#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d10 s SER 1 N 0.00 1.87 0.26 7.83 1.04 -1.26 -4.77 113.70 118.67 3d10 s SER 1 Ca 0.00 1.24 -0.04 0.00 0.48 0.00 0.00 55.95 57.63 3d10 s SER 1 Cb 0.00 -1.94 0.34 0.00 0.10 0.00 0.00 66.02 64.52 3d10 s SER 1 CO 0.00 -3.61 1.91 -0.33 0.98 0.00 0.00 173.24 172.19 3d10 h GLU 2 N -2.22 1.23 -0.13 4.02 4.39 -2.05 0.05 114.58 119.88 3d10 h GLU 2 Ca -0.57 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.04 3d10 h GLU 2 Cb 1.34 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 3d10 h GLU 2 CO 0.55 0.82 0.02 1.25 -1.16 0.00 0.00 179.01 180.49 3d10 h LEU 3 N 1.27 0.20 -0.61 1.33 5.85 -1.99 0.75 115.31 122.10 3d10 h LEU 3 Ca 0.40 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3d10 h LEU 3 Cb 0.01 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3d10 h LEU 3 CO -0.13 0.40 0.36 -0.33 -0.34 0.00 0.00 178.44 178.40 3d10 h GLU 4 N -0.01 0.68 -0.81 1.25 5.08 -1.88 -0.19 114.58 118.71 3d10 h GLU 4 Ca 0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3d10 h GLU 4 Cb 0.28 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3d10 h GLU 4 CO 0.00 0.45 0.45 0.87 -1.00 0.00 0.00 179.01 179.78 3d10 h LYS 5 N 0.70 1.12 -0.83 2.33 1.57 -0.76 -0.35 116.57 120.36 3d10 h LYS 5 Ca 0.25 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3d10 h LYS 5 Cb 0.07 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 3d10 h LYS 5 CO -0.12 0.83 0.54 0.00 -0.57 0.00 0.00 179.45 180.12 3d10 h ALA 6 N 1.24 1.09 -0.38 3.86 0.00 -0.34 -0.41 119.26 124.31 3d10 h ALA 6 Ca 0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3d10 h ALA 6 Cb 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3d10 h ALA 6 CO -0.05 0.40 0.01 0.52 0.00 0.00 0.00 179.25 180.14 3d10 h MET 7 N 1.07 0.66 -0.34 0.00 2.86 -0.37 -1.14 114.93 117.66 3d10 h MET 7 Ca 0.32 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3d10 h MET 7 Cb -0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3d10 h MET 7 CO -0.10 0.75 -0.01 0.28 1.06 0.00 0.00 176.91 178.89 3d10 h VAL 8 N 0.48 1.20 -0.22 -2.22 2.07 -0.81 -2.49 116.25 114.27 3d10 h VAL 8 Ca 0.11 -0.82 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 3d10 h VAL 8 Cb 0.45 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3d10 h VAL 8 CO 0.02 0.28 -0.39 0.00 0.02 0.00 0.00 177.57 177.50 3d10 h ALA 9 N 1.48 0.92 -0.42 1.67 0.00 -0.31 -0.02 119.26 122.57 3d10 h ALA 9 Ca 0.11 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3d10 h ALA 9 Cb 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3d10 h ALA 9 CO 0.01 0.63 0.26 -0.07 0.00 0.00 0.00 179.25 180.08 3d10 h LEU 10 N 0.41 0.43 -0.47 0.00 3.38 -0.84 0.16 115.31 118.38 3d10 h LEU 10 Ca 0.04 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3d10 h LEU 10 Cb 0.87 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3d10 h LEU 10 CO 0.07 0.31 -0.26 0.40 0.09 0.00 0.00 178.44 179.05 3d10 h ILE 11 N 0.52 1.27 -0.28 1.22 2.04 -0.98 -2.36 117.51 118.95 3d10 h ILE 11 Ca 0.16 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 3d10 h ILE 11 Cb -0.01 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3d10 