#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dc5 n HIS 2 N 0.00 2.23 -4.14 5.58 -0.00 -1.26 -5.03 115.22 112.60 3dc5 n HIS 2 Ca 0.00 0.43 -0.13 0.00 -0.00 0.00 0.00 57.72 58.01 3dc5 n HIS 2 Cb 0.00 -2.34 -0.11 0.00 -0.00 0.00 0.00 29.99 27.54 3dc5 n HIS 2 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 3dc5 s THR 3 N -1.31 0.78 -0.21 1.59 -4.23 -1.26 -4.93 115.64 106.07 3dc5 s THR 3 Ca 0.75 -1.53 -0.29 0.00 -1.18 0.00 0.00 61.69 59.43 3dc5 s THR 3 Cb -0.41 -1.21 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 3dc5 s THR 3 CO 0.47 -0.56 1.49 -0.22 -0.54 0.00 0.00 174.62 175.25 3dc5 s LEU 4 N -2.30 3.99 0.40 4.79 2.96 -1.26 -5.00 118.68 122.26 3dc5 s LEU 4 Ca 0.02 1.61 -0.25 0.00 -0.22 0.00 0.00 54.13 55.30 3dc5 s LEU 4 Cb -0.03 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.04 3dc5 s LEU 4 CO -0.01 -1.09 1.11 -2.16 -1.32 0.00 0.00 176.35 172.88 3dc5 s PRO 5 N 4.28 4.11 0.51 0.98 0.04 -1.26 -5.00 135.00 138.65 3dc5 s PRO 5 Ca 0.65 1.67 -0.21 0.00 0.04 0.00 0.00 61.00 63.15 3dc5 s PRO 5 Cb -0.23 -2.61 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 3dc5 s PRO 5 CO 0.25 -0.23 1.20 -0.51 0.04 0.00 0.00 177.00 177.75 3dc5 s ASP 6 N -1.35 5.77 0.64 6.66 -0.00 -1.26 -5.00 116.67 122.13 3dc5 s ASP 6 Ca 0.57 2.37 -0.17 0.00 -0.00 0.00 0.00 52.55 55.33 3dc5 s ASP 6 Cb -0.26 -2.60 -0.01 0.00 -0.00 0.00 0.00 42.92 40.04 3dc5 s ASP 6 CO 0.33 -1.20 1.16 -0.76 -0.00 0.00 0.00 175.17 174.70 3dc5 s LEU 7 N -3.43 3.50 -0.02 1.23 1.43 -1.26 -4.93 118.68 115.20 3dc5 s LEU 7 Ca 0.69 2.21 0.04 0.00 -1.03 0.00 0.00 54.13 56.04 3dc5 s LEU 7 Cb -0.30 -4.58 0.15 0.00 0.03 0.00 0.00 46.19 41.50 3dc5 s LEU 7 CO 0.35 -1.70 1.01 -0.81 0.23 0.00 0.00 176.35 175.43 3dc5 n PRO 8 N -2.10 1.52 -3.92 1.29 -0.04 -1.26 -4.88 135.00 125.60 3dc5 n PRO 8 Ca 0.12 -0.61 -0.08 0.00 -0.04 0.00 0.00 63.50 62.89 3dc5 n PRO 8 Cb 0.51 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 3dc5 n PRO 8 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3dc5 s PHE 9 N -1.66 0.14 0.58 0.54 -0.71 -1.26 -5.11 117.98 110.50 3dc5 s PHE 9 Ca 0.11 -0.57 -0.10 0.00 -1.04 0.00 0.00 56.93 55.33 3dc5 s PHE 9 Cb 0.07 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 3dc5 s PHE 9 CO 0.06 -1.17 0.97 -0.51 -1.34 0.00 0.00 175.22 173.22 3dc5 s ASP 10 N -2.99 6.26 0.53 1.98 1.01 -1.26 -4.97 116.67 117.23 3dc5 s ASP 10 Ca 0.17 1.31 0.23 0.00 0.71 0.00 0.00 52.55 54.97 3dc5 s ASP 10 Cb -0.03 -2.42 1.39 0.00 1.01 0.00 0.00 42.92 42.87 3dc5 s ASP 10 CO 0.09 -0.78 2.05 1.88 0.21 0.00 0.00 175.17 178.62 3dc5 h TYR 11 N -0.11 0.00 -0.19 4.23 0.05 -1.97 -1.89 116.97 117.09 3dc5 h TYR 11 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3dc5 h TYR 11 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 3dc5 h TYR 11 CO 0.64 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.75 3dc5 n ALA 12 N -2.58 2.46 0.35 3.88 0.00 -1.26 -4.02 120.51 119.34 3dc5 n ALA 12 Ca 0.05 -0.77 0.14 0.00 0.00 0.00 0.00 53.44 52.87 3dc5 n ALA 12 Cb 0.44 -0.90 0.58 0.00 0.00 0.00 0.00 19.45 19.56 3dc5 n ALA 12 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3dc5 h ASP 13 N 4.16 0.00 0.00 0.00 5.19 -1.68 -2.75 116.42 121.34 3dc5 h ASP 13 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3dc5 h ASP 13 Cb 0.90 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.41 3dc5 h ASP 13 CO 0.00 0.00 -0.07 0.18 -3.12 0.00 0.00 179.24 176.23 3dc5 n LEU 14 N -2.64 2.16 -4.76 1.55 4.77 -1.26 -4.36 117.00 112.45 3dc5 n LEU 14 Ca 0.02 -0.72 -0.38 0.00 -0.03 0.00 0.00 56.01 54.90 3dc5 n LEU 14 Cb 0.27 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3dc5 n LEU 14 CO 0.24 0.37 0.89 -1.61 -1.33 0.00 0.00 177.39 175.95 3dc5 s GLU 15 N -2.10 3.48 0.00 3.23 2.02 -1.04 -0.85 118.70 123.44 3dc5 s GLU 15 Ca 0.30 1.97 0.08 0.00 0.02 0.00 0.00 54.97 57.34 3dc5 s GLU 15 Cb 0.20 -2.33 0.25 0.00 0.10 0.00 0.00 34.13 32.35 3dc5 s GLU 15 CO 0.36 -0.83 1.19 -0.35 0.02 0.00 0.00 175.26 175.65 3dc5 n PRO 16 N -0.74 1.48 0.05 0.39 -0.04 -1.26 -4.90 135.00 129.98 3dc5 n PRO 16 Ca 0.09 -0.75 -0.20 0.00 -0.04 0.00 0.00 63.50 62.60 3dc5 n PRO 16 Cb 0.47 -1.18 -0.14 0.00 -0.04 0.00 0.00 33.50 32.61 3dc5 n PRO 16 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3dc5 h VAL 17 N 1.24 1.47 -3.47 0.52 2.07 -1.38 -3.44 116.25 113.26 3dc5 h VAL 17 Ca 0.00 -2.44 -0.37 0.00 0.82 0.00 0.00 66.70 64.71 3dc5 h VAL 17 Cb 0.28 3.03 -0.34 0.00 -1.52 0.00 0.00 31.29 32.74 3dc5 h VAL 17 CO 0.00 0.70 -0.76 -0.63 0.02 0.00 0.00 177.57 176.90 3dc5 s ILE 18 N -2.65 0.32 0.65 4.57 1.01 -0.82 -4.96 121.20 119.33 3dc5 s ILE 18 Ca -0.13 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 3dc5 s ILE 18 Cb 0.02 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 3dc5 s ILE 18 CO 0.84 0.18 1.08 -0.94 0.00 0.00 0.00 174.94 176.10 3dc5 s SER 19 N 1.04 5.34 0.18 3.58 1.04 -1.26 -2.88 113.70 120.74 3dc5 s SER 19 Ca -0.09 1.85 -0.17 0.00 0.48 0.00 0.00 55.95 58.02 3dc5 s SER 19 Cb -0.14 -2.53 0.14 0.00 0.10 0.00 0.00 66.02 63.59 3dc5 s SER 19 CO -0.01 -1.47 1.64 -0.74 0.98 0.00 0.00 173.24 173.63 3dc5 h HIS 20 N -0.05 -0.41 -0.89 5.02 2.76 -1.89 -1.41 115.15 118.28 3dc5 h HIS 20 Ca -0.46 0.05 0.05 0.00 -2.20 0.00 0.00 60.37 57.80 3dc5 h HIS 20 Cb 1.23 0.25 -0.06 0.00 1.55 0.00 0.00 27.41 30.39 3dc5 h HIS 20 CO 0.58 -0.26 0.57 1.49 -1.30 0.00 0.00 177.93 179.01 3dc5 h GLU 21 N -0.07 1.05 0.18 5.26 4.81 -1.93 -0.18 114.58 123.70 3dc5 h GLU 21 Ca 0.23 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3dc5 h GLU 21 Cb 0.41 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3dc5 h GLU 21 CO -0.52 0.69 -0.09 0.82 -0.73 0.00 0.00 179.01 179.19 3dc5 h ILE 22 N 1.08 0.88 -0.78 2.32 2.04 -1.86 -0.74 117.51 120.46 3dc5 h ILE 22 Ca 0.37 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3dc5 h ILE 22 Cb 0.07 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3dc5 h ILE 22 CO -0.14 0.07 0.43 0.24 0.00 0.00 0.00 178.15 178.75 3dc5 h MET 23 N -0.39 0.71 0.16 2.37 2.86 -0.94 0.56 114.93 120.25 3dc5 h MET 23 Ca -0.02 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3dc5 h MET 23 Cb 0.30 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3dc5 h MET 23 CO 0.04 0.47 -0.08 0.37 1.06 0.00 0.00 176.91 178.78 3dc5 h GLN 24 N 0.73 -0.20 -0.28 1.72 4.15 -0.90 -0.65 115.11 119.68 3dc5 h GLN 24 Ca 0.37 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.78 3dc5 h GLN 24 Cb 0.34 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3dc5 h GLN 24 CO -0.24 0.01 0.08 -0.07 -1.93 0.00 0.00 178.83 176.68 3dc5 h LEU 25 N -0.39 0.42 -0.82 -2.39 3.38 -0.79 -0.05 115.31 114.67 3dc5 h LEU 25 Ca -0.02 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3dc5 h LEU 25 Cb 0.31 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3dc5 