#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 0.01 -0.36 1.09 0.00 -1.26 -5.04 107.32 101.76 3dca s GLY 3 Ca 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 44.72 45.17 3dca s GLY 3 CO 0.00 0.87 0.17 0.30 0.00 0.00 0.00 173.10 174.44 3dca s HIS 4 N 1.11 3.24 -0.20 1.90 4.02 -1.26 -4.93 115.29 119.17 3dca s HIS 4 Ca -0.09 -1.09 -0.03 0.00 1.02 0.00 0.00 55.06 54.87 3dca s HIS 4 Cb -0.12 -2.38 -0.11 0.00 -1.02 0.00 0.00 32.58 28.95 3dca s HIS 4 CO -0.05 -0.66 -0.21 -0.89 1.02 0.00 0.00 174.74 173.95 3dca n ILE 5 N 4.93 1.12 -4.11 0.60 5.41 -1.26 -1.37 119.36 124.68 3dca n ILE 5 Ca -0.12 -0.37 -0.12 0.00 1.00 0.00 0.00 62.75 63.14 3dca n ILE 5 Cb 0.46 -1.42 -0.11 0.00 -0.71 0.00 0.00 39.64 37.86 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 -6.27 1.01 0.80 4.38 1.11 -1.26 -4.90 116.67 111.54 3dca s ASP 6 Ca -0.27 -0.74 -0.12 0.00 0.18 0.00 0.00 52.55 51.60 3dca s ASP 6 Cb 0.08 0.06 0.07 0.00 1.07 0.00 0.00 42.92 44.20 3dca s ASP 6 CO 0.41 -0.31 1.10 -2.16 1.18 0.00 0.00 175.17 175.40 3dca s PRO 7 N -2.53 2.04 0.31 8.23 0.04 -1.26 -5.04 135.00 136.79 3dca s PRO 7 Ca -0.01 0.56 -0.21 0.00 0.04 0.00 0.00 61.00 61.38 3dca s PRO 7 Cb -0.04 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 3dca s PRO 7 CO -0.02 -1.63 0.83 0.99 0.04 0.00 0.00 177.00 177.21 3dca s THR 8 N -3.21 4.46 0.27 1.26 2.01 -1.26 -4.96 115.64 114.21 3dca s THR 8 Ca 0.61 1.40 -0.06 0.00 0.31 0.00 0.00 61.69 63.94 3dca s THR 8 Cb -0.14 -3.80 0.36 0.00 0.01 0.00 0.00 72.50 68.92 3dca s THR 8 CO 0.54 0.02 1.60 0.07 -0.69 0.00 0.00 174.62 176.15 3dca h LYS 9 N 2.85 0.04 -0.28 4.92 -0.00 -1.99 -0.56 116.57 121.54 3dca h LYS 9 Ca -0.48 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.65 60.09 3dca h LYS 9 Cb 1.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.40 3dca h LYS 9 CO 0.64 0.02 -0.12 0.93 -0.00 0.00 0.00 179.45 180.93 3dca h GLU 10 N 0.04 0.58 0.00 0.07 3.07 -2.01 -2.98 114.58 113.34 3dca h GLU 10 Ca 0.46 -0.25 -0.09 0.00 -0.50 0.00 0.00 59.36 58.99 3dca h GLU 10 Cb 0.81 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 3dca h GLU 10 CO -0.83 0.81 -0.41 0.28 -1.40 0.00 0.00 179.01 177.47 3dca h VAL 11 N 0.32 0.80 -0.01 3.13 2.07 -1.86 -3.02 116.25 117.69 3dca h VAL 11 Ca 0.06 -1.79 -0.16 0.00 0.82 0.00 0.00 66.70 65.64 3dca h VAL 11 Cb 0.63 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3dca h VAL 11 CO 0.04 0.40 -0.72 0.15 0.02 0.00 0.00 177.57 177.46 3dca h PHE 12 N 0.00 0.10 0.31 1.57 3.57 -1.03 -2.53 116.94 118.93 3dca h PHE 12 Ca -0.00 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 3dca h PHE 12 Cb 1.11 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 3dca h PHE 12 CO 0.00 0.76 -0.28 0.00 -2.23 0.00 0.00 178.31 176.56 3dca h ALA 13 N 1.23 -0.61 -1.06 2.41 0.00 -1.40 -1.95 119.26 117.88 3dca h ALA 13 Ca -0.01 -0.10 0.29 0.00 0.00 0.00 0.00 54.91 55.09 3dca h ALA 13 Cb 1.27 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 3dca h ALA 13 CO 0.10 -0.87 0.73 1.96 0.00 0.00 0.00 179.25 181.16 3dca h GLN 14 N -0.61 0.20 0.33 0.00 4.20 -1.45 0.77 115.11 118.53 3dca h GLN 14 Ca -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3dca h GLN 14 Cb 0.55 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3dca h GLN 14 CO -0.04 0.13 -0.16 0.35 -0.67 0.00 0.00 178.83 178.45 3dca h PHE 15 N 0.20 -0.41 -0.29 2.96 3.57 -1.01 -3.06 116.94 118.90 3dca h PHE 15 Ca 0.56 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 62.00 3dca h PHE 15 Cb 1.78 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.64 3dca h PHE 15 CO -0.00 -0.07 -0.04 0.00 -2.23 0.00 0.00 178.31 175.96 3dca h ARG 16 N -0.79 0.45 -0.81 1.11 3.08 0.16 -2.31 114.38 115.27 3dca h ARG 16 Ca -0.04 -0.10 0.20 0.00 0.07 0.00 0.00 59.98 60.10 3dca h ARG 16 Cb 0.51 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 3dca h ARG 16 CO 0.07 0.51 0.55 0.00 -1.07 0.00 0.00 179.97 180.04 3dca h ALA 17 N 1.53 2.38 0.00 0.04 0.00 0.39 -3.30 119.26 120.30 3dca h ALA 17 Ca 0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3dca h ALA 17 Cb 0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dca h ALA 17 CO 0.01 -0.62 -0.37 -0.97 0.00 0.00 0.00 179.25 177.31 3dca