#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dt7 n SER 1 N 0.00 -5.54 -0.20 7.83 7.64 -1.26 -4.77 113.62 117.31 1dt7 n SER 1 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1dt7 n SER 1 Cb 0.00 -4.49 0.00 0.00 -1.01 0.00 0.00 64.21 58.71 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1dt7 n GLU 2 N -1.77 0.71 -0.21 1.43 0.28 -1.26 -3.85 120.64 115.98 1dt7 n GLU 2 Ca -0.16 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.84 1dt7 n GLU 2 Cb 0.63 -1.14 0.26 0.00 1.43 0.00 0.00 31.44 32.62 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1dt7 h LEU 3 N 0.12 0.84 -1.06 -1.84 5.85 -2.00 -2.38 115.31 114.84 1dt7 h LEU 3 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1dt7 h LEU 3 Cb 0.14 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1dt7 h LEU 3 CO 0.00 0.61 0.55 -0.08 -0.34 0.00 0.00 178.44 179.17 1dt7 h GLU 4 N 0.99 1.19 -0.28 1.25 4.81 -1.99 -1.75 114.58 118.80 1dt7 h GLU 4 Ca 0.27 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 1dt7 h GLU 4 Cb -0.11 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.01 1dt7 h GLU 4 CO -0.06 0.82 -0.43 0.87 -0.73 0.00 0.00 179.01 179.48 1dt7 h LYS 5 N 1.21 0.70 -0.50 1.92 6.56 -1.74 -2.84 116.57 121.87 1dt7 h LYS 5 Ca 0.32 -0.38 -0.11 0.00 -1.06 0.00 0.00 60.65 59.42 1dt7 h LYS 5 Cb -0.08 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.59 1dt7 h LYS 5 CO -0.06 0.99 -0.13 0.00 -2.06 0.00 0.00 179.45 178.19 1dt7 h ALA 6 N 0.95 0.70 -0.82 3.86 0.00 -1.16 -2.06 119.26 120.73 1dt7 h ALA 6 Ca 0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1dt7 h ALA 6 Cb 0.97 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1dt7 h ALA 6 CO 0.09 0.62 0.35 0.52 0.00 0.00 0.00 179.25 180.83 1dt7 h MET 7 N 0.84 1.20 -0.81 0.00 2.86 -1.30 -1.88 114.93 115.84 1dt7 h MET 7 Ca 0.13 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1dt7 h MET 7 Cb 0.70 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 1dt7 h MET 7 CO 0.05 0.95 0.34 0.28 1.06 0.00 0.00 176.91 179.59 1dt7 h VAL 8 N 1.18 1.26 -0.85 -2.22 2.07 -1.33 -2.74 116.25 113.62 1dt7 h VAL 8 Ca 0.28 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1dt7 h VAL 8 Cb 0.18 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1dt7 h VAL 8 CO -0.03 0.33 0.44 0.00 0.02 0.00 0.00 177.57 178.33 1dt7 h ALA 9 N 1.19 1.16 -1.01 1.67 0.00 -0.63 -1.92 119.26 119.73 1dt7 h ALA 9 Ca 0.27 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1dt7 h ALA 9 Cb 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1dt7 h ALA 9 CO -0.03 0.65 0.66 -0.07 0.00 0.00 0.00 179.25 180.47 1dt7 h LEU 10 N 1.21 1.13 -0.53 0.00 4.07 -1.11 -1.93 115.31 118.15 1dt7 h LEU 10 Ca 0.30 -0.02 -0.14 0.00 0.08 0.00 0.00 57.88 58.10 1dt7 h LEU 10 Cb 0.08 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1dt7 h LEU 10 CO -0.04 0.79 -0.31 0.40 -1.08 0.00 0.00 178.44 178.20 1dt7 h ILE 11 N 1.32 1.28 -0.39 1.22 2.04 -1.38 -2.50 117.51 119.10 1dt7 h ILE 11 Ca 0.39 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1dt7 h ILE 11 Cb -0.08 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1dt7 