#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 -5.29 0.00 3.17 2.88 -1.26 -4.79 113.62 108.33 1dt7 n SER 1 Ca 0.00 0.44 0.12 0.00 -1.33 0.00 0.00 58.87 58.10 1dt7 n SER 1 Cb 0.00 -4.36 0.59 0.00 -0.75 0.00 0.00 64.21 59.70 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1dt7 n GLU 2 N -2.29 0.23 0.23 -1.46 1.02 -1.26 -3.61 120.64 113.49 1dt7 n GLU 2 Ca -0.18 0.06 0.15 0.00 -0.02 0.00 0.00 57.16 57.17 1dt7 n GLU 2 Cb 0.61 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 31.17 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dt7 h LEU 3 N 0.00 0.00 -0.57 -4.62 6.46 -2.00 0.40 115.31 114.99 1dt7 h LEU 3 Ca 0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 1dt7 h LEU 3 Cb 0.31 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1dt7 h LEU 3 CO 0.00 0.00 -0.30 1.05 -0.62 0.00 0.00 178.44 178.57 1dt7 h GLU 4 N 0.00 0.82 -0.29 1.25 4.11 -1.98 -1.81 114.58 116.69 1dt7 h GLU 4 Ca 0.09 -0.38 -0.14 0.00 0.07 0.00 0.00 59.36 59.00 1dt7 h GLU 4 Cb 1.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1dt7 h GLU 4 CO -0.00 1.01 -0.38 0.87 0.07 0.00 0.00 179.01 180.58 1dt7 h LYS 5 N 0.70 0.67 -0.55 1.06 1.57 -0.49 -2.82 116.57 116.71 1dt7 h LYS 5 Ca 0.08 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 1dt7 h LYS 5 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1dt7 h LYS 5 CO 0.07 0.94 -0.06 0.00 -0.57 0.00 0.00 179.45 179.83 1dt7 h ALA 6 N 1.03 0.74 -0.68 3.86 0.00 -1.21 -1.92 119.26 121.08 1dt7 h ALA 6 Ca 0.05 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1dt7 h ALA 6 Cb 0.90 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1dt7 h ALA 6 CO 0.08 0.62 0.12 0.52 0.00 0.00 0.00 179.25 180.59 1dt7 h MET 7 N 0.88 1.13 -0.59 0.00 2.86 -1.28 -2.45 114.93 115.48 1dt7 h MET 7 Ca 0.15 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 1dt7 h MET 7 Cb 0.62 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1dt7 h MET 7 CO 0.04 1.02 0.10 0.28 1.06 0.00 0.00 176.91 179.41 1dt7 h VAL 8 N 1.05 1.25 -0.47 -2.22 2.07 -1.34 -2.89 116.25 113.70 1dt7 h VAL 8 Ca 0.21 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 1dt7 h VAL 8 Cb 0.44 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1dt7 h VAL 8 CO 0.01 0.35 -0.04 0.00 0.02 0.00 0.00 177.57 177.92 1dt7 h ALA 9 N 1.21 1.05 -1.01 1.67 0.00 -0.93 -1.95 119.26 119.29 1dt7 h ALA 9 Ca 0.18 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1dt7 h ALA 9 Cb 0.39 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1dt7 h ALA 9 CO 0.01 0.59 0.67 -0.07 0.00 0.00 0.00 179.25 180.45 1dt7 h LEU 10 N 0.74 1.16 -0.46 0.00 3.38 -1.23 -1.97 115.31 116.93 1dt7 h LEU 10 Ca 0.14 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1dt7 h LEU 10 Cb 0.51 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1dt7 h LEU 10 CO 0.03 0.84 -0.37 0.40 0.09 0.00 0.00 178.44 179.42 1dt7 h ILE 11 N 1.37 1.28 -0.42 1.22 2.04 -1.46 -3.03 117.51 118.50 1dt7 h ILE 11 Ca 0.37 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1dt7 h ILE 11 Cb -0.16 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1dt7 