h LEU 25 CO 0.04 0.53 0.53 -0.74 0.09 0.00 0.00 178.44 178.89 3dc5 h HIS 26 N 0.30 1.00 0.00 1.13 2.76 0.22 -0.73 115.15 119.82 3dc5 h HIS 26 Ca 0.09 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 3dc5 h HIS 26 Cb 0.27 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 3dc5 h HIS 26 CO 0.01 0.59 -0.14 1.25 -1.30 0.00 0.00 177.93 178.34 3dc5 h HIS 27 N 1.05 0.00 0.00 5.26 -0.00 -1.06 -0.87 115.15 119.52 3dc5 h HIS 27 Ca 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.65 3dc5 h HIS 27 Cb -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 3dc5 h HIS 27 CO -0.02 0.63 -0.16 1.96 -0.00 0.00 0.00 177.93 180.34 3dc5 h GLN 28 N -1.00 0.00 0.00 5.26 4.20 -1.02 -2.71 115.11 119.84 3dc5 h GLN 28 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3dc5 h GLN 28 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3dc5 h GLN 28 CO -0.02 0.16 -0.31 1.63 -0.67 0.00 0.00 178.83 179.61 3dc5 n LYS 29 N -3.18 0.17 0.22 1.46 4.76 -0.36 -4.48 118.16 116.76 3dc5 n LYS 29 Ca 0.02 0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.38 3dc5 n LYS 29 Cb 0.53 -0.70 -0.08 0.00 -1.84 0.00 0.00 35.03 32.94 3dc5 n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3dc5 h HIS 30 N -0.31 -0.51 -0.40 2.13 3.86 -1.34 0.44 115.15 119.02 3dc5 h HIS 30 Ca 0.00 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 3dc5 h HIS 30 Cb 0.31 0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3dc5 h HIS 30 CO -0.13 -0.22 -0.11 1.25 0.86 0.00 0.00 177.93 179.58 3dc5 h HIS 31 N -0.76 0.87 -0.75 2.45 -0.00 -1.17 -2.48 115.15 113.31 3dc5 h HIS 31 Ca -0.06 -0.19 0.13 0.00 -0.00 0.00 0.00 60.37 60.26 3dc5 h HIS 31 Cb 0.53 -0.21 -0.09 0.00 -0.00 0.00 0.00 27.41 27.63 3dc5 h HIS 31 CO -0.00 0.91 0.32 0.00 -0.00 0.00 0.00 177.93 179.16 3dc5 h ALA 32 N 0.84 1.06 -0.74 5.26 0.00 -1.42 -1.32 119.26 122.94 3dc5 h ALA 32 Ca 0.10 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3dc5 h ALA 32 Cb 0.63 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3dc5 h ALA 32 CO 0.04 -0.17 0.23 1.15 0.00 0.00 0.00 179.25 180.50 3dc5 h THR 33 N 0.48 1.26 -0.63 0.00 2.02 -0.53 -0.44 112.91 115.08 3dc5 h THR 33 Ca 0.41 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3dc5 h THR 33 Cb 0.58 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3dc5 h THR 33 CO -0.38 0.36 0.31 1.88 0.37 0.00 0.00 175.52 178.06 3dc5 h TYR 34 N 1.10 0.90 -0.08 3.16 0.05 -0.85 -0.61 116.97 120.64 3dc5 h TYR 34 Ca 0.24 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3dc5 h TYR 34 Cb 0.31 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 3dc5 h TYR 34 CO 0.03 0.67 0.05 0.28 -1.05 0.00 0.00 178.16 178.14 3dc5 h VAL 35 N 0.86 1.04 -0.34 -2.88 2.07 -0.88 0.12 116.25 116.24 3dc5 h VAL 35 Ca 0.22 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 3dc5 h VAL 35 Cb 0.10 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3dc5 h VAL 35 CO -0.03 0.04 0.21 0.78 0.02 0.00 0.00 177.57 178.59 3dc5 h ASN 36 N 0.08 0.41 -0.34 0.57 2.35 -0.89 -1.62 115.58 116.14 3dc5 h ASN 36 Ca 0.03 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 3dc5 h ASN 36 Cb 0.02 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3dc5 h ASN 36 CO -0.01 0.33 -0.21 0.78 -1.65 0.00 0.00 177.43 176.67 3dc5 h ASN 37 N 0.45 0.83 -0.31 5.81 -0.26 -1.06 -2.42 115.58 118.63 3dc5 h ASN 37 Ca 0.12 -0.30 0.03 0.00 -0.56 0.00 0.00 56.30 55.60 3dc5 h ASN 37 Cb -0.01 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 36.99 3dc5 h ASN 37 CO -0.02 1.02 0.11 0.25 -1.06 0.00 0.00 177.43 177.72 3dc5 h LEU 38 N 0.72 0.11 -0.78 1.61 5.85 -0.47 0.14 115.31 122.49 3dc5 h LEU 38 Ca 0.10 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3dc5 h LEU 38 Cb 0.73 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 3dc5 h LEU 38 CO 0.06 0.10 0.48 0.78 -0.34 0.00 0.00 178.44 179.52 3dc5 h ASN 39 N 0.24 0.76 -0.34 1.25 2.35 -1.11 -1.22 115.58 117.52 3dc5 h ASN 39 Ca 0.14 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 3dc5 h ASN 39 Cb 0.11 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3dc5 h ASN 39 CO -0.14 0.51 -0.14 1.56 -1.65 0.00 0.00 177.43 177.57 3dc5 h GLN 40 N 0.90 0.79 -0.14 0.81 4.20 -0.87 -2.69 115.11 118.10 3dc5 h GLN 40 Ca 0.33 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3dc5 h GLN 40 Cb 0.10 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3dc5 h GLN 40 CO -0.15 0.88 -0.15 0.82 -0.67 0.00 0.00 178.83 179.57 3dc5 h ILE 41 N 0.70 1.35 -0.95 2.54 2.04 -0.38 -1.67 117.51 121.14 3dc5 h ILE 41 Ca 0.11 -1.32 0.17 0.00 1.00 0.00 0.00 64.86 64.83 3dc5 h ILE 41 Cb 0.63 1.89 -0.08 0.00 -0.74 0.00 0.00 36.82 38.51 3dc5 h ILE 41 CO 0.04 0.39 0.60 -0.33 0.00 0.00 0.00 178.15 178.85 3dc5 h GLU 42 N -0.02 0.68 0.17 2.37 5.08 -1.23 0.54 114.58 122.16 3dc5 h GLU 42 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3dc5 h GLU 42 Cb 0.68 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3dc5 h GLU 42 CO 0.04 0.45 -0.08 0.93 -1.00 0.00 0.00 179.01 179.34 3dc5 h GLU 43 N 0.70 -0.21 -0.87 2.33 5.08 -1.08 -1.08 114.58 119.45 3dc5 h GLU 43 Ca 0.51 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 3dc5 h GLU 43 Cb 0.86 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 3dc5 h GLU 43 CO -0.27 -0.05 0.56 0.87 -1.00 0.00 0.00 179.01 179.12 3dc5 h LYS 44 N -0.34 1.15 -0.31 2.33 1.79 -0.65 -2.65 116.57 117.89 3dc5 h LYS 44 Ca -0.02 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 3dc5 h LYS 44 Cb 0.27 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3dc5 h LYS 44 CO 0.04 0.78 0.13 1.25 -1.08 0.00 0.00 179.45 180.57 3dc5 h LEU 45 N 1.18 0.41 -0.75 2.94 5.85 -0.73 -2.11 115.31 122.11 3dc5 h LEU 45 Ca 0.32 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3dc5 h LEU 45 Cb -0.10 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3dc5 h LEU 45 CO -0.06 0.45 0.50 -0.74 -0.34 0.00 0.00 178.44 178.24 3dc5 h HIS 46 N 0.35 0.95 -0.53 1.25 2.76 -0.93 0.62 115.15 119.61 3dc5 h HIS 46 Ca 0.10 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3dc5 h HIS 46 Cb 0.16 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 3dc5 h HIS 46 CO -0.01 0.60 0.34 0.93 -1.30 0.00 0.00 177.93 178.49 3dc5 h GLU 47 N 1.02 0.71 -0.10 5.26 5.08 -1.32 0.42 114.58 125.65 3dc5 h GLU 47 Ca 0.28 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3dc5 h GLU 47 Cb -0.12 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 3dc5 h GLU 47 CO -0.06 0.48 0.02 0.00 -1.00 0.00 0.00 179.01 178.45 3dc5 h ALA 48 N 1.18 0.13 -0.37 3.43 0.00 -0.96 -1.28 119.26 121.39 3dc5 h ALA 48 Ca 0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3dc5 h ALA 48 Cb -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dc5 h ALA 48 CO -0.04 -0.22 -0.06 -0.24 0.00 0.00 0.00 179.25 178.69 3dc5 h VAL 49 N -0.07 