0.00 -2.01 -2.10 115.11 122.16 3dca h GLN 82 Ca -0.41 -0.02 0.11 0.00 -0.00 0.00 0.00 58.65 58.33 3dca h GLN 82 Cb 1.21 -0.08 -0.12 0.00 -0.00 0.00 0.00 27.48 28.50 3dca h GLN 82 CO 0.81 0.23 -0.30 0.38 -0.00 0.00 0.00 178.83 179.95 3dca h ASP 83 N 0.35 -1.03 -2.64 0.06 2.03 -2.06 -3.41 116.42 109.72 3dca h ASP 83 Ca 0.20 0.22 -0.54 0.00 -0.73 0.00 0.00 57.03 56.18 3dca h ASP 83 Cb 0.36 0.53 0.06 0.00 -0.83 0.00 0.00 39.33 39.45 3dca h ASP 83 CO -0.05 -0.29 0.91 -0.62 -1.03 0.00 0.00 179.24 178.16 3dca n GLU 84 N -5.44 2.54 -3.62 4.15 1.02 -0.79 -4.99 120.64 113.51 3dca n GLU 84 Ca 0.05 0.91 -0.02 0.00 -0.02 0.00 0.00 57.16 58.08 3dca n GLU 84 Cb 0.35 -2.72 -0.05 0.00 -0.02 0.00 0.00 31.44 29.01 3dca n GLU 84 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 3dca s HIS 85 N 0.84 -1.14 -0.10 -0.32 -3.43 -1.26 -4.93 115.29 104.94 3dca s HIS 85 Ca 0.74 2.06 -0.05 0.00 -0.80 0.00 0.00 55.06 57.02 3dca s HIS 85 Cb -0.56 0.68 -0.04 0.00 -1.43 0.00 0.00 32.58 31.23 3dca s HIS 85 CO 0.37 -0.57 0.09 -1.58 -2.00 0.00 0.00 174.74 171.05 3dca s TRP 86 N 2.41 3.42 -0.19 0.38 0.52 -1.26 -4.78 118.94 119.44 3dca s TRP 86 Ca -0.07 0.39 0.21 0.00 0.02 0.00 0.00 56.10 56.66 3dca s TRP 86 Cb -0.09 -1.88 -0.06 0.00 -1.15 0.00 0.00 33.47 30.29 3dca s TRP 86 CO -0.19 0.63 0.94 -0.25 0.02 0.00 0.00 176.95 178.10 3dca n ASP 87 N 2.02 0.77 -3.77 2.95 8.00 0.40 -4.60 116.55 122.31 3dca n ASP 87 Ca -0.19 0.31 -0.14 0.00 0.71 0.00 0.00 54.79 55.48 3dca n ASP 87 Cb 0.54 0.52 -0.15 0.00 -0.02 0.00 0.00 41.12 42.01 3dca n ASP 87 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3dca s HIS 88 N -3.27 -0.08 -0.08 1.24 3.76 -0.27 -4.84 115.29 111.75 3dca s HIS 88 Ca -0.02 0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 55.20 3dca s HIS 88 Cb 0.10 -0.12 0.02 0.00 1.11 0.00 0.00 32.58 33.70 3dca s HIS 88 CO 0.81 -0.12 -0.05 0.08 -0.85 0.00 0.00 174.74 174.61 3dca s VAL 89 N 0.93 0.70 0.08 -0.90 1.01 -1.25 -1.27 120.40 119.69 3dca s VAL 89 Ca -0.07 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 3dca s VAL 89 Cb -0.10 -0.76 0.08 0.00 0.00 0.00 0.00 36.38 35.61 3dca s VAL 89 CO -0.04 0.30 0.72 0.72 0.00 0.00 0.00 175.10 176.80 3dca s PHE 90 N 1.48 -0.47 -0.20 5.22 -0.71 -1.00 -2.27 117.98 120.04 3dca s PHE 90 Ca -0.01 0.34 0.01 0.00 -1.04 0.00 0.00 56.93 56.23 3dca s PHE 90 Cb -0.13 0.54 0.03 0.00 -1.21 0.00 0.00 43.02 42.25 3dca s PHE 90 CO -0.04 -0.71 -0.18 0.42 -1.34 0.00 0.00 175.22 173.38 3dca s ILE 91 N -3.30 2.09 -0.05 -4.49 1.01 -0.34 -0.73 121.20 115.39 3dca s ILE 91 Ca 0.02 -1.10 -0.08 0.00 0.00 0.00 0.00 60.65 59.49 3dca s ILE 91 Cb -0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3dca s ILE 91 CO -0.10 0.41 0.22 0.00 0.00 0.00 0.00 174.94 175.47 3dca s ALA 92 N 1.25 3.85 -0.10 9.38 0.00 -1.26 -1.00 121.76 133.89 3dca s ALA 92 Ca 0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 