h ILE 11 CO -0.06 0.49 0.10 0.44 0.00 0.00 0.00 178.15 179.12 3d10 h ASP 12 N 0.83 0.39 -0.60 1.72 3.45 -0.89 -2.63 116.42 118.69 3d10 h ASP 12 Ca 0.10 -0.18 -0.09 0.00 0.43 0.00 0.00 57.03 57.29 3d10 h ASP 12 Cb 0.85 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.49 3d10 h ASP 12 CO 0.07 0.46 0.02 1.62 -1.57 0.00 0.00 179.24 179.84 3d10 h VAL 13 N 0.29 1.26 -0.62 -1.35 3.04 -0.90 -1.49 116.25 116.49 3d10 h VAL 13 Ca 0.09 -1.13 0.10 0.00 -1.01 0.00 0.00 66.70 64.76 3d10 h VAL 13 Cb 0.20 0.78 -0.08 0.00 -2.01 0.00 0.00 31.29 30.18 3d10 h VAL 13 CO -0.01 0.41 0.21 0.15 -1.01 0.00 0.00 177.57 177.32 3d10 h PHE 14 N 0.97 0.36 0.00 3.17 3.57 -1.36 -2.70 116.94 120.95 3d10 h PHE 14 Ca 0.18 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.52 3d10 h PHE 14 Cb 0.53 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3d10 h PHE 14 CO 0.04 0.06 -0.85 0.45 -2.23 0.00 0.00 178.31 175.78 3d10 h HIS 15 N 0.37 0.14 -0.50 0.41 3.86 -1.06 0.22 115.15 118.59 3d10 h HIS 15 Ca 0.32 -0.08 0.04 0.00 -1.16 0.00 0.00 60.37 59.49 3d10 h HIS 15 Cb 0.42 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 3d10 h HIS 15 CO -0.19 0.90 0.27 1.96 0.86 0.00 0.00 177.93 181.73 3d10 h GLN 16 N 0.05 0.51 0.14 2.45 4.20 -1.04 -2.50 115.11 118.92 3d10 h GLN 16 Ca -0.03 -0.03 -0.33 0.00 0.06 0.00 0.00 58.65 58.32 3d10 h GLN 16 Cb 1.49 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.15 3d10 h GLN 16 CO 0.12 0.33 -1.69 1.88 -0.67 0.00 0.00 178.83 178.81 3d10 h TYR 17 N 0.52 0.55 -0.22 2.96 -1.99 -1.34 -3.38 116.97 114.07 3d10 h TYR 17 Ca 0.22 -0.40 -0.11 0.00 2.00 0.00 0.00 58.73 60.43 3d10 h TYR 17 Cb 0.10 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 3d10 h TYR 17 CO -0.09 1.54 -0.32 0.66 -0.00 0.00 0.00 178.16 179.94 3d10 h SER 18 N 0.08 0.47 0.00 3.88 4.64 -0.58 -3.15 113.55 118.90 3d10 h SER 18 Ca -0.31 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3d10 h SER 18 Cb 2.06 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 3d10 h SER 18 CO 0.16 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 3d10 n GLY 19 N -0.24 -0.93 0.13 -0.77 0.00 -0.94 -4.09 105.19 98.35 3d10 n GLY 19 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 3d10 n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d10 h ARG 20 N 0.00 0.37 -3.69 1.61 3.08 -1.73 -3.47 114.38 110.54 3d10 h ARG 20 Ca 0.00 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.63 3d10 h ARG 20 Cb 0.00 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.00 3d10 h ARG 20 CO 0.00 1.00 -0.26 -1.21 -1.07 0.00 0.00 179.97 178.43 3d10 s GLU 21 N -3.42 0.99 6.40 0.04 2.02 -1.26 -5.11 118.70 118.36 3d10 s GLU 21 Ca -0.14 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 53.92 3d10 s GLU 21 Cb 0.03 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.66 3d10 s GLU 21 CO 0.79 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3d10 n GLY 22 N -0.15 2.97 3.60 -1.39 0.00 -1.26 -4.44 105.19 104.52 3d10 n GLY 22 Ca -0.14 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 3d10 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d10 