#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 0.02 -0.37 1.09 0.00 -1.26 -5.04 107.32 101.76 3dca s GLY 3 Ca 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 44.72 45.09 3dca s GLY 3 CO 0.00 0.78 0.19 0.30 0.00 0.00 0.00 173.10 174.37 3dca s HIS 4 N 1.01 3.26 -0.19 1.90 3.76 -1.26 -4.93 115.29 118.84 3dca s HIS 4 Ca -0.08 -1.14 -0.02 0.00 -0.15 0.00 0.00 55.06 53.67 3dca s HIS 4 Cb -0.11 -2.46 -0.11 0.00 1.11 0.00 0.00 32.58 31.01 3dca s HIS 4 CO -0.04 -0.69 -0.20 -0.89 -0.85 0.00 0.00 174.74 172.07 3dca n ILE 5 N 4.95 1.08 -4.17 0.60 5.41 -1.26 -1.01 119.36 124.96 3dca n ILE 5 Ca -0.12 -0.37 -0.13 0.00 1.00 0.00 0.00 62.75 63.13 3dca n ILE 5 Cb 0.45 -1.36 -0.11 0.00 -0.71 0.00 0.00 39.64 37.92 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 -6.13 1.34 0.76 4.38 1.01 -1.26 -4.88 116.67 111.88 3dca s ASP 6 Ca -0.26 -0.86 -0.11 0.00 0.71 0.00 0.00 52.55 52.02 3dca s ASP 6 Cb 0.08 0.03 0.05 0.00 1.01 0.00 0.00 42.92 44.09 3dca s ASP 6 CO 0.41 -0.32 1.10 -2.16 0.21 0.00 0.00 175.17 174.41 3dca s PRO 7 N -3.06 2.42 0.30 8.23 0.04 -1.26 -5.05 135.00 136.63 3dca s PRO 7 Ca 0.07 0.55 -0.22 0.00 0.04 0.00 0.00 61.00 61.44 3dca s PRO 7 Cb -0.01 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 3dca s PRO 7 CO -0.01 -1.36 0.85 0.99 0.04 0.00 0.00 177.00 177.51 3dca s THR 8 N -3.25 4.40 0.25 1.26 2.01 -1.26 -4.96 115.64 114.09 3dca s THR 8 Ca 0.60 1.52 -0.11 0.00 0.31 0.00 0.00 61.69 64.00 3dca s THR 8 Cb -0.13 -3.87 0.36 0.00 0.01 0.00 0.00 72.50 68.87 3dca s THR 8 CO 0.53 0.07 1.58 0.07 -0.69 0.00 0.00 174.62 176.18 3dca h LYS 9 N 3.00 -0.01 -0.27 4.92 -0.00 -1.99 -0.31 116.57 121.92 3dca h LYS 9 Ca -0.48 0.00 -0.05 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 0.00 179.45 181.00 3dca h GLU 10 N -0.01 0.49 0.00 0.07 3.07 -2.01 -2.87 114.58 113.32 3dca h GLU 10 Ca 0.40 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.36 59.01 3dca h GLU 10 Cb 0.62 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3dca h GLU 10 CO -0.88 0.66 -0.43 0.28 -1.40 0.00 0.00 179.01 177.25 3dca h VAL 11 N 0.26 0.84 -0.02 3.13 2.07 -1.87 -2.97 116.25 117.70 3dca h VAL 11 Ca 0.07 -1.82 -0.16 0.00 0.82 0.00 0.00 66.70 65.61 3dca h VAL 11 Cb 0.46 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3dca h VAL 11 CO 0.02 0.42 -0.70 0.15 0.02 0.00 0.00 177.57 177.48 3dca h PHE 12 N 0.00 0.17 0.14 1.57 3.57 -0.92 -2.53 116.94 118.95 3dca h PHE 12 Ca -0.00 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3dca h PHE 12 Cb 1.12 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.83 3dca h PHE 12 CO 0.00 0.78 -0.07 0.00 -2.23 0.00 0.00 178.31 176.79 3dca h ALA 13 N 1.20 -0.19 -1.00 2.41 0.00 -1.35 -1.81 119.26 118.51 3dca h ALA 13 Ca -0.01 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.12 3dca h ALA 13 Cb 1.24 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 3dca h ALA 13 CO 0.10 -0.59 0.70 1.96 0.00 0.00 0.00 179.25 181.42 3dca h GLN 14 N -0.23 0.09 0.33 0.00 4.20 -1.40 0.45 115.11 118.56 3dca h GLN 14 Ca -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3dca h GLN 14 Cb 0.18 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3dca h GLN 14 CO 0.03 0.06 -0.16 0.35 -0.67 0.00 0.00 178.83 178.44 3dca h PHE 15 N 0.10 -0.41 -0.15 2.96 3.57 -0.96 -3.11 116.94 118.93 3dca h PHE 15 Ca 0.49 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.95 3dca h PHE 15 Cb 1.79 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.65 3dca h PHE 15 CO -0.00 -0.07 -0.08 0.00 -2.23 0.00 0.00 178.31 175.92 3dca h ARG 16 N -0.85 0.23 -0.63 1.11 3.08 -0.16 -2.27 114.38 114.89 3dca h ARG 16 Ca -0.05 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.09 3dca h ARG 16 Cb 0.53 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3dca h ARG 16 CO 0.07 0.33 0.43 0.00 -1.07 0.00 0.00 179.97 179.73 3dca h ALA 17 N 1.70 2.18 0.00 0.04 0.00 -0.22 -3.32 119.26 119.64 3dca h ALA 17 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3dca h ALA 17 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dca h ALA 17 CO 0.01 -0.34 -0.38 -0.97 0.00 0.00 0.00 179.25 177.57 3dca h ASN 18 N 0.30 0.00 -5.15 0.00 -0.73 -1.34 -3.47 115.58 105.20 3dca h ASN 18 Ca 