h ILE 11 CO -0.08 0.51 0.28 -0.78 0.00 0.00 0.00 178.15 178.08 1dt7 h ASP 12 N 0.72 0.48 -0.20 1.72 1.82 -0.61 -2.79 116.42 117.56 1dt7 h ASP 12 Ca 0.06 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.58 1dt7 h ASP 12 Cb 0.95 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 1dt7 h ASP 12 CO 0.09 0.35 -0.25 0.58 -1.61 0.00 0.00 179.24 178.40 1dt7 h VAL 13 N 0.57 1.27 -1.01 2.25 2.07 -1.49 -2.83 116.25 117.08 1dt7 h VAL 13 Ca 0.15 -1.34 0.14 0.00 0.82 0.00 0.00 66.70 66.47 1dt7 h VAL 13 Cb -0.06 1.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1dt7 h VAL 13 CO -0.03 0.44 0.63 0.15 0.02 0.00 0.00 177.57 178.77 1dt7 h PHE 14 N 0.58 1.13 0.00 1.57 3.04 -1.37 0.64 116.94 122.53 1dt7 h PHE 14 Ca 0.08 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 1dt7 h PHE 14 Cb 0.73 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1dt7 h PHE 14 CO 0.03 0.40 -0.21 1.25 -2.02 0.00 0.00 178.31 177.76 1dt7 h HIS 15 N 0.94 0.00 -1.01 0.41 2.76 -1.39 -1.43 115.15 115.43 1dt7 h HIS 15 Ca 0.52 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.70 1dt7 h HIS 15 Cb 0.59 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.50 1dt7 h HIS 15 CO -0.00 0.21 0.67 1.96 -1.30 0.00 0.00 177.93 179.47 1dt7 h GLN 16 N 0.00 1.32 0.00 5.26 1.08 -0.73 -3.20 115.11 118.84 1dt7 h GLN 16 Ca -0.00 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1dt7 h GLN 16 Cb 0.92 -0.30 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1dt7 h GLN 16 CO 0.03 0.87 -1.05 2.48 -0.95 0.00 0.00 178.83 180.21 1dt7 n TYR 17 N -4.38 0.00 -0.11 2.96 4.11 -1.23 -4.58 117.16 113.92 1dt7 n TYR 17 Ca 0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.90 1dt7 n TYR 17 Cb 0.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 39.34 39.29 1dt7 n TYR 17 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1dt7 h SER 18 N 0.00 0.69 0.25 9.48 0.87 -1.38 -2.45 113.55 121.01 1dt7 h SER 18 Ca -0.01 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1dt7 h SER 18 Cb 0.37 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1dt7 h SER 18 CO 0.00 0.95 0.00 0.61 -0.53 0.00 0.00 176.83 177.86 1dt7 n GLY 19 N -0.03 -0.88 0.21 5.77 0.00 -1.21 -3.37 105.19 105.68 1dt7 n GLY 19 Ca -0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 0.67 -6.25 1.61 2.43 -1.66 -3.44 114.38 107.74 1dt7 h ARG 20 Ca 0.00 -0.04 -0.58 0.00 -0.81 0.00 0.00 59.98 58.55 1dt7 h ARG 20 Cb 0.12 -0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 29.41 1dt7 h ARG 20 CO 0.00 0.45 -0.68 -2.00 -1.51 0.00 0.00 179.97 176.23 1dt7 s GLU 21 N -6.15 2.16 0.66 0.20 2.56 -1.22 -4.97 118.70 111.95 1dt7 s GLU 21 Ca -0.13 -1.44 0.02 0.00 0.00 0.00 0.00 54.97 53.42 1dt7 s GLU 21 Cb 0.12 -2.10 0.12 0.00 2.00 0.00 0.00 34.13 34.27 1dt7 s GLU 21 CO 0.74 0.37 1.07 0.78 -0.56 0.00 0.00 175.26 177.66 1dt7 h GLY 22 N 2.14 0.00 -4.10 -1.50 0.00 -1.86 -2.60 103.07 95.15 1dt7 h GLY 22 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1dt7 h GLY 22 CO 0.59 0.00 -0.01 1.22 0.00 0.00 0.00 176.54 178.34 1dt7 n ASP 23 N -2.53 3.09 -0.05 0.19 8.00 -1.26 -4.27 116.55 119.72 1dt7 n ASP 23 Ca -0.00 -2.00 -0.14 0.00 0.71 0.00 0.00 54.79 53.37 1dt7 n ASP 23 Cb 0.96 -0.78 -0.07 0.00 -0.02 0.00 0.00 41.12 41.21 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 3.60 0.43 0.00 -1.24 3.64 -1.55 -3.22 116.57 118.24 1dt7 h LYS 24 Ca 0.08 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1dt7 h LYS 24 Cb 0.79 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1dt7 h LYS 24 CO 0.23 0.85 -0.01 1.25 -2.27 0.00 0.00 179.45 179.50 1dt7 h HIS 25 N 0.05 0.00 -3.70 1.91 2.76 -1.90 -3.44 115.15 110.82 1dt7 h HIS 25 Ca 0.01 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.93 1dt7 h HIS 25 Cb 0.81 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 29.62 1dt7 h HIS 25 CO 0.09 0.01 -0.70 -1.59 -1.30 0.00 0.00 177.93 174.44 1dt7 s LYS 26 N -3.32 0.89 -0.14 5.26 -2.85 -1.21 -4.49 119.74 113.88 1dt7 s LYS 26 Ca 0.06 -1.35 -0.01 0.00 -1.00 0.00 0.00 55.97 53.66 1dt7 s LYS 26 Cb 0.06 -0.33 -0.02 0.00 -2.06 0.00 0.00 37.83 35.49 1dt7 s LYS 26 CO 0.64 0.01 -0.10 -1.17 0.10 0.00 0.00 175.35 174.83 1dt7 s LEU 27 N -3.03 2.89 -0.01 2.77 2.96 -0.94 -4.60 118.68 118.72 1dt7 s LEU 27 Ca 0.13 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1dt7 s LEU 27 Cb 0.04 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1dt7 s LEU 27 CO -0.03 0.17 0.10 -0.75 -1.32 0.00 0.00 176.35 174.52 1dt7 s LYS 28 N 0.33 3.12 0.63 1.98 2.20 -1.26 -1.24 119.74 125.50 1dt7 s LYS 28 Ca -0.09 -0.46 0.18 0.00 -0.36 0.00 0.00 55.97 55.25 1dt7 s LYS 28 Cb -0.15 -2.90 0.64 0.00 -1.51 0.00 0.00 37.83 33.91 1dt7 s LYS 28 CO 0.05 0.65 1.23 1.57 -0.36 0.00 0.00 175.35 178.49 1dt7 h LYS 29 N 4.07 0.00 0.03 4.03 2.10 -1.93 0.82 116.57 125.68 1dt7 h LYS 29 Ca -0.49 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 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 0.63 0.00 -0.01 1.03 -2.00 0.00 0.00 179.45 179.10 1dt7 h SER 30 N 0.00 -0.03 0.20 7.07 0.87 -1.92 -2.19 113.55 117.55 1dt7 h SER 30 Ca 0.31 -0.52 -0.11 0.00 -1.23 0.00 0.00 61.79 60.24 1dt7 h SER 30 Cb 2.54 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 64.50 1dt7 h SER 30 CO -0.00 0.52 -0.41 -0.33 -0.53 0.00 0.00 176.83 176.07 1dt7 h GLU 31 N -0.59 0.29 -0.99 2.24 5.08 0.24 -2.56 114.58 118.29 1dt7 h GLU 31 Ca -0.00 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1dt7 h GLU 31 Cb 0.55 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1dt7 h GLU 31 CO 0.01 0.66 0.65 1.25 -1.00 0.00 0.00 179.01 180.58 1dt7 h LEU 32 N 0.24 1.13 -0.78 1.33 5.85 -1.26 -1.41 115.31 120.41 1dt7 h LEU 32 Ca 0.02 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1dt7 h LEU 32 Cb 0.84 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1dt7 h LEU 32 CO 0.07 0.82 0.03 0.50 -0.34 0.00 0.00 178.44 179.52 1dt7 h LYS 33 N 1.34 0.95 -0.87 1.25 3.64 -1.01 -2.53 116.57 119.34 1dt7 h LYS 33 Ca 0.36 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1dt7 h LYS 33 Cb -0.16 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.52 1dt7 h LYS 33 CO -0.08 0.92 