#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 -5.73 -0.58 6.12 7.64 -1.26 -4.80 113.62 115.01 1dt7 n SER 1 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1dt7 n SER 1 Cb 0.00 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.29 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 -2.69 0.82 -0.00 1.43 0.28 -1.26 -3.96 120.64 115.26 1dt7 n GLU 2 Ca -0.23 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.81 1dt7 n GLU 2 Cb 0.69 -1.36 0.42 0.00 1.43 0.00 0.00 31.44 32.63 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 0.34 0.47 -1.00 -1.84 5.85 -2.01 -2.19 115.31 114.94 1dt7 h LEU 3 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1dt7 h LEU 3 Cb 0.48 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1dt7 h LEU 3 CO 0.00 0.34 0.66 -0.33 -0.34 0.00 0.00 178.44 178.77 1dt7 h GLU 4 N 0.56 1.32 -0.33 1.25 5.08 -1.99 -1.88 114.58 118.60 1dt7 h GLU 4 Ca 0.15 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1dt7 h GLU 4 Cb -0.06 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.89 1dt7 h GLU 4 CO -0.03 0.88 -0.41 0.87 -1.00 0.00 0.00 179.01 179.31 1dt7 h LYS 5 N 1.36 0.82 -0.51 2.33 6.56 -1.72 -2.83 116.57 122.58 1dt7 h LYS 5 Ca 0.37 -0.44 -0.13 0.00 -1.06 0.00 0.00 60.65 59.39 1dt7 h LYS 5 Cb -0.15 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.52 1dt7 h LYS 5 CO -0.08 1.07 -0.18 0.00 -2.06 0.00 0.00 179.45 178.21 1dt7 h ALA 6 N 0.86 0.71 -0.73 3.86 0.00 -1.30 -2.31 119.26 120.36 1dt7 h ALA 6 Ca 0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1dt7 h ALA 6 Cb 0.98 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1dt7 h ALA 6 CO 0.09 0.68 0.19 0.52 0.00 0.00 0.00 179.25 180.74 1dt7 h MET 7 N 0.89 1.16 -0.70 0.00 2.86 -1.33 -2.43 114.93 115.37 1dt7 h MET 7 Ca 0.12 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1dt7 h MET 7 Cb 0.76 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1dt7 h MET 7 CO 0.06 1.00 0.17 0.28 1.06 0.00 0.00 176.91 179.49 1dt7 h VAL 8 N 1.10 1.26 -0.67 -2.22 2.07 -1.39 -2.94 116.25 113.46 1dt7 h VAL 8 Ca 0.23 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1dt7 h VAL 8 Cb 0.35 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1dt7 h VAL 8 CO -0.00 0.37 0.18 0.00 0.02 0.00 0.00 177.57 178.14 1dt7 h ALA 9 N 1.12 1.05 -1.01 1.67 0.00 -1.00 -2.37 119.26 118.72 1dt7 h ALA 9 Ca 0.22 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dt7 h ALA 9 Cb 0.36 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1dt7 h ALA 9 CO 0.00 0.63 0.67 -0.07 0.00 0.00 0.00 179.25 180.48 1dt7 h LEU 10 N 1.00 1.16 -0.65 0.00 3.38 -1.27 -1.90 115.31 117.02 1dt7 h LEU 10 Ca 0.21 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1dt7 h LEU 10 Cb 0.33 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1dt7 h LEU 10 CO -0.00 0.84 0.06 0.40 0.09 0.00 0.00 178.44 179.83 1dt7 h ILE 11 N 1.37 1.27 -0.54 1.22 2.04 -1.43 -2.93 117.51 118.50 1dt7 h ILE 11 Ca 0.37 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1dt7 h ILE 11 Cb -0.16 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1dt7 