#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dc6 s LYS 1 N 0.00 0.98 0.31 2.12 -2.85 -1.26 -5.15 119.74 113.89 3dc6 s LYS 1 Ca 0.00 -0.61 -0.27 0.00 -1.00 0.00 0.00 55.97 54.09 3dc6 s LYS 1 Cb 0.00 0.43 -0.09 0.00 -2.06 0.00 0.00 37.83 36.11 3dc6 s LYS 1 CO 0.00 -0.36 0.98 -1.01 0.10 0.00 0.00 175.35 175.06 3dc6 s HIS 2 N -3.31 3.70 0.19 1.78 3.76 -1.26 -5.06 115.29 115.09 3dc6 s HIS 2 Ca 0.00 1.79 0.07 0.00 -0.15 0.00 0.00 55.06 56.77 3dc6 s HIS 2 Cb 0.01 -3.01 -0.05 0.00 1.11 0.00 0.00 32.58 30.64 3dc6 s HIS 2 CO -0.08 0.07 -0.14 -1.54 -0.85 0.00 0.00 174.74 172.19 3dc6 s SER 3 N -1.40 2.49 -0.27 1.40 1.04 -1.26 -4.94 113.70 110.75 3dc6 s SER 3 Ca 0.48 -0.99 -0.29 0.00 0.48 0.00 0.00 55.95 55.63 3dc6 s SER 3 Cb -0.23 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.77 3dc6 s SER 3 CO 0.29 -0.17 1.22 -0.22 0.98 0.00 0.00 173.24 175.34 3dc6 s LEU 4 N -3.18 3.97 0.44 2.42 2.96 -1.26 -5.01 118.68 119.02 3dc6 s LEU 4 Ca 0.20 1.27 -0.23 0.00 -0.22 0.00 0.00 54.13 55.16 3dc6 s LEU 4 Cb -0.01 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.06 3dc6 s LEU 4 CO 0.06 -0.94 1.13 -2.16 -1.32 0.00 0.00 176.35 173.12 3dc6 s PRO 5 N 3.85 3.88 0.44 0.98 0.04 -1.26 -4.99 135.00 137.94 3dc6 s PRO 5 Ca 0.52 1.68 -0.24 0.00 0.04 0.00 0.00 61.00 63.00 3dc6 s PRO 5 Cb -0.16 -2.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 3dc6 s PRO 5 CO 0.18 -0.42 1.23 -0.51 0.04 0.00 0.00 177.00 177.53 3dc6 s ASP 6 N -1.44 6.17 0.59 6.66 -0.00 -1.26 -5.00 116.67 122.38 3dc6 s ASP 6 Ca 0.62 2.48 -0.19 0.00 -0.00 0.00 0.00 52.55 55.46 3dc6 s ASP 6 Cb -0.26 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.92 40.00 3dc6 s ASP 6 CO 0.32 -0.93 1.22 -0.76 -0.00 0.00 0.00 175.17 175.02 3dc6 s LEU 7 N -2.79 3.69 0.00 1.23 1.43 -1.26 -4.92 118.68 116.06 3dc6 s LEU 7 Ca 0.61 2.42 0.12 0.00 -1.03 0.00 0.00 54.13 56.26 3dc6 s LEU 7 Cb -0.34 -4.56 0.72 0.00 0.03 0.00 0.00 46.19 42.04 3dc6 s LEU 7 CO 0.42 -1.58 1.27 -2.65 0.23 0.00 0.00 176.35 174.04 3dc6 n PRO 8 N -1.51 0.74 -3.96 1.29 -0.02 -1.26 -4.83 135.00 125.45 3dc6 n PRO 8 Ca 0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.53 3dc6 n PRO 8 Cb 0.49 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.68 3dc6 n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3dc6 s TYR 9 N -2.00 0.23 0.79 6.00 1.13 -1.26 -5.15 117.35 117.09 3dc6 s TYR 9 Ca 0.18 -0.62 -0.11 0.00 -1.41 0.00 0.00 57.07 55.11 3dc6 s TYR 9 Cb 0.08 0.33 0.06 0.00 -1.10 0.00 0.00 41.96 41.34 3dc6 s TYR 9 CO 0.14 -1.08 1.09 -0.51 -2.51 0.00 0.00 175.55 172.68 3dc6 s ASP 10 N -3.00 4.57 0.38 -0.18 1.01 -1.26 -4.97 116.67 113.22 3dc6 s ASP 10 Ca 0.19 1.42 0.10 0.00 0.71 0.00 0.00 52.55 54.97 3dc6 s ASP 10 Cb -0.02 -2.18 0.77 0.00 1.01 0.00 0.00 42.92 42.50 3dc6 s ASP 10 CO 0.09 -1.94 1.90 1.88 0.21 0.00 0.00 175.17 177.31 3dc6 h TYR 11 N -1.06 0.22 -0.34 4.23 0.05 -1.98 -2.32 116.97 115.77 3dc6 h TYR 11 Ca -0.46 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.29 3dc6 h TYR 11 Cb 1.26 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.93 3dc6 h TYR 11 CO 0.50 0.37 0.00 0.00 -1.05 0.00 0.00 178.16 177.98 3dc6 n ALA 12 N -2.49 2.45 0.29 3.88 0.00 -1.26 -4.11 120.51 119.28 3dc6 n ALA 12 Ca -0.01 -0.81 0.17 0.00 0.00 0.00 0.00 53.44 52.79 3dc6 n ALA 12 Cb 0.29 -0.97 0.70 0.00 0.00 0.00 0.00 19.45 19.47 3dc6 n ALA 12 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3dc6 h ASP 13 N 3.38 0.00 0.05 0.00 3.32 -1.76 -2.92 116.42 118.48 3dc6 h ASP 13 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dc6 h ASP 13 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3dc6 h ASP 13 CO 0.00 0.00 -0.44 0.18 -1.72 0.00 0.00 179.24 177.26 3dc6 n LEU 14 N -3.01 1.75 -4.77 1.55 4.77 -1.26 -4.65 117.00 111.38 3dc6 n LEU 14 Ca 0.00 -0.62 -0.40 0.00 -0.03 0.00 0.00 56.01 54.96 3dc6 n LEU 14 Cb 0.28 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3dc6 n LEU 14 CO 0.26 0.33 1.07 -1.61 -1.33 0.00 0.00 177.39 176.10 3dc6 s GLU 15 N -2.50 3.91 0.00 3.23 2.02 -0.84 -0.52 118.70 124.01 3dc6 s GLU 15 Ca 0.20 2.41 0.23 0.00 0.02 0.00 0.00 54.97 57.83 3dc6 s GLU 15 Cb 0.18 -2.80 0.99 0.00 0.10 0.00 0.00 34.13 32.60 3dc6 s GLU 15 CO 0.57 -0.63 1.68 -0.35 0.02 0.00 0.00 175.26 176.55 3dc6 n PRO 16 N 0.14 1.52 0.14 0.39 -0.04 -1.26 -4.87 135.00 131.01 3dc6 n PRO 16 Ca 0.03 -0.77 -0.25 0.00 -0.04 0.00 0.00 63.50 62.47 3dc6 n PRO 16 Cb 0.41 -1.41 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 3dc6 n PRO 16 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3dc6 h VAL 17 N 1.66 1.28 -3.33 0.52 2.07 -1.20 -3.43 116.25 113.83 3dc6 h VAL 17 Ca 0.00 -2.67 -0.45 0.00 0.82 0.00 0.00 66.70 64.40 3dc6 h VAL 17 Cb 0.36 3.01 -0.36 0.00 -1.52 0.00 0.00 31.29 32.78 3dc6 h VAL 17 CO 0.00 0.80 -0.78 -0.63 0.02 0.00 0.00 177.57 176.98 3dc6 s ILE 18 N -2.64 0.64 0.70 4.57 1.01 -0.41 -4.95 121.20 120.11 3dc6 s ILE 18 Ca -0.09 -0.10 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 3dc6 s ILE 18 Cb 0.04 -0.70 0.03 0.00 0.01 0.00 0.00 42.46 41.84 3dc6 s ILE 18 CO 0.95 0.28 1.14 -0.94 0.00 0.00 0.00 174.94 176.37 3dc6 s SER 19 N 1.42 4.64 0.39 3.58 1.04 -1.26 -1.99 113.70 121.53 3dc6 s SER 19 Ca -0.02 2.11 0.09 0.00 0.48 0.00 0.00 55.95 58.61 3dc6 s SER 19 Cb -0.13 -2.56 0.80 0.00 0.10 0.00 0.00 66.02 64.23 3dc6 s SER 19 CO -0.03 -1.95 1.93 1.12 0.98 0.00 0.00 173.24 175.29 3dc6 h HIS 20 N -0.27 0.27 -0.40 5.02 2.07 -1.90 -1.50 115.15 118.44 3dc6 h HIS 20 Ca -0.47 -0.03 -0.10 0.00 -2.85 0.00 0.00 60.37 56.93 3dc6 h HIS 20 Cb 1.26 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 3dc6 h HIS 20 CO 0.52 0.36 -0.15 1.49 -3.07 0.00 0.00 177.93 177.08 3dc6 h GLU 21 N 0.25 0.81 0.13 5.12 4.81 -1.92 -0.76 114.58 123.03 3dc6 h GLU 21 Ca 0.05 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3dc6 h GLU 21 Cb 0.32 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3dc6 h GLU 21 CO 0.02 0.96 -0.12 0.82 -0.73 0.00 0.00 179.01 179.96 3dc6 h ILE 22 N 0.62 0.74 -0.68 2.32 2.04 -1.86 -1.84 117.51 118.85 3dc6 h ILE 22 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 3dc6 h ILE 22 Cb 0.69 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3dc6 h ILE 22 CO 0.05 0.00 0.36 0.24 0.00 0.00 0.00 178.15 178.80 3dc6 h MET 23 N -0.27 0.64 -0.05 2.37 2.86 -1.14 0.34 114.93 119.68 3dc6 h MET 23 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3dc6 h MET 23 Cb 0.25 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3dc6 h MET 23 CO -0.02 0.42 -0.02 0.37 1.06 0.00 0.00 176.91 178.72 3dc6 h GLN 24 N 0.66 0.11 -0.09 1.72 4.15 -1.07 -0.23 115.11 120.36 3dc6 h GLN 24 Ca 0.32 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.71 3dc6 h GLN 24 Cb 0.25 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3dc6 h GLN 24 CO -0.21 0.47 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.09 3dc6 h LEU 25 N -0.26 -0.03 -0.77 -2.39 3.38 -1.12 0.29 