0.45 1.49 -2.27 0.00 0.00 179.45 179.96 1dt7 h GLU 34 N 0.88 1.24 -0.20 1.90 4.81 -0.91 0.47 114.58 122.77 1dt7 h GLU 34 Ca 0.17 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1dt7 h GLU 34 Cb 0.48 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1dt7 h GLU 34 CO 0.02 0.93 -0.19 1.25 -0.73 0.00 0.00 179.01 180.29 1dt7 h LEU 35 N 1.23 0.51 -0.24 1.64 6.46 -1.22 0.32 115.31 124.02 1dt7 h LEU 35 Ca 0.30 -0.47 -0.13 0.00 -0.12 0.00 0.00 57.88 57.46 1dt7 h LEU 35 Cb 0.08 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1dt7 h LEU 35 CO -0.04 0.88 -0.37 0.40 -0.62 0.00 0.00 178.44 178.69 1dt7 h ILE 36 N 0.16 1.31 0.08 4.05 2.04 -1.14 0.38 117.51 124.39 1dt7 h ILE 36 Ca 0.03 -1.57 -0.27 0.00 1.00 0.00 0.00 64.86 64.06 1dt7 h ILE 36 Cb 0.73 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1dt7 h ILE 36 CO 0.05 0.49 -1.30 -1.13 0.00 0.00 0.00 178.15 176.26 1dt7 h ASN 37 N 0.38 0.26 0.01 1.72 -0.73 -0.13 -3.21 115.58 113.89 1dt7 h ASN 37 Ca 0.02 -0.32 -0.38 0.00 1.87 0.00 0.00 56.30 57.49 1dt7 h ASN 37 Cb 0.96 -0.09 -0.07 0.00 0.27 0.00 0.00 38.32 39.39 1dt7 h ASN 37 CO 0.08 1.26 -2.43 -3.20 -0.37 0.00 0.00 177.43 172.77 1dt7 n ASN 38 N -3.42 1.23 0.09 1.15 4.05 0.09 -4.30 115.26 114.15 1dt7 n ASN 38 Ca -0.09 -0.07 0.09 0.00 0.45 0.00 0.00 54.58 54.96 1dt7 n ASN 38 Cb 1.01 0.12 -0.01 0.00 1.23 0.00 0.00 39.78 42.12 1dt7 n ASN 38 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1dt7 h GLU 39 N 0.00 0.00 -2.16 1.20 4.81 -0.81 -3.37 114.58 114.25 1dt7 h GLU 39 Ca -0.56 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.03 1dt7 h GLU 39 Cb 2.04 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 31.03 1dt7 h GLU 39 CO -0.04 0.06 -0.26 1.28 -0.73 0.00 0.00 179.01 179.32 1dt7 n LEU 40 N -2.74 5.20 -0.36 1.64 4.77 -0.85 -4.86 117.00 119.80 1dt7 n LEU 40 Ca -0.02 -5.53 -0.03 0.00 -0.03 0.00 0.00 56.01 50.41 1dt7 n LEU 40 Cb 0.61 -0.68 0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1dt7 n LEU 40 CO 0.40 2.26 1.27 -1.28 -1.33 0.00 0.00 177.39 178.72 1dt7 h SER 41 N 3.15 1.10 0.00 -1.43 0.87 -1.75 -3.35 113.55 112.15 1dt7 h SER 41 Ca 0.25 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1dt7 h SER 41 Cb 0.51 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1dt7 h SER 41 CO 0.92 0.80 -0.09 0.00 -0.53 0.00 0.00 176.83 177.92 1dt7 n HIS 42 N -4.41 0.00 -0.14 2.24 1.44 -1.26 -4.49 115.22 108.59 1dt7 n HIS 42 Ca 0.11 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.74 1dt7 n HIS 42 Cb 0.01 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.19 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1dt7 h PHE 43 N 0.00 1.01 -2.88 -1.40 3.57 -1.90 -3.45 116.94 111.90 1dt7 h PHE 43 Ca 0.00 -0.20 -0.45 0.00 3.53 0.00 0.00 57.97 60.85 1dt7 h PHE 43 Cb 0.00 -0.25 -0.14 0.00 2.79 0.00 0.00 35.95 38.34 1dt7 h PHE 43 CO 0.00 0.97 -0.70 -1.17 -2.23 0.00 0.00 178.31 175.17 1dt7 s LEU 44 N -9.11 2.49 -0.32 0.59 2.96 -1.26 -5.05 118.68 108.99 1dt7 s LEU 44 Ca -0.10 -1.10 -0.32 0.00 -0.22 0.00 0.00 54.13 52.39 1dt7 s LEU 44 Cb 