1.27 -0.08 0.00 3.04 -0.70 0.44 116.25 120.15 3dc5 h VAL 49 Ca 0.03 -1.11 -0.09 0.00 -1.01 0.00 0.00 66.70 64.52 3dc5 h VAL 49 Cb 0.28 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 3dc5 h VAL 49 CO 0.00 0.37 -0.35 0.77 -1.01 0.00 0.00 177.57 177.35 3dc5 h SER 50 N 0.50 0.17 0.30 3.17 4.64 -0.18 -2.55 113.55 119.60 3dc5 h SER 50 Ca 0.10 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3dc5 h SER 50 Cb 0.56 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3dc5 h SER 50 CO 0.03 0.52 -0.17 0.29 -0.87 0.00 0.00 176.83 176.63 3dc5 n LYS 51 N -4.09 0.78 -1.40 4.77 5.02 -0.49 -4.94 118.16 117.82 3dc5 n LYS 51 Ca -0.01 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 3dc5 n LYS 51 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3dc5 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dc5 n GLY 52 N 1.30 0.44 3.20 0.72 0.00 -0.70 -4.98 105.19 105.17 3dc5 n GLY 52 Ca 0.14 -0.93 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 3dc5 n GLY 52 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dc5 n ASN 53 N 1.88 5.45 -0.33 1.61 2.85 0.15 -4.82 115.26 122.05 3dc5 n ASN 53 Ca 0.00 -3.10 0.10 0.00 -0.11 0.00 0.00 54.58 51.47 3dc5 n ASN 53 Cb 0.23 -1.46 0.27 0.00 1.24 0.00 0.00 39.78 40.07 3dc5 n ASN 53 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3dc5 h LEU 54 N 7.86 0.69 -0.42 1.20 5.85 -1.93 -0.66 115.31 127.90 3dc5 h LEU 54 Ca 0.29 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 3dc5 h LEU 54 Cb 0.76 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3dc5 h LEU 54 CO 1.32 0.27 0.23 0.50 -0.34 0.00 0.00 178.44 180.42 3dc5 h LYS 55 N 0.73 0.58 -0.55 1.25 3.64 -1.95 -0.81 116.57 119.46 3dc5 h LYS 55 Ca 0.53 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.72 3dc5 h LYS 55 Cb 0.77 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3dc5 h LYS 55 CO -0.37 0.47 -0.11 1.49 -2.27 0.00 0.00 179.45 178.66 3dc5 h GLU 56 N 0.54 1.04 -0.87 1.90 4.57 -1.73 -0.76 114.58 119.27 3dc5 h GLU 56 Ca 0.15 -0.38 0.07 0.00 -1.18 0.00 0.00 59.36 58.02 3dc5 h GLU 56 Cb 0.05 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 3dc5 h GLU 56 CO -0.02 1.08 0.54 0.00 -1.18 0.00 0.00 179.01 179.42 3dc5 h ALA 57 N 0.94 1.22 -0.49 2.92 0.00 -0.83 -1.38 119.26 121.64 3dc5 h ALA 57 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3dc5 h ALA 57 Cb 0.68 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dc5 h ALA 57 CO 0.05 0.25 0.01 0.82 0.00 0.00 0.00 179.25 180.38 3dc5 h ILE 58 N 0.95 1.26 0.00 0.00 2.04 -0.90 -2.97 117.51 117.89 3dc5 h ILE 58 Ca 0.39 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3dc5 h ILE 58 Cb 0.23 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3dc5 h ILE 58 CO -0.20 0.37 -0.00 0.00 0.00 0.00 0.00 178.15 178.32 3dc5 h ALA 59 N 0.94 1.86 -0.00 1.87 0.00 -0.33 -1.95 119.26 121.66 3dc5 h ALA 59 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dc5 h ALA 59 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3dc5 h ALA 59 CO 0.02 0.00 -0.09 1.28 0.00 0.00 0.00 179.25 180.47 3dc5 n LEU 60 N -4.34 0.13 -0.01 0.00 4.77 -0.60 -4.26 117.00 112.68 3dc5 n LEU 60 Ca -0.03 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 3dc5 n LEU 60 Cb 0.09 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 3dc5 n LEU 60 CO 0.32 0.03 0.87 1.56 -1.33 0.00 0.00 177.39 178.84 3dc5 h GLN 61 N 0.07 0.05 -0.91 3.23 4.20 -1.34 -2.03 115.11 118.38 3dc5 h GLN 61 Ca 0.00 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 3dc5 h GLN 61 Cb 0.44 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.14 3dc5 h GLN 61 CO 0.00 0.04 0.58 -1.35 -0.67 0.00 0.00 178.83 177.43 3dc5 h PRO 62 N 0.05 0.87 -0.35 1.46 0.11 -1.79 0.05 132.00 132.40 3dc5 h PRO 62 Ca 0.06 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3dc5 h PRO 62 Cb 0.07 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3dc5 h PRO 62 CO -0.10 0.57 -0.29 0.00 -0.21 0.00 0.00 178.00 177.98 3dc5 h ALA 63 N 1.55 0.84 -0.35 -0.75 0.00 -1.72 -0.23 119.26 118.59 3dc5 h ALA 63 Ca 0.43 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dc5 h ALA 63 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dc5 h ALA 63 CO -0.19 0.64 -0.02 1.25 0.00 0.00 0.00 179.25 180.93 3dc5 h LEU 64 N 0.63 0.63 -0.60 0.00 5.85 -0.67 -1.13 115.31 120.03 3dc5 h LEU 64 Ca 0.08 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3dc5 h LEU 64 Cb 0.81 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3dc5 h LEU 64 CO 0.07 0.81 0.33 0.50 -0.34 0.00 0.00 178.44 179.80 3dc5 h LYS 65 N 0.44 0.83 0.10 1.25 3.64 -0.81 0.35 116.57 122.37 3dc5 h LYS 65 Ca 0.10 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dc5 h LYS 65 Cb 0.50 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3dc5 h LYS 65 CO 0.02 0.63 -0.05 0.35 -2.27 0.00 0.00 179.45 178.13 3dc5 h PHE 66 N 0.81 -0.12 -0.01 1.91 3.04 -0.95 0.26 116.94 121.88 3dc5 h PHE 66 Ca 0.21 -0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.95 3dc5 h PHE 66 Cb 0.04 0.04 0.02 0.00 2.56 0.00 0.00 35.95 38.61 3dc5 h PHE 66 CO -0.01 0.25 -0.82 -0.91 -2.02 0.00 0.00 178.31 174.81 3dc5 h ASN 67 N -0.53 0.73 0.05 0.41 4.21 -1.19 0.41 115.58 119.67 3dc5 h ASN 67 Ca -0.01 -0.74 -0.00 0.00 1.21 0.00 0.00 56.30 56.75 3dc5 h ASN 67 Cb 0.43 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 3dc5 h ASN 67 CO 0.02 1.38 -0.02 1.23 -1.29 0.00 0.00 177.43 178.75 3dc5 h GLY 68 N 0.16 -0.07 0.49 2.83 0.00 -0.39 -1.14 103.07 104.94 3dc5 h GLY 68 Ca -0.10 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.36 3dc5 h GLY 68 CO 0.16 -0.02 0.50 -1.33 0.00 0.00 0.00 176.54 175.85 3dc5 h GLY 69 N -0.16 1.37 1.31 4.60 0.00 -0.52 -0.26 103.07 109.41 3dc5 h GLY 69 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 3dc5 h GLY 69 CO 0.01 0.12 0.20 -1.33 0.00 0.00 0.00 176.54 175.55 3dc5 h GLY 70 N 0.82 0.94 0.57 4.60 0.00 -0.56 0.13 103.07 109.57 3dc5 h GLY 70 Ca 0.42 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 3dc5 h GLY 70 CO -0.26 0.47 -0.11 0.84 0.00 0.00 0.00 176.54 177.48 3dc5 h HIS 71 N 0.86 0.22 -0.03 5.60 6.17 -0.71 -1.38 115.15 125.87 3dc5 h HIS 71 Ca 0.20 -0.08 0.03 0.00 0.71 0.00 0.00 60.37 61.23 3dc5 h HIS 71 Cb 0.22 -0.04 -0.04 0.00 2.52 0.00 0.00 27.41 30.07 3dc5 h HIS 71 CO 0.01 0.71 -0.20 0.82 0.71 0.00 0.00 177.93 179.98 3dc5 h ILE 72 N -0.33 0.51 0.39 6.26 2.04 -0.74 -1.28 117.51 124.36 3dc5 h ILE 72 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3dc5 h ILE 72 Cb 0.69 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3dc5 h ILE 72 CO 0.02 0.00 -0.19 0.78 0.00 0.00 0.00 178.15 178.77 3dc5 h ASN 73 N -0.31 -0.45 -0.39 1.72 2.35 -0.72 -2.24 115.58 115.55 3dc5 h ASN 73 Ca 0.07 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 3dc5 h ASN 73 Cb 0.40 