115.31 114.40 3dc6 h LEU 25 Ca 0.01 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3dc6 h LEU 25 Cb 0.44 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3dc6 h LEU 25 CO 0.01 -0.00 0.49 -0.74 0.09 0.00 0.00 178.44 178.29 3dc6 h HIS 26 N 0.03 0.93 0.00 1.13 2.76 -0.24 0.03 115.15 119.78 3dc6 h HIS 26 Ca 0.04 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3dc6 h HIS 26 Cb 0.05 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.70 3dc6 h HIS 26 CO -0.12 0.54 -0.15 1.25 -1.30 0.00 0.00 177.93 178.14 3dc6 h HIS 27 N 0.97 0.00 0.00 5.26 -0.00 -0.91 -0.58 115.15 119.89 3dc6 h HIS 27 Ca 0.31 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.49 3dc6 h HIS 27 Cb -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 3dc6 h HIS 27 CO -0.03 0.72 -0.87 1.96 -0.00 0.00 0.00 177.93 179.71 3dc6 h GLN 28 N -1.00 0.00 0.00 5.26 4.20 -0.42 -2.76 115.11 120.39 3dc6 h GLN 28 Ca -0.04 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 3dc6 h GLN 28 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3dc6 h GLN 28 CO -0.02 0.87 -1.19 1.63 -0.67 0.00 0.00 178.83 179.45 3dc6 n LYS 29 N -3.38 0.44 0.17 1.46 4.76 -0.09 -4.33 118.16 117.18 3dc6 n LYS 29 Ca 0.00 0.18 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 3dc6 n LYS 29 Cb 0.87 -1.26 -0.07 0.00 -1.84 0.00 0.00 35.03 32.72 3dc6 n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3dc6 h HIS 30 N -0.80 -0.43 -0.38 2.13 3.86 -1.32 -1.85 115.15 116.35 3dc6 h HIS 30 Ca -0.15 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 58.98 3dc6 h HIS 30 Cb 0.99 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 3dc6 h HIS 30 CO -0.27 -0.09 -0.04 1.25 0.86 0.00 0.00 177.93 179.63 3dc6 h HIS 31 N -0.91 0.78 -0.87 2.45 -0.00 -1.13 -2.59 115.15 112.89 3dc6 h HIS 31 Ca -0.05 -0.15 0.10 0.00 -0.00 0.00 0.00 60.37 60.27 3dc6 h HIS 31 Cb 0.53 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 27.67 3dc6 h HIS 31 CO 0.03 0.82 0.51 0.00 -0.00 0.00 0.00 177.93 179.29 3dc6 h ALA 32 N 0.85 1.25 -0.55 5.26 0.00 -1.58 -1.03 119.26 123.45 3dc6 h ALA 32 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dc6 h ALA 32 Cb 0.54 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3dc6 h ALA 32 CO 0.03 0.15 0.36 1.15 0.00 0.00 0.00 179.25 180.94 3dc6 h THR 33 N 0.86 1.15 -0.46 0.00 2.02 -1.09 0.00 112.91 115.39 3dc6 h THR 33 Ca 0.42 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 3dc6 h THR 33 Cb 0.36 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3dc6 h THR 33 CO -0.24 0.15 0.27 1.88 0.37 0.00 0.00 175.52 177.94 3dc6 h TYR 34 N 0.75 0.61 -0.25 3.16 0.05 -0.88 -1.30 116.97 119.10 3dc6 h TYR 34 Ca 0.20 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 3dc6 h TYR 34 Cb -0.07 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 3dc6 h TYR 34 CO -0.03 0.44 0.13 0.28 -1.05 0.00 0.00 178.16 177.93 3dc6 h VAL 35 N 0.60 1.13 -0.35 -2.88 2.07 -0.91 0.14 116.25 116.05 3dc6 h VAL 35 Ca 0.16 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3dc6 h VAL 35 Cb 0.01 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3dc6 h VAL 35 CO -0.03 0.13 0.17 0.78 0.02 0.00 0.00 177.57 178.64 3dc6 h ASN 36 N 0.29 0.47 -0.52 0.57 2.35 -0.86 -1.32 115.58 116.55 3dc6 h ASN 36 Ca 0.09 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3dc6 h ASN 36 Cb 0.09 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3dc6 h ASN 36 CO -0.01 0.47 0.12 0.78 -1.65 0.00 0.00 177.43 177.13 3dc6 h ASN 37 N 0.43 0.81 -0.42 5.81 -0.26 -1.18 -2.95 115.58 117.82 3dc6 h ASN 37 Ca 0.12 -0.24 0.08 0.00 -0.56 0.00 0.00 56.30 55.70 3dc6 h ASN 37 Cb 0.13 -0.21 -0.07 0.00 -1.06 0.00 0.00 38.32 37.11 3dc6 h ASN 37 CO -0.01 0.84 -0.01 0.25 -1.06 0.00 0.00 177.43 177.43 3dc6 h LEU 38 N 0.74 -0.20 -0.60 1.61 5.85 -0.27 0.14 115.31 122.58 3dc6 h LEU 38 Ca 0.16 0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.03 3dc6 h LEU 38 Cb 0.36 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3dc6 h LEU 38 CO 0.00 -0.06 0.34 0.78 -0.34 0.00 0.00 178.44 179.16 3dc6 h ASN 39 N 0.10 0.52 -0.41 1.25 2.35 -1.16 0.13 115.58 118.35 3dc6 h ASN 39 Ca 0.21 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.87 3dc6 h ASN 39 Cb 0.30 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3dc6 h ASN 39 CO -0.36 0.35 -0.16 1.56 -1.65 0.00 0.00 177.43 177.17 3dc6 h GLN 40 N 0.65 0.83 -0.35 0.81 4.20 -1.22 -2.43 115.11 117.59 3dc6 h GLN 40 Ca 0.26 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 3dc6 h GLN 40 Cb 0.11 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3dc6 h GLN 40 CO -0.15 0.98 -0.18 0.82 -0.67 0.00 0.00 178.83 179.63 3dc6 h ILE 41 N 0.64 1.29 -0.98 2.54 2.04 -0.43 -2.00 117.51 120.61 3dc6 h ILE 41 Ca 0.09 -1.30 0.04 0.00 1.00 0.00 0.00 64.86 64.69 3dc6 h ILE 41 Cb 0.71 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 3dc6 h ILE 41 CO 0.05 0.43 0.64 -0.08 0.00 0.00 0.00 178.15 179.19 3dc6 h GLU 42 N 0.53 1.21 -0.26 2.37 4.81 -0.73 0.19 114.58 122.69 3dc6 h GLU 42 Ca 0.08 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3dc6 h GLU 42 Cb 0.72 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3dc6 h GLU 42 CO 0.05 0.80 0.13 0.93 -0.73 0.00 0.00 179.01 180.19 3dc6 h GLU 43 N 1.24 0.38 -0.49 1.92 5.08 -1.26 0.13 114.58 121.58 3dc6 h GLU 43 Ca 0.39 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 3dc6 h GLU 43 Cb -0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3dc6 h GLU 43 CO -0.12 0.37 0.05 0.87 -1.00 0.00 0.00 179.01 179.17 3dc6 h LYS 44 N 0.29 0.79 -0.33 2.33 1.79 -0.76 -1.14 116.57 119.55 3dc6 h LYS 44 Ca 0.09 -0.19 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 3dc6 h LYS 44 Cb 0.11 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3dc6 h LYS 44 CO -0.01 0.76 -0.08 1.25 -1.08 0.00 0.00 179.45 180.29 3dc6 h LEU 45 N 0.74 0.63 -1.21 2.94 5.85 -0.41 -1.09 115.31 122.76 3dc6 h LEU 45 Ca 0.15 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3dc6 h LEU 45 Cb 0.38 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3dc6 h LEU 45 CO 0.01 0.85 0.31 -0.74 -0.34 0.00 0.00 178.44 178.53 3dc6 h HIS 46 N 0.41 0.84 -0.06 1.25 2.76 -0.44 0.28 115.15 120.19 3dc6 h HIS 46 Ca 0.08 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3dc6 h HIS 46 Cb 0.57 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 3dc6 h HIS 46 CO 0.05 0.61 0.03 1.49 -1.30 0.00 0.00 177.93 178.81 3dc6 h GLU 47 N 0.86 0.09 -0.16 5.26 4.81 -0.99 0.32 114.58 124.77 3dc6 h GLU 47 Ca 0.22 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3dc6 h GLU 47 Cb 0.07 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3dc6 h GLU 47 CO -0.03 0.16 0.07 0.00 -0.73 0.00 0.00 179.01 178.48 3dc6 h ALA 48 N 0.92 0.20 -0.55 2.92 0.00 -0.71 -1.90 119.26 120.15 3dc6 h ALA 48 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dc6 h ALA 48 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3dc6 h ALA 48 CO -0.00 -0.22 