0.30 -0.51 -0.25 0.00 1.87 0.00 0.00 56.30 57.72 3dca h ASN 18 Cb 0.77 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 39.21 3dca h ASN 18 CO -0.07 0.97 -0.35 -0.90 -0.37 0.00 0.00 177.43 176.71 3dca n ASP 19 N -4.61 -1.08 -4.48 1.15 5.75 -1.25 -4.93 116.55 107.11 3dca n ASP 19 Ca -0.13 -0.30 -0.38 0.00 -0.01 0.00 0.00 54.79 53.97 3dca n ASP 19 Cb 0.39 -0.99 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 -2.57 0.50 -2.72 0.11 -4.01 -1.26 -4.89 116.66 101.82 3dca n ARG 20 Ca 0.05 0.20 -0.43 0.00 -1.04 0.00 0.00 57.85 56.63 3dca n ARG 20 Cb 0.36 -1.76 -0.03 0.00 -3.04 0.00 0.00 32.46 27.99 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 -2.27 4.20 -0.01 2.89 2.12 -1.26 -4.72 118.70 119.65 3dca s GLU 21 Ca 0.69 1.18 -0.06 0.00 0.36 0.00 0.00 54.97 57.14 3dca s GLU 21 Cb -0.42 -3.66 0.02 0.00 0.26 0.00 0.00 34.13 30.33 3dca s GLU 21 CO 0.54 -0.65 0.28 0.41 -0.54 0.00 0.00 175.26 175.30 3dca n GLY 22 N 3.55 0.51 4.01 -1.50 0.00 -1.26 -5.14 105.19 105.36 3dca n GLY 22 Ca 0.10 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 2.29 0.06 1.61 0.04 -1.26 -4.07 135.00 131.66 3dca s PRO 23 Ca 0.07 -1.34 0.03 0.00 0.04 0.00 0.00 61.00 59.79 3dca s PRO 23 Cb -0.00 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 3dca s PRO 23 CO -0.00 -0.86 -0.09 0.96 0.04 0.00 0.00 177.00 177.04 3dca s ILE 24 N -2.73 0.69 0.17 0.56 -4.36 0.27 -4.66 121.20 111.14 3dca s ILE 24 Ca 0.61 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.78 3dca s ILE 24 Cb -0.07 -0.82 -0.00 0.00 1.25 0.00 0.00 42.46 42.81 3dca s ILE 24 CO 0.39 -0.40 0.00 1.41 0.24 0.00 0.00 174.94 176.59 3dca n HIS 25 N 1.26 0.37 -3.54 1.37 8.25 -0.17 -1.35 115.22 121.41 3dca n HIS 25 Ca -0.21 -0.84 -0.00 0.00 -0.26 0.00 0.00 57.72 56.40 3dca n HIS 25 Cb 0.55 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.84 -0.22 2.41 2.96 -0.07 0.37 118.68 123.30 3dca s LEU 27 Ca 0.01 1.18 -0.02 0.00 -0.22 0.00 0.00 54.13 55.08 3dca s LEU 27 Cb 0.00 1.99 0.01 0.00 0.50 0.00 0.00 46.19 48.69 3dca s LEU 27 CO 0.00 -0.17 -0.10 0.20 -1.32 0.00 0.00 176.35 174.97 3dca s ASN 28 N 2.51 3.94 -0.34 3.68 0.01 -0.00 -0.35 114.94 124.38 3dca s ASN 28 Ca -0.05 -0.63 0.04 0.00 -0.71 0.00 0.00 52.86 51.51 3dca s ASN 28 Cb -0.08 -1.63 0.10 0.00 0.41 0.00 0.00 41.25 40.04 3dca s ASN 28 CO -0.18 -0.05 0.05 -0.76 -1.51 0.00 0.00 177.10 174.65 3dca s LEU 29 N 1.37 4.72 -0.15 0.60 1.43 0.15 -2.28 118.68 124.52 3dca s LEU 29 Ca 0.04 -2.11 -0.05 0.00 -1.03 0.00 0.00 54.13 50.98 3dca s LEU 29 Cb -0.15 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3dca s LEU 29 CO -0.07 -0.38 0.01 0.68 0.23 0.00 0.00 176.35 176.82 3dca s VAL 30 N 0.93 4.33 -0.33 -1.59 -7.23 -0.42 -0.11 120.40 115.98 3dca s VAL 30 Ca 0.10 -0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.08 3dca s VAL 30 Cb -0.19 -2.90 0.08 0.00 0.56 0.00 0.00 36.38 33.93 3dca s VAL 30 CO -0.08 0.51 0.03 -0.60 -0.31 0.00 0.00 175.10 174.65 3dca s ARG 31 N 0.10 1.89 0.50 4.82 3.52 0.52 -0.05 118.95 130.25 3dca s ARG 31 Ca 0.02 -1.65 -0.20 0.00 -0.13 0.00 0.00 55.73 53.77 3dca s ARG 31 Cb -0.13 -3.19 -0.08 0.00 -1.56 0.00 0.00 34.95 29.99 3dca s ARG 31 CO 0.02 -0.83 1.06 -0.51 -0.81 0.00 0.00 175.30 174.23 3dca s LEU 32 N 1.04 3.81 0.44 -0.88 1.43 -1.26 -1.30 118.68 121.96 3dca s LEU 32 Ca 0.03 1.99 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 3dca s LEU 32 Cb -0.20 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.42 3dca s LEU 32 CO -0.06 -0.91 0.73 0.00 0.23 0.00 0.00 176.35 176.34 3dca s ARG 33 N -3.26 3.55 0.04 1.70 3.03 -0.15 -4.51 118.95 119.34 3dca s ARG 33 Ca 0.69 0.10 -0.12 0.00 2.03 0.00 0.00 55.73 58.42 3dca s ARG 33 Cb -0.18 -2.45 -0.34 0.00 -1.03 0.00 0.00 34.95 30.95 3dca s ARG 33 CO 0.22 -0.11 1.03 -1.35 -1.13 0.00 0.00 175.30 173.96 3dca h PRO 34 N 0.45 0.46 -4.79 3.89 0.11 -1.96 -3.21 132.00 126.95 3dca h PRO 34 Ca -0.48 -0.79 -0.68 0.00 0.11 0.00 0.00 66.00 64.17 3dca h PRO 34 Cb 1.21 0.29 -0.25 0.00 0.11 0.00 0.00 31.00 32.36 3dca h PRO 34 CO 0.62 1.38 -0.60 1.03 -0.21 0.00 0.00 178.00 180.21 3dca s ARG 35 N -2.62 3.14 0.76 1.05 3.00 -1.26 -2.14 118.95 120.89 3dca s ARG 35 Ca -0.08 -0.83 -0.15 0.00 0.00 0.00 0.00 