h ASN 18 N 0.25 0.00 -5.35 0.00 -0.73 -1.31 -3.47 115.58 104.96 3dca h ASN 18 Ca 0.40 -0.47 -0.28 0.00 1.87 0.00 0.00 56.30 57.82 3dca h ASN 18 Cb 1.20 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 39.62 3dca h ASN 18 CO -0.10 0.94 -0.41 -0.90 -0.37 0.00 0.00 177.43 176.60 3dca n ASP 19 N -4.61 -1.15 -4.46 1.15 5.75 -1.25 -4.93 116.55 107.06 3dca n ASP 19 Ca -0.12 -0.39 -0.37 0.00 -0.01 0.00 0.00 54.79 53.90 3dca n ASP 19 Cb 0.37 -1.05 0.06 0.00 -1.03 0.00 0.00 41.12 39.47 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 -2.71 0.37 -2.81 0.11 -4.01 -1.26 -4.89 116.66 101.46 3dca n ARG 20 Ca 0.05 0.16 -0.42 0.00 -1.04 0.00 0.00 57.85 56.60 3dca n ARG 20 Cb 0.37 -1.77 -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 -2.50 4.26 0.00 2.89 2.12 -1.26 -4.71 118.70 119.49 3dca s GLU 21 Ca 0.66 1.12 0.00 0.00 0.36 0.00 0.00 54.97 57.11 3dca s GLU 21 Cb -0.38 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.40 3dca s GLU 21 CO 0.57 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 3dca n GLY 22 N 3.49 -1.19 4.01 -1.50 0.00 -1.26 -5.14 105.19 103.59 3dca n GLY 22 Ca 0.07 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.61 2.15 0.03 1.61 0.04 -1.26 -4.05 135.00 132.91 3dca s PRO 23 Ca 0.00 -1.36 0.01 0.00 0.04 0.00 0.00 61.00 59.69 3dca s PRO 23 Cb 0.00 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 3dca s PRO 23 CO 0.00 -1.00 -0.06 0.96 0.04 0.00 0.00 177.00 176.94 3dca s ILE 24 N -2.81 0.37 0.20 0.56 -4.36 0.16 -4.66 121.20 110.66 3dca s ILE 24 Ca 0.62 -0.98 0.00 0.00 -0.26 0.00 0.00 60.65 60.04 3dca s ILE 24 Cb -0.06 -0.47 -0.00 0.00 1.25 0.00 0.00 42.46 43.18 3dca s ILE 24 CO 0.40 -0.40 0.01 1.41 0.24 0.00 0.00 174.94 176.59 3dca n HIS 25 N 1.58 0.43 -3.58 1.37 8.25 -0.38 -1.37 115.22 121.51 3dca n HIS 25 Ca -0.23 -0.99 -0.01 0.00 -0.26 0.00 0.00 57.72 56.23 3dca n HIS 25 Cb 0.55 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.94 -0.23 2.41 2.96 -0.27 -0.15 118.68 122.46 3dca s LEU 27 Ca 0.01 1.32 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 3dca s LEU 27 Cb 0.00 2.11 0.02 0.00 0.50 0.00 0.00 46.19 48.82 3dca s LEU 27 CO 0.01 -0.19 -0.09 0.20 -1.32 0.00 0.00 176.35 174.96 3dca s ASN 28 N 2.55 4.06 -0.35 3.68 0.01 0.18 -0.67 114.94 124.39 3dca s ASN 28 Ca -0.06 -0.75 0.02 0.00 -0.71 0.00 0.00 52.86 51.36 3dca s ASN 28 Cb -0.09 -1.63 0.10 0.00 0.41 0.00 0.00 41.25 40.03 3dca s ASN 28 CO -0.18 -0.08 0.08 -0.76 -1.51 0.00 0.00 177.10 174.65 3dca s LEU 29 N 1.34 4.81 -0.14 0.60 1.43 0.17 -2.08 118.68 124.81 3dca s LEU 29 Ca 0.02 -2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 51.03 3dca s LEU 29 Cb -0.15 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3dca s LEU 29 CO -0.06 -0.41 -0.02 -0.69 0.23 0.00 0.00 176.35 175.40 3dca s VAL 30 N 0.99 4.10 -0.31 -1.59 1.01 -0.50 0.07 120.40 124.17 3dca s VAL 30 Ca 0.09 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3dca s VAL 30 Cb -0.20 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.48 3dca s VAL 30 CO -0.07 0.52 -0.01 -0.60 0.00 0.00 0.00 175.10 174.95 3dca s ARG 31 N -0.00 1.95 0.50 2.72 3.52 0.60 -0.31 118.95 127.93 3dca s ARG 31 Ca 0.02 -1.58 -0.20 0.00 -0.13 0.00 0.00 55.73 53.84 3dca s ARG 31 Cb -0.13 -3.11 -0.08 0.00 -1.56 0.00 0.00 34.95 30.07 3dca s ARG 31 CO 0.02 -0.76 1.05 -0.51 -0.81 0.00 0.00 175.30 174.29 3dca s LEU 32 N 1.05 3.81 0.53 -0.88 1.43 -1.26 -1.01 118.68 122.34 3dca s LEU 32 Ca 0.01 1.94 -0.04 0.00 -1.03 0.00 0.00 54.13 55.01 3dca s LEU 32 Cb -0.20 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.46 3dca s LEU 32 CO -0.06 -0.85 0.81 0.00 0.23 0.00 0.00 176.35 176.48 3dca s ARG 33 N -3.30 3.10 -0.04 1.70 1.70 -0.20 -4.51 118.95 117.39 3dca s ARG 33 Ca 0.67 -0.10 -0.14 0.00 -0.47 0.00 0.00 55.73 55.70 3dca s ARG 33 Cb -0.17 -2.38 -0.32 0.00 -0.57 0.00 0.00 34.95 31.52 3dca s ARG 33 CO 0.22 -0.47 0.75 -1.35 -1.08 0.00 0.00 175.30 173.37 3dca h PRO 34 N 0.08 0.41 -4.73 3.89 0.11 -1.97 -3.23 132.00 126.55 3dca h PRO 34 Ca -0.46 -0.70 -0.68 0.00 0.11 0.00 0.00 66.00 64.27 3dca h PRO 34 Cb 1.24 0.26 -0.25 0.00 0.11 0.00 0.00 31.00 32.37 3dca h PRO 34 CO 0.60 1.33 -0.57 1.03 -0.21 0.00 0.00 178.00 180.18 