h ILE 11 CO -0.08 0.41 0.29 -0.78 0.00 0.00 0.00 178.15 177.98 1dt7 h ASP 12 N 1.02 0.69 -0.58 1.72 1.82 -0.85 -2.89 116.42 117.36 1dt7 h ASP 12 Ca 0.19 -0.10 -0.11 0.00 -0.39 0.00 0.00 57.03 56.62 1dt7 h ASP 12 Cb 0.50 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 1dt7 h ASP 12 CO 0.02 0.59 -0.05 0.58 -1.61 0.00 0.00 179.24 178.77 1dt7 h VAL 13 N 0.73 1.27 -1.00 2.25 2.07 -1.45 -1.87 116.25 118.24 1dt7 h VAL 13 Ca 0.19 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1dt7 h VAL 13 Cb 0.07 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1dt7 h VAL 13 CO -0.03 0.44 0.67 0.15 0.02 0.00 0.00 177.57 178.81 1dt7 h PHE 14 N 0.95 1.26 0.00 1.57 3.57 -1.38 -1.44 116.94 121.47 1dt7 h PHE 14 Ca 0.16 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1dt7 h PHE 14 Cb 0.62 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1dt7 h PHE 14 CO 0.04 0.79 -0.19 1.25 -2.23 0.00 0.00 178.31 177.97 1dt7 h HIS 15 N 1.36 0.00 -0.63 0.41 2.76 -1.36 -1.57 115.15 116.13 1dt7 h HIS 15 Ca 0.37 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.62 1dt7 h HIS 15 Cb -0.16 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.74 1dt7 h HIS 15 CO -0.00 0.19 0.29 0.37 -1.30 0.00 0.00 177.93 177.48 1dt7 h GLN 16 N 0.00 0.50 0.00 5.26 5.75 -0.40 -3.17 115.11 123.04 1dt7 h GLN 16 Ca -0.00 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 1dt7 h GLN 16 Cb 1.03 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.46 1dt7 h GLN 16 CO 0.03 0.33 -1.24 2.48 -2.65 0.00 0.00 178.83 177.78 1dt7 n TYR 17 N -4.91 0.00 -0.38 3.99 4.11 -1.23 -4.62 117.16 114.12 1dt7 n TYR 17 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.97 1dt7 n TYR 17 Cb 0.24 -0.15 0.11 0.00 -0.00 0.00 0.00 39.34 39.54 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1dt7 h SER 18 N 0.00 1.15 0.19 9.48 4.64 -1.39 0.21 113.55 127.84 1dt7 h SER 18 Ca -0.06 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1dt7 h SER 18 Cb 0.82 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1dt7 h SER 18 CO 0.00 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 1dt7 n GLY 19 N -1.38 -0.71 0.24 -0.77 0.00 -1.20 -3.11 105.19 98.27 1dt7 n GLY 19 Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.79 -6.20 1.61 2.43 -0.83 -3.44 114.38 108.75 1dt7 h ARG 20 Ca 0.00 -0.05 -0.57 0.00 -0.81 0.00 0.00 59.98 58.55 1dt7 h ARG 20 Cb 0.09 -0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 29.36 1dt7 h ARG 20 CO 0.00 0.52 -0.67 -1.21 -1.51 0.00 0.00 179.97 177.11 1dt7 s GLU 21 N -6.15 2.18 0.31 0.20 0.41 -1.18 -4.97 118.70 109.51 1dt7 s GLU 21 Ca -0.13 -1.48 0.06 0.00 -0.41 0.00 0.00 54.97 53.00 1dt7 s GLU 21 Cb 0.13 -2.09 0.31 0.00 -1.78 0.00 0.00 34.13 30.70 1dt7 s GLU 21 CO 0.76 0.36 0.98 0.41 -0.49 0.00 0.00 175.26 177.28 1dt7 n GLY 22 N -0.85 -0.40 2.02 -1.39 0.00 -1.26 -2.61 105.19 100.70 1dt7 n GLY 22 Ca -0.06 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1dt7 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dt7 n ASP 23 N -1.85 5.47 -0.10 1.61 8.00 -1.26 -4.45 116.55 123.97 1dt7 n ASP 23 Ca -0.00 -2.49 -0.14 0.00 0.71 0.00 0.00 54.79 52.87 1dt7 n ASP 23 Cb 0.55 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.19 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 3.13 0.92 0.00 -1.24 3.64 -1.61 -3.14 116.57 118.27 1dt7 h LYS 24 Ca 0.24 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1dt7 h LYS 24 Cb 1.44 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1dt7 h LYS 24 CO 0.33 1.18 -0.14 0.72 -2.27 0.00 0.00 179.45 179.28 1dt7 n HIS 25 N -4.03 0.75 -4.11 1.91 8.25 -1.26 -4.77 115.22 111.96 1dt7 n HIS 25 Ca -0.03 0.22 -0.08 0.00 -0.26 0.00 0.00 57.72 57.56 1dt7 n HIS 25 Cb 0.59 -0.83 -0.10 0.00 1.12 0.00 0.00 29.99 30.77 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 -3.10 0.67 -0.21 -0.41 -2.85 -1.19 -4.38 119.74 108.28 1dt7 s LYS 26 Ca 0.10 -1.25 -0.03 0.00 -1.00 0.00 0.00 55.97 53.79 1dt7 s LYS 26 Cb 0.13 0.08 -0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1dt7 s LYS 26 CO 0.62 -0.08 -0.08 -1.17 0.10 0.00 0.00 175.35 174.74 1dt7 s LEU 27 N -2.94 2.74 0.12 2.77 2.96 -0.70 -4.66 118.68 118.96 1dt7 s LEU 27 Ca 0.08 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1dt7 s LEU 27 Cb 0.07 -1.68 -0.06 0.00 0.50 0.00 0.00 46.19 45.02 1dt7 s LEU 27 CO -0.08 -0.01 0.39 -0.75 -1.32 0.00 0.00 176.35 174.58 1dt7 s LYS 28 N 1.39 3.68 0.62 1.98 2.20 -1.26 -0.77 119.74 127.59 1dt7 s LYS 28 Ca 0.05 0.04 0.19 0.00 -0.36 0.00 0.00 55.97 55.89 1dt7 s LYS 28 Cb -0.14 -2.90 0.72 0.00 -1.51 0.00 0.00 37.83 34.00 1dt7 s LYS 28 CO -0.05 0.50 1.28 1.57 -0.36 0.00 0.00 175.35 178.30 1dt7 h LYS 29 N 3.21 0.00 -0.01 4.03 2.10 -1.94 0.99 116.57 124.94 1dt7 h LYS 29 Ca -0.47 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1dt7 h LYS 29 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1dt7 h LYS 29 CO 0.70 0.00 -0.03 1.03 -2.00 0.00 0.00 179.45 179.14 1dt7 h SER 30 N 0.00 0.05 -0.28 7.07 0.87 -1.90 -1.87 113.55 117.49 1dt7 h SER 30 Ca 0.31 -0.59 -0.10 0.00 -1.23 0.00 0.00 61.79 60.18 1dt7 h SER 30 Cb 2.44 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 64.37 1dt7 h SER 30 CO -0.00 0.63 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.43 1dt7 h GLU 31 N -0.53 0.73 -0.91 2.24 5.08 0.60 -2.51 114.58 119.28 1dt7 h GLU 31 Ca -0.00 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1dt7 h GLU 31 Cb 0.63 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1dt7 h GLU 31 CO 0.01 0.85 0.60 1.25 -1.00 0.00 0.00 179.01 180.72 1dt7 h LEU 32 N 0.65 1.05 -1.01 1.33 5.85 -1.23 -1.47 115.31 120.48 1dt7 h LEU 32 Ca 0.10 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1dt7 h LEU 32 Cb 0.65 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1dt7 h LEU 32 CO 0.05 0.76 0.67 0.50 -0.34 0.00 0.00 178.44 180.08 1dt7 h LYS 33 N 1.23 1.33 -0.59 1.25 1.63 -0.89 -2.20 116.57 118.34 1dt7 h LYS 33 Ca 0.33 -0.08 -0.11 0.00 -0.85 0.00 0.00 60.65 59.95 1dt7 h LYS 33 Cb -0.14 -0.30 -0.02 0.00 -0.60 0.00 0.00 32.23 31.17 1dt7 h LYS 33 CO -0.07 0.88 -0.05 1.49 -3.45 0.00 0.00 179.45 178.25 