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3dc5 h ASN 73 CO -0.21 -0.28 0.07 0.45 -1.65 0.00 0.00 177.43 175.81 3dc5 h HIS 74 N -0.58 0.75 -0.73 1.19 3.86 -1.28 -0.32 115.15 118.03 3dc5 h HIS 74 Ca -0.05 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.11 3dc5 h HIS 74 Cb 0.44 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.65 3dc5 h HIS 74 CO -0.04 0.67 0.46 0.77 0.86 0.00 0.00 177.93 180.65 3dc5 h SER 75 N 0.69 0.76 -0.20 2.45 0.02 -1.07 -1.80 113.55 114.40 3dc5 h SER 75 Ca 0.15 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3dc5 h SER 75 Cb 0.33 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3dc5 h SER 75 CO 0.01 0.52 -0.03 0.40 -1.14 0.00 0.00 176.83 176.59 3dc5 h ILE 76 N 0.90 1.27 -0.63 3.27 2.04 -1.03 -3.22 117.51 120.11 3dc5 h ILE 76 Ca 0.30 -0.96 0.12 0.00 1.00 0.00 0.00 64.86 65.31 3dc5 h ILE 76 Cb 0.02 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.52 3dc5 h ILE 76 CO -0.11 0.29 0.13 0.15 0.00 0.00 0.00 178.15 178.61 3dc5 h PHE 77 N 0.11 0.21 -0.67 1.37 3.57 -0.51 -1.25 116.94 119.76 3dc5 h PHE 77 Ca 0.05 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3dc5 h PHE 77 Cb 0.45 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3dc5 h PHE 77 CO 0.04 -0.04 0.24 -1.49 -2.23 0.00 0.00 178.31 174.83 3dc5 h TRP 78 N 0.26 1.03 0.00 0.41 -0.00 -1.35 -0.81 115.95 115.48 3dc5 h TRP 78 Ca 0.33 -0.08 0.00 0.00 -0.00 0.00 0.00 58.89 59.15 3dc5 h TRP 78 Cb 0.51 -0.31 0.00 0.00 -0.00 0.00 0.00 29.16 29.36 3dc5 h TRP 78 CO -0.26 0.80 0.00 1.79 -0.00 0.00 0.00 178.44 180.78 3dc5 h THR 79 N 0.98 0.00 -0.00 1.49 1.35 -1.31 -3.08 112.91 112.34 3dc5 h THR 79 Ca 0.22 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3dc5 h THR 79 Cb 0.23 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3dc5 h THR 79 CO -0.01 0.00 -0.10 0.59 -0.25 0.00 0.00 175.52 175.75 3dc5 n ASN 80 N -3.08 0.36 -4.40 5.36 5.03 -0.32 -4.68 115.26 113.53 3dc5 n ASN 80 Ca 0.01 -0.45 -0.30 0.00 0.87 0.00 0.00 54.58 54.71 3dc5 n ASN 80 Cb 0.30 -0.12 -0.13 0.00 -1.02 0.00 0.00 39.78 38.81 3dc5 n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3dc5 s LEU 81 N -2.52 2.39 -0.09 3.41 1.43 -1.17 0.09 118.68 122.22 3dc5 s LEU 81 Ca 0.28 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 3dc5 s LEU 81 Cb 0.20 -1.37 0.07 0.00 0.03 0.00 0.00 46.19 45.12 3dc5 s LEU 81 CO 0.48 0.23 0.70 0.00 0.23 0.00 0.00 176.35 177.99 3dc5 s ALA 82 N -0.94 -1.78 0.16 4.21 0.00 -0.20 -4.72 121.76 118.48 3dc5 s ALA 82 Ca 0.14 1.45 -0.13 0.00 0.00 0.00 0.00 51.96 53.42 3dc5 s ALA 82 Cb -0.10 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.84 3dc5 s ALA 82 CO 0.05 -0.36 1.68 -0.22 0.00 0.00 0.00 175.76 176.91 3dc5 h LYS 83 N 3.31 0.85 -3.16 0.00 3.64 -1.85 -3.36 116.57 115.99 3dc5 h LYS 83 Ca -0.27 -0.19 -0.62 0.00 -1.27 0.00 0.00 60.65 58.30 3dc5 h LYS 83 Cb 1.14 -0.12 -0.41 0.00 -0.41 0.00 0.00 32.23 32.44 3dc5 h LYS 83 CO 0.33 0.78 -0.68 0.34 -2.27 0.00 0.00 179.45 177.95 3dc5 s ASP 84 N -6.15 4.00 0.29 4.20 3.68 -1.26 -4.91 116.67 116.52 3dc5 s ASP 84 Ca -0.13 -2.92 0.24 0.00 2.13 0.00 0.00 52.55 51.88 3dc5 s ASP 84 Cb 0.12 -1.35 0.53 0.00 -1.45 0.00 0.00 42.92 40.77 3dc5 s ASP 84 CO 0.80 -0.23 1.62 1.23 0.13 0.00 0.00 175.17 178.72 3dc5 h GLY 85 N 6.49 0.00 0.00 2.66 0.00 -1.74 -3.49 103.07 106.99 3dc5 h GLY 85 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3dc5 h GLY 85 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 3dc5 n GLY 86 N 1.22 -0.62 3.32 4.60 0.00 -1.26 -2.07 105.19 110.37 3dc5 n GLY 86 Ca 0.04 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 3dc5 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dc5 s GLU 87 N 0.00 1.28 0.68 1.61 8.01 -1.26 -4.66 118.70 124.36 3dc5 s GLU 87 Ca 0.00 -1.61 -0.17 0.00 0.01 0.00 0.00 54.97 53.20 3dc5 s GLU 87 Cb 0.00 -0.79 -0.00 0.00 -4.31 0.00 0.00 34.13 29.03 3dc5 s GLU 87 CO 0.00 0.03 1.09 -2.30 0.01 0.00 0.00 175.26 174.09 3dc5 n PRO 88 N -0.37 0.76 -0.86 0.39 -0.02 -1.26 -4.52 135.00 129.12 3dc5 n PRO 88 Ca -0.07 0.32 -0.29 0.00 -2.02 0.00 0.00 63.50 61.44 3dc5 n PRO 88 Cb 0.62 -2.33 0.21 0.00 -0.02 0.00 0.00 33.50 31.98 3dc5 n PRO 88 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dc5 s SER 89 N -1.51 1.95 0.17 2.55 1.04 -1.26 -4.74 113.70 111.90 3dc5 s SER 89 Ca 0.77 1.43 -0.14 0.00 0.48 0.00 0.00 55.95 58.49 3dc5 s SER 89 Cb -0.37 -2.14 0.05 0.00 0.10 0.00 0.00 66.02 63.67 3dc5 s SER 89 CO 0.46 -3.58 1.80 0.07 0.98 0.00 0.00 173.24 172.96 3dc5 h LYS 90 N -2.20 0.70 -0.66 4.02 -0.00 -1.99 -1.11 116.57 115.32 3dc5 h LYS 90 Ca -0.57 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.65 60.02 3dc5 h LYS 90 Cb 1.32 -0.15 -0.03 0.00 -0.00 0.00 0.00 32.23 33.38 3dc5 h LYS 90 CO 0.53 0.51 0.41 1.05 -0.00 0.00 0.00 179.45 181.95 3dc5 h GLU 91 N 0.69 0.89 -0.13 0.07 4.11 -1.99 -1.30 114.58 116.91 3dc5 h GLU 91 Ca 0.18 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.48 3dc5 h GLU 91 Cb -0.00 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3dc5 h GLU 91 CO -0.03 0.62 -0.16 1.25 0.07 0.00 0.00 179.01 180.76 3dc5 h LEU 92 N 0.90 0.37 -0.51 3.06 5.85 -1.89 -1.85 115.31 121.23 3dc5 h LEU 92 Ca 0.24 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.53 3dc5 h LEU 92 Cb -0.05 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3dc5 h LEU 92 CO -0.05 0.79 0.17 -0.03 -0.34 0.00 0.00 178.44 178.98 3dc5 h MET 93 N -0.05 0.33 -0.74 1.25 4.05 -1.09 0.36 114.93 119.04 3dc5 h MET 93 Ca 0.02 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 3dc5 h MET 93 Cb 0.70 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.38 3dc5 h MET 93 CO 0.04 0.22 0.46 -0.44 0.23 0.00 0.00 176.91 177.41 3dc5 h ASP 94 N 0.34 0.74 -0.32 1.39 3.32 -1.21 0.71 116.42 121.39 3dc5 h ASP 94 Ca 0.25 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.14 3dc5 h ASP 94 Cb 0.29 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3dc5 h ASP 94 CO -0.27 0.51 -0.44 0.74 -1.72 0.00 0.00 179.24 178.06 3dc5 h THR 95 N 0.88 1.28 -0.30 0.35 2.02 -0.45 -0.43 112.91 116.26 3dc5 h THR 95 Ca 0.30 -1.62 0.02 0.00 0.77 0.00 0.00 66.41 65.89 3dc5 h THR 95 Cb 0.06 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3dc5 h THR 95 CO -0.13 0.53 0.15 0.40 0.37 0.00 0.00 175.52 176.85 3dc5 h ILE 96 N 0.71 1.00 -0.95 3.11 2.04 0.18 -1.09 117.51 122.52 3dc5 h ILE 96 Ca 0.05 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3dc5 h ILE 96 Cb 1.03 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3dc5 h ILE 96 CO 0.10 0.06 0.63 0.11 0.00 0.00 0.00 178.15 179.05 3dc5 h LYS 97 N 0.32 1.23 -0.11 2.37 1.57 -0.69 0.14 116.57 121.39 3dc5 h LYS 97 Ca 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3dc5 h LYS 97 Cb 0.03 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 3dc5 h LYS 97 CO -0.08 