h ILE 11 CO -0.10 0.49 0.19 0.44 0.00 0.00 0.00 178.15 179.17 1dt7 h ASP 12 N 0.73 0.50 -0.35 1.72 3.32 -0.60 -2.50 116.42 119.22 1dt7 h ASP 12 Ca 0.08 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 56.85 1dt7 h ASP 12 Cb 0.87 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1dt7 h ASP 12 CO 0.08 0.47 -0.41 1.62 -1.72 0.00 0.00 179.24 179.28 1dt7 h VAL 13 N 0.49 1.27 -1.00 -1.35 3.04 -1.45 -3.05 116.25 114.20 1dt7 h VAL 13 Ca 0.13 -1.59 0.02 0.00 -1.01 0.00 0.00 66.70 64.26 1dt7 h VAL 13 Cb 0.10 1.42 -0.05 0.00 -2.01 0.00 0.00 31.29 30.75 1dt7 h VAL 13 CO -0.02 0.53 0.66 0.15 -1.01 0.00 0.00 177.57 177.88 1dt7 h PHE 14 N 0.74 1.25 0.00 3.17 3.04 -1.34 -0.67 116.94 123.13 1dt7 h PHE 14 Ca 0.05 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1dt7 h PHE 14 Cb 1.00 -0.42 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 1dt7 h PHE 14 CO 0.06 0.76 -0.14 1.25 -2.02 0.00 0.00 178.31 178.22 1dt7 h HIS 15 N 1.32 0.00 -0.61 0.41 2.76 -1.34 -1.54 115.15 116.15 1dt7 h HIS 15 Ca 0.38 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.53 1dt7 h HIS 15 Cb -0.10 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 1dt7 h HIS 15 CO -0.00 0.14 0.30 1.96 -1.30 0.00 0.00 177.93 179.04 1dt7 h GLN 16 N 0.00 0.88 0.11 5.26 1.08 -1.05 -2.28 115.11 119.11 1dt7 h GLN 16 Ca -0.00 -0.12 -0.34 0.00 -1.45 0.00 0.00 58.65 56.73 1dt7 h GLN 16 Cb 0.39 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1dt7 h GLN 16 CO 0.02 0.70 -1.84 1.88 -0.95 0.00 0.00 178.83 178.63 1dt7 h TYR 17 N 0.84 0.43 -0.70 2.96 -1.99 -1.53 -3.28 116.97 113.69 1dt7 h TYR 17 Ca 0.21 -0.31 -0.03 0.00 2.00 0.00 0.00 58.73 60.60 1dt7 h TYR 17 Cb 0.10 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 1dt7 h TYR 17 CO -0.00 1.73 0.33 1.03 -0.00 0.00 0.00 178.16 181.24 1dt7 h SER 18 N -0.11 0.92 0.71 3.88 0.87 -1.36 -2.11 113.55 116.37 1dt7 h SER 18 Ca -0.40 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1dt7 h SER 18 Cb 1.92 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1dt7 h SER 18 CO 0.05 0.80 -0.00 0.61 -0.53 0.00 0.00 176.83 177.76 1dt7 n GLY 19 N -0.95 -1.36 0.14 5.77 0.00 -0.86 -2.93 105.19 105.00 1dt7 n GLY 19 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1dt7 n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1dt7 h ARG 20 N 0.01 0.39 -5.57 1.61 2.43 -1.44 -3.45 114.38 108.36 1dt7 h ARG 20 Ca 0.00 -0.03 -0.63 0.00 -0.81 0.00 0.00 59.98 58.52 1dt7 h ARG 20 Cb 0.36 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 29.72 1dt7 h ARG 20 CO 0.00 0.27 -0.49 -1.83 -1.51 0.00 0.00 179.97 176.40 1dt7 s GLU 21 N -6.14 2.16 0.58 0.20 -1.05 -1.24 -5.00 118.70 108.20 1dt7 s GLU 21 Ca -0.13 -2.16 0.30 0.00 -0.15 0.00 0.00 54.97 52.84 1dt7 s GLU 21 Cb 0.09 -1.74 1.41 0.00 -0.44 0.00 0.00 34.13 33.45 1dt7 s GLU 21 CO 0.71 -0.28 1.78 0.78 0.95 0.00 0.00 175.26 179.19 1dt7 h GLY 22 N 1.36 0.00 -4.43 -3.83 0.00 -1.86 -3.00 103.07 91.30 1dt7 h GLY 22 Ca -0.43 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1dt7 h GLY 22 CO 0.72 0.00 0.12 1.22 0.00 0.00 0.00 176.54 178.60 