3dca s ALA 92 Cb -0.15 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 3dca s ALA 92 CO -0.11 0.62 -0.08 -2.00 0.00 0.00 0.00 175.76 174.19 3dca s GLU 93 N -1.34 3.05 0.05 0.00 2.56 0.13 -4.27 118.70 118.89 3dca s GLU 93 Ca 0.21 -0.58 0.07 0.00 0.00 0.00 0.00 54.97 54.68 3dca s GLU 93 Cb -0.13 -2.65 -0.03 0.00 2.00 0.00 0.00 34.13 33.32 3dca s GLU 93 CO 0.10 0.48 -0.21 0.71 -0.56 0.00 0.00 175.26 175.79 3dca s TYR 94 N -0.33 1.80 -0.83 5.30 1.51 -0.53 -1.28 117.35 122.99 3dca s TYR 94 Ca 0.04 -0.38 0.24 0.00 -1.01 0.00 0.00 57.07 55.96 3dca s TYR 94 Cb -0.13 -1.06 0.93 0.00 -0.11 0.00 0.00 41.96 41.60 3dca s TYR 94 CO 0.02 0.11 1.73 -0.35 -1.11 0.00 0.00 175.55 175.96 3dca n PRO 95 N 1.71 0.10 -3.52 -1.71 -0.04 -1.26 -0.66 135.00 129.62 3dca n PRO 95 Ca -0.18 0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 3dca n PRO 95 Cb 0.53 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 3dca n PRO 95 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3dca s SER 96 N -3.63 -0.51 0.53 3.54 1.04 -1.26 -4.09 113.70 109.32 3dca s SER 96 Ca 0.09 0.39 0.18 0.00 0.48 0.00 0.00 55.95 57.10 3dca s SER 96 Cb 0.13 0.45 1.35 0.00 0.10 0.00 0.00 66.02 68.05 3dca s SER 96 CO 0.45 -0.59 2.16 1.62 0.98 0.00 0.00 173.24 177.86 3dca h VAL 97 N 2.54 0.92 -0.33 5.02 3.04 -1.84 -2.06 116.25 123.55 3dca h VAL 97 Ca -0.25 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.27 3dca h VAL 97 Cb 1.19 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.46 3dca h VAL 97 CO 0.35 0.00 -0.47 0.00 -1.01 0.00 0.00 177.57 176.44 3dca h ALA 98 N 1.99 0.55 -0.35 3.17 0.00 -1.96 -1.97 119.26 120.68 3dca h ALA 98 Ca 0.01 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.45 3dca h ALA 98 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dca h ALA 98 CO -0.00 0.68 0.20 0.00 0.00 0.00 0.00 179.25 180.13 3dca h ALA 99 N 0.76 0.44 -0.23 0.00 0.00 -1.73 -1.77 119.26 116.73 3dca h ALA 99 Ca 0.04 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dca h ALA 99 Cb 1.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3dca h ALA 99 CO 0.11 -0.15 0.08 0.35 0.00 0.00 0.00 179.25 179.64 3dca h PHE 100 N 0.41 0.15 -0.27 0.00 3.57 -1.34 -2.93 116.94 116.53 3dca h PHE 100 Ca 0.14 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3dca h PHE 100 Cb 0.01 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3dca h PHE 100 CO -0.08 0.08 0.17 0.28 -2.23 0.00 0.00 178.31 176.52 3dca h VAL 101 N 0.19 1.05 0.00 1.41 2.07 -1.15 -2.73 116.25 117.09 3dca h VAL 101 Ca 0.10 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3dca h VAL 101 Cb 0.06 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3dca h VAL 101 CO -0.10 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 176.94 3dca n GLU 102 N -4.92 0.00 0.00 1.57 -0.58 -0.68 -2.51 120.64 113.52 3dca n GLU 102 