0.81 0.04 -0.09 -0.57 0.00 0.00 179.45 179.56 3dc5 h ARG 98 N 1.27 0.18 0.00 3.15 2.43 -0.45 -0.58 114.38 120.37 3dc5 h ARG 98 Ca 0.35 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3dc5 h ARG 98 Cb -0.12 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3dc5 h ARG 98 CO -0.08 0.32 -1.10 -0.25 -1.51 0.00 0.00 179.97 177.34 3dc5 n ASP 99 N -4.88 0.59 0.00 -3.80 8.00 -0.47 -4.41 116.55 111.58 3dc5 n ASP 99 Ca -0.06 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.25 3dc5 n ASP 99 Cb 0.13 0.88 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 3dc5 n ASP 99 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3dc5 n PHE 100 N -2.01 0.00 0.00 1.24 3.01 0.48 -5.03 117.46 115.15 3dc5 n PHE 100 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3dc5 n PHE 100 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 3dc5 n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dc5 n GLY 101 N 0.15 2.23 3.47 1.37 0.00 -0.23 -4.49 105.19 107.68 3dc5 n GLY 101 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 3dc5 n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dc5 s SER 102 N 0.00 -0.28 0.24 1.61 1.04 -1.26 -4.49 113.70 110.56 3dc5 s SER 102 Ca 0.00 -0.40 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 3dc5 s SER 102 Cb 0.00 0.56 0.24 0.00 0.10 0.00 0.00 66.02 66.91 3dc5 s SER 102 CO 0.00 -1.00 1.90 0.25 0.98 0.00 0.00 173.24 175.37 3dc5 h LEU 103 N 2.22 1.13 -0.65 2.42 5.85 -1.91 -2.10 115.31 122.26 3dc5 h LEU 103 Ca -0.30 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.45 3dc5 h LEU 103 Cb 1.27 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 3dc5 h LEU 103 CO 0.39 0.84 0.30 0.44 -0.34 0.00 0.00 178.44 180.08 3dc5 h ASP 104 N 1.31 0.38 -0.42 1.25 3.45 -1.96 0.78 116.42 121.21 3dc5 h ASP 104 Ca 0.35 0.06 -0.06 0.00 0.43 0.00 0.00 57.03 57.81 3dc5 h ASP 104 Cb -0.10 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 3dc5 h ASP 104 CO -0.07 0.23 0.04 0.78 -1.57 0.00 0.00 179.24 178.64 3dc5 h ASN 105 N 0.53 0.70 -0.29 6.45 2.35 -1.76 -1.00 115.58 122.57 3dc5 h ASN 105 Ca 0.32 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3dc5 h ASN 105 Cb 0.33 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3dc5 h ASN 105 CO -0.26 0.81 0.16 0.25 -1.65 0.00 0.00 177.43 176.74 3dc5 h LEU 106 N 0.57 0.27 -0.42 1.61 5.85 -0.87 -0.53 115.31 121.78 3dc5 h LEU 106 Ca 0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3dc5 h LEU 106 Cb 0.43 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3dc5 h LEU 106 CO 0.01 0.20 0.23 1.56 -0.34 0.00 0.00 178.44 180.10 3dc5 h GLN 107 N 0.34 0.59 -0.11 1.25 4.20 -0.70 0.41 115.11 121.08 3dc5 h GLN 107 Ca 0.11 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3dc5 h GLN 107 Cb 0.00 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3dc5 h GLN 107 CO -0.06 0.47 0.07 -0.22 -0.67 0.00 0.00 178.83 178.43 3dc5 h LYS 108 N 0.54 0.15 -0.49 1.46 3.64 -1.04 0.16 116.57 120.99 3dc5 h LYS 108 Ca 0.15 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3dc5 h LYS 108 Cb 0.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3dc5 h LYS 108 CO -0.02 0.13 0.11 0.00 -2.27 0.00 0.00 179.45 177.39 3dc5 h ARG 109 N 0.13 0.79 -0.28 1.90 3.08 -0.77 0.30 114.38 119.55 3dc5 h ARG 109 Ca 0.04 -0.20 -0.16 0.00 0.07 0.00 0.00 59.98 59.74 3dc5 h ARG 109 Cb 0.01 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3dc5 h ARG 109 CO -0.01 0.78 -0.44 1.25 -1.07 0.00 0.00 179.97 180.48 3dc5 h LEU 110 N 0.67 0.86 -0.70 3.04 5.85 -0.87 -2.18 115.31 121.99 3dc5 h LEU 110 Ca 0.15 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.39 3dc5 h LEU 110 Cb 0.35 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3dc5 h LEU 110 CO 0.00 1.21 0.42 0.28 -0.34 0.00 0.00 178.44 180.02 3dc5 h SER 111 N 0.54 0.68 0.16 1.25 0.02 -0.55 -1.28 113.55 114.37 3dc5 h SER 111 Ca 0.02 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3dc5 h SER 111 Cb 1.04 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3dc5 h SER 111 CO 0.10 0.46 -0.08 0.44 -1.14 0.00 0.00 176.83 176.61 3dc5 h ASP 112 N 0.81 -0.18 0.27 3.07 3.32 -0.74 0.14 116.42 123.11 3dc5 h ASP 112 Ca 0.29 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 3dc5 h ASP 112 Cb 0.08 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3dc5 h ASP 112 CO -0.13 -0.06 -0.38 0.16 -1.72 0.00 0.00 179.24 177.11 3dc5 h ILE 113 N -0.29 1.29 -0.24 0.35 3.07 -1.31 -2.01 117.51 118.36 3dc5 h ILE 113 Ca -0.02 -1.39 -0.08 0.00 1.55 0.00 0.00 64.86 64.92 3dc5 h ILE 113 Cb 0.23 1.65 -0.01 0.00 -0.27 0.00 0.00 36.82 38.42 3dc5 h ILE 113 CO 0.04 0.41 -0.16 0.74 -1.05 0.00 0.00 178.15 178.13 3dc5 h THR 114 N 0.13 1.31 -0.80 0.16 2.02 -0.93 -2.89 112.91 111.92 3dc5 h THR 114 Ca 0.01 -1.27 0.04 0.00 0.77 0.00 0.00 66.41 65.96 3dc5 h THR 114 Cb 0.73 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 3dc5 h THR 114 CO 0.05 0.39 0.52 0.40 0.37 0.00 0.00 175.52 177.26 3dc5 h ILE 115 N 0.25 1.12 0.00 3.11 2.04 -0.54 -2.50 117.51 120.99 3dc5 h ILE 115 Ca 0.05 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3dc5 h ILE 115 Cb 0.68 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3dc5 h ILE 115 CO 0.04 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.37 3dc5 n ALA 116 N -2.42 2.13 -1.66 1.87 0.00 -0.77 -4.85 120.51 114.81 3dc5 n ALA 116 Ca 0.10 -0.09 -0.50 0.00 0.00 0.00 0.00 53.44 52.95 3dc5 n ALA 116 Cb 0.12 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 3dc5 n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dc5 n VAL 117 N -1.41 0.19 -3.02 0.00 0.31 -0.94 -4.92 118.33 108.53 3dc5 n VAL 117 Ca 0.08 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.96 3dc5 n VAL 117 Cb 0.24 -1.39 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 3dc5 n VAL 117 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3dc5 s GLN 118 N 1.98 4.01 2.79 5.55 -0.21 -1.26 -4.87 119.66 127.65 3dc5 s GLN 118 Ca 0.87 0.55 0.00 0.00 0.02 0.00 0.00 55.36 56.80 3dc5 s GLN 118 Cb -0.81 -3.70 0.00 0.00 1.00 0.00 0.00 33.01 29.50 3dc5 s GLN 118 CO 0.48 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 3dc5 n GLY 119 N 4.19 -0.09 3.83 3.09 0.00 -1.26 -4.90 105.19 110.05 3dc5 n GLY 119 Ca 0.02 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 3dc5 n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dc5 s SER 120 N -4.00 6.97 0.00 1.61 0.01 -1.26 -4.82 113.70 112.21 3dc5 s SER 120 Ca 0.00 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.52 3dc5 s SER 120 Cb 0.00 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3dc5 s SER 120 CO 0.00 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.36 3dc5 n GLY 121 N 0.92 -1.16 3.04 3.44 0.00 -1.26 -0.97 105.19 109.19 3dc5 n GLY 121 Ca -0.05 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 