1dt7 n ASP 23 N -3.77 2.11 -0.25 0.19 8.00 -1.26 -4.35 116.55 117.21 1dt7 n ASP 23 Ca 0.15 -1.84 -0.07 0.00 0.71 0.00 0.00 54.79 53.75 1dt7 n ASP 23 Cb 0.96 -0.55 0.05 0.00 -0.02 0.00 0.00 41.12 41.55 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1dt7 h LYS 24 N 4.47 1.07 -0.14 -1.24 3.64 -1.40 -2.80 116.57 120.17 1dt7 h LYS 24 Ca 0.06 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1dt7 h LYS 24 Cb 0.57 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1dt7 h LYS 24 CO 0.33 0.92 0.00 0.72 -2.27 0.00 0.00 179.45 179.14 1dt7 n HIS 25 N -4.32 0.17 -3.81 1.91 8.25 -1.26 -4.62 115.22 111.54 1dt7 n HIS 25 Ca 0.05 -0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 1dt7 n HIS 25 Cb 0.21 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 1dt7 n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1dt7 s LYS 26 N -1.83 0.91 -0.21 -0.41 -2.85 -1.06 -4.56 119.74 109.72 1dt7 s LYS 26 Ca 0.34 -0.91 -0.05 0.00 -1.00 0.00 0.00 55.97 54.36 1dt7 s LYS 26 Cb 0.19 0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 36.32 1dt7 s LYS 26 CO 0.29 -0.31 -0.01 -1.17 0.10 0.00 0.00 175.35 174.26 1dt7 s LEU 27 N -2.85 3.16 -0.04 2.77 1.98 -0.74 -4.68 118.68 118.30 1dt7 s LEU 27 Ca 0.05 -0.26 -0.03 0.00 -2.89 0.00 0.00 54.13 51.00 1dt7 s LEU 27 Cb 0.04 -1.81 -0.04 0.00 0.66 0.00 0.00 46.19 45.04 1dt7 s LEU 27 CO -0.11 0.03 0.12 -0.75 -1.89 0.00 0.00 176.35 173.75 1dt7 s LYS 28 N 1.21 3.26 0.61 1.98 2.20 -1.26 -0.62 119.74 127.12 1dt7 s LYS 28 Ca 0.03 -0.35 0.14 0.00 -0.36 0.00 0.00 55.97 55.43 1dt7 s LYS 28 Cb -0.15 -3.00 0.47 0.00 -1.51 0.00 0.00 37.83 33.65 1dt7 s LYS 28 CO 0.01 0.69 1.12 1.17 -0.36 0.00 0.00 175.35 177.97 1dt7 n LYS 29 N 1.34 0.02 -0.06 4.03 4.81 -1.12 0.18 118.16 127.36 1dt7 n LYS 29 Ca -0.14 0.95 -0.14 0.00 -0.87 0.00 0.00 58.31 58.11 1dt7 n LYS 29 Cb 0.53 -2.46 -0.12 0.00 0.02 0.00 0.00 35.03 32.99 1dt7 n LYS 29 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1dt7 h SER 30 N 0.00 0.00 -0.25 3.14 0.02 -1.92 -2.82 113.55 111.73 1dt7 h SER 30 Ca 0.26 -0.90 -0.05 0.00 -0.84 0.00 0.00 61.79 60.26 1dt7 h SER 30 Cb 2.42 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.94 1dt7 h SER 30 CO -0.00 0.90 0.00 -0.33 -1.14 0.00 0.00 176.83 176.26 1dt7 h GLU 31 N -0.89 0.55 -0.54 3.45 5.08 0.16 -2.54 114.58 119.85 1dt7 h GLU 31 Ca -0.00 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1dt7 h GLU 31 Cb 0.90 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1dt7 h GLU 31 CO 0.00 0.57 0.35 1.25 -1.00 0.00 0.00 179.01 180.19 1dt7 h LEU 32 N 0.53 0.61 -0.66 1.33 5.85 -0.89 -1.77 115.31 120.32 1dt7 h LEU 32 Ca 0.11 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1dt7 h LEU 32 Cb 0.34 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1dt7 h LEU 32 CO 0.01 0.44 0.00 0.50 -0.34 0.00 0.00 178.44 179.05 1dt7 h LYS 33 N 0.72 1.05 -0.08 1.25 3.64 -1.19 -2.26 116.57 119.70 1dt7 h LYS 33 Ca 0.20 -0.33 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 1dt7 h LYS 33 Cb -0.07 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1dt7 h LYS 33 CO -0.05 