3dca s ARG 35 N -2.56 3.07 0.77 1.05 3.00 -1.26 -2.07 118.95 120.95 3dca s ARG 35 Ca -0.15 -0.89 -0.15 0.00 0.00 0.00 0.00 55.73 54.55 3dca s ARG 35 Cb 0.05 -3.53 0.04 0.00 0.00 0.00 0.00 34.95 31.50 3dca s ARG 35 CO 0.86 -0.51 1.06 0.00 0.00 0.00 0.00 175.30 176.71 3dca n ALA 36 N 4.93 -0.19 -2.22 2.13 0.00 -1.08 -4.78 120.51 119.31 3dca n ALA 36 Ca -0.13 -0.26 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 3dca n ALA 36 Cb 0.48 -2.17 0.01 0.00 0.00 0.00 0.00 19.45 17.77 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 -2.89 5.28 -2.16 0.00 0.00 -0.06 -4.81 120.51 115.87 3dca n ALA 37 Ca 0.13 -4.09 -0.42 0.00 0.00 0.00 0.00 53.44 49.06 3dca n ALA 37 Cb 0.50 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 -3.63 3.00 1.06 0.00 1.51 -1.26 -4.78 117.35 113.24 3dca s TYR 38 Ca 0.50 0.83 -0.20 0.00 -1.01 0.00 0.00 57.07 57.19 3dca s TYR 38 Cb 0.41 -3.71 -0.00 0.00 -0.11 0.00 0.00 41.96 38.55 3dca s TYR 38 CO -0.13 -2.59 -0.41 -0.35 -1.11 0.00 0.00 175.55 170.96 3dca n PRO 39 N 4.65 -0.87 0.00 -1.71 -0.04 -1.26 -4.86 135.00 130.91 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 0.43 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.13 0.00 0.00 3.54 3.85 -1.26 -5.17 116.55 117.64 3dca n ASP 40 Ca 0.01 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.09 3dca n ASP 40 Cb 0.64 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 3dca n ASP 40 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3dca n GLU 43 N 0.00 0.00 -2.01 0.11 4.71 -1.26 -5.17 120.64 117.02 3dca n GLU 43 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.86 3dca n GLU 43 Cb 0.00 0.00 0.15 0.00 -1.01 0.00 0.00 31.44 30.58 3dca n GLU 43 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 3dca s THR 44 N 0.00 2.04 0.58 2.62 -1.32 -1.26 -4.97 115.64 113.32 3dca s THR 44 Ca 0.00 -0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.39 3dca s THR 44 Cb 0.00 -2.96 0.03 0.00 -1.51 0.00 0.00 72.50 68.06 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 -3.69 2.85 0.05 5.08 -4.23 -1.26 -2.63 115.64 111.81 3dca s THR 45 Ca 0.69 -0.47 -0.22 0.00 -1.18 0.00 0.00 61.69 60.51 3dca s THR 45 Cb -0.06 -3.11 -0.14 0.00 1.34 0.00 0.00 72.50 70.52 3dca s THR 45 CO 0.51 -0.10 1.51 1.23 -0.54 0.00 0.00 174.62 177.23 3dca h GLY 46 N -0.08 0.18 2.00 3.99 0.00 -1.43 -2.00 103.07 105.71 3dca h GLY 46 Ca -0.44 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 3dca h GLY 46 CO 0.56 0.11 -0.35 0.00 0.00 0.00 0.00 176.54 176.86 3dca h ALA 47 N 0.78 1.40 -0.14 3.60 0.00 -1.86 0.17 119.26 123.20 3dca h ALA 47 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3dca h ALA 47 Cb 0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dca h ALA 47 CO 0.00 0.43 -0.09 1.05 0.00 0.00 0.00 179.25 180.65 3dca h GLU 48 N 0.00 0.31 -0.87 0.00 9.09 -1.96 -2.10 114.58 119.06 3dca h GLU 48 Ca -0.00 -0.15 0.02 0.00 0.05 0.00 0.00 59.36 59.28 3dca h GLU 48 Cb 0.62 -0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.67 3dca h GLU 48 CO 0.05 0.66 0.57 0.00 0.05 0.00 0.00 179.01 180.34 3dca h ALA 49 N 0.65 1.42 -0.02 1.06 0.00 -0.55 -1.61 119.26 120.22 3dca h ALA 49 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dca h ALA 49 Cb 0.57 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dca h ALA 49 CO 0.02 0.51 -0.00 -0.92 0.00 0.00 0.00 179.25 178.86 3dca h TYR 50 N 1.12 0.04 -0.54 0.00 5.03 -1.00 -3.03 116.97 118.59 3dca h TYR 50 Ca 0.33 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.76 3dca h TYR 50 Cb -0.05 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 3dca h TYR 50 CO -0.00 0.39 0.38 0.00 -1.32 0.00 0.00 178.16 177.61 3dca h ALA 51 N 0.65 2.31 0.17 1.82 0.00 -0.91 -0.76 119.26 122.54 3dca h ALA 51 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dca h ALA 51 Cb 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3dca h ALA 51 CO 0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 179.25 178.59 3dca h ALA 52 N 1.73 -0.88 -0.94 0.00 0.00 -1.19 -0.83 119.26 117.16 3dca h ALA 52 Ca 0.26 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.26 3dca h ALA 52 Cb 0.82 0.49 -0.16 0.00 0.00 0.00 0.00 17.79 18.93 3dca h ALA 52 CO -0.04 -0.90 -0.31 