3dc5 n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dc5 s TRP 122 N -3.00 0.17 0.02 1.61 0.52 -0.08 -1.11 118.94 117.08 3dc5 s TRP 122 Ca 0.00 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.78 3dc5 s TRP 122 Cb 0.00 -0.13 -0.03 0.00 -1.15 0.00 0.00 33.47 32.15 3dc5 s TRP 122 CO 0.00 -0.24 -0.08 0.20 0.02 0.00 0.00 176.95 176.85 3dc5 s GLY 123 N -1.46 1.74 0.01 0.98 0.00 0.01 -1.11 107.32 107.48 3dc5 s GLY 123 Ca -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.50 3dc5 s GLY 123 CO -0.00 -0.96 -0.02 -0.98 0.00 0.00 0.00 173.10 171.14 3dc5 s TRP 124 N -1.03 0.15 -0.25 1.90 0.52 0.13 -0.87 118.94 119.49 3dc5 s TRP 124 Ca 0.18 -0.14 -0.10 0.00 0.02 0.00 0.00 56.10 56.06 3dc5 s TRP 124 Cb -0.11 -0.10 -0.05 0.00 -1.15 0.00 0.00 33.47 32.06 3dc5 s TRP 124 CO 0.09 -0.04 0.15 -1.17 0.02 0.00 0.00 176.95 175.99 3dc5 s LEU 125 N -0.38 4.00 0.24 2.99 2.96 0.21 -1.73 118.68 126.97 3dc5 s LEU 125 Ca -0.03 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 3dc5 s LEU 125 Cb -0.03 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 3dc5 s LEU 125 CO -0.00 0.04 0.08 -0.83 -1.32 0.00 0.00 176.35 174.32 3dc5 s GLY 126 N 1.23 1.66 -0.15 7.98 0.00 -0.11 -0.89 107.32 117.03 3dc5 s GLY 126 Ca 0.07 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 42.98 3dc5 s GLY 126 CO 0.06 -1.58 -0.19 -0.47 0.00 0.00 0.00 173.10 170.91 3dc5 s TYR 127 N -3.75 2.72 -0.37 1.90 5.04 -0.08 -0.67 117.35 122.14 3dc5 s TYR 127 Ca 0.36 -1.29 -0.18 0.00 -2.44 0.00 0.00 57.07 53.53 3dc5 s TYR 127 Cb 0.08 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.53 3dc5 s TYR 127 CO 0.12 -0.59 0.48 0.00 -1.34 0.00 0.00 175.55 174.22 3dc5 h LYS 129 N 8.56 0.18 0.29 0.00 1.57 -1.86 0.34 116.57 125.64 3dc5 h LYS 129 Ca -0.28 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 3dc5 h LYS 129 Cb 1.12 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3dc5 h LYS 129 CO 0.77 0.69 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.99 3dc5 h LYS 130 N 0.13 -0.37 -0.01 3.15 1.63 -1.92 -3.26 116.57 115.93 3dc5 h LYS 130 Ca -0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3dc5 h LYS 130 Cb 1.03 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 3dc5 h LYS 130 CO 0.08 -0.04 -0.32 -0.25 -3.45 0.00 0.00 179.45 175.47 3dc5 n ASP 131 N -5.11 0.96 -3.55 4.20 8.00 -1.24 -4.98 116.55 114.84 3dc5 n ASP 131 Ca -0.09 -0.80 -0.19 0.00 0.71 0.00 0.00 54.79 54.42 3dc5 n ASP 131 Cb 0.26 0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3dc5 n ASP 131 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dc5 n LYS 132 N -0.80 -5.45 -3.99 -1.24 5.02 0.12 -5.01 118.16 106.81 3dc5 n LYS 132 Ca 0.11 0.74 -0.09 0.00 -2.02 0.00 0.00 58.31 57.05 3dc5 n LYS 132 Cb 0.35 -5.51 -0.11 0.00 -0.02 0.00 0.00 35.03 29.74 3dc5 n LYS 132 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3dc5 s ILE 133 N -3.50 0.13 0.40 -0.18 -4.36 -1.04 -4.97 121.20 107.68 3dc5 s ILE 133 Ca 0.04 -1.05 -0.24 0.00 -0.26 0.00 0.00 60.65 59.14 3dc5 s ILE 133 Cb -0.01 -0.50 -0.09 0.00 1.25 0.00 0.00 42.46 43.11 3dc5 s ILE 133 CO 0.77 -0.58 1.04 -0.76 0.24 0.00 0.00 174.94 175.65 3dc5 s LEU 134 N -1.72 4.12 0.05 0.37 1.43 -1.26 -0.68 118.68 120.99 3dc5 s LEU 134 Ca -0.12 2.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.97 3dc5 s LEU 134 Cb -0.07 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 41.89 3dc5 s LEU 134 CO -0.02 -0.49 -0.01 -0.54 0.23 0.00 0.00 176.35 175.52 3dc5 s LYS 135 N -2.57 0.63 0.14 1.70 1.02 0.16 -4.90 119.74 115.92 3dc5 s LYS 135 Ca 0.58 -1.18 0.10 0.00 0.02 0.00 0.00 55.97 55.49 3dc5 s LYS 135 Cb -0.21 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 3dc5 s LYS 135 CO 0.26 -0.13 -0.21 0.96 -0.92 0.00 0.00 175.35 175.31 3dc5 s ILE 136 N -3.89 2.59 0.21 2.17 -4.36 -1.26 -0.94 121.20 115.73 3dc5 s ILE 136 Ca 0.07 -1.69 -0.20 0.00 -0.26 0.00 0.00 60.65 58.57 3dc5 s ILE 136 Cb 0.07 -2.19 0.04 0.00 1.25 0.00 0.00 42.46 41.63 3dc5 s ILE 136 CO -0.10 0.05 0.60 0.00 0.24 0.00 0.00 174.94 175.72 3dc5 s ALA 137 N -1.24 -1.21 0.22 2.27 0.00 -0.71 -5.00 121.76 116.09 3dc5 s ALA 137 Ca 0.18 -0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.20 3dc5 s ALA 137 Cb -0.10 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 3dc5 s ALA 137 CO 0.09 -0.86 -0.17 0.95 0.00 0.00 0.00 175.76 175.78 3dc5 s THR 138 N -3.85 1.98 0.01 0.00 -4.23 -1.26 0.22 115.64 108.51 3dc5 s THR 138 Ca 0.07 -2.21 0.03 0.00 -1.18 0.00 0.00 61.69 58.40 3dc5 s THR 138 Cb -0.02 -2.08 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 3dc5 s THR 138 CO -0.03 -0.48 -0.11 0.00 -0.54 0.00 0.00 174.62 173.46 3dc5 s ALA 140 N -0.44 3.17 0.00 0.00 0.00 -1.26 -0.90 121.76 122.32 3dc5 s ALA 140 Ca 0.02 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3dc5 s ALA 140 Cb -0.05 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3dc5 s ALA 140 CO 0.00 0.13 0.00 0.09 0.00 0.00 0.00 175.76 175.98 3dc5 n ASN 141 N 0.28 0.00 -0.72 0.00 3.02 -0.15 -0.97 115.26 116.72 3dc5 n ASN 141 Ca 0.03 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.66 3dc5 n ASN 141 Cb 0.51 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.90 3dc5 n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dc5 n GLN 142 N 14.00 2.73 -1.67 3.52 1.13 -1.26 -4.18 117.38 131.65 3dc5 n GLN 142 Ca 0.00 -2.63 -0.50 0.00 -1.94 0.00 0.00 57.00 51.93 3dc5 n GLN 142 Cb 0.00 -1.68 -0.05 0.00 0.11 0.00 0.00 30.24 28.62 3dc5 n GLN 142 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3dc5 n ASP 143 N -0.45 2.95 -4.79 1.08 10.43 -0.15 -4.05 116.55 121.58 3dc5 n ASP 143 Ca 0.18 1.04 -0.33 0.00 2.57 0.00 0.00 54.79 58.25 3dc5 n ASP 143 Cb 0.76 -1.33 0.03 0.00 1.84 0.00 0.00 41.12 42.42 3dc5 n ASP 143 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3dc5 s PRO 144 N 2.59 3.09 0.04 -0.24 0.04 -1.26 -4.71 135.00 134.55 3dc5 s PRO 144 Ca 0.88 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 3dc5 s PRO 144 Cb -0.78 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.69 3dc5 s PRO 144 CO 0.49 -1.01 1.56 -1.17 0.04 0.00 0.00 177.00 176.91 3dc5 s LEU 145 N -4.67 4.35 0.18 -3.56 2.96 -1.26 -4.98 118.68 111.69 3dc5 s LEU 145 Ca 0.65 2.35 0.11 0.00 -0.22 0.00 0.00 54.13 57.02 3dc5 s LEU 145 Cb -0.18 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3dc5 s LEU 145 CO 0.39 -0.83 -0.23 -1.61 -1.32 0.00 0.00 176.35 172.75 3dc5 s GLU 146 N 2.57 1.45 0.00 1.98 2.02 -1.26 -4.71 118.70 120.75 3dc5 s GLU 146 Ca 0.70 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 54.21 3dc5 s GLU 146 Cb -0.37 -1.73 0.00 0.00 0.10 0.00 0.00 34.13 32.14 3dc5 s GLU 146 CO 0.30 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.36 3dc5 n GLY 147 N 0.34 1.66 3.38 -1.39 0.00 -1.26 -4.97 105.19 102.96 3dc5 n GLY 147 