1dt7 h GLU 34 N 1.37 1.07 -0.05 1.90 4.57 -1.13 0.66 114.58 122.97 1dt7 h GLU 34 Ca 0.37 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1dt7 h GLU 34 Cb -0.16 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.34 1dt7 h GLU 34 CO -0.08 1.07 0.03 1.25 -1.18 0.00 0.00 179.01 180.10 1dt7 h LEU 35 N 0.96 0.06 0.02 1.64 7.12 -0.93 0.35 115.31 124.53 1dt7 h LEU 35 Ca 0.16 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.11 1dt7 h LEU 35 Cb 0.62 -0.01 0.01 0.00 -0.53 0.00 0.00 40.66 40.74 1dt7 h LEU 35 CO 0.04 0.05 -0.24 0.40 -0.13 0.00 0.00 178.44 178.56 1dt7 h ILE 36 N 0.06 1.62 0.21 4.05 2.04 -1.27 -2.95 117.51 121.27 1dt7 h ILE 36 Ca 0.02 -2.13 -0.30 0.00 1.00 0.00 0.00 64.86 63.45 1dt7 h ILE 36 Cb -0.00 3.01 0.03 0.00 -0.74 0.00 0.00 36.82 39.12 1dt7 h ILE 36 CO -0.00 0.57 -1.29 -1.13 0.00 0.00 0.00 178.15 176.31 1dt7 h ASN 37 N -0.65 0.76 0.10 1.72 -0.73 0.30 -3.26 115.58 113.83 1dt7 h ASN 37 Ca -0.04 -0.92 -0.36 0.00 1.87 0.00 0.00 56.30 56.86 1dt7 h ASN 37 Cb 1.07 -0.25 -0.06 0.00 0.27 0.00 0.00 38.32 39.36 1dt7 h ASN 37 CO 0.05 1.62 -2.25 -3.20 -0.37 0.00 0.00 177.43 173.28 1dt7 n ASN 38 N -3.83 0.97 0.06 1.15 4.05 -0.15 -3.60 115.26 113.91 1dt7 n ASN 38 Ca -0.16 0.06 0.12 0.00 0.45 0.00 0.00 54.58 55.05 1dt7 n ASN 38 Cb 1.02 0.19 0.18 0.00 1.23 0.00 0.00 39.78 42.40 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 -3.03 0.28 -2.72 1.20 4.07 -0.07 -4.36 120.64 116.00 1dt7 n GLU 39 Ca -0.34 0.08 -0.10 0.00 -0.06 0.00 0.00 57.16 56.75 1dt7 n GLU 39 Cb 1.08 -1.68 0.04 0.00 -0.06 0.00 0.00 31.44 30.82 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1dt7 n LEU 40 N -2.08 0.78 -0.05 4.31 4.77 -1.13 -4.93 117.00 118.68 1dt7 n LEU 40 Ca 0.03 -3.81 -0.10 0.00 -0.03 0.00 0.00 56.01 52.11 1dt7 n LEU 40 Cb 0.43 0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 1dt7 n LEU 40 CO 0.36 1.70 0.93 -1.28 -1.33 0.00 0.00 177.39 177.77 1dt7 h SER 41 N 2.85 0.26 0.07 -1.43 0.87 -1.67 -2.39 113.55 112.11 1dt7 h SER 41 Ca -0.11 -0.05 -0.37 0.00 -1.23 0.00 0.00 61.79 60.03 1dt7 h SER 41 Cb 1.17 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 63.01 1dt7 h SER 41 CO 0.41 0.23 -2.28 1.41 -0.53 0.00 0.00 176.83 176.07 1dt7 n HIS 42 N -4.91 0.38 -0.27 2.24 8.25 -1.26 -3.42 115.22 116.25 1dt7 n HIS 42 Ca -0.03 0.09 -0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1dt7 n HIS 42 Cb 0.05 -1.06 0.20 0.00 1.12 0.00 0.00 29.99 30.31 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 0.02 1.05 -3.01 4.41 3.57 -1.92 -3.43 116.94 117.62 1dt7 h PHE 43 Ca -0.51 0.02 -0.50 0.00 3.53 0.00 0.00 57.97 60.51 1dt7 h PHE 43 Cb 2.01 -0.35 -0.16 0.00 2.79 0.00 0.00 35.95 40.24 1dt7 h PHE 43 CO 0.03 0.67 -0.76 -1.17 -2.23 0.00 0.00 178.31 174.85 1dt7 s LEU 44 N -9.92 2.50 -0.41 0.59 2.96 -0.90 -5.05 118.68 108.46 1dt7 s LEU 44 Ca -0.12 -0.95 -0.31 0.00 -0.22 0.00 0.00 54.13 52.54 1dt7 s LEU 44 Cb 0.18 -0.79 -0.10 0.00 0.50 0.00 0.00 46.19 45.98 1dt7 s LEU 44 CO 0.80 -0.09 2.30 1.21 -1.32 0.00 0.00 176.35 179.24 1dt7 n GLU 45 N -0.09 1.19 -1.75 1.98 4.07 -1.26 -4.51 120.64 120.27 1dt7 n GLU 45 Ca -0.10 0.26 -0.39 0.00 -0.06 0.00 0.00 57.16 56.86 1dt7 n GLU 45 Cb 0.59 -2.79 0.03 0.00 -0.06 0.00 0.00 31.44 29.21 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 8.55 1.91 -3.37 5.31 2.13 -1.22 -4.92 120.64 129.04 1dt7 n GLU 46 Ca 0.40 0.69 -0.38 0.00 0.66 0.00 0.00 57.16 58.53 1dt7 n GLU 46 Cb 0.34 -2.58 -0.06 0.00 0.27 0.00 0.00 31.44 29.41 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 -1.25 4.94 -0.06 6.31 -1.09 -1.26 -4.97 121.20 123.83 1dt7 s ILE 47 Ca 0.67 1.02 0.16 0.00 -2.23 0.00 0.00 60.65 60.28 1dt7 s ILE 47 Cb -0.43 -3.81 -0.25 0.00 -1.58 0.00 0.00 42.46 36.38 1dt7 s ILE 47 CO 0.53 0.52 0.37 0.29 -1.23 0.00 0.00 174.94 175.42 1dt7 n LYS 48 N 2.16 0.56 -3.88 2.79 4.76 -1.26 -4.91 118.16 118.37 1dt7 n LYS 48 Ca -0.11 -0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.07 1dt7 n LYS 48 Cb 0.52 -1.38 -0.14 0.00 -1.84 0.00 0.00 35.03 32.19 1dt7 n LYS 48 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1dt7 s GLU 49 N -3.11 0.02 0.61 1.97 2.12 -1.26 -5.02 118.70 114.03 1dt7 s GLU 49 Ca -0.05 -0.04 0.39 0.00 0.36 0.00 0.00 54.97 55.62 1dt7 s GLU 49 Cb 0.11 0.01 1.95 0.00 0.26 0.00 0.00 34.13 36.45 1dt7 s GLU 49 CO 0.68 -0.00 2.20 -0.56 -0.54 0.00 0.00 175.26 177.04 1dt7 h GLN 50 N 6.04 0.00 -0.77 4.30 -0.00 -2.01 -2.59 115.11 120.09 1dt7 h GLN 50 Ca -0.25 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.41 1dt7 h GLN 50 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.65 1dt7 h GLN 50 CO 0.50 0.01 0.51 1.05 -0.00 0.00 0.00 178.83 180.90 1dt7 h GLU 51 N 0.00 1.01 -1.01 0.06 4.11 -1.99 -1.09 114.58 115.67 1dt7 h GLU 51 Ca -0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.38 1dt7 h GLU 51 Cb 0.22 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1dt7 h GLU 51 CO 0.00 0.67 0.67 0.28 0.07 0.00 0.00 179.01 180.70 1dt7 h VAL 52 N 1.04 1.26 -0.36 -1.06 2.07 -1.90 -1.16 116.25 116.14 1dt7 h VAL 52 Ca 0.28 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1dt7 h VAL 52 Cb -0.12 -0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.41 1dt7 h VAL 52 CO -0.06 0.25 -0.13 0.58 0.02 0.00 0.00 177.57 178.23 1dt7 h VAL 53 N 1.36 1.25 -0.58 2.57 2.07 -1.36 -1.79 116.25 119.78 1dt7 h VAL 53 Ca 0.37 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1dt7 h VAL 53 Cb -0.15 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1dt7 h VAL 53 CO -0.08 0.38 0.08 -0.78 0.02 0.00 0.00 177.57 177.18 1dt7 h ASP 54 N 0.58 0.90 -0.47 0.57 1.82 -0.40 0.88 116.42 120.30 1dt7 h ASP 54 Ca 0.10 -0.20 -0.14 0.00 -0.39 0.00 0.00 57.03 56.40 1dt7 h ASP 54 Cb 0.56 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 1dt7 h ASP 54 CO 0.04 0.91 -0.25 0.50 -1.61 0.00 0.00 179.24 178.82 1dt7 h LYS 55 N 0.89 1.00 0.00 0.28 3.64 -1.04 -1.82 116.57 119.52 1dt7 h LYS 55 Ca 0.18 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 1dt7 h LYS 55 Cb 0.41 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1dt7 h LYS 55 CO 0.01 1.12 -0.24 0.28 -2.27 0.00 0.00 179.45 178.36 