n ASP 23 N 2.31 3.29 0.00 1.61 -0.08 -1.26 -4.83 116.55 117.58 3d10 n ASP 23 Ca 0.00 0.35 0.03 0.00 -1.51 0.00 0.00 54.79 53.66 3d10 n ASP 23 Cb 0.00 -1.52 0.17 0.00 2.34 0.00 0.00 41.12 42.12 3d10 n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3d10 n LYS 24 N 8.46 0.08 -0.13 -0.67 5.02 -1.26 -2.36 118.16 127.30 3d10 n LYS 24 Ca 0.29 0.25 0.06 0.00 -2.02 0.00 0.00 58.31 56.89 3d10 n LYS 24 Cb 0.42 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 34.04 3d10 n LYS 24 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3d10 n HIS 25 N -1.33 0.23 -4.05 2.13 -0.00 -1.26 -2.34 115.22 108.61 3d10 n HIS 25 Ca 0.03 -0.72 -0.13 0.00 0.46 0.00 0.00 57.72 57.36 3d10 n HIS 25 Cb 0.06 -0.12 -0.12 0.00 -0.12 0.00 0.00 29.99 29.69 3d10 n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3d10 s LYS 26 N -1.91 0.41 -0.37 1.57 1.02 -1.00 -4.20 119.74 115.27 3d10 s LYS 26 Ca 0.21 -0.53 -0.25 0.00 0.02 0.00 0.00 55.97 55.43 3d10 s LYS 26 Cb 0.17 -0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.28 3d10 s LYS 26 CO 0.05 0.04 0.86 -0.51 -0.92 0.00 0.00 175.35 174.87 3d10 s LEU 27 N -1.07 4.06 0.82 3.17 1.43 0.90 -4.61 118.68 123.38 3d10 s LEU 27 Ca -0.07 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.37 3d10 s LEU 27 Cb -0.07 -3.15 0.11 0.00 0.03 0.00 0.00 46.19 43.11 3d10 s LEU 27 CO -0.00 -0.81 1.16 -1.59 0.23 0.00 0.00 176.35 175.35 3d10 s LYS 28 N 3.31 1.64 0.23 1.70 -2.85 -1.26 -0.77 119.74 121.73 3d10 s LYS 28 Ca 0.35 -0.21 -0.06 0.00 -1.00 0.00 0.00 55.97 55.05 3d10 s LYS 28 Cb -0.12 -2.01 0.37 0.00 -2.06 0.00 0.00 37.83 34.01 3d10 s LYS 28 CO 0.18 -1.72 1.79 0.87 0.10 0.00 0.00 175.35 176.57 3d10 h LYS 29 N -1.06 0.64 -0.26 1.78 1.57 -1.97 0.16 116.57 117.42 3d10 h LYS 29 Ca -0.44 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 3d10 h LYS 29 Cb 1.30 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3d10 h LYS 29 CO 0.55 0.42 -0.26 0.66 -0.57 0.00 0.00 179.45 180.25 3d10 h SER 30 N 0.66 0.52 -0.26 0.86 4.64 -1.99 -0.37 113.55 117.61 3d10 h SER 30 Ca 0.37 -0.18 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 3d10 h SER 30 Cb 0.38 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3d10 h SER 30 CO -0.27 0.77 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.63 3d10 h GLU 31 N 0.45 0.80 -0.28 4.77 5.08 -1.29 -2.11 114.58 122.01 3d10 h GLU 31 Ca 0.06 -0.52 0.04 0.00 -1.00 0.00 0.00 59.36 57.94 3d10 h GLU 31 Cb 0.70 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 3d10 h GLU 31 CO 0.05 1.15 0.06 1.25 -1.00 0.00 0.00 179.01 180.52 3d10 h LEU 32 N 0.56 0.03 -0.67 1.33 5.85 -0.64 0.17 115.31 121.93 3d10 h LEU 32 Ca 0.01 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3d10 h LEU 32 Cb 1.12 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3d10 h LEU 32 CO 0.11 0.05 0.32 0.50 -0.34 0.00 0.00 178.44 179.09 3d10 h LYS 33 N 0.17 0.98 -0.32 1.25 3.64 -0.96 -0.37 116.57 120.96 3d10 h LYS 33 Ca 0.13 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 3d10 h LYS 33 Cb 0.13 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3d10 h LYS 33 CO -0.17 0.78 -0.38 0.93 -2.27 