0.25 0.28 0.00 0.00 0.00 179.25 179.56 3dc6 h VAL 49 N 0.11 1.21 -0.63 0.00 2.07 -0.90 -0.07 116.25 118.03 3dc6 h VAL 49 Ca 0.05 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3dc6 h VAL 49 Cb 0.15 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3dc6 h VAL 49 CO -0.01 0.24 0.42 0.28 0.02 0.00 0.00 177.57 178.52 3dc6 h SER 50 N 0.74 0.69 1.33 0.57 0.02 -0.79 -1.15 113.55 114.96 3dc6 h SER 50 Ca 0.19 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3dc6 h SER 50 Cb 0.15 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3dc6 h SER 50 CO -0.02 0.49 0.00 0.11 -1.14 0.00 0.00 176.83 176.26 3dc6 h LYS 51 N 0.80 0.00 -0.36 3.45 1.57 -0.83 -3.47 116.57 117.73 3dc6 h LYS 51 Ca 0.24 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 3dc6 h LYS 51 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3dc6 h LYS 51 CO -0.06 0.00 -0.09 0.41 -0.57 0.00 0.00 179.45 179.14 3dc6 n GLY 52 N 0.63 0.53 3.47 3.86 0.00 -0.43 -4.98 105.19 108.26 3dc6 n GLY 52 Ca 0.03 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 3dc6 n GLY 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dc6 s ASN 53 N -2.90 6.41 0.09 1.61 3.04 -0.12 -4.86 114.94 118.22 3dc6 s ASN 53 Ca 0.00 -1.47 -0.16 0.00 0.04 0.00 0.00 52.86 51.27 3dc6 s ASN 53 Cb 0.00 -2.44 -0.09 0.00 -1.54 0.00 0.00 41.25 37.18 3dc6 s ASN 53 CO 0.00 -1.32 1.43 0.58 -3.04 0.00 0.00 177.10 174.75 3dc6 h VAL 54 N 6.05 1.30 -0.33 -5.21 2.07 -1.94 -2.08 116.25 116.12 3dc6 h VAL 54 Ca -0.02 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.21 3dc6 h VAL 54 Cb 1.04 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 3dc6 h VAL 54 CO 1.20 0.43 -0.23 0.50 0.02 0.00 0.00 177.57 179.49 3dc6 h LYS 55 N 0.36 -0.18 -0.52 1.57 3.64 -1.98 -0.67 116.57 118.79 3dc6 h LYS 55 Ca 0.05 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3dc6 h LYS 55 Cb 0.76 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3dc6 h LYS 55 CO 0.06 -0.12 -0.00 0.93 -2.27 0.00 0.00 179.45 178.04 3dc6 h GLU 56 N -0.19 0.88 -0.59 1.90 5.08 -1.92 -0.45 114.58 119.29 3dc6 h GLU 56 Ca 0.17 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3dc6 h GLU 56 Cb 0.45 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3dc6 h GLU 56 CO -0.44 0.88 0.21 0.00 -1.00 0.00 0.00 179.01 178.66 3dc6 h ALA 57 N 1.18 0.78 -0.49 3.43 0.00 -1.02 -2.29 119.26 120.84 3dc6 h ALA 57 Ca 0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3dc6 h ALA 57 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3dc6 h ALA 57 CO 0.02 0.42 0.01 0.82 0.00 0.00 0.00 179.25 180.53 3dc6 h ILE 58 N 0.83 1.26 -0.41 0.00 2.04 -0.89 -3.06 117.51 117.29 3dc6 h ILE 58 Ca 0.19 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 65.05 3dc6 h ILE 58 Cb 0.25 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3dc6 h ILE 58 CO -0.01 0.37 0.27 0.00 0.00 0.00 0.00 178.15 178.78 3dc6 h ALA 59 N 0.93 1.93 -0.00 1.87 0.00 -0.81 -1.93 119.26 121.25 3dc6 h ALA 59 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dc6 h ALA 59 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dc6 h ALA 59 CO 0.02 -0.00 -0.05 1.28 0.00 0.00 0.00 179.25 180.50 3dc6 n LEU 60 N -4.48 0.09 0.03 0.00 4.77 -0.89 -4.35 117.00 112.18 3dc6 n LEU 60 Ca 0.05 0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 56.24 3dc6 n LEU 60 Cb 0.22 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 3dc6 n LEU 60 CO 0.35 0.02 0.87 1.56 -1.33 0.00 0.00 177.39 178.86 3dc6 h GLN 61 N 0.06 0.02 -0.95 3.23 4.20 -1.36 -0.93 115.11 119.38 3dc6 h GLN 61 Ca 0.00 -0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 3dc6 h GLN 61 Cb 0.41 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 3dc6 h GLN 61 CO 0.00 0.03 0.59 -1.35 -0.67 0.00 0.00 178.83 177.43 3dc6 h PRO 62 N 0.00 0.98 -0.41 1.46 0.11 -1.79 -0.18 132.00 132.17 3dc6 h PRO 62 Ca 0.01 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.91 3dc6 h PRO 62 Cb 0.01 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 3dc6 h PRO 62 CO -0.00 0.65 -0.32 0.00 -0.21 0.00 0.00 178.00 178.11 3dc6 h ALA 63 N 1.48 0.59 -0.36 -0.75 0.00 -1.74 -1.08 119.26 117.40 3dc6 h ALA 63 Ca 0.44 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3dc6 h ALA 63 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dc6 h ALA 63 CO -0.22 0.65 0.06 1.25 0.00 0.00 0.00 179.25 180.98 3dc6 h LEU 64 N 0.76 0.57 -0.72 0.00 5.85 -0.90 -1.38 115.31 119.49 3dc6 h LEU 64 Ca 0.07 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 3dc6 h LEU 64 Cb 0.91 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3dc6 h LEU 64 CO 0.08 0.69 0.23 0.50 -0.34 0.00 0.00 178.44 179.60 3dc6 h LYS 65 N 0.43 1.12 0.12 1.25 3.64 -0.91 0.30 116.57 122.53 3dc6 h LYS 65 Ca 0.11 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3dc6 h LYS 65 Cb 0.36 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3dc6 h LYS 65 CO 0.01 0.96 -0.06 0.35 -2.27 0.00 0.00 179.45 178.44 3dc6 h PHE 66 N 1.07 -0.16 0.12 1.91 3.04 -1.12 0.47 116.94 122.27 3dc6 h PHE 66 Ca 0.23 -0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.91 3dc6 h PHE 66 Cb 0.30 0.05 0.03 0.00 2.56 0.00 0.00 35.95 38.89 3dc6 h PHE 66 CO 0.02 0.20 -1.11 -0.91 -2.02 0.00 0.00 178.31 174.49 3dc6 h ASN 67 N -0.53 0.78 -0.34 0.41 4.21 -1.26 0.29 115.58 119.13 3dc6 h ASN 67 Ca -0.02 -0.84 -0.05 0.00 1.21 0.00 0.00 56.30 56.61 3dc6 h ASN 67 Cb 0.42 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.36 3dc6 h ASN 67 CO 0.03 1.54 0.04 1.23 -1.29 0.00 0.00 177.43 178.97 3dc6 h GLY 68 N 0.13 0.63 0.99 2.83 0.00 -0.52 -0.67 103.07 106.45 3dc6 h GLY 68 Ca -0.17 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.73 3dc6 h GLY 68 CO 0.21 0.40 0.27 -1.33 0.00 0.00 0.00 176.54 176.09 3dc6 h GLY 69 N 0.40 0.59 0.50 4.60 0.00 -0.96 -0.46 103.07 107.75 3dc6 h GLY 69 Ca 0.10 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.30 3dc6 h GLY 69 CO 0.01 0.21 0.27 -1.33 0.00 0.00 0.00 176.54 175.69 3dc6 h GLY 70 N 0.56 0.87 0.88 4.60 0.00 -0.68 0.12 103.07 109.42 3dc6 h GLY 70 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3dc6 h GLY 70 CO -0.04 0.04 0.07 0.84 0.00 0.00 0.00 176.54 177.45 3dc6 h HIS 71 N 0.48 0.43 -0.04 5.60 6.17 -0.73 -1.92 115.15 125.15 3dc6 h HIS 71 Ca 0.30 -0.05 -0.00 0.00 0.71 0.00 0.00 60.37 61.33 3dc6 h HIS 71 Cb 0.31 -0.12 -0.00 0.00 2.52 0.00 0.00 27.41 30.11 3dc6 h HIS 71 CO -0.14 0.49 0.03 0.82 0.71 0.00 0.00 177.93 179.84 3dc6 h ILE 72 N 0.26 1.03 -0.09 6.26 2.04 -0.49 -1.68 117.51 124.84 3dc6 h ILE 72 Ca 0.08 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3dc6 h ILE 72 Cb 0.26 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3dc6 h ILE 72 CO -0.00 0.03 0.04 0.78 0.00 0.00 0.00 178.15 179.00 3dc6 h ASN 73 N 0.03 0.12 -0.32 1.72 2.35 -0.78 -1.95 115.58 116.74 3dc6 h ASN 73 Ca 0.02 -0.14 -0.14 0.00 -0.55 0.00 0.00 56.30 55.48 3dc6 h ASN 73 Cb 0.02 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3dc6 