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3dca n GLU 102 Cb 0.04 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3dca n GLU 102 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3dca n ILE 104 N 0.98 0.00 0.82 -3.67 2.08 -1.03 -2.83 119.36 115.70 3dca n ILE 104 Ca 0.00 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.42 3dca n ILE 104 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 38.83 3dca n ILE 104 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3dca n ARG 105 N 0.00 0.12 -1.91 0.38 1.74 -1.04 -4.55 116.66 111.39 3dca n ARG 105 Ca 0.00 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.63 3dca n ARG 105 Cb 0.00 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 3dca n ARG 105 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3dca s ASP 106 N -3.31 6.59 0.13 0.55 -1.08 -1.13 -4.83 116.67 113.58 3dca s ASP 106 Ca 0.06 2.52 -0.17 0.00 -0.52 0.00 0.00 52.55 54.44 3dca s ASP 106 Cb 0.16 -2.57 0.05 0.00 -1.46 0.00 0.00 42.92 39.10 3dca s ASP 106 CO 0.84 -0.89 1.04 -2.65 0.52 0.00 0.00 175.17 174.04 3dca n PRO 107 N 5.44 -0.23 -0.06 4.34 -0.02 -1.26 0.40 135.00 143.60 3dca n PRO 107 Ca 0.16 1.03 -0.10 0.00 -2.02 0.00 0.00 63.50 62.57 3dca n PRO 107 Cb 0.40 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 3dca n PRO 107 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dca h VAL 108 N 0.00 1.08 0.76 -1.45 2.07 -1.98 -1.06 116.25 115.67 3dca h VAL 108 Ca 0.17 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3dca h VAL 108 Cb 0.34 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3dca h VAL 108 CO -0.65 0.08 -0.42 0.22 0.02 0.00 0.00 177.57 176.82 3dca h TYR 109 N 0.31 -1.11 -0.94 1.57 3.20 -1.49 -1.62 116.97 116.90 3dca h TYR 109 Ca 0.09 -0.02 0.29 0.00 3.14 0.00 0.00 58.73 62.23 3dca h TYR 109 Cb -0.00 0.38 -0.16 0.00 1.54 0.00 0.00 36.73 38.49 3dca h TYR 109 CO -0.05 -0.65 0.28 0.00 -1.64 0.00 0.00 178.16 176.10 3dca h ARG 110 N -1.09 0.14 -0.29 1.82 3.08 0.32 0.29 114.38 118.65 3dca h ARG 110 Ca -0.10 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 3dca h ARG 110 Cb 0.86 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 3dca h ARG 110 CO 0.13 0.09 -0.38 0.93 -1.07 0.00 0.00 179.97 179.68 3dca h GLU 111 N 0.14 0.76 0.00 0.04 4.39 -0.95 -3.27 114.58 115.69 3dca h GLU 111 Ca 0.64 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3dca h GLU 111 Cb 1.40 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 3dca h GLU 111 CO -0.73 1.06 0.00 0.00 -1.16 0.00 0.00 179.01 178.18 3dca h ALA 112 N 0.69 1.00 0.00 3.43 0.00 0.51 -2.66 119.26 122.22 3dca h ALA 112 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dca h ALA 112 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3dca h ALA 112 CO 0.09 0.00 -0.30 -0.24 0.00 0.00 0.00 179.25 178.80 3dca h VAL 113 N 0.00 0.60 -0.98 0.00 3.04 -1.26 -2.85 116.25 114.79 3dca h VAL 113 