0.00 0.00 179.45 178.34 3d10 h GLU 34 N 0.94 0.76 -0.14 1.90 4.39 -1.15 -0.11 114.58 121.16 3d10 h GLU 34 Ca 0.23 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3d10 h GLU 34 Cb 0.13 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3d10 h GLU 34 CO -0.03 1.01 0.09 1.25 -1.16 0.00 0.00 179.01 180.17 3d10 h LEU 35 N 0.62 0.16 -0.11 1.33 6.46 -0.25 -1.20 115.31 122.33 3d10 h LEU 35 Ca 0.06 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 3d10 h LEU 35 Cb 0.93 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.81 3d10 h LEU 35 CO 0.08 0.13 0.05 0.40 -0.62 0.00 0.00 178.44 178.48 3d10 h ILE 36 N 0.19 1.13 -0.85 4.05 2.04 -0.84 -0.66 117.51 122.57 3d10 h ILE 36 Ca 0.05 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3d10 h ILE 36 Cb -0.01 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 3d10 h ILE 36 CO -0.01 0.12 0.55 0.78 0.00 0.00 0.00 178.15 179.59 3d10 h ASN 37 N 0.03 0.91 0.38 1.72 -0.26 -0.99 -0.84 115.58 116.54 3d10 h ASN 37 Ca 0.04 -0.01 -0.32 0.00 -0.56 0.00 0.00 56.30 55.45 3d10 h ASN 37 Cb 0.15 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.17 3d10 h ASN 37 CO -0.00 0.63 -1.74 0.78 -1.06 0.00 0.00 177.43 176.03 3d10 h ASN 38 N 1.07 0.23 0.00 5.81 -0.26 -1.21 -3.38 115.58 117.83 3d10 h ASN 38 Ca 0.34 -0.44 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3d10 h ASN 38 Cb 0.01 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 3d10 h ASN 38 CO -0.12 1.39 -0.90 -0.62 -1.06 0.00 0.00 177.43 176.12 3d10 n GLU 39 N -3.29 2.23 -1.14 0.81 -0.58 -0.26 -4.55 120.64 113.87 3d10 n GLU 39 Ca -0.21 -0.04 -0.05 0.00 -0.42 0.00 0.00 57.16 56.44 3d10 n GLU 39 Cb 1.05 -1.10 0.14 0.00 -0.57 0.00 0.00 31.44 30.95 3d10 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3d10 n LEU 40 N -1.50 3.53 0.29 -4.62 4.77 -0.32 -4.85 117.00 114.30 3d10 n LEU 40 Ca 0.00 -4.21 0.15 0.00 -0.03 0.00 0.00 56.01 51.92 3d10 n LEU 40 Cb 0.21 -0.46 0.89 0.00 -2.33 0.00 0.00 43.42 41.73 3d10 n LEU 40 CO 0.22 1.67 1.09 0.77 -1.33 0.00 0.00 177.39 179.80 3d10 h SER 41 N 1.44 0.00 0.22 -1.43 4.64 -1.74 -0.15 113.55 116.53 3d10 h SER 41 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3d10 h SER 41 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3d10 h SER 41 CO 0.28 0.03 -1.13 1.41 -0.87 0.00 0.00 176.83 176.56 3d10 n HIS 42 N -3.72 0.11 -0.01 4.77 8.25 -1.26 -4.30 115.22 119.07 3d10 n HIS 42 Ca -0.03 0.03 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3d10 n HIS 42 Cb 0.13 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 30.92 3d10 n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3d10 n PHE 43 N -1.82 0.00 -4.37 4.41 3.72 -1.02 -5.02 117.46 113.36 3d10 n PHE 43 Ca 0.02 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.22 3d10 n PHE 43 Cb 0.41 -0.13 -0.15 0.00 -0.94 0.00 0.00 39.48 38.67 3d10 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3d10 s LEU 44 N -3.50 1.79 0.15 4.37 1.02 -0.10 -5.06 118.68 117.34 3d10 s LEU 44 Ca -0.02 -0.18 -0.33 0.00 0.02 0.00 0.00 54.13 53.62 3d10 s LEU 44 Cb 0.03 -0.54 -0.13 0.00 0.02 0.00 0.00 46.19 45.57 3d10 s LEU 44 CO 