h ASN 73 CO -0.00 0.22 -0.34 0.45 -1.65 0.00 0.00 177.43 176.11 3dc6 h HIS 74 N 0.00 1.01 -0.42 1.19 3.86 -1.34 0.01 115.15 119.45 3dc6 h HIS 74 Ca 0.03 -0.28 0.08 0.00 -1.16 0.00 0.00 60.37 59.04 3dc6 h HIS 74 Cb 0.14 -0.22 -0.08 0.00 1.06 0.00 0.00 27.41 28.31 3dc6 h HIS 74 CO -0.03 1.07 -0.05 0.77 0.86 0.00 0.00 177.93 180.55 3dc6 h SER 75 N 0.71 -0.29 -0.29 2.45 0.02 -1.23 -0.96 113.55 113.96 3dc6 h SER 75 Ca 0.07 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3dc6 h SER 75 Cb 0.90 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 3dc6 h SER 75 CO 0.08 -0.10 0.06 0.40 -1.14 0.00 0.00 176.83 176.14 3dc6 h ILE 76 N 0.05 1.22 -0.61 3.27 2.04 -1.15 -3.22 117.51 119.12 3dc6 h ILE 76 Ca 0.21 -0.75 0.10 0.00 1.00 0.00 0.00 64.86 65.42 3dc6 h ILE 76 Cb 0.31 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 3dc6 h ILE 76 CO -0.40 0.25 0.22 0.15 0.00 0.00 0.00 178.15 178.36 3dc6 h PHE 77 N 0.30 0.37 -0.71 1.37 3.57 -0.48 -1.56 116.94 119.81 3dc6 h PHE 77 Ca 0.09 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3dc6 h PHE 77 Cb 0.31 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3dc6 h PHE 77 CO 0.02 0.08 0.46 -1.49 -2.23 0.00 0.00 178.31 175.15 3dc6 h TRP 78 N 0.39 0.89 0.00 0.41 -0.00 -1.20 -1.73 115.95 114.71 3dc6 h TRP 78 Ca 0.31 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 59.16 3dc6 h TRP 78 Cb 0.39 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.24 3dc6 h TRP 78 CO -0.18 0.57 -0.26 1.79 -0.00 0.00 0.00 178.44 180.36 3dc6 h THR 79 N 0.96 0.48 0.00 1.49 1.35 -1.45 -3.13 112.91 112.61 3dc6 h THR 79 Ca 0.26 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3dc6 h THR 79 Cb -0.10 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3dc6 h THR 79 CO -0.05 0.26 0.00 0.59 -0.25 0.00 0.00 175.52 176.06 3dc6 n ASN 80 N -3.21 0.00 -4.46 5.36 5.03 -0.65 -4.73 115.26 112.60 3dc6 n ASN 80 Ca 0.02 0.23 -0.28 0.00 0.87 0.00 0.00 54.58 55.42 3dc6 n ASN 80 Cb 0.58 -0.39 -0.12 0.00 -1.02 0.00 0.00 39.78 38.84 3dc6 n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3dc6 s LEU 81 N -2.77 2.56 -0.23 3.41 1.43 -1.19 -0.39 118.68 121.50 3dc6 s LEU 81 Ca 0.15 -0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 52.28 3dc6 s LEU 81 Cb 0.13 -1.37 0.12 0.00 0.03 0.00 0.00 46.19 45.10 3dc6 s LEU 81 CO 0.33 0.15 1.00 0.00 0.23 0.00 0.00 176.35 178.07 3dc6 s ALA 82 N -1.33 -1.95 0.29 4.21 0.00 0.11 -4.66 121.76 118.43 3dc6 s ALA 82 Ca 0.18 1.76 0.01 0.00 0.00 0.00 0.00 51.96 53.91 3dc6 s ALA 82 Cb -0.09 -1.12 0.45 0.00 0.00 0.00 0.00 23.12 22.35 3dc6 s ALA 82 CO 0.10 -0.27 1.80 0.87 0.00 0.00 0.00 175.76 178.26 3dc6 h LYS 83 N 3.59 0.65 -2.54 0.00 1.57 -1.83 -3.33 116.57 114.67 3dc6 h LYS 83 Ca -0.25 -0.17 -0.61 0.00 -1.87 0.00 0.00 60.65 57.76 3dc6 h LYS 83 Cb 1.17 -0.08 -0.42 0.00 0.08 0.00 0.00 32.23 32.98 3dc6 h LYS 83 CO 0.19 0.69 -0.63 -0.40 -0.57 0.00 0.00 179.45 178.73 3dc6 n ASP 84 N -4.23 3.10 -0.06 0.86 5.68 -1.26 -4.95 116.55 115.70 3dc6 n ASP 84 Ca 0.02 -3.27 -0.03 0.00 -0.50 0.00 0.00 54.79 51.01 3dc6 n ASP 84 Cb 0.29 -0.70 0.22 0.00 -1.14 0.00 0.00 41.12 39.79 3dc6 n ASP 84 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3dc6 h GLY 85 N 4.70 0.72 0.00 6.12 0.00 -1.77 -3.49 103.07 109.35 3dc6 h GLY 85 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3dc6 h GLY 85 CO 0.75 0.43 0.00 0.61 0.00 0.00 0.00 176.54 178.33 3dc6 n GLY 86 N -0.73 0.16 3.05 4.60 0.00 -1.26 -2.63 105.19 108.38 3dc6 n GLY 86 Ca 0.02 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 3dc6 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dc6 s GLU 87 N 0.00 0.50 0.51 1.61 0.41 -1.26 -4.69 118.70 115.78 3dc6 s GLU 87 Ca 0.00 -0.97 -0.22 0.00 -0.41 0.00 0.00 54.97 53.37 3dc6 s GLU 87 Cb 0.00 0.14 -0.07 0.00 -1.78 0.00 0.00 34.13 32.43 3dc6 s GLU 87 CO 0.00 -0.08 1.22 -2.30 -0.49 0.00 0.00 175.26 173.61 3dc6 n PRO 88 N 0.73 1.56 -1.46 0.39 -0.02 -1.26 -4.36 135.00 130.58 3dc6 n PRO 88 Ca -0.18 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 3dc6 n PRO 88 Cb 0.58 -2.39 0.08 0.00 -0.02 0.00 0.00 33.50 31.75 3dc6 n PRO 88 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dc6 s SER 89 N -0.86 4.64 0.20 2.55 1.04 -1.26 -4.81 113.70 115.19 3dc6 s SER 89 Ca 0.69 1.98 -0.11 0.00 0.48 0.00 0.00 55.95 58.99 3dc6 s SER 89 Cb -0.45 -2.54 0.24 0.00 0.10 0.00 0.00 66.02 63.36 3dc6 s SER 89 CO 0.52 -1.95 1.74 0.00 0.98 0.00 0.00 173.24 174.53 3dc6 h ALA 90 N -0.58 0.71 -0.29 5.32 0.00 -2.00 -0.91 119.26 121.52 3dc6 h ALA 90 Ca -0.45 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3dc6 h ALA 90 Cb 1.25 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3dc6 h ALA 90 CO 0.52 -0.21 0.11 1.05 0.00 0.00 0.00 179.25 180.72 3dc6 h GLU 91 N 0.37 0.24 -0.52 0.00 4.11 -2.00 -2.46 114.58 114.32 3dc6 h GLU 91 Ca 0.28 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.67 3dc6 h GLU 91 Cb 0.34 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3dc6 h GLU 91 CO -0.29 0.16 0.20 1.25 0.07 0.00 0.00 179.01 180.39 3dc6 h LEU 92 N 0.25 0.72 -0.60 3.06 5.85 -1.76 -2.80 115.31 120.03 3dc6 h LEU 92 Ca 0.12 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 3dc6 h LEU 92 Cb 0.08 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3dc6 h LEU 92 CO -0.11 0.70 0.02 0.25 -0.34 0.00 0.00 178.44 178.96 3dc6 h LEU 93 N 0.70 1.03 -0.38 2.25 5.85 -1.11 0.20 115.31 123.85 3dc6 h LEU 93 Ca 0.17 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.67 3dc6 h LEU 93 Cb 0.22 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 3dc6 h LEU 93 CO -0.01 1.07 -0.11 0.74 -0.34 0.00 0.00 178.44 179.79 3dc6 h THR 94 N 0.95 0.60 -0.69 1.05 2.02 -1.35 0.22 112.91 115.71 3dc6 h THR 94 Ca 0.17 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 3dc6 h THR 94 Cb 0.53 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 3dc6 h THR 94 CO 0.03 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.05 3dc6 h ALA 95 N 1.35 0.91 -0.21 6.16 0.00 -1.20 -0.80 119.26 125.46 3dc6 h ALA 95 Ca 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dc6 h ALA 95 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3dc6 h ALA 95 CO -0.40 0.66 0.13 0.82 0.00 0.00 0.00 179.25 180.46 3dc6 h ILE 96 N 1.05 1.09 -0.76 0.00 2.04 -0.05 -0.84 117.51 120.05 3dc6 h ILE 96 Ca 0.21 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3dc6 h ILE 96 Cb 0.41 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3dc6 h ILE 96 CO 0.01 0.08 0.36 0.11 0.00 0.00 0.00 178.15 178.71 3dc6 h LYS 97 N 0.26 1.08 -0.55 2.37 1.57 -0.49 0.77 116.57 121.59 3dc6 h LYS 97 Ca 0.08 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3dc6 h LYS 97 Cb 0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3dc6 h LYS 97 CO -0.01 0.83 0.20 1.03 -0.57 0.00 0.00 179.45 180.92 3dc6 h SER 98 N 1.07 0.78 0.27 0.86 0.87 -0.66 0.96 113.55 117.71 3dc6 h SER 98 Ca 0.26 