1.02 -0.43 1.49 -2.27 0.00 0.00 179.45 179.22 1dt7 h GLU 34 N 0.96 0.17 0.09 1.90 4.81 -1.17 0.30 114.58 121.65 1dt7 h GLU 34 Ca 0.17 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1dt7 h GLU 34 Cb 0.55 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1dt7 h GLU 34 CO 0.03 0.57 -0.05 1.25 -0.73 0.00 0.00 179.01 180.09 1dt7 h LEU 35 N 0.14 -0.11 -0.20 1.64 6.46 -1.17 -0.71 115.31 121.37 1dt7 h LEU 35 Ca 0.01 -0.35 -0.05 0.00 -0.12 0.00 0.00 57.88 57.37 1dt7 h LEU 35 Cb 0.82 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1dt7 h LEU 35 CO 0.06 0.32 -0.07 0.40 -0.62 0.00 0.00 178.44 178.53 1dt7 h ILE 36 N -0.55 1.30 -0.36 4.05 2.04 -1.27 0.58 117.51 123.29 1dt7 h ILE 36 Ca -0.01 -1.09 -0.16 0.00 1.00 0.00 0.00 64.86 64.60 1dt7 h ILE 36 Cb 0.45 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1dt7 h ILE 36 CO 0.02 0.33 -0.42 -1.13 0.00 0.00 0.00 178.15 176.96 1dt7 h ASN 37 N 0.11 0.99 0.04 1.72 -0.73 -0.47 -3.03 115.58 114.21 1dt7 h ASN 37 Ca 0.05 -0.48 -0.38 0.00 1.87 0.00 0.00 56.30 57.36 1dt7 h ASN 37 Cb 0.53 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 38.78 1dt7 h ASN 37 CO 0.02 1.27 -2.35 -3.20 -0.37 0.00 0.00 177.43 172.80 1dt7 n ASN 38 N -4.06 1.43 0.04 1.15 4.05 -0.28 -3.69 115.26 113.91 1dt7 n ASN 38 Ca -0.03 -0.03 0.13 0.00 0.45 0.00 0.00 54.58 55.11 1dt7 n ASN 38 Cb 0.56 -0.09 0.48 0.00 1.23 0.00 0.00 39.78 41.97 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1dt7 n GLU 39 N -3.14 0.12 -2.97 1.20 2.13 0.20 -3.98 120.64 114.19 1dt7 n GLU 39 Ca -0.39 0.09 -0.15 0.00 0.66 0.00 0.00 57.16 57.36 1dt7 n GLU 39 Cb 1.04 -1.63 -0.01 0.00 0.27 0.00 0.00 31.44 31.12 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1dt7 n LEU 40 N -1.83 1.25 -0.37 4.31 4.77 -1.15 -4.90 117.00 119.08 1dt7 n LEU 40 Ca 0.06 -4.54 -0.02 0.00 -0.03 0.00 0.00 56.01 51.48 1dt7 n LEU 40 Cb 0.38 0.55 0.11 0.00 -2.33 0.00 0.00 43.42 42.12 1dt7 n LEU 40 CO 0.29 2.01 1.28 0.28 -1.33 0.00 0.00 177.39 179.93 1dt7 h SER 41 N 2.99 1.14 0.00 -1.43 0.02 -1.69 -3.26 113.55 111.32 1dt7 h SER 41 Ca 0.03 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1dt7 h SER 41 Cb 1.03 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1dt7 h SER 41 CO 0.52 0.83 -0.74 1.41 -1.14 0.00 0.00 176.83 177.71 1dt7 n HIS 42 N -4.39 0.00 -0.14 3.45 8.25 -1.26 -4.22 115.22 116.91 1dt7 n HIS 42 Ca 0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.50 1dt7 n HIS 42 Cb 0.02 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.20 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1dt7 h PHE 43 N 0.00 0.99 -3.05 4.41 3.57 -1.91 -3.44 116.94 117.51 1dt7 h PHE 43 Ca 0.00 -0.19 -0.47 0.00 3.53 0.00 0.00 57.97 60.84 1dt7 h PHE 43 Cb 0.05 -0.25 -0.16 0.00 2.79 0.00 0.00 35.95 38.38 1dt7 h PHE 43 CO 0.00 0.95 -0.75 -1.17 -2.23 0.00 0.00 178.31 175.11 1dt7 s LEU 44 N -9.11 2.51 -0.34 0.59 2.96 -1.23 -5.05 118.68 109.01 1dt7 s LEU 44 Ca -0.10 -0.96 -0.33 0.00 -0.22 0.00 0.00 54.13 52.52 1dt7 s LEU 44 Cb 0.13 -0.71 -0.10 0.00 0.50 0.00 0.00 46.19 46.01 1dt7 s LEU 44 CO 0.84 -0.13 2.22 1.21 -1.32 0.00 0.00 176.35 179.18 1dt7 n GLU 45 N -0.11 1.23 -1.77 1.98 4.07 -1.26 -4.64 120.64 120.14 1dt7 n GLU 45 Ca -0.10 0.32 -0.41 0.00 -0.06 0.00 0.00 57.16 56.91 1dt7 n GLU 45 Cb 0.59 -2.65 0.01 0.00 -0.06 0.00 0.00 31.44 29.32 1dt7 n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1dt7 n GLU 46 N 8.38 2.57 -3.92 5.31 2.13 -1.26 -4.96 120.64 128.89 1dt7 n GLU 46 Ca 0.39 0.90 -0.35 0.00 0.66 0.00 0.00 57.16 58.77 1dt7 n GLU 46 Cb 0.29 -2.67 -0.09 0.00 0.27 0.00 0.00 31.44 29.24 1dt7 n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1dt7 s ILE 47 N -1.14 5.05 -0.02 6.31 1.01 -1.26 -4.98 121.20 126.17 1dt7 s ILE 47 Ca 0.55 0.06 0.11 0.00 0.00 0.00 0.00 60.65 61.38 1dt7 s ILE 47 Cb -0.47 -3.27 -0.18 0.00 0.01 0.00 0.00 42.46 38.55 1dt7 s ILE 47 CO 0.62 0.48 0.24 0.29 0.00 0.00 0.00 174.94 176.57 1dt7 n LYS 48 N 3.30 0.49 -4.50 2.79 4.76 -1.26 -4.75 118.16 118.99 1dt7 n LYS 48 Ca -0.17 -0.10 -0.32 0.00 -2.87 0.00 0.00 58.31 54.85 1dt7 n LYS 48 Cb 0.52 -1.27 -0.11 0.00 -1.84 0.00 0.00 35.03 32.33 1dt7 n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1dt7 s GLU 49 N -2.76 2.59 0.56 1.97 8.01 -1.26 -4.99 118.70 122.81 1dt7 s GLU 49 Ca -0.04 -0.68 0.34 0.00 0.01 0.00 0.00 54.97 54.59 1dt7 s GLU 49 Cb 0.07 -2.52 1.40 0.00 -4.31 0.00 0.00 34.13 28.77 1dt7 s GLU 49 CO 0.48 0.62 2.00 1.96 0.01 0.00 0.00 175.26 180.32 1dt7 h GLN 50 N 4.69 0.00 -0.63 1.61 1.08 -2.01 -3.09 115.11 116.76 1dt7 h GLN 50 Ca -0.48 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.64 1dt7 h GLN 50 Cb 1.17 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.57 1dt7 h GLN 50 CO 0.53 0.00 0.10 1.05 -0.95 0.00 0.00 178.83 179.57 1dt7 h GLU 51 N 0.00 1.02 -0.65 1.46 4.11 -1.99 -1.71 114.58 116.82 1dt7 h GLU 51 Ca -0.00 -0.26 -0.06 0.00 0.07 0.00 0.00 59.36 59.12 1dt7 h GLU 51 Cb 0.50 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1dt7 h GLU 51 CO 0.00 0.94 0.19 0.28 0.07 0.00 0.00 179.01 180.48 1dt7 h VAL 52 N 0.96 1.25 -0.19 -1.06 2.07 -1.97 -2.05 116.25 115.26 1dt7 h VAL 52 Ca 0.19 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1dt7 h VAL 52 Cb 0.41 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1dt7 h VAL 52 CO 0.01 0.33 -0.41 0.58 0.02 0.00 0.00 177.57 178.10 1dt7 h VAL 53 N 0.97 1.31 -0.49 2.57 2.07 -1.60 -2.01 116.25 119.06 1dt7 h VAL 53 Ca 0.21 -1.57 -0.10 0.00 0.82 0.00 0.00 66.70 66.06 1dt7 h VAL 53 Cb 0.30 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1dt7 h VAL 53 CO -0.01 0.49 -0.09 -0.78 0.02 0.00 0.00 177.57 177.20 1dt7 h ASP 54 N 0.37 0.88 -0.52 0.57 1.82 -0.77 -0.76 116.42 118.01 1dt7 h ASP 54 Ca 0.03 -0.27 -0.12 0.00 -0.39 0.00 0.00 57.03 56.28 1dt7 h ASP 54 Cb 0.88 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.64 1dt7 h ASP 54 CO 0.07 0.99 -0.15 0.50 -1.61 0.00 0.00 179.24 179.04 1dt7 h LYS 55 N 0.80 1.03 -0.27 0.28 3.64 -1.21 -1.70 116.57 119.14 1dt7 h LYS 55 Ca 0.13 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 1dt7 h LYS 55 Cb 0.61 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1dt7 h LYS 55 CO 0.04 1.09 -0.08 0.28 -2.27 