0.98 0.00 0.00 0.00 179.25 178.99 3dca n TYR 53 N -3.61 0.16 0.07 0.00 9.36 -0.40 -1.06 117.16 121.69 3dca n TYR 53 Ca -0.05 1.15 -0.12 0.00 3.32 0.00 0.00 57.90 62.20 3dca n TYR 53 Cb 0.18 -0.93 -0.05 0.00 -0.63 0.00 0.00 39.34 37.91 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 -0.47 0.90 2.98 0.00 -1.08 1.12 103.07 106.53 3dca h GLY 54 Ca 0.38 0.34 0.10 0.00 0.00 0.00 0.00 47.33 48.14 3dca h GLY 54 CO -0.94 -0.22 0.48 0.07 0.00 0.00 0.00 176.54 175.93 3dca h ARG 55 N -0.45 0.62 0.13 4.80 -0.00 0.40 -2.42 114.38 117.47 3dca h ARG 55 Ca 0.05 -0.04 -0.35 0.00 -0.00 0.00 0.00 59.98 59.65 3dca h ARG 55 Cb 0.52 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 30.34 3dca h ARG 55 CO -0.22 0.41 -1.82 0.38 -0.00 0.00 0.00 179.97 178.71 3dca h ASP 56 N 0.64 0.44 0.55 0.08 3.04 -0.49 -3.39 116.42 117.29 3dca h ASP 56 Ca 0.34 -0.80 -0.12 0.00 -3.24 0.00 0.00 57.03 53.21 3dca h ASP 56 Cb 0.47 -0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 38.60 3dca h ASP 56 CO -0.12 1.70 -0.58 0.77 -2.04 0.00 0.00 179.24 178.97 3dca h SER 57 N 0.08 0.04 0.04 4.15 4.64 0.15 -3.38 113.55 119.27 3dca h SER 57 Ca -0.36 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3dca h SER 57 Cb 2.05 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 64.12 3dca h SER 57 CO 0.13 0.61 -0.15 1.23 -0.87 0.00 0.00 176.83 177.77 3dca h GLY 58 N 1.70 -1.19 -0.87 -0.77 0.00 -1.64 -1.48 103.07 98.82 3dca h GLY 58 Ca -0.01 0.55 0.18 0.00 0.00 0.00 0.00 47.33 48.05 3dca h GLY 58 CO 0.08 -0.40 -0.21 -1.05 0.00 0.00 0.00 176.54 174.96 3dca n PRO 59 N -3.30 -0.08 0.42 4.80 -0.02 -1.26 0.51 135.00 136.06 3dca n PRO 59 Ca -0.02 1.36 -0.18 0.00 -2.02 0.00 0.00 63.50 62.64 3dca n PRO 59 Cb 0.12 -2.04 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 3dca n PRO 59 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dca h VAL 60 N 0.00 0.15 -0.94 -1.45 2.07 -1.71 -2.48 116.25 111.89 3dca h VAL 60 Ca 0.42 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.95 3dca h VAL 60 Cb 0.66 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 3dca h VAL 60 CO -0.90 0.01 0.57 -0.26 0.02 0.00 0.00 177.57 177.01 3dca h PHE 61 N -1.16 1.02 -0.33 1.57 -1.00 0.74 -0.52 116.94 117.25 3dca h PHE 61 Ca -0.11 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.75 3dca h PHE 61 Cb 0.82 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 40.03 3dca h PHE 61 CO -0.01 0.35 0.08 1.05 -1.61 0.00 0.00 178.31 178.18 3dca h GLU 62 N 0.86 0.20 -0.56 1.51 4.11 0.07 0.30 114.58 121.07 3dca h GLU 62 Ca 0.49 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.87 3dca h GLU 62 Cb 0.56 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3dca h GLU 62 CO -0.30 0.13 0.23 -0.09 0.07 0.00 0.00 179.01 179.05 3dca h ARG 63 N 0.20 0.83 -0.01 1.06 2.43 -0.64 -1.75 114.38 116.51 3dca h ARG 63 Ca 0.15 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dca h ARG 63 Cb 0.16 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3dca h ARG 63 CO -0.19 0.72 -0.01 1.28 -1.51 0.00 0.00 179.97 180.26 3dca n LEU 64 N -4.50 0.67 0.00 3.80 4.77 -0.74 -4.93 117.00 116.07 3dca n LEU 64 Ca 0.03 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3dca n LEU 64 Cb 0.16 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3dca n LEU 64 CO 0.38 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3dca n GLY 65 N 1.09 0.76 3.78 -0.72 0.00 -0.58 -4.79 105.19 104.74 3dca n GLY 65 Ca 0.21 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.36 2.68 -0.10 -0.02 0.00 0.96 -4.32 107.32 104.16 3dca s GLY 66 Ca 0.00 0.82 -0.08 0.00 0.00 0.00 0.00 44.72 45.45 3dca s GLY 66 CO 0.00 1.21 0.27 0.54 0.00 0.00 0.00 173.10 175.12 3dca s LYS 67 N -2.97 0.29 -0.46 2.90 3.01 -0.47 -4.29 119.74 117.75 3dca s LYS 67 Ca 0.67 0.42 -0.27 0.00 -1.01 0.00 0.00 55.97 55.78 3dca s LYS 67 Cb -0.24 0.09 0.03 0.00 -1.01 0.00 0.00 37.83 36.69 3dca s LYS 67 CO 0.29 -0.07 1.02 0.08 0.51 0.00 0.00 175.35 177.17 3dca s VAL 68 N 0.43 4.36 -0.13 3.17 1.01 -1.26 0.32 120.40 128.30 3dca s VAL 68 Ca -0.02 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 62.64 3dca s VAL 68 Cb -0.04 -4.50 -0.25 0.00 0.00 0.00 0.00 36.38 31.58 3dca s VAL 68 CO -0.02 -0.90 0.83 0.58 0.00 0.00 0.00 175.10 175.59 3dca h VAL 69 N 6.13 1.75 -4.08 2.92 2.07 -1.33 -3.48 116.25 120.24 3dca h VAL 69 Ca -0.24 -2.22 -0.15 0.00 0.82 0.00 0.00 66.70 64.92 3dca h VAL 69 Cb 1.07 3.26 -0.18 0.00 -1.52 0.00 0.00 31.29 33.92 3dca h VAL 69 CO 1.07 0.58 -0.68 0.86 0.02 0.00 0.00 177.57 179.41 3dca s TRP 70 N -2.45 0.37 -0.29 1.57 -0.00 -1.17 -5.01 118.94 111.96 3dca s TRP 70 Ca -0.19 -0.76 -0.16 0.00 -0.00 0.00 0.00 56.10 55.00 3dca s TRP 70 Cb -0.02 -0.27 0.13 0.00 -0.00 0.00 0.00 33.47 33.31 3dca s TRP 70 CO 0.69 -0.28 0.91 -1.14 -0.00 0.00 0.00 176.95 177.12 3dca s GLN 71 N -2.59 0.44 0.36 5.86 0.74 -1.26 -1.02 119.66 122.19 3dca s GLN 71 Ca -0.05 0.81 0.04 0.00 0.05 0.00 0.00 55.36 56.20 3dca s GLN 71 Cb -0.02 0.16 -0.05 0.00 1.10 0.00 0.00 33.01 34.20 3dca s GLN 71 CO -0.05 -0.10 0.06 0.20 -0.55 0.00 0.00 175.29 174.85 3dca s GLY 72 N 1.57 2.29 -0.17 2.59 0.00 -1.02 -5.02 107.32 107.56 3dca s GLY 72 Ca -0.08 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 42.80 3dca s GLY 72 CO -0.16 -1.87 -0.04 1.62 0.00 0.00 0.00 173.10 172.65 3dca s GLN 73 N -3.84 3.60 0.11 2.90 0.74 -1.26 -3.95 119.66 117.96 3dca s GLN 73 Ca 0.32 -0.55 -0.31 0.00 0.05 0.00 0.00 55.36 54.87 3dca s GLN 73 Cb 0.07 -2.93 -0.10 0.00 1.10 0.00 0.00 33.01 31.15 3dca s GLN 73 CO 0.15 0.14 1.72 0.12 -0.55 0.00 0.00 175.29 176.87 3dca s PHE 74 N 0.62 2.43 -0.05 1.67 5.36 -1.26 -4.87 117.98 121.87 3dca s PHE 74 Ca -0.03 0.22 -0.04 0.00 -0.96 0.00 0.00 56.93 56.13 3dca s PHE 74 Cb -0.14 -4.06 -0.03 0.00 -0.34 0.00 0.00 43.02 38.45 3dca s PHE 74 CO 0.02 -4.26 -0.09 0.39 -1.46 0.00 0.00 175.22 169.83 3dca n GLU 75 N 5.30 0.15 0.00 10.12 1.02 -1.26 -5.07 120.64 130.90 3dca n GLU 75 Ca 0.16 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3dca n GLU 75 Cb 0.39 -0.75 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 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 -3.39 0.00 0.00 -4.62 7.94 -1.26 -5.18 117.00 110.49 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 -4.14 -1.96 7.94 -1.26 -5.12 117.00 112.47 3dca n LEU 78 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 3dca n LEU 78 Cb 0.00 0.04 -0.17 0.00 0.53 0.00 0.00 43.42 43.82 3dca n LEU 78 CO 0.00 -0.04 -0.52 -0.63 -1.11 0.00 0.00 177.39 175.09 3dca s ILE 79 N -1.11 1.61 0.00 1.96 1.01 -1.26 -5.08 121.20 118.34 3dca s ILE 79 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3dca s ILE 79 Cb 0.00 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 41.06 3dca s ILE 79 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3dca n GLY 80 N 3.51 2.36 3.71 6.18 0.00 -1.26 -5.09 105.19 114.60 3dca n GLY 80 Ca -0.20 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.69 4.40 0.52 1.61 0.04 -1.26 -4.94 135.00 133.68 3dca s PRO 81 Ca 0.00 1.82 0.16 0.00 0.04 0.00 0.00 61.00 63.02 3dca s PRO 81 Cb 0.00 -3.36 1.25 0.00 0.04 0.00 0.00 34.50 32.44 3dca s PRO 81 CO 0.00 -0.32 2.14 -0.56 0.04 0.00 0.00 177.00 178.30 3dca h GLN 82 N 6.91 0.03 -0.50 4.56 -0.00 -2.01 -2.04 115.11 122.04 3dca h GLN 82 Ca -0.41 -0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.34 3dca h GLN 82 Cb 1.21 -0.01 -0.10 0.00 -0.00 0.00 0.00 27.48 28.58 3dca h GLN 82 CO 0.83 0.02 -0.29 0.38 -0.00 0.00 0.00 178.83 179.76 3dca h ASP 83 N 0.03 -1.00 -2.62 0.06 3.04 -2.06 -3.41 116.42 110.46 3dca h ASP 83 Ca 0.01 0.20 -0.56 0.00 -3.24 0.00 0.00 57.03 53.44 3dca h ASP 83 Cb 0.03 0.50 0.07 0.00 -1.04 0.00 0.00 39.33 38.89 3dca h ASP 83 CO -0.00 -0.29 0.81 -0.62 -2.04 0.00 0.00 179.24 177.10 3dca n GLU 84 N -5.42 2.34 -3.62 4.15 1.02 -0.77 -5.00 120.64 113.34 3dca n GLU 84 Ca 0.03 0.84 -0.03 0.00 -0.02 0.00 0.00 57.16 57.98 3dca n GLU 84 Cb 0.34 -2.60 -0.05 0.00 -0.02 0.00 0.00 31.44 29.11 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 0.57 -1.11 -0.10 -0.32 -3.43 -1.26 -4.94 115.29 104.69 3dca s HIS 85 Ca 0.73 2.03 -0.04 0.00 -0.80 0.00 0.00 55.06 56.98 3dca s HIS 85 Cb -0.61 0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 3dca s HIS 85 CO 0.41 -0.55 0.06 -1.58 -2.00 0.00 0.00 174.74 171.09 3dca s TRP 86 N 2.30 3.36 -0.20 0.38 0.52 -1.26 -4.76 118.94 119.27 3dca s TRP 86 Ca -0.07 0.34 0.21 0.00 0.02 