Ca 0.00 -1.48 0.19 0.00 -1.01 0.00 0.00 66.70 64.40 3dca h VAL 113 Cb 0.47 2.02 -0.10 0.00 -2.01 0.00 0.00 31.29 31.67 3dca h VAL 113 CO 0.00 0.29 0.61 0.11 -1.01 0.00 0.00 177.57 177.57 3dca h LYS 114 N 0.00 0.66 0.01 4.17 1.57 -1.60 0.52 116.57 121.90 3dca h LYS 114 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3dca h LYS 114 Cb 0.99 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3dca h LYS 114 CO 0.04 0.44 -0.00 0.45 -0.57 0.00 0.00 179.45 179.80 3dca h HIS 115 N 0.68 -0.01 -0.55 -1.35 3.86 -1.67 -2.52 115.15 113.59 3dca h HIS 115 Ca 0.55 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.77 3dca h HIS 115 Cb 0.96 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.41 3dca h HIS 115 CO -0.00 0.16 0.35 -0.09 0.86 0.00 0.00 177.93 179.20 3dca h ARG 116 N -0.18 0.68 -0.85 2.45 2.43 -1.10 -1.33 114.38 116.49 3dca h ARG 116 Ca -0.00 -0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.31 3dca h ARG 116 Cb 0.17 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 3dca h ARG 116 CO 0.00 0.45 0.56 1.96 -1.51 0.00 0.00 179.97 181.44 3dca h GLN 117 N 0.70 0.40 0.00 0.20 4.20 0.11 -0.78 115.11 119.95 3dca h GLN 117 Ca 0.21 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3dca h GLN 117 Cb -0.04 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3dca h GLN 117 CO -0.07 0.27 -0.57 0.00 -0.67 0.00 0.00 178.83 177.79 3dca h ALA 118 N 1.62 0.67 0.00 3.87 0.00 -0.83 -3.38 119.26 121.21 3dca h ALA 118 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 55.01 3dca h ALA 118 Cb 1.04 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3dca h ALA 118 CO -0.15 0.00 -2.14 0.00 0.00 0.00 0.00 179.25 176.96 3dca n ALA 119 N -1.99 1.56 -2.67 0.00 0.00 -0.34 -1.02 120.51 116.05 3dca n ALA 119 Ca 0.03 -1.11 -0.41 0.00 0.00 0.00 0.00 53.44 51.94 3dca n ALA 119 Cb 0.49 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 3dca n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dca s VAL 120 N -2.57 4.90 0.05 0.00 1.01 -0.96 -0.93 120.40 121.90 3dca s VAL 120 Ca -0.08 1.54 -0.12 0.00 0.00 0.00 0.00 61.98 63.32 3dca s VAL 120 Cb 0.07 -4.10 -0.32 0.00 0.00 0.00 0.00 36.38 32.03 3dca s VAL 120 CO 0.83 0.03 1.06 -0.08 0.00 0.00 0.00 175.10 176.95 3dca h GLU 121 N 7.39 0.48 -1.83 2.72 4.81 -1.44 -3.44 114.58 123.28 3dca h GLU 121 Ca -0.29 -0.78 -0.00 0.00 -0.13 0.00 0.00 59.36 58.16 3dca h GLU 121 Cb 1.13 0.28 -0.22 0.00 0.63 0.00 0.00 28.75 30.57 3dca h GLU 121 CO 0.83 1.37 0.29 0.34 -0.73 0.00 0.00 179.01 181.10 3dca s ASP 122 N -7.43 -0.60 0.12 1.04 2.15 -0.92 -4.41 116.67 106.62 3dca s ASP 122 Ca -0.08 0.99 0.03 0.00 0.43 0.00 0.00 52.55 53.92 3dca s ASP 122 Cb 0.05 0.94 -0.04 0.00 -0.30 0.00 0.00 42.92 43.57 3dca s ASP 122 CO 0.93 -0.32 -0.09 -0.44 -0.17 0.00 0.00 175.17 175.08 3dca s SER 123 N -0.23 1.52 0.01 -0.34 0.01 -0.02 -0.33 113.70 114.33 3dca s SER 