0.00 0.00 179.45 178.51 1dt7 h VAL 56 N 0.90 1.20 -0.07 2.00 2.07 -1.07 -1.87 116.25 119.42 1dt7 h VAL 56 Ca 0.13 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 1dt7 h VAL 56 Cb 0.73 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1dt7 h VAL 56 CO 0.06 0.29 -0.42 0.24 0.02 0.00 0.00 177.57 177.75 1dt7 h MET 57 N 0.42 0.15 -0.83 1.57 2.86 -0.36 0.28 114.93 119.01 1dt7 h MET 57 Ca 0.08 -0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.77 1dt7 h MET 57 Cb 0.40 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 1dt7 h MET 57 CO 0.02 0.55 0.54 0.93 1.06 0.00 0.00 176.91 180.01 1dt7 h GLU 58 N 0.12 0.68 0.09 1.72 4.39 -0.48 3.40 114.58 124.51 1dt7 h GLU 58 Ca 0.01 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 1dt7 h GLU 58 Cb 0.80 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1dt7 h GLU 58 CO 0.06 0.45 -0.51 1.15 -1.16 0.00 0.00 179.01 179.00 1dt7 h THR 59 N 0.70 1.61 0.00 1.13 2.02 -1.33 -3.35 112.91 113.69 1dt7 h THR 59 Ca 0.39 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1dt7 h THR 59 Cb 0.56 3.24 0.00 0.00 -1.74 0.00 0.00 68.15 70.21 1dt7 h THR 59 CO -0.16 0.67 -0.54 0.18 0.37 0.00 0.00 175.52 176.04 1dt7 n LEU 60 N -4.30 0.71 -3.11 2.58 4.77 0.01 -4.22 117.00 113.44 1dt7 n LEU 60 Ca -0.12 0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 55.78 1dt7 n LEU 60 Cb 0.69 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1dt7 n LEU 60 CO 0.43 -0.07 3.06 -0.67 -1.33 0.00 0.00 177.39 178.81 1dt7 n ASP 61 N -2.13 8.17 -0.35 -1.43 2.03 1.12 -4.53 116.55 119.45 1dt7 n ASP 61 Ca 0.04 -2.60 0.02 0.00 0.52 0.00 0.00 54.79 52.76 1dt7 n ASP 61 Cb 0.44 -1.52 0.18 0.00 -0.72 0.00 0.00 41.12 39.50 1dt7 n ASP 61 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1dt7 h GLU 62 N 4.65 1.14 0.00 -0.67 5.08 -1.80 0.50 114.58 123.48 1dt7 h GLU 62 Ca 0.76 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1dt7 h GLU 62 Cb 0.48 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1dt7 h GLU 62 CO 1.52 0.76 0.00 -0.44 -1.00 0.00 0.00 179.01 179.85 1dt7 h ASP 63 N 1.18 0.00 -1.55 1.42 3.32 -1.83 -3.46 116.42 115.50 1dt7 h ASP 63 Ca 0.40 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.21 1dt7 h ASP 63 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1dt7 h ASP 63 CO -0.14 0.00 -0.30 0.61 -1.72 0.00 0.00 179.24 177.69 1dt7 n GLY 64 N 0.05 0.07 0.84 2.75 0.00 0.17 -4.89 105.19 104.19 1dt7 n GLY 64 Ca 0.02 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1dt7 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dt7 n ASP 65 N -0.24 3.23 0.00 1.61 5.75 -1.26 -4.92 116.55 120.72 1dt7 n ASP 65 Ca -0.14 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 1dt7 n ASP 65 Cb 0.58 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 66 N 0.81 0.51 2.93 6.12 0.00 -1.26 -4.97 105.19 109.33 1dt7 n GLY 66 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1dt7 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dt7 s GLU 67 N -0.40 0.77 -0.23 1.61 2.02 -1.26 -2.79 118.70 118.42 1dt7 s GLU 67 Ca 0.00 -0.16 -0.09 0.00 0.02 0.00 0.00 54.97 