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3dc5 n GLY 147 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dc5 s MET 148 N -0.22 1.16 -0.08 1.61 0.23 -1.26 -4.72 119.30 116.02 3dc5 s MET 148 Ca 0.00 -0.50 -0.29 0.00 -1.03 0.00 0.00 55.69 53.87 3dc5 s MET 148 Cb 0.00 0.53 -0.02 0.00 -1.53 0.00 0.00 34.83 33.81 3dc5 s MET 148 CO 0.00 -0.48 0.96 0.08 -2.03 0.00 0.00 175.02 173.56 3dc5 s VAL 149 N -3.52 4.83 0.23 5.16 1.01 0.60 -4.80 120.40 123.91 3dc5 s VAL 149 Ca 0.00 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 3dc5 s VAL 149 Cb 0.00 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3dc5 s VAL 149 CO -0.10 0.06 1.26 -2.16 0.00 0.00 0.00 175.10 174.15 3dc5 s PRO 150 N 1.70 4.44 -0.07 2.72 0.04 -1.26 -0.90 135.00 141.66 3dc5 s PRO 150 Ca 0.48 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.49 3dc5 s PRO 150 Cb -0.19 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 3dc5 s PRO 150 CO 0.20 -0.15 -0.09 1.28 0.04 0.00 0.00 177.00 178.28 3dc5 n LEU 151 N 2.15 1.04 -3.71 -3.56 4.77 -0.07 -4.91 117.00 112.71 3dc5 n LEU 151 Ca 0.04 0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 3dc5 n LEU 151 Cb 0.43 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.16 3dc5 n LEU 151 CO 0.57 0.25 -0.18 0.12 -1.33 0.00 0.00 177.39 176.83 3dc5 s PHE 152 N -2.14 -0.26 0.08 -1.77 5.36 -0.94 -4.56 117.98 113.75 3dc5 s PHE 152 Ca -0.10 0.68 0.09 0.00 -0.96 0.00 0.00 56.93 56.64 3dc5 s PHE 152 Cb 0.04 -0.06 -0.04 0.00 -0.34 0.00 0.00 43.02 42.62 3dc5 s PHE 152 CO 0.14 -0.24 -0.21 0.20 -1.46 0.00 0.00 175.22 173.66 3dc5 s GLY 153 N 1.57 1.59 -0.22 13.12 0.00 -1.26 -0.62 107.32 121.50 3dc5 s GLY 153 Ca -0.06 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.37 3dc5 s GLY 153 CO -0.07 -1.24 -0.08 -0.42 0.00 0.00 0.00 173.10 171.29 3dc5 s ILE 154 N -1.00 1.58 -0.22 0.90 1.01 -0.05 -4.92 121.20 118.49 3dc5 s ILE 154 Ca 0.15 -1.12 -0.29 0.00 0.00 0.00 0.00 60.65 59.39 3dc5 s ILE 154 Cb -0.10 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3dc5 s ILE 154 CO 0.06 0.03 1.11 -0.62 0.00 0.00 0.00 174.94 175.52 3dc5 s ASP 155 N 1.39 7.02 -0.22 3.58 3.68 -1.26 -0.81 116.67 130.06 3dc5 s ASP 155 Ca -0.04 1.43 0.13 0.00 2.13 0.00 0.00 52.55 56.20 3dc5 s ASP 155 Cb -0.18 -2.54 0.46 0.00 -1.45 0.00 0.00 42.92 39.21 3dc5 s ASP 155 CO -0.07 -0.73 1.36 1.33 0.13 0.00 0.00 175.17 177.19 3dc5 n VAL 156 N 5.42 2.31 -1.95 1.11 0.24 -0.27 -4.78 118.33 120.41 3dc5 n VAL 156 Ca 0.13 -2.49 -0.38 0.00 -2.04 0.00 0.00 64.34 59.56 3dc5 n VAL 156 Cb 0.46 -0.28 0.03 0.00 -1.47 0.00 0.00 33.84 32.58 3dc5 n VAL 156 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3dc5 s TRP 157 N -3.06 2.47 0.52 6.34 0.52 -1.21 -4.43 118.94 120.09 3dc5 s TRP 157 Ca 0.41 1.44 0.16 0.00 0.02 0.00 0.00 56.10 58.13 3dc5 s TRP 157 Cb 0.36 -3.64 1.26 0.00 -1.15 0.00 0.00 33.47 30.30 3dc5 s TRP 157 CO 0.02 -2.42 2.14 0.93 0.02 0.00 0.00 176.95 177.64 3dc5 h GLU 158 N 1.57 0.02 0.00 4.98 5.08 -1.93 -0.30 114.58 124.00 3dc5 h GLU 158 Ca -0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3dc5 h GLU 158 Cb 1.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3dc5 h GLU 158 CO 0.58 0.01 0.00 -2.39 -1.00 0.00 0.00 179.01 176.21 3dc5 n HIS 159 N -4.53 0.59 0.26 4.33 1.44 -1.26 -0.32 115.22 115.73 3dc5 n HIS 159 Ca -0.02 0.24 0.15 0.00 -2.01 0.00 0.00 57.72 56.08 3dc5 n HIS 159 Cb 0.12 -0.89 0.45 0.00 0.12 0.00 0.00 29.99 29.79 3dc5 n HIS 159 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dc5 h ALA 160 N 2.27 1.00 0.00 1.59 0.00 -1.35 -3.40 119.26 119.37 3dc5 h ALA 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dc5 h ALA 160 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dc5 h ALA 160 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 179.25 181.73 3dc5 n TYR 161 N -3.07 0.00 -0.24 0.00 4.11 -0.98 -4.98 117.16 112.00 3dc5 n TYR 161 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 3dc5 n TYR 161 Cb 0.41 0.00 0.12 0.00 -0.00 0.00 0.00 39.34 39.87 3dc5 n TYR 161 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 3dc5 h TYR 162 N 0.00 0.68 -0.38 -3.48 3.20 -0.89 -0.01 116.97 116.10 3dc5 h TYR 162 Ca 0.00 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.99 3dc5 h TYR 162 Cb 0.00 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3dc5 h TYR 162 CO 0.00 0.29 0.27 -0.07 -1.64 0.00 0.00 178.16 177.01 3dc5 h LEU 163 N 0.67 0.07 0.00 2.82 3.38 -1.88 0.40 115.31 120.77 3dc5 h LEU 163 Ca 0.33 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.89 3dc5 h LEU 163 Cb 0.27 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3dc5 h LEU 163 CO -0.22 0.04 -2.49 1.67 0.09 0.00 0.00 178.44 177.53 3dc5 n GLN 164 N -4.44 0.62 0.01 1.13 7.27 -0.76 -4.66 117.38 116.54 3dc5 n GLN 164 Ca 0.06 0.19 0.11 0.00 0.07 0.00 0.00 57.00 57.42 3dc5 n GLN 164 Cb 0.40 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.48 3dc5 n GLN 164 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3dc5 n TYR 165 N -3.62 0.08 -0.11 3.69 4.02 -0.09 -5.05 117.16 116.08 3dc5 n TYR 165 Ca -0.49 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.43 3dc5 n TYR 165 Cb 0.94 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 3dc5 n TYR 165 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3dc5 n LYS 166 N -1.81 0.00 0.11 -0.72 4.01 0.13 -1.11 118.16 118.77 3dc5 n LYS 166 Ca 0.02 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.92 3dc5 n LYS 166 Cb 0.42 0.00 0.46 0.00 -0.51 0.00 0.00 35.03 35.39 3dc5 n LYS 166 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3dc5 n ASN 167 N 3.09 0.52 -3.41 4.39 6.94 -1.26 -4.32 115.26 121.20 3dc5 n ASN 167 Ca 0.00 0.66 -0.40 0.00 -0.02 0.00 0.00 54.58 54.82 3dc5 n ASN 167 Cb 0.00 -0.75 -0.02 0.00 -2.36 0.00 0.00 39.78 36.65 3dc5 n ASN 167 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3dc5 n VAL 168 N -2.10 4.70 -0.30 3.53 0.31 -0.27 -4.72 118.33 119.48 3dc5 n VAL 168 Ca 0.01 -3.38 0.13 0.00 -0.01 0.00 0.00 64.34 61.09 3dc5 n VAL 168 Cb 0.16 -2.38 0.29 0.00 -0.91 0.00 0.00 33.84 31.01 3dc5 n VAL 168 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3dc5 h ARG 169 N 4.87 0.34 -0.68 5.55 2.43 -1.82 -2.22 114.38 122.85 3dc5 h ARG 169 Ca 0.79 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.99 3dc5 h ARG 169 Cb 0.31 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3dc5 h ARG 169 CO 1.66 0.22 0.45 -1.35 -1.51 0.00 0.00 179.97 179.44 3dc5 h PRO 170 N 0.35 0.73 -0.64 0.20 0.11 -1.94 -1.07 132.00 129.74 3dc5 h PRO 170 Ca 0.55 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.53 3dc5 h PRO 170 Cb 1.05 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 3dc5 h PRO 170 CO -0.55 0.48 0.08 -0.44 -0.21 0.00 0.00 178.00 177.36 3dc5 h ASP 171 N 0.75 1.03 -0.18 -2.05 5.19 -1.80 0.24 