0.00 0.00 56.10 56.61 3dca s TRP 86 Cb -0.08 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 3dca s TRP 86 CO -0.19 0.59 0.97 -0.25 0.02 0.00 0.00 176.95 178.09 3dca n ASP 87 N 2.08 0.82 -3.76 2.95 8.00 0.58 -4.60 116.55 122.61 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 0.44 -0.15 0.00 -0.02 0.00 0.00 41.12 41.93 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 -0.11 -0.10 1.24 3.76 -0.33 -4.84 115.29 111.65 3dca s HIS 88 Ca -0.01 0.38 0.01 0.00 -0.15 0.00 0.00 55.06 55.28 3dca s HIS 88 Cb 0.09 -0.11 0.02 0.00 1.11 0.00 0.00 32.58 33.69 3dca s HIS 88 CO 0.80 -0.14 -0.09 0.08 -0.85 0.00 0.00 174.74 174.54 3dca s VAL 89 N 1.05 1.08 0.10 -0.90 1.01 -1.25 -1.41 120.40 120.07 3dca s VAL 89 Ca -0.08 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 3dca s VAL 89 Cb -0.11 -1.05 0.08 0.00 0.00 0.00 0.00 36.38 35.30 3dca s VAL 89 CO -0.05 0.36 0.68 0.72 0.00 0.00 0.00 175.10 176.81 3dca s PHE 90 N 1.32 -0.50 -0.22 5.22 -0.71 -0.88 -2.43 117.98 119.77 3dca s PHE 90 Ca -0.02 0.36 0.01 0.00 -1.04 0.00 0.00 56.93 56.24 3dca s PHE 90 Cb -0.14 0.54 0.03 0.00 -1.21 0.00 0.00 43.02 42.25 3dca s PHE 90 CO -0.04 -0.76 -0.14 0.42 -1.34 0.00 0.00 175.22 173.36 3dca s ILE 91 N -3.39 2.26 -0.03 -4.49 1.01 -0.19 -0.65 121.20 115.72 3dca s ILE 91 Ca 0.01 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.38 3dca s ILE 91 Cb -0.01 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3dca s ILE 91 CO -0.10 0.29 0.30 0.00 0.00 0.00 0.00 174.94 175.42 3dca s ALA 92 N 1.24 3.78 -0.10 9.38 0.00 -1.26 -0.83 121.76 133.97 3dca s ALA 92 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 3dca s ALA 92 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 3dca s ALA 92 CO -0.09 0.56 -0.07 -2.00 0.00 0.00 0.00 175.76 174.16 3dca s GLU 93 N -1.21 3.07 0.07 0.00 2.12 0.15 -4.29 118.70 118.60 3dca s GLU 93 Ca 0.22 -0.56 0.07 0.00 0.36 0.00 0.00 54.97 55.06 3dca s GLU 93 Cb -0.14 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 3dca s GLU 93 CO 0.11 0.50 -0.20 0.71 -0.54 0.00 0.00 175.26 175.83 3dca s TYR 94 N -0.35 1.77 -0.70 5.30 1.51 -0.47 -1.37 117.35 123.03 3dca s TYR 94 Ca 0.05 -0.39 0.25 0.00 -1.01 0.00 0.00 57.07 55.97 3dca s TYR 94 Cb -0.12 -1.02 0.91 0.00 -0.11 0.00 0.00 41.96 41.61 3dca s TYR 94 CO 0.02 0.13 1.75 -0.35 -1.11 0.00 0.00 175.55 175.99 3dca n PRO 95 N 1.55 0.18 -3.52 -1.71 -0.04 -1.26 -0.66 135.00 129.54 3dca n PRO 95 Ca -0.18 0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 3dca n PRO 95 Cb 0.53 -1.77 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 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 -4.11 -0.51 0.51 3.54 1.04 -1.26 -4.09 113.70 108.82 3dca s SER 96 Ca 0.08 0.42 0.16 0.00 0.48 0.00 0.00 55.95 57.10 3dca s SER 96 Cb 0.12 0.45 1.23 0.00 0.10 0.00 0.00 66.02 67.92 3dca s SER 96 CO 0.49 -0.57 2.12 1.62 0.98 0.00 0.00 173.24 177.87 3dca h VAL 97 N 2.59 0.98 -0.28 5.02 3.04 -1.84 -1.55 116.25 124.20 3dca h VAL 97 Ca -0.24 -0.03 -0.17 0.00 -1.01 0.00 0.00 66.70 65.25 3dca h VAL 97 Cb 1.18 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 31.35 3dca h VAL 97 CO 0.35 0.01 -0.49 0.00 -1.01 0.00 0.00 177.57 176.44 3dca h ALA 98 N 1.93 0.61 -0.37 3.17 0.00 -1.95 -1.84 119.26 120.81 3dca h ALA 98 Ca 0.06 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.50 3dca h ALA 98 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3dca h ALA 98 CO -0.01 0.68 0.20 0.00 0.00 0.00 0.00 179.25 180.12 3dca h ALA 99 N 0.84 0.45 -0.31 0.00 0.00 -1.65 -1.79 119.26 116.81 3dca h ALA 99 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dca h ALA 99 Cb 1.