55.73 54.67 3dca s ARG 35 Cb 0.05 -3.43 0.04 0.00 0.00 0.00 0.00 34.95 31.61 3dca s ARG 35 CO 0.93 -0.45 1.12 0.00 0.00 0.00 0.00 175.30 176.90 3dca n ALA 36 N 4.90 -0.00 -2.23 2.13 0.00 -1.04 -4.76 120.51 119.50 3dca n ALA 36 Ca -0.14 -0.25 -0.28 0.00 0.00 0.00 0.00 53.44 52.77 3dca n ALA 36 Cb 0.48 -2.20 0.01 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 -2.87 5.25 -2.12 0.00 0.00 -0.11 -4.81 120.51 115.85 3dca n ALA 37 Ca 0.14 -4.11 -0.42 0.00 0.00 0.00 0.00 53.44 49.05 3dca n ALA 37 Cb 0.50 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -3.62 2.86 1.06 0.00 1.51 -1.26 -4.79 117.35 113.11 3dca s TYR 38 Ca 0.50 0.72 -0.21 0.00 -1.01 0.00 0.00 57.07 57.07 3dca s TYR 38 Cb 0.41 -3.75 -0.01 0.00 -0.11 0.00 0.00 41.96 38.49 3dca s TYR 38 CO -0.13 -2.82 -0.52 -0.35 -1.11 0.00 0.00 175.55 170.62 3dca n PRO 39 N 5.00 -0.88 0.00 -1.71 -0.04 -1.26 -4.86 135.00 131.25 3dca n PRO 39 Ca 0.13 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 3dca n PRO 39 Cb 0.42 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3dca n PRO 39 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dca n ASP 40 N 0.35 0.00 0.00 3.54 5.68 -1.26 -5.17 116.55 119.68 3dca n ASP 40 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3dca n ASP 40 Cb 0.66 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 3dca n ASP 40 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3dca n GLU 43 N 0.00 0.00 -1.90 0.11 0.28 -1.26 -5.17 120.64 112.70 3dca n GLU 43 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 3dca n GLU 43 Cb 0.00 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.00 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 2.00 0.56 3.84 -1.32 -1.26 -4.97 115.64 114.49 3dca s THR 44 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 3dca s THR 44 Cb 0.00 -2.99 0.03 0.00 -1.51 0.00 0.00 72.50 68.02 3dca s THR 44 CO 0.00 0.00 0.82 0.42 -2.21 0.00 0.00 174.62 173.65 3dca s THR 45 N -3.68 3.08 0.07 5.08 -4.23 -1.26 -2.51 115.64 112.18 3dca s THR 45 Ca 0.66 -0.43 -0.22 0.00 -1.18 0.00 0.00 61.69 60.53 3dca s THR 45 Cb -0.08 -3.20 -0.12 0.00 1.34 0.00 0.00 72.50 70.44 3dca s THR 45 CO 0.51 -0.16 1.55 1.23 -0.54 0.00 0.00 174.62 177.20 3dca h GLY 46 N -0.03 0.22 2.00 3.99 0.00 -1.43 -2.24 103.07 105.58 3dca h GLY 46 Ca -0.44 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 3dca h GLY 46 CO 0.56 0.13 -0.33 0.00 0.00 0.00 0.00 176.54 176.90 3dca h ALA 47 N 0.83 1.44 -0.17 3.60 0.00 -1.86 0.06 119.26 123.16 3dca h ALA 47 Ca 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 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 0.41 -0.07 1.05 0.00 0.00 0.00 179.25 180.65 3dca h GLU 48 N 0.00 0.34 -0.95 0.00 4.11 -1.95 -2.24 114.58 113.90 3dca h GLU 48 Ca -0.00 -0.14 0.02 0.00 0.07 0.00 0.00 59.36 59.30 3dca h GLU 48 Cb 0.59 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 3dca h GLU 48 CO 0.04 0.64 0.63 0.00 0.07 0.00 0.00 179.01 180.39 3dca h ALA 49 N 0.69 1.34 -0.05 1.06 0.00 -0.68 -1.55 119.26 120.07 3dca h ALA 49 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dca h ALA 49 Cb 0.53 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dca h ALA 49 CO 0.02 0.60 -0.01 -0.92 0.00 0.00 0.00 179.25 178.94 3dca h TYR 50 N 1.26 0.11 -0.80 0.00 5.03 -1.03 -3.02 116.97 118.52 3dca h TYR 50 Ca 0.35 -0.02 0.16 0.00 2.58 0.00 0.00 58.73 61.80 3dca h TYR 50 Cb -0.11 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.09 3dca h TYR 50 CO -0.00 0.42 0.53 0.00 -1.32 0.00 0.00 178.16 177.80 3dca h ALA 51 N 0.68 2.12 0.11 1.82 0.00 -0.87 -0.78 119.26 122.33 3dca h ALA 51 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dca h ALA 51 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dca h ALA 51 CO 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 179.25 178.70 3dca h ALA 52 N 1.63 -0.81 -0.95 0.00 0.00 -1.18 0.31 119.26 118.26 3dca h ALA 52 Ca 0.40 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.43 3dca h ALA 52 Cb 0.93 0.55 -0.17 0.00 0.00 0.00 0.00 17.79 19.10 3dca h ALA 52 CO -0.14 -0.84 -0.27 0.98 0.00 0.00 0.00 179.25 178.97 3dca n TYR 53 N -3.61 0.26 0.08 0.00 9.36 -0.42 -0.96 117.16 121.87 3dca n TYR 53 Ca -0.04 1.17 -0.12 0.00 3.32 0.00 0.00 57.90 62.23 3dca n TYR 53 Cb 0.17 -1.00 -0.05 0.00 -0.63 0.00 0.00 39.34 37.83 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 -0.30 1.08 2.98 0.00 -0.84 1.02 103.07 107.00 3dca h GLY 54 Ca 0.42 0.22 0.08 0.00 0.00 0.00 0.00 47.33 48.06 3dca h GLY 54 CO -0.97 -0.18 0.42 0.07 0.00 0.00 0.00 176.54 175.88 3dca h ARG 55 N -0.34 0.54 0.15 4.80 -0.00 0.90 -2.40 114.38 118.02 3dca h ARG 55 Ca 0.04 -0.03 -0.35 0.00 -0.00 0.00 0.00 59.98 59.64 3dca h ARG 55 Cb 0.38 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.97 30.23 3dca h ARG 55 CO -0.14 0.36 -1.84 -0.44 -0.00 0.00 0.00 179.97 177.90 3dca h ASP 56 N 0.55 0.50 0.34 0.08 3.32 -0.47 -3.40 116.42 117.35 3dca h ASP 56 Ca 0.28 -0.89 -0.02 0.00 0.02 0.00 0.00 57.03 56.43 3dca h ASP 56 Cb 0.39 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3dca h ASP 56 CO -0.09 1.77 -0.17 0.77 -1.72 0.00 0.00 179.24 179.81 3dca h SER 57 N 0.09 -0.39 -0.55 6.45 4.64 0.12 -3.37 113.55 120.54 3dca h SER 57 Ca -0.37 -0.11 0.06 0.00 -0.47 0.00 0.00 61.79 60.90 3dca h SER 57 Cb 2.07 0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 64.18 3dca h SER 57 CO 0.14 -0.11 -0.29 0.61 -0.87 0.00 0.00 176.83 176.30 3dca n GLY 58 N -0.69 -1.34 0.21 -0.77 0.00 -0.92 -1.27 105.19 100.41 3dca n GLY 58 Ca -0.10 0.65 -0.01 0.00 0.00 0.00 0.00 46.02 46.55 3dca n GLY 58 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dca h PRO 59 N 0.00 0.11 0.96 1.61 0.11 -1.81 0.84 132.00 133.81 3dca h PRO 59 Ca 0.12 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 3dca h PRO 59 Cb 0.26 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.35 3dca h PRO 59 CO -0.53 0.07 -0.46 0.28 -0.21 0.00 0.00 178.00 177.15 3dca h VAL 60 N 0.11 0.02 -0.89 3.15 2.07 -1.39 -2.50 116.25 116.83 3dca h VAL 60 Ca 0.28 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.89 3dca h VAL 60 Cb 0.43 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 3dca h VAL 60 CO -0.46 0.00 0.49 -0.26 0.02 0.00 0.00 177.57 177.37 3dca h PHE 61 N -1.33 0.88 -0.45 1.57 -1.00 -0.86 -0.12 116.94 115.62 3dca h PHE 61 Ca -0.13 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.73 3dca h PHE 61 Cb 0.99 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 40.24 3dca h PHE 61 CO -0.00 0.26 0.20 1.05 -1.61 0.00 0.00 178.31 178.20 3dca h GLU 62 N 0.72 0.39 -0.50 1.51 4.11 0.68 0.19 114.58 121.68 3dca h GLU 62 Ca 0.47 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.83 3dca h GLU 62 Cb 0.61 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3dca h GLU 62 CO -0.33 0.26 0.12 -0.09 0.07 0.00 0.00 179.01 179.03 3dca h ARG 63 N 0.40 0.81 -0.03 1.06 2.43 -0.58 -2.03 114.38 116.44 3dca h ARG 63 Ca 0.20 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3dca h ARG 63 Cb 0.15 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3dca h ARG 63 CO -0.17 0.78 0.00 1.28 -1.51 0.00 0.00 179.97 180.35 3dca n LEU 64 N -4.45 0.65 0.00 3.80 4.77 -0.72 -4.93 117.00 116.13 3dca n LEU 64 Ca 0.01 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3dca n LEU 64 Cb 0.23 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3dca n LEU 64 CO 0.40 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3dca n GLY 65 N 1.03 0.73 3.78 -0.72 0.00 -0.64 -4.79 105.19 104.58 3dca n GLY 65 Ca 0.20 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.40 2.67 -0.09 -0.02 0.00 0.58 -4.33 107.32 103.73 3dca s GLY 66 Ca 0.00 0.82 -0.08 0.00 0.00 0.00 0.00 44.72 45.46 3dca s GLY 66 CO 0.00 1.20 0.24 0.54 0.00 0.00 0.00 173.10 175.08 3dca s LYS 67 N -3.03 0.27 -0.45 2.90 3.01 -0.49 -4.29 119.74 117.66 3dca s LYS 67 Ca 0.68 0.35 -0.25 0.00 -1.01 0.00 0.00 55.97 55.74 3dca s LYS 67 Cb -0.24 0.11 0.02 0.00 -1.01 0.00 0.00 37.83 36.72 3dca s LYS 67 CO 0.28 -0.05 0.89 0.08 0.51 0.00 0.00 175.35 177.07 3dca s VAL 68 N 0.24 4.53 -0.13 3.17 1.01 -1.26 0.40 120.40 128.35 3dca s VAL 68 Ca -0.01 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 62.42 3dca s VAL 68 Cb -0.03 -4.39 -0.26 0.00 0.00 0.00 0.00 36.38 31.70 3dca s VAL 68 CO -0.01 -0.76 0.81 0.58 0.00 0.00 0.00 175.10 175.72 3dca h VAL 69 N 6.02 1.75 -4.13 2.92 2.07 -1.32 -3.48 116.25 120.09 3dca h VAL 69 Ca -0.24 -2.29 -0.13 0.00 0.82 0.00 0.00 66.70 64.86 3dca h VAL 69 Cb 1.08 3.31 -0.17 0.00 -1.52 0.00 0.00 31.29 33.99 3dca h VAL 69 CO 1.00 0.60 -0.67 0.86 0.02 0.00 0.00 177.57 179.38 3dca s TRP 70 N -2.36 0.42 -0.29 1.57 -0.00 -1.17 -5.01 118.94 112.09 3dca s TRP 70 Ca -0.18 -0.87 -0.16 0.00 -0.00 0.00 0.00 56.10 54.89 3dca s TRP 70 Cb -0.02 -0.31 0.15 0.00 -0.00 0.00 0.00 33.47 33.28 3dca s TRP 70 CO 0.70 -0.33 0.98 -1.14 -0.00 0.00 0.00 176.95 177.16 3dca s GLN 71 N -3.12 0.37 0.37 5.86 0.74 -1.26 -0.96 119.66 121.66 3dca s GLN 71 Ca -0.01 0.66 0.04 0.00 0.05 0.00 0.00 55.36 56.10 3dca s GLN 71 Cb 0.02 0.12 -0.05 0.00 1.10 0.00 0.00 33.01 34.20 3dca s GLN 71 CO -0.07 -0.08 0.07 0.20 -0.55 0.00 0.00 175.29 174.86 3dca s GLY 72 N 1.47 2.32 -0.18 2.59 0.00 -0.98 -5.02 107.32 107.52 3dca s GLY 72 Ca -0.08 -1.70 -0.04 0.00 0.00 0.00 0.00 44.72 42.89 3dca s GLY 72 CO -0.15 -1.86 -0.03 1.62 0.00 0.00 0.00 173.10 172.68 3dca s GLN 73 N -3.83 3.60 0.14 2.90 0.74 -1.26 -3.94 119.66 118.00 3dca s GLN 73 Ca 0.30 -0.54 -0.31 0.00 0.05 0.00 0.00 55.36 54.86 3dca s GLN 73 Cb 0.06 -2.98 -0.11 0.00 1.10 0.00 0.00 33.01 31.09 3dca s GLN 73 CO 0.14 0.09 1.81 0.12 -0.55 0.00 0.00 175.29 176.90 3dca s PHE 74 N 0.77 2.26 -0.06 1.67 5.36 -1.26 -4.86 117.98 121.87 3dca s PHE 74 Ca -0.01 0.04 -0.04 0.00 -0.96 0.00 0.00 56.93 55.96 3dca s PHE 74 Cb -0.14 -4.17 -0.03 0.00 -0.34 0.00 0.00 43.02 38.34 3dca s PHE 74 CO 0.02 -4.77 -0.09 0.39 -1.46 0.00 0.00 175.22 169.30 3dca n GLU 75 N 5.42 0.15 0.00 10.12 1.02 -1.26 -5.08 120.64 131.01 3dca n GLU 75 Ca 0.17 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3dca n GLU 75 Cb 0.38 -0.75 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 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 -3.40 0.00 0.00 -4.62 7.94 -1.26 -5.19 117.00 110.48 3dca n LEU 76 Ca -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 3dca n LEU 76 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 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 -4.15 -1.96 7.94 -1.26 -5.12 117.00 112.45 3dca n LEU 78 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 3dca n LEU 78 Cb 0.00 0.12 -0.17 0.00 0.53 0.00 0.00 43.42 43.90 3dca n LEU 78 CO 0.00 -0.12 -0.53 -0.63 -1.11 0.00 0.00 177.39 175.00 3dca s ILE 79 N -1.30 1.76 0.00 1.96 1.01 -1.26 -5.08 121.20 118.30 3dca s ILE 79 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3dca s ILE 79 Cb 0.00 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3dca s ILE 79 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.04 3dca n GLY 80 N 3.68 2.62 3.71 6.18 0.00 -1.26 -5.09 105.19 115.05 3dca n GLY 80 Ca -0.20 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.79 4.46 0.47 1.61 0.04 -1.26 -4.93 135.00 133.60 3dca s PRO 81 Ca 0.00 1.72 0.14 0.00 0.04 0.00 0.00 61.00 62.89 3dca s PRO 81 Cb 0.00 -3.36 1.09 0.00 0.04 0.00 0.00 34.50 32.28 3dca s PRO 81 CO 0.00 -0.20 2.06 -0.56 0.04 0.00 0.00 177.00 178.34 3dca h GLN 82 N 6.68 0.27 -0.56 4.56 -0.00 -2.01 -2.05 115.11 122.00 3dca h GLN 82 Ca -0.42 -0.02 0.10 0.00 -0.00 0.00 0.00 58.65 58.32 3dca h GLN 82 Cb 1.21 -0.06 -0.11 0.00 -0.00 0.00 0.00 27.48 28.52 3dca h GLN 82 CO 0.80 0.18 -0.31 0.38 -0.00 0.00 0.00 178.83 179.87 3dca h ASP 83 N 0.28 -1.08 -2.69 0.06 3.04 -2.06 -3.41 116.42 110.56 3dca h ASP 83 Ca 0.14 0.22 -0.55 0.00 -3.24 0.00 0.00 57.03 53.60 3dca h ASP 83 Cb 0.23 0.54 0.07 0.00 -1.04 0.00 0.00 39.33 39.13 3dca h ASP 83 CO -0.03 -0.30 0.86 -0.62 -2.04 0.00 0.00 179.24 177.12 3dca n GLU 84 N -5.43 2.48 -3.60 4.15 1.02 -0.77 -4.99 120.64 113.49 3dca n GLU 84 Ca 0.04 0.89 -0.02 0.00 -0.02 0.00 0.00 57.16 58.05 3dca n GLU 84 Cb 0.35 -2.