54.74 1dt7 s GLU 67 Cb 0.00 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.43 1dt7 s GLU 67 CO 0.00 -0.00 0.11 0.00 0.02 0.00 0.00 175.26 175.39 1dt7 s ASP 69 N 1.04 2.97 0.50 0.00 -1.08 -1.26 -1.78 116.67 117.05 1dt7 s ASP 69 Ca 0.06 1.98 0.23 0.00 -0.52 0.00 0.00 52.55 54.29 1dt7 s ASP 69 Cb -0.14 -2.49 1.30 0.00 -1.46 0.00 0.00 42.92 40.12 1dt7 s ASP 69 CO 0.04 -3.04 1.97 2.19 0.52 0.00 0.00 175.17 176.85 1dt7 h PHE 70 N -1.82 0.15 -0.39 -5.34 -0.00 -1.91 0.49 116.94 108.12 1dt7 h PHE 70 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.50 1dt7 h PHE 70 Cb 1.27 -0.05 -0.02 0.00 -0.00 0.00 0.00 35.95 37.16 1dt7 h PHE 70 CO 0.48 0.06 0.19 0.37 -0.00 0.00 0.00 178.31 179.40 1dt7 h GLN 71 N 0.13 0.56 -0.70 6.09 4.15 -1.96 -0.96 115.11 122.41 1dt7 h GLN 71 Ca 0.30 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 1dt7 h GLN 71 Cb 1.01 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 1dt7 h GLN 71 CO -0.04 0.49 0.16 0.93 -1.93 0.00 0.00 178.83 178.44 1dt7 h GLU 72 N 0.49 1.13 0.00 1.69 5.08 -0.37 -2.23 114.58 120.37 1dt7 h GLU 72 Ca 0.13 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1dt7 h GLU 72 Cb 0.11 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1dt7 h GLU 72 CO -0.02 1.01 -0.35 0.35 -1.00 0.00 0.00 179.01 179.00 1dt7 h PHE 73 N 1.07 0.00 -0.87 4.33 3.04 -0.93 -2.72 116.94 120.86 1dt7 h PHE 73 Ca 0.22 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.18 1dt7 h PHE 73 Cb 0.39 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.86 1dt7 h PHE 73 CO 0.03 0.35 0.57 0.52 -2.02 0.00 0.00 178.31 177.76 1dt7 h MET 74 N 0.00 1.13 -0.16 1.11 2.86 -0.54 -2.01 114.93 117.32 1dt7 h MET 74 Ca -0.00 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1dt7 h MET 74 Cb 0.67 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1dt7 h MET 74 CO 0.05 0.75 -0.39 0.00 1.06 0.00 0.00 176.91 178.37 1dt7 h ALA 75 N 1.46 1.03 -1.00 6.32 0.00 -1.43 -2.90 119.26 122.75 1dt7 h ALA 75 Ca 0.32 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1dt7 h ALA 75 Cb -0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1dt7 h ALA 75 CO -0.07 0.60 0.67 0.35 0.00 0.00 0.00 179.25 180.80 1dt7 h PHE 76 N 0.30 1.26 -0.76 0.00 3.57 -1.37 -2.13 116.94 117.81 1dt7 h PHE 76 Ca 0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1dt7 h PHE 76 Cb 0.83 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1dt7 h PHE 76 CO 0.02 0.79 0.47 0.28 -2.23 0.00 0.00 178.31 177.64 1dt7 h VAL 77 N 1.36 1.21 -0.74 1.41 2.07 -1.34 -2.26 116.25 117.94 1dt7 h VAL 77 Ca 0.37 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1dt7 h VAL 77 Cb -0.15 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.71 1dt7 h VAL 77 CO -0.08 0.21 0.22 0.77 0.02 0.00 0.00 177.57 178.71 1dt7 h SER 78 N 1.04 1.09 -0.17 0.57 4.64 -1.37 -2.40 113.55 116.96 1dt7 h SER 78 Ca 0.28 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1dt7 h SER 78 Cb -0.06 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.74 1dt7 h SER 78 CO -0.05 1.02 -0.33 0.24 -0.87 0.00 0.00 176.83 176.83 1dt7 h MET 79 N 1.11 0.52 -0.58 4.77 2.07 -1.34 -3.05 114.93 118.44 1dt7 h MET 79 Ca 0.24 -0.34 -0.03 0.00 -2.07 0.00 0.00 59.70 57.50 1dt7 h MET 79 Cb 0.32 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.07 1dt7 h MET 79 CO -0.01 0.95 0.22 0.28 1.07 0.00 0.00 176.91 179.42 1dt7 h VAL 80 N 0.16 1.21 -1.01 -2.22 2.07 -1.36 -1.82 116.25 113.29 1dt7 h VAL 80 Ca 0.01 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1dt7 h VAL 80 Cb 0.93 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1dt7 h VAL 80 CO 0.07 0.26 0.67 0.74 0.02 0.00 0.00 177.57 179.33 1dt7 h THR 81 N 0.83 1.26 -0.96 2.57 2.02 -1.43 -1.24 112.91 115.96 1dt7 h THR 81 Ca 0.20 -0.47 0.16 0.00 0.77 0.00 0.00 66.41 67.07 1dt7 h THR 81 Cb 0.17 -0.23 -0.10 0.00 -1.74 0.00 0.00 68.15 66.26 1dt7 h THR 81 CO -0.02 0.25 0.57 0.74 0.37 0.00 0.00 175.52 177.43 1dt7 h THR 82 N 1.37 0.76 -0.60 3.16 2.02 -1.21 0.42 112.91 118.82 1dt7 h THR 82 Ca 0.37 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1dt7 h THR 82 Cb -0.16 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.14 1dt7 h THR 82 CO -0.08 0.14 0.25 0.00 0.37 0.00 0.00 175.52 176.21 1dt7 h ALA 83 N 1.60 1.32 -0.94 6.16 0.00 -1.17 -2.06 119.26 124.16 1dt7 h ALA 83 Ca 0.53 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1dt7 h ALA 83 Cb 0.74 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1dt7 h ALA 83 CO -0.35 0.51 0.62 0.00 0.00 0.00 0.00 179.25 180.03 1dt7 h HIS 85 N 1.27 1.25 -1.00 0.00 6.17 -0.81 2.24 115.15 124.28 1dt7 h HIS 85 Ca 0.34 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.46 1dt7 h HIS 85 Cb -0.14 -0.42 -0.05 0.00 2.52 0.00 0.00 27.41 29.31 1dt7 h HIS 85 CO -0.00 0.78 0.66 0.93 0.71 0.00 0.00 177.93 181.00 1dt7 h GLU 86 N 1.34 1.31 0.20 5.26 5.08 -1.22 -2.67 114.58 123.88 1dt7 h GLU 86 Ca 0.37 -0.08 -0.32 0.00 -1.00 0.00 0.00 59.36 58.33 1dt7 h GLU 86 Cb -0.14 -0.29 0.02 0.00 0.50 0.00 0.00 28.75 28.84 1dt7 h GLU 86 CO -0.09 0.87 -1.46 0.35 -1.00 0.00 0.00 179.01 177.69 1dt7 h PHE 87 N 1.35 0.75 -0.09 4.33 3.04 -0.76 -3.36 116.94 122.21 1dt7 h PHE 87 Ca 0.36 -0.55 -0.68 0.00 3.98 0.00 0.00 57.97 61.09 1dt7 h PHE 87 Cb -0.15 -0.03 0.01 0.00 2.56 0.00 0.00 35.95 38.34 1dt7 h PHE 87 CO 0.00 1.48 3.70 0.34 -2.02 0.00 0.00 178.31 181.80 1dt7 n PHE 88 N -3.62 2.53 -1.54 0.41 -0.00 0.74 -4.90 117.46 111.08 1dt7 n PHE 88 Ca -0.15 -3.07 -0.35 0.00 -0.00 0.00 0.00 57.45 53.87 1dt7 n PHE 88 Cb 1.07 -2.46 -0.05 0.00 -0.00 0.00 0.00 39.48 38.05 1dt7 n PHE 88 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1dt7 n GLU 89 N 3.68 0.86 -0.24 -4.13 0.00 -1.24 -4.77 120.64 114.79 1dt7 n GLU 89 Ca 0.75 -0.06 -0.05 0.00 0.00 0.00 0.00 57.16 57.80 1dt7 n GLU 89 Cb 0.25 -3.18 0.05 0.00 0.00 0.00 0.00 31.44 28.56 1dt7 n GLU 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1dt7 h HIS 90 N 18.16 0.86 0.00 -1.84 2.76 -1.90 -3.53 115.15 129.65 1dt7 h HIS 90 Ca -0.20 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1dt7 h HIS 90 Cb 1.26 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.93 1dt7 h HIS 90 CO 0.99 0.54 0.00 -1.91 -1.30 0.00 0.00 177.93 176.26