0.20 0.06 1.63 1.21 0.02 0.00 0.00 176.35 179.47 3d10 n GLU 45 N 3.29 2.27 -1.60 1.70 2.13 -1.26 -4.43 120.64 122.75 3d10 n GLU 45 Ca -0.18 0.82 -0.49 0.00 0.66 0.00 0.00 57.16 57.97 3d10 n GLU 45 Cb 0.54 -2.61 -0.04 0.00 0.27 0.00 0.00 31.44 29.60 3d10 n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3d10 n GLU 46 N 3.85 1.33 -3.06 5.31 2.13 -1.26 -4.95 120.64 123.99 3d10 n GLU 46 Ca 0.17 0.48 -0.40 0.00 0.66 0.00 0.00 57.16 58.07 3d10 n GLU 46 Cb 0.30 -2.04 -0.05 0.00 0.27 0.00 0.00 31.44 29.92 3d10 n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3d10 s ILE 47 N -0.00 4.99 0.00 6.31 1.01 -1.26 -4.90 121.20 127.35 3d10 s ILE 47 Ca 0.75 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.72 3d10 s ILE 47 Cb -0.83 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 37.64 3d10 s ILE 47 CO 0.50 0.12 0.27 0.29 0.00 0.00 0.00 174.94 176.11 3d10 n LYS 48 N 4.88 0.02 -4.53 2.79 5.02 -1.26 -4.98 118.16 120.09 3d10 n LYS 48 Ca -0.00 -0.30 -0.24 0.00 -2.02 0.00 0.00 58.31 55.74 3d10 n LYS 48 Cb 0.50 -0.64 -0.17 0.00 -0.02 0.00 0.00 35.03 34.71 3d10 n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3d10 s GLU 49 N -0.07 1.61 0.34 1.97 0.41 -1.26 -5.04 118.70 116.66 3d10 s GLU 49 Ca 0.00 -0.38 0.13 0.00 -0.41 0.00 0.00 54.97 54.31 3d10 s GLU 49 Cb 0.00 -1.36 1.07 0.00 -1.78 0.00 0.00 34.13 32.07 3d10 s GLU 49 CO 0.00 0.01 1.63 0.37 -0.49 0.00 0.00 175.26 176.78 3d10 h GLN 50 N 7.01 0.18 0.00 1.61 5.75 -2.00 -1.13 115.11 126.53 3d10 h GLN 50 Ca -0.32 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.13 3d10 h GLN 50 Cb 1.18 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 3d10 h GLN 50 CO 0.47 0.12 -0.22 1.05 -2.65 0.00 0.00 178.83 177.60 3d10 h GLU 51 N 0.19 0.00 -0.05 1.69 4.11 -1.99 -1.06 114.58 117.47 3d10 h GLU 51 Ca 0.73 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 60.07 3d10 h GLU 51 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 3d10 h GLU 51 CO -0.69 0.22 -0.29 0.28 0.07 0.00 0.00 179.01 178.60 3d10 h VAL 52 N 0.00 1.45 -0.55 -1.06 2.07 -1.64 -1.58 116.25 114.95 3d10 h VAL 52 Ca -0.00 -1.76 0.11 0.00 0.82 0.00 0.00 66.70 65.87 3d10 h VAL 52 Cb 0.53 2.44 -0.10 0.00 -1.52 0.00 0.00 31.29 32.64 3d10 h VAL 52 CO 0.03 0.50 -0.11 0.58 0.02 0.00 0.00 177.57 178.58 3d10 h VAL 53 N -0.26 0.46 -0.45 2.57 2.07 -1.42 -1.54 116.25 117.68 3d10 h VAL 53 Ca -0.02 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3d10 h VAL 53 Cb 0.96 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3d10 h VAL 53 CO 0.06 0.00 0.24 0.44 0.02 0.00 0.00 177.57 178.33 3d10 h ASP 54 N 0.02 0.57 -0.30 0.57 3.32 -1.10 -1.72 116.42 117.78 3d10 h ASP 54 Ca 0.27 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 3d10 h ASP 54 Cb 0.42 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3d10 h ASP 54 CO -0.55 0.51 -0.39 0.50 -1.72 0.00 0.00 179.24 177.59 3d10 h LYS 55 N 0.59 0.85 -0.13 3.56 1.63 -1.12 -1.02 116.57 120.93 3d10 h LYS 55 Ca 0.16 -0.44 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 3d10 h LYS 55 Cb 0.07 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 3d10 h LYS 55 CO -0.02 1.09 0.03 0.28 -3.45 0.00 0.00 179.45 177.38 3d10 h VAL 56 N 0.70 1.20 -0.04 2.00 2.07 -0.86 -1.46 116.25 119.86 3d10 h VAL 56 Ca 0.06 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.00 3d10 h VAL 56 Cb 0.96 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 3d10 h VAL 56 CO 0.09 0.18 -0.40 -0.03 0.02 0.00 0.00 177.57 177.43 3d10 h MET 57 N 0.01 -0.51 -1.01 1.57 1.85 -1.36 -1.68 114.93 113.80 3d10 h MET 57 Ca 0.04 0.03 0.24 0.00 -0.61 0.00 0.00 59.70 59.40 3d10 h MET 57 Cb 0.25 0.12 -0.12 0.00 0.43 0.00 0.00 31.60 32.28 3d10 h MET 57 CO 0.00 -0.34 0.61 1.49 -0.40 0.00 0.00 176.91 178.27 3d10 h GLU 58 N -0.53 0.57 -0.09 0.39 4.81 -1.04 -0.41 114.58 118.29 3d10 h GLU 58 Ca 0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3d10 h GLU 58 Cb 0.63 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3d10 h GLU 58 CO -0.33 0.38 -0.04 1.15 -0.73 0.00 0.00 179.01 179.43 3d10 h THR 59 N 0.59 1.32 0.00 0.32 2.02 -0.94 -3.29 112.91 112.92 3d10 h THR 59 Ca 0.62 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3d10 h THR 59 Cb 1.20 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 3d10 h THR 59 CO -0.43 0.30 -0.43 0.00 0.37 0.00 0.00 175.52 175.32 3d10 n LEU 60 N -4.74 0.73 -4.52 2.58 -0.00 -0.59 -4.75 117.00 105.71 3d10 n LEU 60 Ca -0.07 0.33 -0.42 0.00 -0.00 0.00 0.00 56.01 55.85 3d10 n LEU 60 Cb 0.26 -0.23 -0.03 0.00 -0.00 0.00 0.00 43.42 43.43 3d10 n LEU 60 CO 0.36 -0.09 1.19 -0.62 -0.00 0.00 0.00 177.39 178.23 3d10 s ASP 61 N -4.29 6.41 0.17 1.45 2.15 -0.27 -4.83 116.67 117.46 3d10 s ASP 61 Ca 0.08 -1.30 0.15 0.00 0.43 0.00 0.00 52.55 51.91 3d10 s ASP 61 Cb 0.13 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.20 3d10 s ASP 61 CO 0.68 -1.47 1.17 0.78 -0.17 0.00 0.00 175.17 176.16 3d10 h ASN 62 N 9.60 0.00 -0.21 -0.34 -0.26 -1.88 -3.25 115.58 119.25 3d10 h ASN 62 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3d10 h ASN 62 Cb 1.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.29 3d10 h ASN 62 CO 1.29 0.59 0.00 -0.90 -1.06 0.00 0.00 177.43 177.35 3d10 n ASP 63 N -3.10 3.13 -1.19 5.81 3.85 -1.26 -4.99 116.55 118.79 3d10 n ASP 63 Ca -0.03 -1.97 -0.16 0.00 -0.71 0.00 0.00 54.79 51.92 3d10 n ASP 63 Cb 0.80 -0.13 -0.07 0.00 -1.35 0.00 0.00 41.12 40.38 3d10 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d10 n GLY 64 N 1.42 1.56 0.30 6.12 0.00 -1.23 -4.86 105.19 108.49 3d10 n GLY 64 Ca 0.17 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.00 3d10 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d10 n ASP 65 N -0.70 0.83 -0.43 1.61 5.75 -1.26 -4.88 116.55 117.47 3d10 n ASP 65 Ca -0.16 -2.02 -0.06 0.00 -0.01 0.00 0.00 54.79 52.55 3d10 n ASP 65 Cb 0.54 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 3d10 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d10 n GLY 66 N 0.64 0.70 3.24 6.12 0.00 -1.26 -4.98 105.19 109.65 3d10 n GLY 66 Ca 0.04 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 3d10 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d10 s GLU 67 N -2.06 1.09 -0.29 1.61 2.02 -1.26 -4.59 118.70 115.22 3d10 s GLU 67 Ca 0.00 -1.51 -0.08 0.00 