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.05 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 0.66 -1.05 -0.11 -0.32 -3.43 -1.26 -4.94 115.29 104.84 3dca s HIS 85 Ca 0.73 1.92 -0.05 0.00 -0.80 0.00 0.00 55.06 56.87 3dca s HIS 85 Cb -0.57 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 3dca s HIS 85 CO 0.40 -0.52 0.07 -1.58 -2.00 0.00 0.00 174.74 171.11 3dca s TRP 86 N 2.28 3.37 -0.22 0.38 0.52 -1.26 -4.77 118.94 119.24 3dca s TRP 86 Ca -0.07 0.34 0.22 0.00 0.02 0.00 0.00 56.10 56.62 3dca s TRP 86 Cb -0.08 -1.88 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 3dca s TRP 86 CO -0.18 0.58 1.01 -0.25 0.02 0.00 0.00 176.95 178.13 3dca n ASP 87 N 2.16 0.83 -3.78 2.95 8.00 0.93 -4.59 116.55 123.05 3dca n ASP 87 Ca -0.19 0.33 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 3dca n ASP 87 Cb 0.54 0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 41.96 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 -3.34 -0.11 -0.09 1.24 3.76 -0.41 -4.84 115.29 111.50 3dca s HIS 88 Ca -0.01 0.35 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 3dca s HIS 88 Cb 0.10 -0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.72 3dca s HIS 88 CO 0.79 -0.12 -0.07 0.08 -0.85 0.00 0.00 174.74 174.58 3dca s VAL 89 N 0.86 0.88 0.14 -0.90 1.01 -1.25 -1.30 120.40 119.83 3dca s VAL 89 Ca -0.07 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 3dca s VAL 89 Cb -0.09 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.46 3dca s VAL 89 CO -0.04 0.33 0.63 0.72 0.00 0.00 0.00 175.10 176.74 3dca s PHE 90 N 1.50 -0.53 -0.20 5.22 -0.71 -0.97 -2.31 117.98 119.99 3dca s PHE 90 Ca 0.00 0.34 0.01 0.00 -1.04 0.00 0.00 56.93 56.24 3dca s PHE 90 Cb -0.13 0.55 0.03 0.00 -1.21 0.00 0.00 43.02 42.26 3dca s PHE 90 CO -0.05 -0.82 -0.17 0.42 -1.34 0.00 0.00 175.22 173.26 3dca s ILE 91 N -3.64 2.12 -0.11 -4.49 1.01 -0.13 -0.82 121.20 115.14 3dca s ILE 91 Ca 0.01 -1.10 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 3dca s ILE 91 Cb -0.01 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3dca s ILE 91 CO -0.12 0.40 0.15 0.00 0.00 0.00 0.00 174.94 175.37 3dca s ALA 92 N 1.25 3.88 -0.10 9.38 0.00 -1.26 -0.80 121.76 134.11 3dca s ALA 92 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 3dca s ALA 92 Cb -0.15 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 3dca s ALA 92 CO -0.11 0.63 -0.05 -2.00 0.00 0.00 0.00 175.76 174.23 3dca s GLU 93 N -1.13 3.15 0.03 0.00 2.12 0.16 -4.31 118.70 118.73 3dca s GLU 93 Ca 0.16 -0.53 0.07 0.00 0.36 0.00 0.00 54.97 55.03 3dca s GLU 93 Cb -0.12 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 3dca s GLU 93 CO 0.06 0.49 -0.19 0.71 -0.54 0.00 0.00 175.26 175.79 3dca s TYR 94 N -0.33 1.69 -0.71 5.30 1.51 -0.45 -1.40 117.35 122.96 3dca s TYR 94 Ca 0.05 -0.36 0.23 0.00 -1.01 0.00 0.00 57.07 55.98 3dca s TYR 94 Cb -0.12 -1.02 0.90 0.00 -0.11 0.00 0.00 41.96 41.61 3dca s TYR 94 CO 0.02 0.06 1.71 -0.35 -1.11 0.00 0.00 175.55 175.88 3dca n PRO 95 N 1.98 0.15 -3.52 -1.71 -0.04 -1.26 -0.57 135.00 130.03 3dca n PRO 95 Ca -0.17 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 3dca n PRO 95 Cb 0.54 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.92 -0.53 0.52 3.54 1.04 -1.26 -4.07 113.70 109.03 3dca s SER 96 Ca 0.08 0.44 0.18 0.00 0.48 0.00 0.00 55.95 57.12 3dca s SER 96 Cb 0.11 0.46 1.29 0.00 0.10 0.00 0.00 66.02 67.99 3dca s SER 96 CO 0.44 -0.58 2.12 1.62 0.98 0.00 0.00 173.24 177.82 3dca h VAL 97 N 2.61 0.95 -0.37 5.02 3.04 -1.84 -1.57 116.25 124.09 3dca h VAL 97 Ca -0.25 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.30 3dca h VAL 97 Cb 1.18 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 3dca h VAL 97 CO 0.36 0.00 -0.33 0.00 -1.01 0.00 0.00 177.57 176.58 3dca h ALA 98 N 1.95 0.53 -0.35 3.17 0.00 -1.96 -1.64 119.26 120.97 3dca h ALA 98 Ca 0.04 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.55 3dca h ALA 98 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dca h ALA 98 CO -0.00 0.60 0.17 0.00 0.00 0.00 0.00 179.25 180.02 3dca h ALA 99 N 0.76 0.42 -0.23 0.00 0.00 -1.65 -1.60 119.26 116.96 3dca h ALA 99 Ca 0.06 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dca h ALA 99 Cb 0.92 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3dca h ALA 99 CO 0.08 -0.20 0.10 0.35 0.00 0.00 0.00 179.25 179.58 3dca h PHE 100 N 0.35 0.18 -0.40 0.00 3.57 -1.27 -2.94 116.94 116.43 3dca h PHE 100 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3dca h PHE 100 Cb 0.06 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3dca h PHE 100 CO -0.10 0.10 0.26 0.28 -2.23 0.00 0.00 178.31 176.62 3dca h VAL 101 N 0.22 1.10 0.00 1.41 2.07 -1.05 -2.72 116.25 117.28 3dca h VAL 101 Ca 0.10 