1dt7 h VAL 56 N 0.85 0.94 -0.11 2.00 2.07 -0.90 -1.37 116.25 119.73 1dt7 h VAL 56 Ca 0.10 -0.89 -0.12 0.00 0.82 0.00 0.00 66.70 66.62 1dt7 h VAL 56 Cb 0.84 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1dt7 h VAL 56 CO 0.07 0.23 -0.45 0.24 0.02 0.00 0.00 177.57 177.69 1dt7 h MET 57 N 0.00 0.25 -0.87 1.57 2.86 0.00 0.18 114.93 118.92 1dt7 h MET 57 Ca -0.00 -0.13 0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1dt7 h MET 57 Cb 0.49 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.09 1dt7 h MET 57 CO 0.03 0.65 0.56 1.49 1.06 0.00 0.00 176.91 180.71 1dt7 h GLU 58 N 0.21 0.80 0.14 1.72 4.81 -0.76 3.29 114.58 124.79 1dt7 h GLU 58 Ca 0.01 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 58.97 1dt7 h GLU 58 Cb 0.87 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.09 1dt7 h GLU 58 CO 0.07 0.53 -1.05 1.15 -0.73 0.00 0.00 179.01 178.98 1dt7 h THR 59 N 0.83 1.34 0.00 0.32 2.02 -1.38 -3.37 112.91 112.66 1dt7 h THR 59 Ca 0.41 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 65.09 1dt7 h THR 59 Cb 0.45 3.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 1dt7 h THR 59 CO -0.17 0.71 -0.83 -0.07 0.37 0.00 0.00 175.52 175.53 1dt7 h LEU 60 N -0.34 0.00 -5.35 2.58 3.38 -0.20 -3.38 115.31 112.01 1dt7 h LEU 60 Ca -0.20 -0.04 -0.69 0.00 0.09 0.00 0.00 57.88 57.04 1dt7 h LEU 60 Cb 1.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 1dt7 h LEU 60 CO 0.12 0.02 3.53 -0.67 0.09 0.00 0.00 178.44 181.54 1dt7 n ASP 61 N -2.61 7.33 -0.33 -0.43 -0.08 1.09 -4.58 116.55 116.94 1dt7 n ASP 61 Ca 0.01 -2.69 0.01 0.00 -1.51 0.00 0.00 54.79 50.61 1dt7 n ASP 61 Cb 0.53 -1.57 0.18 0.00 2.34 0.00 0.00 41.12 42.60 1dt7 n ASP 61 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1dt7 h GLU 62 N 5.26 1.14 0.00 -0.67 5.08 -1.78 0.45 114.58 124.06 1dt7 h GLU 62 Ca 0.77 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 1dt7 h GLU 62 Cb 0.39 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1dt7 h GLU 62 CO 1.79 0.76 0.00 -0.44 -1.00 0.00 0.00 179.01 180.12 1dt7 h ASP 63 N 1.18 0.00 -3.40 1.42 3.32 -1.86 -3.46 116.42 113.62 1dt7 h ASP 63 Ca 0.37 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.07 1dt7 h ASP 63 Cb 0.01 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.59 1dt7 h ASP 63 CO -0.11 0.00 -0.49 0.61 -1.72 0.00 0.00 179.24 177.52 1dt7 n GLY 64 N 0.44 -0.34 0.74 2.75 0.00 0.16 -4.88 105.19 104.05 1dt7 n GLY 64 Ca 0.03 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.69 2.87 -0.00 1.61 5.75 -1.26 -4.93 116.55 118.90 1dt7 n ASP 65 Ca -0.14 -1.87 -0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1dt7 n ASP 65 Cb 0.62 -0.20 -0.00 0.00 -1.03 0.00 0.00 41.12 40.51 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 0.79 0.49 3.00 6.12 0.00 -1.26 -4.99 105.19 109.35 1dt7 n GLY 66 Ca 0.13 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.05 0.16 -0.12 1.61 2.02 -1.26 -3.23 118.70 117.83 1dt7 s GLU 67 Ca 0.00 0.51 -0.11 0.00 0.02 0.00 0.00 54.97 55.39 1dt7 s GLU 67 Cb 0.00 -0.14 -0.05 0.00 0.10 0.00 0.00 34.13 