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3dc6 h SER 98 Cb 0.11 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3dc6 h SER 98 CO -0.03 0.76 -1.74 0.47 -0.53 0.00 0.00 176.83 175.76 3dc6 n ASP 99 N -4.48 0.24 0.00 6.23 8.00 -0.36 -4.54 116.55 121.64 3dc6 n ASP 99 Ca 0.03 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3dc6 n ASP 99 Cb 0.18 1.52 0.00 0.00 -0.02 0.00 0.00 41.12 42.80 3dc6 n ASP 99 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3dc6 n PHE 100 N -2.40 0.00 0.00 1.24 3.01 0.25 -5.01 117.46 114.56 3dc6 n PHE 100 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3dc6 n PHE 100 Cb 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 3dc6 n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dc6 n GLY 101 N 1.08 2.43 3.68 1.37 0.00 0.33 -4.59 105.19 109.49 3dc6 n GLY 101 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 3dc6 n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dc6 s SER 102 N 0.06 -0.27 0.22 1.61 1.04 -1.26 -4.66 113.70 110.43 3dc6 s SER 102 Ca 0.00 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.07 3dc6 s SER 102 Cb 0.00 0.51 0.18 0.00 0.10 0.00 0.00 66.02 66.82 3dc6 s SER 102 CO 0.00 -0.91 1.71 0.25 0.98 0.00 0.00 173.24 175.27 3dc6 h LEU 103 N 2.00 0.96 -0.85 2.42 5.85 -1.91 -2.62 115.31 121.16 3dc6 h LEU 103 Ca -0.24 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3dc6 h LEU 103 Cb 1.24 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3dc6 h LEU 103 CO 0.28 0.98 0.55 0.44 -0.34 0.00 0.00 178.44 180.34 3dc6 h ASP 104 N 0.93 0.99 -0.66 1.25 3.45 -1.96 -0.02 116.42 120.40 3dc6 h ASP 104 Ca 0.18 -0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.52 3dc6 h ASP 104 Cb 0.46 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.95 3dc6 h ASP 104 CO 0.02 0.73 0.09 0.78 -1.57 0.00 0.00 179.24 179.29 3dc6 h ASN 105 N 1.15 1.06 0.01 6.45 2.35 -1.82 -1.48 115.58 123.30 3dc6 h ASN 105 Ca 0.31 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3dc6 h ASN 105 Cb -0.11 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 37.98 3dc6 h ASN 105 CO -0.06 1.06 -0.00 0.25 -1.65 0.00 0.00 177.43 177.02 3dc6 h LEU 106 N 1.02 -0.01 -0.54 1.61 6.46 -1.04 -1.26 115.31 121.55 3dc6 h LEU 106 Ca 0.20 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 3dc6 h LEU 106 Cb 0.46 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 3dc6 h LEU 106 CO 0.02 0.07 0.28 1.56 -0.62 0.00 0.00 178.44 179.74 3dc6 h GLN 107 N -0.08 0.76 -0.38 1.25 4.20 -0.94 0.91 115.11 120.83 3dc6 h GLN 107 Ca -0.00 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.65 3dc6 h GLN 107 Cb 0.08 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3dc6 h GLN 107 CO 0.00 0.61 0.15 -0.22 -0.67 0.00 0.00 178.83 178.70 3dc6 h LYS 108 N 0.72 0.31 -0.15 1.46 3.64 -1.22 0.29 116.57 121.63 3dc6 h LYS 108 Ca 0.19 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3dc6 h LYS 108 Cb 0.08 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3dc6 h LYS 108 CO -0.03 0.20 -0.40 1.96 -2.27 0.00 0.00 179.45 178.92 3dc6 h GLN 109 N 0.32 0.53 -0.52 1.90 4.20 -0.84 -1.13 115.11 119.56 3dc6 h GLN 109 Ca 0.17 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 3dc6 h GLN 109 Cb 0.13 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3dc6 h GLN 109 CO -0.16 0.99 0.22 1.25 -0.67 0.00 0.00 178.83 180.47 3dc6 h LEU 110 N 0.16 0.71 -0.22 1.46 5.85 -0.80 -1.68 115.31 120.79 3dc6 h LEU 110 Ca -0.01 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3dc6 h LEU 110 Cb 1.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3dc6 h LEU 110 CO 0.09 0.68 0.06 0.28 -0.34 0.00 0.00 178.44 179.20 3dc6 h SER 111 N 0.70 0.05 -0.13 1.25 0.02 -0.88 -0.34 113.55 114.22 3dc6 h SER 111 Ca 0.18 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3dc6 h SER 111 Cb 0.18 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3dc6 h SER 111 CO -0.02 0.06 0.07 0.00 -1.14 0.00 0.00 176.83 175.80 3dc6 h ALA 112 N 1.14 0.15 -0.84 3.77 0.00 -1.09 -0.38 119.26 122.01 3dc6 h ALA 112 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3dc6 h ALA 112 Cb 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3dc6 h ALA 112 CO -0.11 -0.38 0.38 0.77 0.00 0.00 0.00 179.25 179.92 3dc6 h SER 113 N 0.14 1.11 -0.10 0.00 0.02 -1.16 -1.96 113.55 111.61 3dc6 h SER 113 Ca 0.05 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3dc6 h SER 113 Cb 0.00 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.26 3dc6 h SER 113 CO -0.03 0.95 -0.03 0.74 -1.14 0.00 0.00 176.83 177.31 3dc6 h THR 114 N 1.20 1.31 -0.53 -2.27 2.02 -0.73 -2.71 112.91 111.20 3dc6 h THR 114 Ca 0.29 -1.00 0.05 0.00 0.77 0.00 0.00 66.41 66.52 3dc6 h THR 114 Cb 0.15 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 3dc6 h THR 114 CO -0.03 0.28 0.35 0.58 0.37 0.00 0.00 175.52 177.07 3dc6 h VAL 115 N -0.15 1.00 0.00 3.16 2.07 -1.02 -2.31 116.25 118.99 3dc6 h VAL 115 Ca 0.02 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3dc6 h VAL 115 Cb 0.46 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3dc6 h VAL 115 CO 0.01 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.69 3dc6 n ALA 116 N -2.49 2.31 -1.68 1.67 0.00 -0.74 -4.84 120.51 114.74 3dc6 n ALA 116 Ca 0.07 -0.13 -0.45 0.00 0.00 0.00 0.00 53.44 52.93 3dc6 n ALA 116 Cb 0.22 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 3dc6 n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dc6 n VAL 117 N -1.25 0.26 -3.03 0.00 0.31 -0.87 -4.94 118.33 108.80 3dc6 n VAL 117 Ca 0.13 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 3dc6 n VAL 117 Cb 0.19 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 31.23 3dc6 n VAL 117 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3dc6 s GLN 118 N 2.26 3.88 2.77 5.55 -0.21 -1.26 -4.88 119.66 127.77 3dc6 s GLN 118 Ca 0.83 0.38 0.00 0.00 0.02 0.00 0.00 55.36 56.59 3dc6 s GLN 118 Cb -0.61 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 29.66 3dc6 s GLN 118 CO 0.41 -0.66 0.00 0.41 -2.12 0.00 0.00 175.29 173.32 3dc6 n GLY 119 N 4.38 -0.00 3.84 3.09 0.00 -1.26 -4.88 105.19 110.36 3dc6 n GLY 119 Ca 0.01 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 3dc6 n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dc6 s SER 120 N -4.00 6.87 0.00 1.61 0.01 -1.26 -4.81 113.70 112.13 3dc6 s SER 120 Ca 0.00 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.37 3dc6 s SER 120 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 3dc6 s SER 120 CO 0.00 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.42 3dc6 n GLY 121 N 1.07 -1.21 2.99 3.44 0.00 -1.26 -0.69 105.19 109.52 3dc6 n GLY 121 Ca -0.07 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 3dc6 n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dc6 s TRP 122 N -3.00 0.29 -0.08 1.61 0.52 -0.17 -0.72 118.94 117.39 3dc6 s TRP 122 Ca 0.00 -0.54 0.01 0.00 0.02 0.00 0.00 56.10 55.59 3dc6 s TRP 122 Cb 0.00 -0.21 -0.03 0.00 -1.15 0.00 