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3dca h VAL 101 Cb 0.04 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3dca h VAL 101 CO -0.08 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 176.99 3dca n GLU 102 N -4.81 0.00 0.00 1.57 -0.58 -0.62 -2.51 120.64 113.69 3dca n GLU 102 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3dca n GLU 102 Cb 0.02 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.00 0.00 0.84 -3.67 2.08 -1.03 -2.86 119.36 115.73 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 -0.05 0.00 -0.75 0.00 0.00 39.64 38.84 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 0.10 -1.93 0.38 1.74 -1.04 -4.54 116.66 111.36 3dca n ARG 105 Ca 0.00 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 3dca n ARG 105 Cb 0.00 -1.51 -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 -3.28 6.60 0.12 0.55 -1.08 -1.13 -4.84 116.67 113.61 3dca s ASP 106 Ca 0.06 2.50 -0.18 0.00 -0.52 0.00 0.00 52.55 54.41 3dca s ASP 106 Cb 0.16 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 39.06 3dca s ASP 106 CO 0.84 -0.88 1.00 -2.65 0.52 0.00 0.00 175.17 174.00 3dca n PRO 107 N 5.40 -0.25 -0.16 4.34 -0.02 -1.26 0.36 135.00 143.42 3dca n PRO 107 Ca 0.16 0.98 -0.08 0.00 -2.02 0.00 0.00 63.50 62.54 3dca n PRO 107 Cb 0.40 -1.45 0.01 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.15 0.73 -1.45 2.07 -1.98 -1.19 116.25 115.57 3dca h VAL 108 Ca 0.14 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3dca h VAL 108 Cb 0.30 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3dca h VAL 108 CO -0.62 0.16 -0.35 0.22 0.02 0.00 0.00 177.57 177.00 3dca h TYR 109 N 0.62 -0.90 -0.94 1.57 3.20 -1.50 -1.83 116.97 117.19 3dca h TYR 109 Ca 0.17 -0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.29 3dca h TYR 109 Cb 0.02 0.30 -0.16 0.00 1.54 0.00 0.00 36.73 38.43 3dca h TYR 109 CO -0.03 -0.55 0.28 0.00 -1.64 0.00 0.00 178.16 176.22 3dca h ARG 110 N -1.01 0.15 -0.31 1.82 3.08 0.37 0.31 114.38 118.78 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 0.76 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 3dca h ARG 110 CO 0.16 0.10 -0.36 0.93 -1.07 0.00 0.00 179.97 179.73 3dca h GLU 111 N 0.15 0.80 0.00 0.04 4.39 -1.05 -3.26 114.58 115.65 3dca h GLU 111 Ca 0.63 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3dca h GLU 111 Cb 1.37 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 3dca h GLU 111 CO -0.72 1.07 0.00 0.00 -1.16 0.00 0.00 179.01 178.20 3dca h ALA 112 N 0.71 1.00 0.00 3.43 0.00 0.43 -2.64 119.26 122.19 3dca h ALA 112 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dca h ALA 112 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3dca h ALA 112 CO 0.09 0.00 -0.21 -0.24 0.00 0.00 0.00 179.25 178.89 3dca h VAL 113 N 0.00 0.39 -0.99 0.00 3.04 -1.24 -2.82 116.25 114.63 3dca h VAL 113 Ca 0.00 -1.35 0.21 0.00 -1.01 0.00 0.00 66.70 64.55 3dca h VAL 113 Cb 0.46 2.02 -0.09 0.00 -2.01 0.00 0.00 31.29 31.67 3dca h VAL 113 CO 0.00 0.20 0.62 0.11 -1.01 0.00 0.00 177.57 177.49 3dca h LYS 114 N 0.00 0.59 0.04 4.17 1.57 -1.60 0.66 116.57 122.00 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 1.01 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3dca h LYS 114 CO 0.03 0.39 -0.02 0.45 -0.57 0.00 0.00 179.45 179.73 3dca h HIS 115 N 0.61 -0.05 -0.64 -1.35 3.86 -1.67 -2.49 115.15 113.43 3dca h HIS 115 Ca 0.56 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.79 3dca h HIS 115 Cb 1.07 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 3dca h HIS 115 CO -0.00 0.15 0.41 -0.09 0.86 0.00 0.00 177.93 179.25 3dca h ARG 116 N -0.23 0.79 -0.79 2.45 2.43 -1.08 -1.39 114.38 116.55 3dca h ARG 116 Ca -0.00 -0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.29 3dca h ARG 116 Cb 0.21 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 3dca h ARG 116 CO 0.01 0.52 0.53 1.96 -1.51 0.00 0.00 179.97 181.48 3dca h GLN 117 N 0.81 0.37 0.00 0.20 4.20 0.39 -1.39 115.11 119.70 3dca h GLN 117 Ca 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3dca h GLN 117 Cb -0.02 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3dca h GLN 117 CO -0.08 0.25 -0.64 0.00 -0.67 0.00 0.00 178.83 177.68 3dca h ALA 118 N 1.63 