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3dca h ALA 99 CO 0.10 -0.16 0.18 0.35 0.00 0.00 0.00 179.25 179.73 3dca h PHE 100 N 0.41 0.34 -0.32 0.00 3.57 -1.26 -2.97 116.94 116.71 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 0.03 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3dca h PHE 100 CO -0.09 0.20 0.19 0.28 -2.23 0.00 0.00 178.31 176.67 3dca h VAL 101 N 0.37 1.11 0.00 1.41 2.07 -1.17 -2.68 116.25 117.36 3dca h VAL 101 Ca 0.12 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3dca h VAL 101 Cb -0.01 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3dca h VAL 101 CO -0.05 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.03 3dca n GLU 102 N -4.83 0.00 0.00 1.57 -0.58 -0.69 -2.49 120.64 113.63 3dca n GLU 102 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3dca n GLU 102 Cb 0.05 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 1.02 0.00 0.66 -3.67 2.08 -1.01 -2.94 119.36 115.49 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 -0.07 0.00 -0.75 0.00 0.00 39.64 38.82 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 0.23 -1.90 0.38 1.74 -1.04 -4.58 116.66 111.49 3dca n ARG 105 Ca 0.00 -0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.62 3dca n ARG 105 Cb 0.00 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 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 -3.60 6.58 0.14 0.55 -1.08 -1.15 -4.83 116.67 113.28 3dca s ASP 106 Ca 0.03 2.54 -0.14 0.00 -0.52 0.00 0.00 52.55 54.47 3dca s ASP 106 Cb 0.15 -2.57 0.12 0.00 -1.46 0.00 0.00 42.92 39.16 3dca s ASP 106 CO 0.85 -0.90 1.04 -2.65 0.52 0.00 0.00 175.17 174.03 3dca n PRO 107 N 5.41 -0.19 -0.10 4.34 -0.02 -1.26 0.28 135.00 143.47 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 -0.02 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 1.19 0.74 -1.45 2.07 -1.98 -1.46 116.25 115.35 3dca h VAL 108 Ca 0.21 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3dca h VAL 108 Cb 0.37 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3dca h VAL 108 CO -0.66 0.20 -0.35 0.22 0.02 0.00 0.00 177.57 177.00 3dca h TYR 109 N 0.36 -0.92 -0.94 1.57 3.20 -1.44 -1.90 116.97 116.90 3dca h TYR 109 Ca 0.10 -0.02 0.29 0.00 3.14 0.00 0.00 58.73 62.24 3dca h TYR 109 Cb 0.20 0.30 -0.16 0.00 1.54 0.00 0.00 36.73 38.61 3dca h TYR 109 CO -0.00 -0.57 0.30 0.00 -1.64 0.00 0.00 178.16 176.25 3dca h ARG 110 N -0.99 0.15 -0.31 1.82 3.08 0.10 0.34 114.38 118.58 3dca h ARG 110 Ca -0.10 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 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 0.17 0.10 -0.33 0.93 -1.07 0.00 0.00 179.97 179.77 3dca h GLU 111 N 0.16 0.76 0.00 0.04 4.39 -1.10 -3.28 114.58 115.56 3dca h GLU 111 Ca 0.64 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3dca h GLU 111 Cb 1.41 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 3dca h GLU 111 CO -0.72 1.04 0.00 0.00 -1.16 0.00 0.00 179.01 178.17 3dca h ALA 112 N 0.71 1.00 0.00 3.43 0.00 0.44 -2.61 119.26 122.22 3dca h ALA 112 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3dca h ALA 112 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3dca h ALA 112 CO 0.08 0.00 -0.25 -0.24 0.00 0.00 0.00 179.25 178.84 3dca h VAL 113 N 0.00 0.48 -1.00 0.00 3.04 -1.21 -2.98 116.25 114.58 3dca h VAL 113 Ca 0.00 -1.45 0.20 0.00 -1.01 0.00 0.00 66.70 64.44 3dca h VAL 113 Cb 0.47 2.05 -0.11 0.00 -2.01 0.00 0.00 31.29 31.70 3dca h VAL 113 CO 0.00 0.25 0.61 0.11 -1.01 0.00 0.00 177.57 177.53 3dca h LYS 114 N 0.00 0.70 0.05 4.17 1.57 -1.60 0.53 116.57 121.99 3dca h LYS 114 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dca h LYS 114 Cb 1.03 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3dca h LYS 114 CO 0.03 0.46 -0.02 0.45 -0.57 0.00 0.00 179.45 179.80 3dca h HIS 115 N 0.72 -0.06 -0.70 -1.35 3.86 -1.69 -2.37 115.15 113.56 3dca h HIS 115 Ca 0.59 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.82 3dca h HIS 115 Cb 0.98 0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.43 3dca h HIS 115 CO -0.00 0.07 0.45 -0.09 0.86 0.00 0.00 177.93 179.22 3dca h ARG 116 N -0.18 0.87 -0.76 2.45 2.43 -1.17 -1.44 114.38 116.58 3dca h ARG 116 Ca -0.01 -0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.26 3dca h ARG 116 Cb 0.16 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.46 3dca h ARG 116 CO 0.01 0.57 0.51 1.96 -1.51 0.00 0.00 179.97 181.51 3dca h GLN 117 N 0.89 0.43 0.00 0.20 4.20 0.20 -1.51 115.11 119.52 3dca h GLN 117 Ca 0.27 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3dca h GLN 117 Cb -0.03 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3dca h GLN 117 CO -0.09 0.29 -0.52 0.00 -0.67 0.00 0.00 178.83 177.84 3dca h ALA 118 N 1.64 0.71 0.00 3.87 0.00 -0.76 -3.38 119.26 121.35 3dca h ALA 118 Ca 0.38 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.00 3dca h ALA 118 Cb 0.82 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3dca h ALA 118 CO -0.13 0.00 -2.09 0.00 0.00 0.00 0.00 179.25 177.04 3dca n ALA 119 N -2.02 1.72 -2.68 0.00 0.00 -0.60 -0.88 120.51 116.05 3dca n ALA 119 Ca 0.03 -1.