123 Ca -0.02 -0.96 0.04 0.00 1.31 0.00 0.00 55.95 56.32 3dca s SER 123 Cb -0.03 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 3dca s SER 123 CO 0.01 -0.35 -0.11 -0.13 0.41 0.00 0.00 173.24 173.06 3dca s ARG 124 N -3.54 0.84 -0.21 12.44 1.81 0.14 -4.66 118.95 125.78 3dca s ARG 124 Ca 0.12 -0.55 -0.04 0.00 -1.72 0.00 0.00 55.73 53.54 3dca s ARG 124 Cb 0.02 -0.81 0.08 0.00 -0.45 0.00 0.00 34.95 33.79 3dca s ARG 124 CO -0.01 0.21 0.14 -1.17 -0.68 0.00 0.00 175.30 173.78 3dca s LEU 125 N -0.71 0.26 -0.11 2.53 2.96 -1.25 0.61 118.68 122.97 3dca s LEU 125 Ca 0.02 -0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 3dca s LEU 125 Cb -0.06 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.51 3dca s LEU 125 CO 0.00 -0.37 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.96 3dca s ILE 126 N 2.18 3.61 -0.18 6.68 1.01 0.37 -4.94 121.20 129.93 3dca s ILE 126 Ca 0.05 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 3dca s ILE 126 Cb -0.16 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3dca s ILE 126 CO -0.17 0.54 0.52 -0.60 0.00 0.00 0.00 174.94 175.24 3dca s ARG 127 N -0.12 4.22 -0.02 2.79 3.52 -1.26 -1.10 118.95 126.99 3dca s ARG 127 Ca 0.01 0.45 0.04 0.00 -0.13 0.00 0.00 55.73 56.10 3dca s ARG 127 Cb -0.13 -3.54 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 3dca s ARG 127 CO 0.03 -0.09 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.77 3dca s LEU 128 N 1.45 1.94 -0.55 -0.88 1.43 0.77 -4.98 118.68 117.87 3dca s LEU 128 Ca 0.25 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 3dca s LEU 128 Cb -0.15 -0.79 0.06 0.00 0.03 0.00 0.00 46.19 45.34 3dca s LEU 128 CO 0.10 0.15 0.76 -1.59 0.23 0.00 0.00 176.35 176.00 3dca s LYS 129 N -0.11 3.16 0.59 1.70 0.00 -1.26 -1.25 119.74 122.57 3dca s LYS 129 Ca 0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 55.97 55.00 3dca s LYS 129 Cb -0.08 -4.13 -0.04 0.00 0.00 0.00 0.00 37.83 33.58 3dca s LYS 129 CO 0.01 -1.42 1.12 -0.35 0.00 0.00 0.00 175.35 174.71 3dca n PRO 130 N 6.74 1.12 -4.56 1.78 -0.04 -1.26 -5.03 135.00 133.75 3dca n PRO 130 Ca -0.04 0.43 -0.26 0.00 -0.04 0.00 0.00 63.50 63.58 3dca n PRO 130 Cb 0.45 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.49 3dca n PRO 130 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dca s LEU 131 N -2.80 2.35 0.01 1.53 1.43 -1.26 -5.08 118.68 114.86 3dca s LEU 131 Ca 0.76 -1.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 3dca s LEU 131 Cb -0.41 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.21 3dca s LEU 131 CO 0.46 -0.67 1.37 -1.59 0.23 0.00 0.00 176.35 176.16 3dca s LYS 132 N -3.81 4.30 0.00 1.70 0.00 -1.26 -5.29 119.74 115.38 3dca s LYS 132 Ca 0.28 1.94 0.00 0.00 0.00 0.00 0.00 55.97 58.20 3dca s LYS 132 Cb 0.07 -3.52 0.00 0.00 0.00 0.00 0.00 37.83 34.37 3dca s LYS 132 CO 0.14 -0.53 0.18 -2.30 0.00 0.00 0.00 175.35 172.83