0.63 0.00 3.87 0.00 -0.82 -3.38 119.26 121.19 3dca h ALA 118 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.97 3dca h ALA 118 Cb 0.97 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3dca h ALA 118 CO -0.13 0.00 -2.11 0.00 0.00 0.00 0.00 179.25 177.02 3dca n ALA 119 N -1.97 1.49 -2.66 0.00 0.00 -0.56 -0.93 120.51 115.88 3dca n ALA 119 Ca 0.02 -1.09 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 3dca n ALA 119 Cb 0.49 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.54 4.93 0.06 0.00 1.01 -0.99 -0.98 120.40 121.89 3dca s VAL 120 Ca -0.08 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 63.22 3dca s VAL 120 Cb 0.07 -4.05 -0.30 0.00 0.00 0.00 0.00 36.38 32.10 3dca s VAL 120 CO 0.83 0.04 1.10 1.05 0.00 0.00 0.00 175.10 178.11 3dca h GLU 121 N 7.50 0.45 -1.74 2.72 9.09 -1.43 -3.44 114.58 127.73 3dca h GLU 121 Ca -0.29 -0.70 0.02 0.00 0.05 0.00 0.00 59.36 58.45 3dca h GLU 121 Cb 1.13 0.25 -0.23 0.00 -1.65 0.00 0.00 28.75 28.24 3dca h GLU 121 CO 0.82 1.32 0.36 0.34 0.05 0.00 0.00 179.01 181.89 3dca s ASP 122 N -7.35 -0.54 0.14 3.06 2.15 -0.90 -4.41 116.67 108.82 3dca s ASP 122 Ca -0.07 0.92 0.03 0.00 0.43 0.00 0.00 52.55 53.86 3dca s ASP 122 Cb 0.06 0.89 -0.04 0.00 -0.30 0.00 0.00 42.92 43.53 3dca s ASP 122 CO 0.91 -0.26 -0.07 -0.44 -0.17 0.00 0.00 175.17 175.14 3dca s SER 123 N -0.12 1.51 0.02 -0.34 0.01 -0.18 -0.36 113.70 114.24 3dca s SER 123 Ca -0.00 -1.05 0.04 0.00 1.31 0.00 0.00 55.95 56.25 3dca s SER 123 Cb -0.04 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 3dca s SER 123 CO -0.01 -0.42 -0.12 -0.13 0.41 0.00 0.00 173.24 172.97 3dca s ARG 124 N -3.81 0.83 -0.23 12.44 1.81 0.85 -4.67 118.95 126.18 3dca s ARG 124 Ca 0.17 -0.60 -0.04 0.00 -1.72 0.00 0.00 55.73 53.54 3dca s ARG 124 Cb 0.04 -0.80 0.09 0.00 -0.45 0.00 0.00 34.95 33.83 3dca s ARG 124 CO -0.00 0.20 0.15 -1.17 -0.68 0.00 0.00 175.30 173.80 3dca s LEU 125 N -0.83 0.27 -0.12 2.53 2.96 -1.25 0.33 118.68 122.56 3dca s LEU 125 Ca 0.01 -0.80 -0.02 0.00 -0.22 0.00 0.00 54.13 53.10 3dca s LEU 125 Cb -0.06 -0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.50 3dca s LEU 125 CO 0.01 -0.38 -0.05 -0.63 -1.32 0.00 0.00 176.35 173.98 3dca s ILE 126 N 2.18 3.84 -0.17 6.68 1.01 0.52 -4.93 121.20 130.33 3dca s ILE 126 Ca 0.06 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 3dca s ILE 126 Cb -0.16 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3dca s ILE 126 CO -0.22 0.54 0.50 -0.60 0.00 0.00 0.00 174.94 175.16 3dca s ARG 127 N -0.09 4.24 -0.02 2.79 3.52 -1.26 -0.89 118.95 127.24 3dca s ARG 127 Ca 0.02 0.42 0.05 0.00 -0.13 0.00 0.00 55.73 56.08 3dca s ARG 127 Cb -0.13 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 3dca s ARG 127 CO 0.03 -0.05 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.80 3dca s LEU 128 N 1.30 1.99 -0.56 -0.88 1.43 0.16 -4.98 118.68 117.13 3dca s LEU 128 Ca 0.25 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 3dca s LEU 128 Cb -0.15 -0.84 0.06 0.00 0.03 0.00 0.00 46.19 45.29 3dca s LEU 128 CO 0.10 0.18 0.80 -1.59 0.23 0.00 0.00 176.35 176.07 3dca s LYS 129 N -0.24 3.17 0.60 1.70 0.00 -1.26 -1.00 119.74 122.71 3dca s LYS 129 Ca 0.03 -0.75 -0.19 0.00 0.00 0.00 0.00 55.97 55.07 3dca s LYS 129 Cb -0.08 -4.14 -0.05 0.00 0.00 0.00 0.00 37.83 33.57 3dca s LYS 129 CO 0.00 -1.47 0.98 -0.35 0.00 0.00 0.00 175.35 174.51 3dca n PRO 130 N 6.91 0.92 -4.57 1.78 -0.04 -1.26 -5.02 135.00 133.72 3dca n PRO 130 Ca -0.04 0.36 -0.26 0.00 -0.04 0.00 0.00 63.50 63.52 3dca n PRO 130 Cb 0.46 -2.18 -0.09 0.00 -0.04 0.00 0.00 33.50 31.64 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 -2.09 2.27 -0.00 1.53 1.43 -1.26 -5.09 118.68 115.47 3dca s LEU 131 Ca 0.76 -1.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 3dca s LEU 131 Cb -0.42 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.29 3dca s LEU 131 CO 0.47 -0.73 1.26 -1.59 0.23 0.00 0.00 176.35 175.99 3dca s LYS 132 N -3.81 4.36 0.00 1.70 0.00 -1.26 -5.29 119.74 115.44 3dca s LYS 132 Ca 0.26 1.79 0.00 0.00 0.00 0.00 0.00 55.97 58.01 3dca s LYS 132 Cb 0.06 -3.49 0.00 0.00 0.00 0.00 0.00 37.83 34.39 3dca s LYS 132 CO 0.13 -0.43 0.20 -2.30 0.00 0.00 0.00 175.35 172.95