0.02 0.00 0.00 54.97 53.39 3d10 s GLU 67 Cb 0.00 -0.32 -0.01 0.00 0.10 0.00 0.00 34.13 33.90 3d10 s GLU 67 CO 0.00 -0.10 0.12 0.00 0.02 0.00 0.00 175.26 175.30 3d10 n ASP 69 N 4.94 1.06 -0.27 0.00 5.68 -1.26 -0.07 116.55 126.63 3d10 n ASP 69 Ca -0.15 -1.90 0.02 0.00 -0.50 0.00 0.00 54.79 52.26 3d10 n ASP 69 Cb 0.49 -0.53 0.15 0.00 -1.14 0.00 0.00 41.12 40.09 3d10 n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3d10 h PHE 70 N -0.60 0.78 -0.29 2.11 3.57 -2.00 0.18 116.94 120.69 3d10 h PHE 70 Ca -0.27 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.15 3d10 h PHE 70 Cb 0.99 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3d10 h PHE 70 CO 0.00 0.32 -0.27 0.37 -2.23 0.00 0.00 178.31 176.50 3d10 h GLN 71 N 0.74 0.58 -0.25 1.11 5.75 -1.97 0.92 115.11 122.00 3d10 h GLN 71 Ca 0.37 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.52 3d10 h GLN 71 Cb 0.33 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 3d10 h GLN 71 CO -0.24 0.80 -0.34 0.93 -2.65 0.00 0.00 178.83 177.32 3d10 h GLU 72 N 0.51 0.53 -0.61 1.69 5.08 -1.82 -2.30 114.58 117.66 3d10 h GLU 72 Ca 0.07 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3d10 h GLU 72 Cb 0.73 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3d10 h GLU 72 CO 0.06 0.80 0.29 0.35 -1.00 0.00 0.00 179.01 179.51 3d10 h PHE 73 N 0.45 0.88 -0.34 4.33 3.57 -0.25 -0.40 116.94 125.18 3d10 h PHE 73 Ca 0.05 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3d10 h PHE 73 Cb 0.81 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 3d10 h PHE 73 CO 0.03 0.67 -0.02 0.52 -2.23 0.00 0.00 178.31 177.28 3d10 h MET 74 N 0.84 0.07 -0.82 1.11 2.86 -0.67 0.88 114.93 119.19 3d10 h MET 74 Ca 0.21 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 3d10 h MET 74 Cb 0.12 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 3d10 h MET 74 CO -0.03 0.05 0.51 0.00 1.06 0.00 0.00 176.91 178.50 3d10 h ALA 75 N 1.30 1.11 -0.28 6.32 0.00 -1.13 -0.23 119.26 126.35 3d10 h ALA 75 Ca 0.16 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3d10 h ALA 75 Cb 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3d10 h ALA 75 CO -0.29 0.28 -0.23 0.35 0.00 0.00 0.00 179.25 179.36 3d10 h PHE 76 N 0.96 -0.61 -0.74 0.00 3.57 -0.34 -0.91 116.94 118.87 3d10 h PHE 76 Ca 0.35 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.94 3d10 h PHE 76 Cb 0.12 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 3d10 h PHE 76 CO -0.03 -0.31 0.45 0.28 -2.23 0.00 0.00 178.31 176.46 3d10 h VAL 77 N -0.22 1.05 -0.91 1.41 2.07 -0.54 -1.60 116.25 117.52 3d10 h VAL 77 Ca 0.15 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3d10 h VAL 77 Cb 0.45 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3d10 h VAL 77 CO -0.41 0.15 0.59 0.00 0.02 0.00 0.00 177.57 177.93 3d10 h ALA 78 N 1.34 1.15 -0.31 1.67 0.00 -0.69 0.51 119.26 122.93 3d10 h ALA 78 Ca 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3d10 h ALA 78 Cb 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3d10 h ALA 78 CO -0.14 0.56 0.08 1.98 0.00 0.00 0.00 179.25 181.72 3d10 h MET 79 N 1.23 0.50 -0.15 0.00 -1.53 -0.54 0.51 