34.05 1dt7 s GLU 67 CO 0.00 -0.18 0.24 0.00 0.02 0.00 0.00 175.26 175.33 1dt7 s ASP 69 N -0.37 4.24 0.32 0.00 1.01 -1.26 -1.73 116.67 118.88 1dt7 s ASP 69 Ca 0.16 1.81 0.11 0.00 0.71 0.00 0.00 52.55 55.33 1dt7 s ASP 69 Cb -0.13 -2.48 0.93 0.00 1.01 0.00 0.00 42.92 42.25 1dt7 s ASP 69 CO 0.05 -2.20 1.72 0.15 0.21 0.00 0.00 175.17 175.09 1dt7 h PHE 70 N -1.25 1.00 -0.37 4.23 3.57 -1.92 0.30 116.94 122.50 1dt7 h PHE 70 Ca -0.44 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1dt7 h PHE 70 Cb 1.24 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1dt7 h PHE 70 CO 0.55 0.02 0.24 0.37 -2.23 0.00 0.00 178.31 177.26 1dt7 h GLN 71 N 0.53 0.48 -1.01 1.11 4.15 -1.95 -2.10 115.11 116.32 1dt7 h GLN 71 Ca 0.66 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 60.06 1dt7 h GLN 71 Cb 1.31 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 1dt7 h GLN 71 CO -0.50 0.32 0.67 0.93 -1.93 0.00 0.00 178.83 178.32 1dt7 h GLU 72 N 0.49 1.33 -0.24 1.69 5.08 -0.73 -1.70 114.58 120.51 1dt7 h GLU 72 Ca 0.13 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1dt7 h GLU 72 Cb -0.05 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 1dt7 h GLU 72 CO -0.03 0.88 -0.27 0.35 -1.00 0.00 0.00 179.01 178.94 1dt7 h PHE 73 N 1.37 0.52 -0.58 4.33 3.57 -1.17 -2.80 116.94 122.18 1dt7 h PHE 73 Ca 0.37 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1dt7 h PHE 73 Cb -0.16 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 1dt7 h PHE 73 CO 0.00 0.69 0.38 0.52 -2.23 0.00 0.00 178.31 177.68 1dt7 h MET 74 N 0.40 0.76 -0.08 1.11 2.86 -0.62 -1.93 114.93 117.43 1dt7 h MET 74 Ca 0.06 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1dt7 h MET 74 Cb 0.69 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1dt7 h MET 74 CO 0.05 0.50 -0.48 0.00 1.06 0.00 0.00 176.91 178.04 1dt7 h ALA 75 N 1.64 1.04 -1.00 6.32 0.00 -1.28 -2.95 119.26 123.03 1dt7 h ALA 75 Ca 0.21 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1dt7 h ALA 75 Cb -0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1dt7 h ALA 75 CO -0.05 0.64 0.67 0.35 0.00 0.00 0.00 179.25 180.86 1dt7 h PHE 76 N 0.16 1.26 -0.45 0.00 3.57 -1.34 -1.44 116.94 118.71 1dt7 h PHE 76 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1dt7 h PHE 76 Cb 0.91 -0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1dt7 h PHE 76 CO 0.01 0.80 0.22 0.28 -2.23 0.00 0.00 178.31 177.39 1dt7 h VAL 77 N 1.36 1.15 -1.00 1.41 2.07 -1.43 -2.37 116.25 117.44 1dt7 h VAL 77 Ca 0.37 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1dt7 h VAL 77 Cb -0.16 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1dt7 h VAL 77 CO -0.08 0.18 0.66 0.28 0.02 0.00 0.00 177.57 178.63 1dt7 h SER 78 N 0.63 1.16 0.11 0.57 0.02 -1.23 -2.05 113.55 112.75 1dt7 h SER 78 Ca 0.16 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 1dt7 h SER 78 Cb 0.06 -0.29 0.02 0.00 0.14 0.00 0.00 62.40 62.33 1dt7 h SER 78 CO -0.02 0.84 -0.77 0.24 -1.14 0.00 0.00 176.83 175.98 1dt7 h MET 79 N 1.36 0.33 -0.86 3.45 2.07 -1.41 -3.15 114.93 116.72 1dt7 h MET 79 Ca 