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.03 3dca n ALA 119 Cb 0.50 -0.48 -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 -2.70 4.96 0.02 0.00 1.01 -0.98 -1.04 120.40 121.68 3dca s VAL 120 Ca -0.08 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 3dca s VAL 120 Cb 0.08 -4.06 -0.33 0.00 0.00 0.00 0.00 36.38 32.07 3dca s VAL 120 CO 0.84 0.11 0.94 1.05 0.00 0.00 0.00 175.10 178.04 3dca h GLU 121 N 7.22 0.45 -1.73 2.72 9.09 -1.30 -3.43 114.58 127.59 3dca h GLU 121 Ca -0.33 -0.76 0.03 0.00 0.05 0.00 0.00 59.36 58.34 3dca h GLU 121 Cb 1.15 0.28 -0.22 0.00 -1.65 0.00 0.00 28.75 28.32 3dca h GLU 121 CO 0.80 1.36 0.39 0.34 0.05 0.00 0.00 179.01 181.95 3dca s ASP 122 N -7.41 -0.50 0.17 3.06 2.15 -0.79 -4.40 116.67 108.95 3dca s ASP 122 Ca -0.10 0.63 -0.07 0.00 0.43 0.00 0.00 52.55 53.44 3dca s ASP 122 Cb 0.05 0.52 -0.02 0.00 -0.30 0.00 0.00 42.92 43.18 3dca s ASP 122 CO 0.91 -0.40 0.25 -0.94 -0.17 0.00 0.00 175.17 174.82 3dca s SER 123 N -0.88 0.08 0.02 -0.34 1.04 -0.47 -0.29 113.70 112.86 3dca s SER 123 Ca -0.04 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.46 3dca s SER 123 Cb -0.01 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 3dca s SER 123 CO 0.03 -0.88 -0.09 -0.13 0.98 0.00 0.00 173.24 173.15 3dca s ARG 124 N -4.00 0.68 -0.24 4.02 1.81 0.11 -4.66 118.95 116.66 3dca s ARG 124 Ca 0.20 -0.52 -0.03 0.00 -1.72 0.00 0.00 55.73 53.66 3dca s ARG 124 Cb 0.04 -0.61 0.10 0.00 -0.45 0.00 0.00 34.95 34.02 3dca s ARG 124 CO 0.02 0.15 0.18 -1.17 -0.68 0.00 0.00 175.30 173.80 3dca s LEU 125 N -0.78 0.18 -0.10 2.53 2.96 -1.25 0.41 118.68 122.63 3dca s LEU 125 Ca -0.01 -0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 53.10 3dca s LEU 125 Cb -0.06 0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.63 3dca s LEU 125 CO 0.00 -0.38 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.98 3dca s ILE 126 N 2.22 3.98 -0.20 6.68 1.01 0.15 -4.93 121.20 130.11 3dca s ILE 126 Ca 0.07 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 3dca s ILE 126 Cb -0.15 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3dca s ILE 126 CO -0.24 0.56 0.40 -0.60 0.00 0.00 0.00 174.94 175.06 3dca s ARG 127 N -0.44 4.18 -0.03 2.79 3.52 -1.26 -1.11 118.95 126.61 3dca s ARG 127 Ca 0.07 0.22 0.05 0.00 -0.13 0.00 0.00 55.73 55.93 3dca s ARG 127 Cb -0.12 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 3dca s ARG 127 CO 0.02 -0.03 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.81 3dca s LEU 128 N 1.27 1.96 -0.57 -0.88 1.43 0.78 -4.98 118.68 117.69 3dca s LEU 128 Ca 0.19 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 3dca s LEU 128 Cb -0.15 -0.88 0.07 0.00 0.03 0.00 0.00 46.19 45.26 3dca s LEU 128 CO 0.08 0.17 0.79 -1.59 0.23 0.00 0.00 176.35 176.03 3dca s LYS 129 N -0.16 3.14 0.57 1.70 0.00 -1.26 -1.25 119.74 122.49 3dca s LYS 129 Ca 0.01 -0.85 -0.20 0.00 0.00 0.00 0.00 55.97 54.94 3dca s LYS 129 Cb -0.09 -4.16 -0.05 0.00 0.00 0.00 0.00 37.83 33.53 3dca s LYS 129 CO 0.01 -1.50 1.14 -0.35 0.00 0.00 0.00 175.35 174.65 3dca n PRO 130 N 6.87 1.22 -4.53 1.78 -0.04 -1.26 -5.03 135.00 134.01 3dca n PRO 130 Ca -0.05 0.46 -0.25 0.00 -0.04 0.00 0.00 63.50 63.62 3dca n PRO 130 Cb 0.45 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 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 -2.69 2.35 -0.05 1.53 1.43 -1.26 -5.08 118.68 114.91 3dca s LEU 131 Ca 0.74 -1.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.11 3dca s LEU 131 Cb -0.42 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 3dca s LEU 131 CO 0.47 -0.63 1.31 -1.59 0.23 0.00 0.00 176.35 176.15 3dca s LYS 132 N -3.82 4.30 0.00 1.70 0.00 -1.26 -5.29 119.74 115.37 3dca s LYS 132 Ca 0.32 1.81 0.00 0.00 0.00 0.00 0.00 55.97 58.10 3dca s LYS 132 Cb 0.08 -3.62 0.00 0.00 0.00 0.00 0.00 37.83 34.29 3dca s LYS 132 CO 0.15 -0.56 0.17 -2.30 0.00 0.00 0.00 175.35 172.81