114.93 114.95 3d10 h MET 79 Ca 0.33 -0.12 -0.03 0.00 -3.44 0.00 0.00 59.70 56.44 3d10 h MET 79 Cb -0.13 -0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 30.85 3d10 h MET 79 CO -0.07 0.57 -0.02 0.28 0.14 0.00 0.00 176.91 177.81 3d10 h VAL 80 N 0.34 1.27 -0.80 -5.77 2.07 -1.08 -1.22 116.25 111.07 3d10 h VAL 80 Ca 0.10 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3d10 h VAL 80 Cb 0.29 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3d10 h VAL 80 CO 0.00 0.27 0.51 0.74 0.02 0.00 0.00 177.57 179.11 3d10 h THR 81 N -0.01 1.14 -0.36 2.57 2.02 -0.90 -1.41 112.91 115.96 3d10 h THR 81 Ca 0.04 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 3d10 h THR 81 Cb 0.42 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3d10 h THR 81 CO 0.01 0.18 -0.13 0.74 0.37 0.00 0.00 175.52 176.70 3d10 h THR 82 N 1.01 1.25 -0.44 3.16 2.02 -0.73 0.18 112.91 119.35 3d10 h THR 82 Ca 0.31 -1.11 -0.14 0.00 0.77 0.00 0.00 66.41 66.24 3d10 h THR 82 Cb -0.01 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3d10 h THR 82 CO -0.10 0.37 -0.29 0.00 0.37 0.00 0.00 175.52 175.87 3d10 h ALA 83 N 1.29 0.63 -0.40 6.16 0.00 -1.01 -1.43 119.26 124.51 3d10 h ALA 83 Ca 0.10 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 3d10 h ALA 83 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3d10 h ALA 83 CO 0.03 0.67 -0.36 0.00 0.00 0.00 0.00 179.25 179.60 3d10 h HIS 85 N 0.77 -1.14 -0.38 0.00 6.17 -0.56 -3.27 115.15 116.74 3d10 h HIS 85 Ca 0.07 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.07 3d10 h HIS 85 Cb 0.94 0.46 -0.02 0.00 2.52 0.00 0.00 27.41 31.31 3d10 h HIS 85 CO 0.06 -0.55 -0.16 0.93 0.71 0.00 0.00 177.93 178.92 3d10 h GLU 86 N -0.77 0.71 -0.58 5.26 4.39 -1.18 -2.85 114.58 119.56 3d10 h GLU 86 Ca -0.02 -0.25 0.17 0.00 0.34 0.00 0.00 59.36 59.60 3d10 h GLU 86 Cb 0.72 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 3d10 h GLU 86 CO -0.12 0.84 0.44 0.35 -1.16 0.00 0.00 179.01 179.35 3d10 h PHE 87 N 0.64 0.00 -0.01 4.33 3.04 -1.27 -0.11 116.94 123.56 3d10 h PHE 87 Ca 0.10 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.05 3d10 h PHE 87 Cb 0.64 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.15 3d10 h PHE 87 CO 0.03 0.00 -0.47 1.19 -2.02 0.00 0.00 178.31 177.04 3d10 n PHE 88 N -4.25 0.00 -4.65 0.41 3.01 -1.08 -4.92 117.46 105.98 3d10 n PHE 88 Ca 0.11 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.26 3d10 n PHE 88 Cb 0.68 -0.11 -0.12 0.00 -0.01 0.00 0.00 39.48 39.92 3d10 n PHE 88 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3d10 s GLU 89 N -2.69 2.22 0.39 -1.08 2.02 -0.06 -4.17 118.70 115.34 3d10 s GLU 89 Ca 0.17 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.29 3d10 s GLU 89 Cb 0.18 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 3d10 s GLU 89 CO 0.63 0.56 0.59 -3.38 0.02 0.00 0.00 175.26 173.67 3d10 s HIS 90 N -0.92 3.31 0.00 1.61 0.00 -1.26 -4.93 115.29 113.10 3d10 s HIS 90 Ca 0.15 0.20 0.00 0.00 -3.00 0.00 0.00 55.06 52.40 3d10 s HIS 90 Cb -0.11 -2.09 0.00 0.00 -4.00 0.00 0.00 32.58 26.38 3d10 s HIS 90 CO 0.05 -0.11 0.00 0.39 -1.00 0.00 0.00 174.74 174.07