116.42 119.59 3dc5 h ASP 171 Ca 0.28 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 3dc5 h ASP 171 Cb 0.17 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 3dc5 h ASP 171 CO -0.09 1.03 0.02 0.22 -3.12 0.00 0.00 179.24 177.31 3dc5 h TYR 172 N 1.00 0.33 -0.72 4.55 5.03 -1.34 -1.18 116.97 124.63 3dc5 h TYR 172 Ca 0.19 -0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.47 3dc5 h TYR 172 Cb 0.46 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.61 3dc5 h TYR 172 CO 0.03 0.47 0.47 0.28 -1.32 0.00 0.00 178.16 178.09 3dc5 h VAL 173 N 0.09 1.15 -0.36 1.81 2.07 -0.94 0.47 116.25 120.54 3dc5 h VAL 173 Ca 0.05 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 3dc5 h VAL 173 Cb 0.32 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3dc5 h VAL 173 CO 0.00 0.17 -0.21 0.45 0.02 0.00 0.00 177.57 178.00 3dc5 h HIS 174 N 0.93 0.80 0.00 1.57 3.86 -0.94 -3.21 115.15 118.17 3dc5 h HIS 174 Ca 0.27 -0.17 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 3dc5 h HIS 174 Cb -0.06 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 3dc5 h HIS 174 CO -0.03 0.86 -0.53 0.00 0.86 0.00 0.00 177.93 179.10 3dc5 h ALA 175 N 1.14 0.75 0.00 2.45 0.00 -0.70 -3.25 119.26 119.65 3dc5 h ALA 175 Ca 0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3dc5 h ALA 175 Cb 0.70 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3dc5 h ALA 175 CO 0.05 0.66 -0.05 0.97 0.00 0.00 0.00 179.25 180.88 3dc5 h ILE 176 N 0.00 0.62 0.00 0.00 2.10 -0.92 -1.55 117.51 117.76 3dc5 h ILE 176 Ca -0.01 -0.19 -0.00 0.00 1.08 0.00 0.00 64.86 65.74 3dc5 h ILE 176 Cb 1.25 1.12 -0.00 0.00 -1.09 0.00 0.00 36.82 38.10 3dc5 h ILE 176 CO 0.07 0.05 -0.02 -0.50 -1.08 0.00 0.00 178.15 176.67 3dc5 h TRP 177 N 0.00 0.00 0.00 2.19 4.06 -1.71 -0.95 115.95 119.54 3dc5 h TRP 177 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3dc5 h TRP 177 Cb 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.27 3dc5 h TRP 177 CO 0.00 0.02 -0.16 0.87 -3.56 0.00 0.00 178.44 175.61 3dc5 h LYS 178 N 0.00 0.00 -0.07 0.49 1.57 -1.51 -2.97 116.57 114.08 3dc5 h LYS 178 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dc5 h LYS 178 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3dc5 h LYS 178 CO 0.00 0.16 0.00 0.44 -0.57 0.00 0.00 179.45 179.48 3dc5 n ILE 179 N -3.52 1.26 -1.70 1.86 -5.35 -0.41 -4.78 119.36 106.72 3dc5 n ILE 179 Ca -0.01 -1.31 -0.43 0.00 -0.27 0.00 0.00 62.75 60.73 3dc5 n ILE 179 Cb 0.31 0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 38.48 3dc5 n ILE 179 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dc5 n ALA 180 N -0.53 2.35 -2.96 -1.28 0.00 -0.89 -1.04 120.51 116.16 3dc5 n ALA 180 Ca 0.06 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.45 3dc5 n ALA 180 Cb 0.40 -2.51 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 3dc5 n ALA 180 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3dc5 s ASN 181 N 1.57 6.95 0.55 0.00 2.47 0.11 -4.26 114.94 122.32 3dc5 s ASN 181 Ca 0.78 -2.73 0.22 0.00 0.42 0.00 0.00 52.86 51.55 3dc5 s ASN 181 Cb -0.54 -2.39 1.46 0.00 -1.45 0.00 0.00 41.25 38.33 3dc5 s ASN 181 CO 0.35 -0.82 2.14 -0.50 -3.72 0.00 0.00 177.10 174.56 3dc5 h TRP 182 N 7.64 0.00 -0.16 0.43 4.06 -1.68 -0.33 115.95 125.90 3dc5 h TRP 182 Ca 0.26 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.22 3dc5 h TRP 182 Cb 0.92 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.06 3dc5 h TRP 182 CO 1.11 0.00 0.06 -0.22 -3.56 0.00 0.00 178.44 175.82 3dc5 h LYS 183 N 0.00 0.13 -0.34 0.49 3.64 -1.67 0.98 116.57 119.81 3dc5 h LYS 183 Ca 0.05 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 3dc5 h LYS 183 Cb 0.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3dc5 h LYS 183 CO -0.00 0.09 -0.21 -0.97 -2.27 0.00 0.00 179.45 176.08 3dc5 h ASN 184 N 0.14 0.78 -0.47 4.20 -0.73 -1.41 -2.33 115.58 115.75 3dc5 h ASN 184 Ca 0.07 -0.43 -0.02 0.00 1.87 0.00 0.00 56.30 57.80 3dc5 h ASN 184 Cb 0.04 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.39 3dc5 h ASN 184 CO -0.07 1.04 0.23 0.40 -0.37 0.00 0.00 177.43 178.66 3dc5 h ILE 185 N 0.52 1.18 -0.28 2.57 2.04 -1.02 -1.05 117.51 121.48 3dc5 h ILE 185 Ca 0.07 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 3dc5 h ILE 185 Cb 0.77 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3dc5 h ILE 185 CO 0.06 0.20 -0.08 0.28 0.00 0.00 0.00 178.15 178.61 3dc5 h SER 186 N 0.62 0.43 -0.47 1.72 0.02 -0.78 -0.46 113.55 114.63 3dc5 h SER 186 Ca 0.16 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3dc5 h SER 186 Cb 0.11 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3dc5 h SER 186 CO -0.02 0.56 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.77 3dc5 h GLU 187 N 0.42 0.90 -0.63 3.45 5.08 -0.88 -1.31 114.58 121.62 3dc5 h GLU 187 Ca 0.08 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 3dc5 h GLU 187 Cb 0.41 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3dc5 h GLU 187 CO 0.02 1.00 0.09 0.00 -1.00 0.00 0.00 179.01 179.12 3dc5 h ARG 188 N 0.75 1.03 0.43 2.33 3.08 -0.80 -1.60 114.38 119.59 3dc5 h ARG 188 Ca 0.12 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3dc5 h ARG 188 Cb 0.67 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3dc5 h ARG 188 CO 0.05 0.95 -0.22 0.35 -1.07 0.00 0.00 179.97 180.03 3dc5 h PHE 189 N 0.97 -0.58 -0.45 3.04 3.57 -0.90 -0.05 116.94 122.53 3dc5 h PHE 189 Ca 0.19 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 3dc5 h PHE 189 Cb 0.43 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 3dc5 h PHE 189 CO 0.03 -0.36 -0.04 0.00 -2.23 0.00 0.00 178.31 175.71 3dc5 h ALA 190 N -0.04 0.37 -0.17 2.41 0.00 -1.12 -1.21 119.26 119.51 3dc5 h ALA 190 Ca -0.05 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3dc5 h ALA 190 Cb 0.47 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3dc5 h ALA 190 CO 0.08 -0.42 -0.23 -0.91 0.00 0.00 0.00 179.25 177.77 3dc5 h ASN 191 N 0.06 0.29 0.48 0.00 2.35 -1.17 -2.60 115.58 114.99 3dc5 h ASN 191 Ca 0.22 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 3dc5 h ASN 191 Cb 0.33 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3dc5 h ASN 191 CO -0.41 0.54 -0.50 0.00 -1.65 0.00 0.00 177.43 175.41 3dc5 h ALA 192 N 1.49 1.14 -0.16 -0.83 0.00 -0.14 -3.15 119.26 117.61 3dc5 h ALA 192 Ca 0.04 -0.46 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 3dc5 h ALA 192 Cb 0.57 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dc5 h ALA 192 CO 0.04 0.63 -0.75 0.00 0.00 0.00 0.00 179.25 179.17 3dc5 h ARG 193 N 0.03 0.78 0.00 0.00 3.08 -0.88 -3.47 114.38 113.91 3dc5 h ARG 193 Ca -0.00 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.43 3dc5 h ARG 193 Cb 0.90 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3dc5 h ARG 193 CO 0.07 1.23 0.00 1.04 -1.07 0.00 0.00 179.97 181.24