0.37 -0.50 0.01 0.00 -2.07 0.00 0.00 59.70 57.51 1dt7 h MET 79 Cb -0.15 0.18 -0.04 0.00 -1.87 0.00 0.00 31.60 29.71 1dt7 h MET 79 CO -0.08 1.22 0.57 0.28 1.07 0.00 0.00 176.91 179.97 1dt7 h VAL 80 N -0.31 1.22 -1.00 -2.22 2.07 -1.40 -1.15 116.25 113.45 1dt7 h VAL 80 Ca -0.13 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1dt7 h VAL 80 Cb 1.58 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1dt7 h VAL 80 CO 0.15 0.21 0.66 0.74 0.02 0.00 0.00 177.57 179.35 1dt7 h THR 81 N 1.17 1.26 -0.89 2.57 2.02 -1.46 -0.03 112.91 117.54 1dt7 h THR 81 Ca 0.32 -0.48 0.15 0.00 0.77 0.00 0.00 66.41 67.17 1dt7 h THR 81 Cb -0.13 -0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 65.99 1dt7 h THR 81 CO -0.07 0.25 0.58 0.74 0.37 0.00 0.00 175.52 177.39 1dt7 h THR 82 N 1.36 0.81 -0.88 3.16 2.02 -1.16 0.57 112.91 118.79 1dt7 h THR 82 Ca 0.37 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1dt7 h THR 82 Cb -0.15 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.31 1dt7 h THR 82 CO -0.08 0.12 0.45 0.00 0.37 0.00 0.00 175.52 176.38 1dt7 h ALA 83 N 1.60 1.13 -0.64 6.16 0.00 -0.81 -2.12 119.26 124.58 1dt7 h ALA 83 Ca 0.46 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1dt7 h ALA 83 Cb 0.78 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1dt7 h ALA 83 CO -0.21 0.67 0.43 0.00 0.00 0.00 0.00 179.25 180.14 1dt7 h HIS 85 N 0.87 1.21 -0.76 0.00 6.17 -0.75 2.25 115.15 124.14 1dt7 h HIS 85 Ca 0.24 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.31 1dt7 h HIS 85 Cb -0.10 -0.41 -0.03 0.00 2.52 0.00 0.00 27.41 29.39 1dt7 h HIS 85 CO -0.00 0.76 0.34 1.49 0.71 0.00 0.00 177.93 181.22 1dt7 h GLU 86 N 1.30 1.11 0.02 5.26 4.81 -1.31 1.13 114.58 126.90 1dt7 h GLU 86 Ca 0.35 -0.18 -0.26 0.00 -0.13 0.00 0.00 59.36 59.15 1dt7 h GLU 86 Cb -0.15 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.06 1dt7 h GLU 86 CO -0.08 0.88 -1.04 0.74 -0.73 0.00 0.00 179.01 178.78 1dt7 h PHE 87 N 1.07 0.87 -0.40 0.92 0.04 -0.88 -3.09 116.94 115.47 1dt7 h PHE 87 Ca 0.26 -0.49 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1dt7 h PHE 87 Cb 0.16 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1dt7 h PHE 87 CO 0.01 1.32 0.00 1.19 -0.60 0.00 0.00 178.31 180.24 1dt7 n PHE 88 N -3.80 1.01 -1.55 -0.55 3.01 0.75 -4.86 117.46 111.46 1dt7 n PHE 88 Ca -0.10 -0.39 -0.37 0.00 1.01 0.00 0.00 57.45 57.61 1dt7 n PHE 88 Cb 0.89 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 40.12 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1dt7 n GLU 89 N 0.59 1.06 -1.07 -1.08 4.07 0.39 -4.78 120.64 119.82 1dt7 n GLU 89 Ca 0.17 0.03 -0.35 0.00 -0.06 0.00 0.00 57.16 56.95 1dt7 n GLU 89 Cb 0.65 -3.38 -0.03 0.00 -0.06 0.00 0.00 31.44 28.62 1dt7 n GLU 89 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1dt7 n HIS 90 N 15.53 1.91 0.00 4.31 1.44 -1.26 -5.05 115.22 132.10 1dt7 n HIS 90 Ca 0.38 -2.10 0.00 0.00 -2.01 0.00 0.00 57.72 53.98 1dt7 n HIS 90 Cb 0.53 -1.85 0.00 0.00 0.12 0.00 0.00 29.99 28.78 1dt7 n HIS 90 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92