0.00 33.47 32.09 3dc6 s TRP 122 CO 0.00 -0.19 -0.10 0.20 0.02 0.00 0.00 176.95 176.88 3dc6 s GLY 123 N -1.51 1.62 0.03 0.98 0.00 -0.56 -0.84 107.32 107.04 3dc6 s GLY 123 Ca -0.15 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.67 3dc6 s GLY 123 CO -0.01 -0.59 -0.06 -0.98 0.00 0.00 0.00 173.10 171.45 3dc6 s TRP 124 N -0.53 0.56 -0.28 1.90 0.52 0.10 -0.87 118.94 120.35 3dc6 s TRP 124 Ca 0.08 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 55.65 3dc6 s TRP 124 Cb -0.12 -0.34 -0.04 0.00 -1.15 0.00 0.00 33.47 31.82 3dc6 s TRP 124 CO 0.02 -0.08 0.30 -1.17 0.02 0.00 0.00 176.95 176.03 3dc6 s LEU 125 N -1.24 4.05 0.17 2.99 2.96 0.36 -1.42 118.68 126.55 3dc6 s LEU 125 Ca -0.08 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 3dc6 s LEU 125 Cb -0.08 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 3dc6 s LEU 125 CO 0.00 -0.14 -0.08 -0.83 -1.32 0.00 0.00 176.35 173.98 3dc6 s GLY 126 N 1.69 1.22 -0.19 7.98 0.00 0.11 -1.29 107.32 116.85 3dc6 s GLY 126 Ca 0.12 -1.57 -0.02 0.00 0.00 0.00 0.00 44.72 43.24 3dc6 s GLY 126 CO 0.10 -1.63 -0.10 -0.47 0.00 0.00 0.00 173.10 171.01 3dc6 s TYR 127 N -3.31 2.88 -0.42 1.90 5.04 0.48 -0.37 117.35 123.55 3dc6 s TYR 127 Ca 0.20 -0.97 -0.27 0.00 -2.44 0.00 0.00 57.07 53.60 3dc6 s TYR 127 Cb 0.03 -1.99 0.02 0.00 0.35 0.00 0.00 41.96 40.37 3dc6 s TYR 127 CO 0.03 -0.49 0.98 0.00 -1.34 0.00 0.00 175.55 174.73 3dc6 h PRO 129 N 8.80 0.31 0.01 0.00 0.13 -1.87 0.06 132.00 139.44 3dc6 h PRO 129 Ca -0.23 -0.13 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 3dc6 h PRO 129 Cb 1.07 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3dc6 h PRO 129 CO 1.03 0.63 -0.22 -0.22 -0.23 0.00 0.00 178.00 178.98 3dc6 h LYS 130 N 0.27 0.14 0.00 0.86 1.63 -1.94 -3.27 116.57 114.25 3dc6 h LYS 130 Ca 0.03 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3dc6 h LYS 130 Cb 0.75 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 3dc6 h LYS 130 CO 0.06 0.94 0.00 0.41 -3.45 0.00 0.00 179.45 177.40 3dc6 n GLY 131 N 1.17 -1.58 3.89 5.01 0.00 -1.23 -4.93 105.19 107.50 3dc6 n GLY 131 Ca -0.10 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 3dc6 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dc6 n LYS 132 N -2.01 -5.68 -4.17 1.61 5.02 -0.01 -4.99 118.16 107.94 3dc6 n LYS 132 Ca 0.06 0.61 -0.17 0.00 -2.02 0.00 0.00 58.31 56.79 3dc6 n LYS 132 Cb 0.38 -5.50 -0.12 0.00 -0.02 0.00 0.00 35.03 29.77 3dc6 n LYS 132 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3dc6 s ILE 133 N -3.32 1.03 -0.00 -0.18 2.07 -1.13 -4.98 121.20 114.69 3dc6 s ILE 133 Ca 0.63 -1.40 -0.20 0.00 -1.41 0.00 0.00 60.65 58.27 3dc6 s ILE 133 Cb -0.31 -1.13 -0.05 0.00 0.13 0.00 0.00 42.46 41.09 3dc6 s ILE 133 CO 0.82 -0.34 0.58 -0.76 -1.91 0.00 0.00 174.94 173.34 3dc6 s LEU 134 N -1.96 4.43 0.05 8.50 1.43 -1.26 -0.85 118.68 129.02 3dc6 s LEU 134 Ca -0.00 1.15 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 3dc6 s LEU 134 Cb -0.08 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 3dc6 s LEU 134 CO 0.02 0.13 -0.11 -0.54 0.23 0.00 0.00 176.35 176.08 3dc6 s LYS 135 N -0.29 0.67 -0.18 1.70 1.02 0.50 -4.95 119.74 118.20 3dc6 s LYS 135 Ca 0.30 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.39 3dc6 s LYS 135 Cb -0.18 -0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 36.52 3dc6 s LYS 135 CO 0.17 0.12 0.16 0.08 -0.92 0.00 0.00 175.35 174.95 3dc6 s VAL 136 N -1.22 5.40 0.05 3.17 1.01 -1.26 0.09 120.40 127.65 3dc6 s VAL 136 Ca -0.05 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3dc6 s VAL 136 Cb -0.09 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3dc6 s VAL 136 CO 0.01 0.46 0.05 0.00 0.00 0.00 0.00 175.10 175.62 3dc6 s ALA 137 N 0.17 0.19 0.16 5.51 0.00 -0.51 -4.99 121.76 122.30 3dc6 s ALA 137 Ca 0.10 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.27 3dc6 s ALA 137 Cb -0.11 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3dc6 s ALA 137 CO -0.00 -0.37 -0.20 0.95 0.00 0.00 0.00 175.76 176.14 3dc6 s THR 138 N -3.41 1.93 0.02 0.00 -4.23 -1.26 0.01 115.64 108.71 3dc6 s THR 138 Ca 0.02 -1.90 0.05 0.00 -1.18 0.00 0.00 61.69 58.67 3dc6 s THR 138 Cb 0.04 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 3dc6 s THR 138 CO -0.08 -0.24 -0.15 0.00 -0.54 0.00 0.00 174.62 173.61 3dc6 s ALA 140 N -0.59 3.45 0.00 0.00 0.00 -1.26 -1.00 121.76 122.36 3dc6 s ALA 140 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3dc6 s ALA 140 Cb -0.07 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.29 3dc6 s ALA 140 CO 0.00 0.35 0.00 0.09 0.00 0.00 0.00 175.76 176.21 3dc6 n ASN 141 N 0.83 0.00 -1.21 0.00 3.02 0.13 -0.97 115.26 117.05 3dc6 n ASN 141 Ca -0.03 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.60 3dc6 n ASN 141 Cb 0.51 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.98 3dc6 n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dc6 n GLN 142 N 14.00 3.53 -1.67 3.52 1.13 -1.26 -4.24 117.38 132.39 3dc6 n GLN 142 Ca 0.00 -2.84 -0.51 0.00 -1.94 0.00 0.00 57.00 51.71 3dc6 n GLN 142 Cb 0.00 -1.89 -0.06 0.00 0.11 0.00 0.00 30.24 28.40 3dc6 n GLN 142 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3dc6 n ASP 143 N 0.13 3.03 -4.77 1.08 10.43 -0.14 -3.83 116.55 122.48 3dc6 n ASP 143 Ca 0.22 0.95 -0.38 0.00 2.57 0.00 0.00 54.79 58.16 3dc6 n ASP 143 Cb 0.91 -1.29 -0.06 0.00 1.84 0.00 0.00 41.12 42.52 3dc6 n ASP 143 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3dc6 s PRO 144 N 4.13 4.65 0.10 -0.24 0.04 -1.26 -4.67 135.00 137.75 3dc6 s PRO 144 Ca 0.96 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 63.06 3dc6 s PRO 144 Cb -0.82 -2.92 -0.12 0.00 0.04 0.00 0.00 34.50 30.68 3dc6 s PRO 144 CO 0.56 0.34 1.61 1.25 0.04 0.00 0.00 177.00 180.80 3dc6 h LEU 145 N 3.42 -0.99 -0.17 -3.56 5.85 -1.90 -2.54 115.31 115.41 3dc6 h LEU 145 Ca -0.46 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 3dc6 h LEU 145 Cb 1.19 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 3dc6 h LEU 145 CO 0.66 -0.48 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.09 3dc6 h GLU 146 N -0.70 0.38 -0.52 1.25 4.81 -1.86 -0.49 114.58 117.45 3dc6 h GLU 146 Ca -0.01 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3dc6 h GLU 146 Cb 0.65 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 3dc6 h GLU 146 CO -0.10 0.71 0.25 0.00 -0.73 0.00 0.00 179.01 179.13 3dc6 h ALA 147 N 0.67 1.47 0.00 2.92 0.00 -1.86 0.59 119.26 123.05 3dc6 h ALA 147 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dc6 h ALA 147 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dc6 h ALA 147 CO 0.03 0.42 -1.44 0.25 0.00 0.00 0.00 179.25 178.51 3dc6 n THR 148 N -4.38 0.14 0.00 0.00 -2.24 -0.96 -4.59 114.28 102.26 3dc6 n THR 148 Ca 0.04 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3dc6 n THR 148 Cb 0.12 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3dc6 n THR 148 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dc6 