0.13 -0.60 -0.09 0.00 0.50 0.00 0.00 46.19 46.14 1dt7 s LEU 44 CO 0.85 -0.27 2.23 -1.84 -1.32 0.00 0.00 176.35 175.99 1dt7 n GLU 45 N -0.44 1.41 -1.82 1.98 0.28 -1.26 -4.72 120.64 116.07 1dt7 n GLU 45 Ca -0.07 0.37 -0.41 0.00 -0.16 0.00 0.00 57.16 56.89 1dt7 n GLU 45 Cb 0.62 -2.82 -0.00 0.00 1.43 0.00 0.00 31.44 30.66 1dt7 n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1dt7 s GLU 46 N 6.46 4.09 0.06 3.44 2.12 -1.26 -4.96 118.70 128.65 1dt7 s GLU 46 Ca 1.06 2.54 -0.23 0.00 0.36 0.00 0.00 54.97 58.70 1dt7 s GLU 46 Cb -0.61 -2.95 -0.06 0.00 0.26 0.00 0.00 34.13 30.77 1dt7 s GLU 46 CO 0.42 -0.54 0.68 0.42 -0.54 0.00 0.00 175.26 175.70 1dt7 s ILE 47 N -1.13 4.72 -0.09 -3.70 -1.09 -1.26 -4.95 121.20 113.70 1dt7 s ILE 47 Ca 0.53 1.44 0.11 0.00 -2.23 0.00 0.00 60.65 60.51 1dt7 s ILE 47 Cb -0.46 -4.02 -0.16 0.00 -1.58 0.00 0.00 42.46 36.24 1dt7 s ILE 47 CO 0.62 0.45 0.10 0.29 -1.23 0.00 0.00 174.94 175.17 1dt7 n LYS 48 N 2.36 1.61 -5.24 2.79 4.76 -1.26 -4.85 118.16 118.33 1dt7 n LYS 48 Ca -0.06 -0.04 -0.30 0.00 -2.87 0.00 0.00 58.31 55.04 1dt7 n LYS 48 Cb 0.50 -1.31 -0.16 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.45 2.01 0.58 1.97 2.02 -1.26 -5.00 118.70 116.57 1dt7 s GLU 49 Ca -0.06 -0.89 0.36 0.00 0.02 0.00 0.00 54.97 54.40 1dt7 s GLU 49 Cb 0.05 -1.94 1.68 0.00 0.10 0.00 0.00 34.13 34.02 1dt7 s GLU 49 CO 0.50 0.53 2.11 0.37 0.02 0.00 0.00 175.26 178.80 1dt7 h GLN 50 N 5.52 0.00 -0.96 1.61 4.15 -2.01 -2.69 115.11 120.73 1dt7 h GLN 50 Ca -0.42 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.04 1dt7 h GLN 50 Cb 1.12 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.76 1dt7 h GLN 50 CO 0.47 0.03 0.63 1.05 -1.93 0.00 0.00 178.83 179.08 1dt7 h GLU 51 N 0.00 1.16 -0.61 1.69 4.11 -2.00 0.37 114.58 119.30 1dt7 h GLU 51 Ca -0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 59.37 1dt7 h GLU 51 Cb 0.34 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1dt7 h GLU 51 CO 0.00 0.77 0.41 0.28 0.07 0.00 0.00 179.01 180.53 1dt7 h VAL 52 N 1.19 1.16 -0.27 -1.06 2.07 -1.91 -1.13 116.25 116.31 1dt7 h VAL 52 Ca 0.39 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.50 1dt7 h VAL 52 Cb 0.05 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1dt7 h VAL 52 CO -0.13 0.15 -0.32 0.58 0.02 0.00 0.00 177.57 177.87 1dt7 h VAL 53 N 0.83 1.28 -0.44 2.57 2.07 -1.08 -2.06 116.25 119.43 1dt7 h VAL 53 Ca 0.22 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 1dt7 h VAL 53 Cb -0.09 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1dt7 h VAL 53 CO -0.05 0.46 -0.11 0.44 0.02 0.00 0.00 177.57 178.34 1dt7 h ASP 54 N 0.49 0.78 -0.48 0.57 3.32 -0.35 -0.18 116.42 120.57 1dt7 h ASP 54 Ca 0.06 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.74 1dt7 h ASP 54 Cb 0.80 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1dt7 h ASP 54 CO 0.07 0.91 -0.23 0.50 -1.72 0.00 0.00 179.24 178.77 1dt7 h LYS 55 N 0.72 1.01 -0.19 3.56 3.64 -1.17 -1.20 116.57 122.94 1dt7 h LYS 55 Ca 0.12 -0.44 -0.07 0.00 -1.27 0.00 0.00 60.65 59.00 1dt7 h LYS 55 Cb 0.59 