n THR 149 N -2.14 0.00 0.00 4.28 -2.24 -0.21 -5.02 114.28 108.96 3dc6 n THR 149 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3dc6 n THR 149 Cb 0.50 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3dc6 n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dc6 n GLY 150 N 1.03 2.35 3.72 3.38 0.00 0.20 -5.02 105.19 110.84 3dc6 n GLY 150 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3dc6 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dc6 s LEU 151 N 0.00 4.38 -0.19 0.99 1.43 -1.26 -4.62 118.68 119.41 3dc6 s LEU 151 Ca 0.00 2.07 -0.28 0.00 -1.03 0.00 0.00 54.13 54.89 3dc6 s LEU 151 Cb 0.00 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.64 3dc6 s LEU 151 CO 0.00 -0.46 0.97 -0.69 0.23 0.00 0.00 176.35 176.40 3dc6 s VAL 152 N 0.88 4.76 0.17 -1.59 1.01 -0.36 -2.75 120.40 122.52 3dc6 s VAL 152 Ca 0.58 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 64.17 3dc6 s VAL 152 Cb -0.30 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.74 3dc6 s VAL 152 CO 0.30 -0.09 1.29 -2.16 0.00 0.00 0.00 175.10 174.44 3dc6 s PRO 153 N 2.70 4.40 -0.10 2.72 0.04 -1.26 -0.39 135.00 143.11 3dc6 s PRO 153 Ca 0.43 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.44 3dc6 s PRO 153 Cb -0.16 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 3dc6 s PRO 153 CO 0.10 -0.25 -0.11 1.28 0.04 0.00 0.00 177.00 178.06 3dc6 n LEU 154 N 2.95 1.91 -3.72 -3.56 4.77 -0.41 -4.91 117.00 114.04 3dc6 n LEU 154 Ca 0.07 0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 3dc6 n LEU 154 Cb 0.43 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 3dc6 n LEU 154 CO 0.57 0.45 -0.13 0.12 -1.33 0.00 0.00 177.39 177.08 3dc6 s PHE 155 N -2.20 -0.34 0.13 -1.77 5.36 -1.15 -4.44 117.98 113.58 3dc6 s PHE 155 Ca -0.14 0.80 0.09 0.00 -0.96 0.00 0.00 56.93 56.72 3dc6 s PHE 155 Cb 0.05 0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 42.71 3dc6 s PHE 155 CO 0.21 -0.25 -0.22 0.20 -1.46 0.00 0.00 175.22 173.70 3dc6 s GLY 156 N 1.49 1.39 -0.20 13.12 0.00 -1.26 -0.49 107.32 121.37 3dc6 s GLY 156 Ca -0.07 -1.39 -0.00 0.00 0.00 0.00 0.00 44.72 43.25 3dc6 s GLY 156 CO -0.08 -1.41 -0.05 -0.42 0.00 0.00 0.00 173.10 171.14 3dc6 s ILE 157 N -1.44 1.26 -0.26 0.90 1.01 -0.05 -4.93 121.20 117.69 3dc6 s ILE 157 Ca 0.12 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 3dc6 s ILE 157 Cb -0.09 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 3dc6 s ILE 157 CO 0.06 -0.00 1.31 -0.62 0.00 0.00 0.00 174.94 175.69 3dc6 s ASP 158 N 1.54 6.72 -0.20 3.58 3.68 -1.26 -1.50 116.67 129.23 3dc6 s ASP 158 Ca -0.02 1.35 0.15 0.00 2.13 0.00 0.00 52.55 56.16 3dc6 s ASP 158 Cb -0.17 -2.54 0.52 0.00 -1.45 0.00 0.00 42.92 39.28 3dc6 s ASP 158 CO -0.07 -1.02 1.43 1.33 0.13 0.00 0.00 175.17 176.97 3dc6 n VAL 159 N 6.03 2.34 -1.82 1.11 0.24 0.11 -4.78 118.33 121.56 3dc6 n VAL 159 Ca 0.15 -2.05 -0.39 0.00 -2.04 0.00 0.00 64.34 60.01 3dc6 n VAL 159 Cb 0.46 -0.27 0.03 0.00 -1.47 0.00 0.00 33.84 32.59 3dc6 n VAL 159 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3dc6 s TRP 160 N -2.92 2.40 0.57 6.34 0.52 -1.21 -4.49 118.94 120.16 3dc6 s TRP 160 Ca 0.43 1.33 0.30 0.00 0.02 0.00 0.00 56.10 58.18 3dc6 s TRP 160 Cb 0.35 -3.83 1.81 0.00 -1.15 0.00 0.00 33.47 30.65 3dc6 s TRP 160 CO 0.07 -2.83 2.24 0.93 0.02 0.00 0.00 176.95 177.38 3dc6 h GLU 161 N 1.91 0.00 0.00 4.98 5.08 -1.93 -0.78 114.58 123.84 3dc6 h GLU 161 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3dc6 h GLU 161 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3dc6 h GLU 161 CO 0.59 0.02 0.00 1.12 -1.00 0.00 0.00 179.01 179.74 3dc6 h HIS 162 N 0.00 0.00 0.00 4.33 2.07 -1.97 0.66 115.15 120.25 3dc6 h HIS 162 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3dc6 h HIS 162 Cb 0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.02 3dc6 h HIS 162 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 3dc6 h ALA 163 N 2.16 1.00 0.00 6.11 0.00 -1.44 -3.40 119.26 123.69 3dc6 h ALA 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dc6 h ALA 163 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dc6 h ALA 163 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 179.25 181.73 3dc6 n TYR 164 N -2.31 0.00 -0.09 0.00 4.11 -1.05 -5.01 117.16 112.82 3dc6 n TYR 164 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.86 3dc6 n TYR 164 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.72 3dc6 n TYR 164 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 3dc6 h TYR 165 N 0.00 0.39 -0.94 -3.48 3.20 -1.08 0.33 116.97 115.39 3dc6 h TYR 165 Ca 0.00 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.07 3dc6 h TYR 165 Cb 0.00 -0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.06 3dc6 h TYR 165 CO 0.00 0.27 0.61 -0.07 -1.64 0.00 0.00 178.16 177.32 3dc6 h LEU 166 N 0.39 0.54 0.00 2.82 3.38 -1.88 0.23 115.31 120.79 3dc6 h LEU 166 Ca 0.11 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3dc6 h LEU 166 Cb -0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3dc6 h LEU 166 CO -0.02 0.21 -0.99 1.67 0.09 0.00 0.00 178.44 179.40 3dc6 n GLN 167 N -4.59 0.51 0.00 1.13 7.27 -0.93 -4.63 117.38 116.15 3dc6 n GLN 167 Ca 0.20 0.51 0.12 0.00 0.07 0.00 0.00 57.00 57.90 3dc6 n GLN 167 Cb 0.65 -1.69 0.19 0.00 2.41 0.00 0.00 30.24 31.80 3dc6 n GLN 167 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3dc6 n TYR 168 N -4.51 0.00 -0.72 3.69 4.02 0.11 -5.04 117.16 114.72 3dc6 n TYR 168 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 3dc6 n TYR 168 Cb 0.50 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 3dc6 n TYR 168 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3dc6 n LYS 169 N -1.33 0.00 0.02 -0.72 4.01 0.81 -1.84 118.16 119.10 3dc6 n LYS 169 Ca 0.06 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.97 3dc6 n LYS 169 Cb 0.34 0.00 0.45 0.00 -0.51 0.00 0.00 35.03 35.31 3dc6 n LYS 169 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3dc6 n ASN 170 N 2.68 0.14 -3.57 4.39 6.94 -1.26 -4.41 115.26 120.16 3dc6 n ASN 170 Ca 0.00 0.52 -0.41 0.00 -0.02 0.00 0.00 54.58 54.68 3dc6 n ASN 170 Cb 0.00 -0.56 -0.01 0.00 -2.36 0.00 0.00 39.78 36.85 3dc6 n ASN 170 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3dc6 n VAL 171 N -1.64 4.14 -0.29 3.53 0.31 -0.77 -4.74 118.33 118.86 3dc6 n VAL 171 Ca 0.05 -3.26 0.07 0.00 -0.01 0.00 0.00 64.34 61.18 3dc6 n VAL 171 Cb 0.26 -2.50 0.22 0.00 -0.91 0.00 0.00 33.84 30.91 3dc6 n VAL 171 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3dc6 h ARG 172 N 5.43 0.60 -0.34 5.55 2.43 -1.83 -2.61 114.38 123.61 3dc6 h ARG 172 Ca 0.67 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.84 3dc6 h ARG 172 Cb 0.47 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3dc6 h ARG 172 CO 1.76 0.40 0.23 -1.35 -1.51 0.00 0.00 179.97 179.50 3dc6 h PRO 173 N 0.62 0.28 -0.55 0.20 0.11 -1.95 -1.34 132.00 129.37 3dc6 h PRO 173 Ca 