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1dt7 h LYS 55 CO 0.04 1.12 -0.19 0.28 -2.27 0.00 0.00 179.45 178.42 1dt7 h VAL 56 N 0.86 1.22 0.00 2.00 2.07 -1.08 -1.49 116.25 119.83 1dt7 h VAL 56 Ca 0.11 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 1dt7 h VAL 56 Cb 0.81 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1dt7 h VAL 56 CO 0.07 0.32 -0.44 0.24 0.02 0.00 0.00 177.57 177.78 1dt7 h MET 57 N 0.29 0.00 -1.00 1.57 2.86 -0.37 0.46 114.93 118.74 1dt7 h MET 57 Ca 0.05 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1dt7 h MET 57 Cb 0.51 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 1dt7 h MET 57 CO 0.03 0.44 0.66 1.49 1.06 0.00 0.00 176.91 180.59 1dt7 h GLU 58 N 0.00 1.25 0.21 1.72 4.81 -0.14 3.06 114.58 125.49 1dt7 h GLU 58 Ca -0.00 -0.08 -0.35 0.00 -0.13 0.00 0.00 59.36 58.80 1dt7 h GLU 58 Cb 0.85 -0.28 0.02 0.00 0.63 0.00 0.00 28.75 29.97 1dt7 h GLU 58 CO 0.06 0.83 -1.68 1.15 -0.73 0.00 0.00 179.01 178.64 1dt7 h THR 59 N 1.29 1.04 0.00 0.32 2.02 -1.39 -3.35 112.91 112.83 1dt7 h THR 59 Ca 0.39 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1dt7 h THR 59 Cb -0.03 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1dt7 h THR 59 CO -0.12 0.85 -0.63 0.25 0.37 0.00 0.00 175.52 176.24 1dt7 h LEU 60 N 0.12 0.00 -5.41 2.58 5.85 0.25 -3.36 115.31 115.33 1dt7 h LEU 60 Ca -0.32 -0.04 -0.69 0.00 0.84 0.00 0.00 57.88 57.67 1dt7 h LEU 60 Cb 2.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.15 1dt7 h LEU 60 CO 0.21 0.02 3.47 -0.67 -0.34 0.00 0.00 178.44 181.13 1dt7 n ASP 61 N -2.65 7.07 -0.37 1.25 2.03 1.02 -4.60 116.55 120.29 1dt7 n ASP 61 Ca 0.02 -2.71 0.02 0.00 0.52 0.00 0.00 54.79 52.63 1dt7 n ASP 61 Cb 0.52 -1.57 0.16 0.00 -0.72 0.00 0.00 41.12 39.51 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 5.31 1.18 0.00 -0.67 5.08 -1.80 0.55 114.58 124.23 1dt7 h GLU 62 Ca 0.75 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1dt7 h GLU 62 Cb 0.41 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1dt7 h GLU 62 CO 1.79 0.78 0.00 -0.44 -1.00 0.00 0.00 179.01 180.14 1dt7 h ASP 63 N 1.22 0.00 -1.90 1.42 3.32 -1.83 -3.46 116.42 115.19 1dt7 h ASP 63 Ca 0.42 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.21 1dt7 h ASP 63 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1dt7 h ASP 63 CO -0.15 0.00 -0.34 0.61 -1.72 0.00 0.00 179.24 177.64 1dt7 n GLY 64 N 0.00 -0.17 0.85 2.75 0.00 0.19 -4.89 105.19 103.93 1dt7 n GLY 64 Ca 0.01 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.50 3.16 0.00 1.61 5.75 -1.26 -4.92 116.55 120.39 1dt7 n ASP 65 Ca -0.15 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1dt7 n ASP 65 Cb 0.62 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.90 0.66 2.98 6.12 0.00 -1.26 -4.98 105.19 109.61 1dt7 n GLY 66 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.13 0.30 -0.12 1.61 2.02 -1.26 -3.15 118.70 117.97 1dt7 s GLU 67 Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1dt7 s GLU 67 Cb 0.00 0.05 -0.01 0.00 0.10 0.00 0.00 34.13 34.26 1dt7 s GLU 67 CO 0.00 -0.03 -0.15 0.00 0.02 0.00 0.00 175.26 175.09 1dt7 s ASP 69 N 0.23 4.81 0.34 0.00 1.01 -1.26 -2.21 116.67 119.59 1dt7 s ASP 69 Ca -0.10 1.75 0.13 0.00 0.71 0.00 0.00 52.55 55.04 1dt7 s ASP 69 Cb -0.16 -2.51 0.99 0.00 1.01 0.00 0.00 42.92 42.25 1dt7 s ASP 69 CO 0.06 -1.83 1.72 0.15 0.21 0.00 0.00 175.17 175.48 1dt7 h PHE 70 N -0.99 0.91 0.10 4.23 3.57 -1.93 0.36 116.94 123.19 1dt7 h PHE 70 Ca -0.44 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 1dt7 h PHE 70 Cb 1.22 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1dt7 h PHE 70 CO 0.59 0.01 -0.05 0.37 -2.23 0.00 0.00 178.31 177.00 1dt7 h GLN 71 N 0.48 -0.12 -0.79 1.11 4.15 -1.96 -1.69 115.11 116.28 1dt7 h GLN 71 Ca 0.66 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 60.07 1dt7 h GLN 71 Cb 1.42 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 29.10 1dt7 h GLN 71 CO -0.46 -0.04 0.43 0.93 -1.93 0.00 0.00 178.83 177.76 1dt7 h GLU 72 N -0.17 1.10 -0.86 1.69 5.08 -0.70 -2.21 114.58 118.50 1dt7 h GLU 72 Ca -0.01 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1dt7 h GLU 72 Cb 0.14 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1dt7 h GLU 72 CO 0.02 0.82 0.57 0.35 -1.00 0.00 0.00 179.01 179.77 1dt7 h PHE 73 N 1.10 1.08 -0.81 4.33 3.04 -0.82 -2.47 116.94 122.39 1dt7 h PHE 73 Ca 0.28 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.26 1dt7 h PHE 73 Cb 0.04 -0.37 -0.04 0.00 2.56 0.00 0.00 35.95 38.14 1dt7 h PHE 73 CO 0.00 0.68 0.54 0.52 -2.02 0.00 0.00 178.31 178.03 1dt7 h MET 74 N 1.17 1.06 -0.22 1.11 2.86 -0.67 -2.33 114.93 117.92 1dt7 h MET 74 Ca 0.32 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.78 1dt7 h MET 74 Cb -0.14 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.27 1dt7 h MET 74 CO -0.07 0.70 -0.36 0.00 1.06 0.00 0.00 176.91 178.25 1dt7 h ALA 75 N 1.50 0.98 -1.01 6.32 0.00 -1.34 -2.96 119.26 122.75 1dt7 h ALA 75 Ca 0.30 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dt7 h ALA 75 Cb -0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1dt7 h ALA 75 CO -0.07 0.61 0.67 0.35 0.00 0.00 0.00 179.25 180.81 1dt7 h PHE 76 N 0.40 1.27 -0.87 0.00 3.57 -1.37 -1.94 116.94 118.00 1dt7 h PHE 76 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1dt7 h PHE 76 Cb 0.81 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1dt7 h PHE 76 CO 0.03 0.80 0.50 0.28 -2.23 0.00 0.00 178.31 177.69 1dt7 h VAL 77 N 1.37 1.24 -0.81 1.41 2.07 -1.41 -2.37 116.25 117.76 1dt7 h VAL 77 Ca 0.37 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1dt7 h VAL 77 Cb -0.16 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.61 1dt7 h VAL 77 CO -0.08 0.26 0.42 -1.28 0.02 0.00 0.00 177.57 176.92 1dt7 h SER 78 N 1.20 1.03 -0.22 0.57 0.87 -1.29 -2.16 113.55 113.55 1dt7 h SER 78 Ca 0.31 -0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 1dt7 h SER 78 Cb -0.02 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1dt7 h SER 78 CO -0.05 0.85 -0.28 0.24 -0.53 0.00 0.00 176.83 177.05 1dt7 h MET 79 N 1.13 0.57 -0.99 2.24 2.07 -1.27 -2.98 114.93 115.71 1dt7 h MET 79 Ca 0.28 -0.33 0.01 0.00 -2.07 0.00 0.00 59.70 57.60 1dt7 h MET 79 Cb 0.06 0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 29.77 1dt7 h MET 79 CO -0.04 0.93 0.66 0.28 1.07 0.00 0.00 176.91 179.80 1dt7 h VAL 80 N 0.26 1.26 -1.01 -2.22 2.07 -1.28 -1.46 116.25 113.87 1dt7 h VAL 80 Ca 0.03 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1dt7 h VAL 80 Cb 0.85 -0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1dt7 h VAL 80 CO 0.07 0.25 0.67 0.74 0.02 0.00 0.00 177.57 179.31 1dt7 h THR 81 N 1.35 1.26 -0.98 2.57 2.02 -1.38 -0.83 112.91 116.92 1dt7 h THR 81 Ca 0.36 -0.47 0.19 0.00 0.77 0.00 0.00 66.41 67.27 1dt7 h THR 81 Cb -0.16 -0.22 -0.09 0.00 -1.74 0.00 0.00 68.15 65.93 1dt7 h THR 81 CO -0.08 0.25 0.61 0.74 0.37 0.00 0.00 175.52 177.42 1dt7 h THR 82 N 1.37 0.70 -0.61 3.16 2.02 -1.10 0.57 112.91 119.02 1dt7 h THR 82 Ca 0.37 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 1dt7 h THR 82 Cb -0.16 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.20 1dt7 h THR 82 CO -0.08 0.12 0.20 0.00 0.37 0.00 0.00 175.52 176.14 1dt7 h ALA 83 N 1.63 1.22 -0.87 6.16 0.00 -1.07 -2.34 119.26 123.99 1dt7 h ALA 83 Ca 0.55 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1dt7 h ALA 83 Cb 0.97 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1dt7 h ALA 83 CO -0.32 0.56 0.58 0.00 0.00 0.00 0.00 179.25 180.07 1dt7 h HIS 85 N 1.18 1.20 -0.79 0.00 6.17 -0.97 2.38 115.15 124.32 1dt7 h HIS 85 Ca 0.32 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.44 1dt7 h HIS 85 Cb -0.13 -0.40 -0.04 0.00 2.52 0.00 0.00 27.41 29.35 1dt7 h HIS 85 CO -0.00 0.73 0.52 0.93 0.71 0.00 0.00 177.93 180.82 1dt7 h GLU 86 N 1.27 1.04 0.00 5.26 5.08 -1.31 -2.31 114.58 123.61 1dt7 h GLU 86 Ca 0.37 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 1dt7 h GLU 86 Cb -0.07 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.92 1dt7 h GLU 86 CO -0.10 0.69 -1.35 1.19 -1.00 0.00 0.00 179.01 178.44 1dt7 n PHE 87 N -4.41 0.91 -2.17 4.33 3.72 -0.34 -4.31 117.46 115.18 1dt7 n PHE 87 Ca 0.09 0.29 -0.41 0.00 -0.05 0.00 0.00 57.45 57.37 1dt7 n PHE 87 Cb 0.03 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 37.54 1dt7 n PHE 87 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dt7 n PHE 88 N -2.79 2.72 -2.57 1.38 -0.00 0.79 -4.92 117.46 112.06 1dt7 n PHE 88 Ca -0.07 -2.80 -0.42 0.00 -0.00 0.00 0.00 57.45 54.17 1dt7 n PHE 88 Cb 0.75 -1.86 -0.03 0.00 -0.00 0.00 0.00 39.48 38.35 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1dt7 s GLU 89 N -0.57 3.35 0.26 -4.13 2.02 -1.24 -4.78 118.70 113.61 1dt7 s GLU 89 Ca 0.47 -0.01 -0.05 0.00 0.02 0.00 0.00 54.97 55.40 1dt7 s GLU 89 Cb 0.14 -4.10 0.31 0.00 0.10 0.00 0.00 34.13 30.58 1dt7 s GLU 89 CO -0.05 -1.93 1.94 1.25 0.02 0.00 0.00 175.26 176.50 1dt7 h HIS 90 N 9.80 1.21 0.00 1.61 -0.00 -1.91 -3.53 115.15 122.32 1dt7 h HIS 90 Ca -0.27 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.13 1dt7 h HIS 90 Cb 1.05 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 1dt7 h HIS 90 CO 1.09 0.76 0.00 0.39 -0.00 0.00 0.00 177.93 180.17