0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.46 3dc6 h PRO 173 Cb 0.63 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 3dc6 h PRO 173 CO -0.36 0.19 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.17 3dc6 h ASP 174 N 0.29 0.92 -0.08 -2.05 5.19 -1.88 -1.09 116.42 117.72 3dc6 h ASP 174 Ca 0.14 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 3dc6 h ASP 174 Cb 0.21 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 3dc6 h ASP 174 CO -0.03 0.99 -0.02 0.22 -3.12 0.00 0.00 179.24 177.28 3dc6 h TYR 175 N 0.87 0.18 -0.74 4.55 5.03 -1.42 -1.37 116.97 124.08 3dc6 h TYR 175 Ca 0.16 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 3dc6 h TYR 175 Cb 0.53 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.73 3dc6 h TYR 175 CO 0.03 0.48 0.42 0.28 -1.32 0.00 0.00 178.16 178.05 3dc6 h VAL 176 N -0.17 1.22 -0.13 1.81 2.07 -1.14 -0.46 116.25 119.46 3dc6 h VAL 176 Ca 0.02 -0.52 -0.15 0.00 0.82 0.00 0.00 66.70 66.87 3dc6 h VAL 176 Cb 0.42 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3dc6 h VAL 176 CO 0.01 0.24 -0.55 0.78 0.02 0.00 0.00 177.57 178.06 3dc6 h ASN 177 N 1.01 0.42 1.14 0.57 -0.26 -1.22 -3.23 115.58 114.01 3dc6 h ASN 177 Ca 0.26 -0.22 -0.08 0.00 -0.56 0.00 0.00 56.30 55.70 3dc6 h ASN 177 Cb 0.01 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 3dc6 h ASN 177 CO -0.04 0.89 -0.36 0.00 -1.06 0.00 0.00 177.43 176.85 3dc6 h ALA 178 N 1.12 0.89 0.00 -0.83 0.00 -0.72 -3.20 119.26 116.52 3dc6 h ALA 178 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3dc6 h ALA 178 Cb 1.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3dc6 h ALA 178 CO 0.09 0.45 -0.09 0.97 0.00 0.00 0.00 179.25 180.68 3dc6 h ILE 179 N 0.00 0.46 0.00 0.00 2.10 -1.11 -1.92 117.51 117.05 3dc6 h ILE 179 Ca -0.00 -0.44 -0.01 0.00 1.08 0.00 0.00 64.86 65.49 3dc6 h ILE 179 Cb 1.03 1.30 -0.00 0.00 -1.09 0.00 0.00 36.82 38.05 3dc6 h ILE 179 CO 0.05 0.09 -0.04 -0.50 -1.08 0.00 0.00 178.15 176.66 3dc6 h TRP 180 N 0.00 0.00 0.00 2.19 4.06 -1.71 -1.59 115.95 118.91 3dc6 h TRP 180 Ca -0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 3dc6 h TRP 180 Cb 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 3dc6 h TRP 180 CO 0.00 0.04 -0.19 0.87 -3.56 0.00 0.00 178.44 175.60 3dc6 h LYS 181 N 0.00 0.00 -0.20 0.49 1.57 -1.57 -2.96 116.57 113.90 3dc6 h LYS 181 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dc6 h LYS 181 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3dc6 h LYS 181 CO 0.01 0.19 0.00 0.44 -0.57 0.00 0.00 179.45 179.51 3dc6 n ILE 182 N -3.99 2.08 -2.19 1.86 -5.35 -0.62 -4.85 119.36 106.31 3dc6 n ILE 182 Ca -0.02 -1.88 -0.43 0.00 -0.27 0.00 0.00 62.75 60.15 3dc6 n ILE 182 Cb 0.27 -0.18 -0.02 0.00 -1.74 0.00 0.00 39.64 37.96 3dc6 n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dc6 s ALA 183 N -2.67 3.56 -1.20 -1.28 0.00 -1.07 -0.71 121.76 118.39 3dc6 s ALA 183 Ca 0.38 0.65 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 3dc6 s ALA 183 Cb 0.31 -3.72 0.06 0.00 0.00 0.00 0.00 23.12 19.77 3dc6 s ALA 183 CO 0.08 -1.44 1.63 1.21 0.00 0.00 0.00 175.76 177.24 3dc6 s ASN 184 N 3.01 6.72 0.43 0.00 2.47 0.47 -4.42 114.94 123.63 3dc6 s ASN 184 Ca 0.66 -2.10 0.11 0.00 0.42 0.00 0.00 52.86 51.94 3dc6 s ASN 184 Cb -0.27 -2.57 0.95 0.00 -1.45 0.00 0.00 41.25 37.90 3dc6 s ASN 184 CO 0.24 -1.28 2.03 -0.50 -3.72 0.00 0.00 177.10 173.87 3dc6 h TRP 185 N 8.35 0.27 -0.41 0.43 4.06 -1.82 -1.30 115.95 125.53 3dc6 h TRP 185 Ca 0.36 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.35 3dc6 h TRP 185 Cb 0.92 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.95 3dc6 h TRP 185 CO 1.37 0.25 0.16 -0.22 -3.56 0.00 0.00 178.44 176.45 3dc6 h LYS 186 N 0.27 0.33 -0.37 0.49 3.64 -1.70 0.19 116.57 119.42 3dc6 h LYS 186 Ca 0.07 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3dc6 h LYS 186 Cb 0.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3dc6 h LYS 186 CO -0.00 0.22 0.07 -0.97 -2.27 0.00 0.00 179.45 176.50 3dc6 h ASN 187 N 0.34 0.57 -0.68 4.20 -0.73 -1.56 -1.74 115.58 115.98 3dc6 h ASN 187 Ca 0.18 -0.25 0.02 0.00 1.87 0.00 0.00 56.30 58.12 3dc6 h ASN 187 Cb 0.14 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.54 3dc6 h ASN 187 CO -0.17 0.68 0.43 0.58 -0.37 0.00 0.00 177.43 178.58 3dc6 h VAL 188 N 0.44 1.12 -0.81 2.57 2.07 -1.03 -0.73 116.25 119.90 3dc6 h VAL 188 Ca 0.11 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3dc6 h VAL 188 Cb 0.34 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3dc6 h VAL 188 CO 0.01 0.16 0.41 0.28 0.02 0.00 0.00 177.57 178.44 3dc6 h SER 189 N 0.86 1.04 -0.39 0.57 0.02 -0.52 -0.52 113.55 114.61 3dc6 h SER 189 Ca 0.26 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3dc6 h SER 189 Cb -0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3dc6 h SER 189 CO -0.09 0.86 0.15 -0.33 -1.14 0.00 0.00 176.83 176.29 3dc6 h GLU 190 N 1.14 0.59 -0.88 3.45 5.08 -0.79 -1.36 114.58 121.81 3dc6 h GLU 190 Ca 0.28 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3dc6 h GLU 190 Cb 0.08 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3dc6 h GLU 190 CO -0.04 0.56 0.46 0.00 -1.00 0.00 0.00 179.01 178.99 3dc6 h ARG 191 N 0.49 1.24 -0.42 2.33 3.08 -0.86 -1.77 114.38 118.46 3dc6 h ARG 191 Ca 0.13 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3dc6 h ARG 191 Cb 0.19 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3dc6 h ARG 191 CO -0.01 0.92 0.24 0.35 -1.07 0.00 0.00 179.97 180.40 3dc6 h PHE 192 N 1.24 0.57 -0.41 3.04 3.57 -0.83 -0.53 116.94 123.59 3dc6 h PHE 192 Ca 0.31 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.81 3dc6 h PHE 192 Cb 0.06 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3dc6 h PHE 192 CO 0.01 0.43 0.25 0.00 -2.23 0.00 0.00 178.31 176.77 3dc6 h ALA 193 N 1.09 0.51 -0.61 2.41 0.00 -0.90 -2.41 119.26 119.36 3dc6 h ALA 193 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3dc6 h ALA 193 Cb 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3dc6 h ALA 193 CO -0.03 -0.06 0.13 0.87 0.00 0.00 0.00 179.25 180.17 3dc6 h LYS 194 N 0.52 0.96 0.00 0.00 1.57 -1.20 -2.92 116.57 115.50 3dc6 h LYS 194 Ca 0.15 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3dc6 h LYS 194 Cb -0.03 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3dc6 h LYS 194 CO -0.05 0.86 -0.12 0.00 -0.57 0.00 0.00 179.45 179.57 3dc6 h ALA 195 N 1.23 1.13 -0.02 3.86 0.00 -0.70 -1.92 119.26 122.83 3dc6 h ALA 195 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dc6 h ALA 195 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dc6 h ALA 195 CO 0.00 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.44 3dc6 n GLN 196 N -3.42 1.54 0.00 0.00 6.02 -0.94 -4.86 117.38 115.71 3dc6 n GLN 196 Ca -0.01 -0.79 0.14 0.00 -0.01 0.00 0.00 57.00 56.33 3dc6 n GLN 196 Cb 0.29 -1.48 0.45 0.00 1.02 0.00 0.00 30.24 30.52 3dc6 n GLN 196 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09