#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dc6 s HIS 2 N 0.00 2.45 0.05 5.64 3.76 -1.26 -5.01 115.29 120.92 3dc6 s HIS 2 Ca 0.00 1.23 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 3dc6 s HIS 2 Cb 0.00 -3.96 -0.03 0.00 1.11 0.00 0.00 32.58 29.70 3dc6 s HIS 2 CO 0.00 -3.02 -0.04 -1.54 -0.85 0.00 0.00 174.74 169.29 3dc6 s SER 3 N -0.42 0.55 -0.18 1.40 1.04 -1.26 -4.95 113.70 109.88 3dc6 s SER 3 Ca 0.60 -0.79 -0.29 0.00 0.48 0.00 0.00 55.95 55.95 3dc6 s SER 3 Cb -0.45 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3dc6 s SER 3 CO 0.58 -0.44 1.34 -0.22 0.98 0.00 0.00 173.24 175.49 3dc6 s LEU 4 N -2.32 4.11 0.49 2.42 2.96 -1.26 -5.00 118.68 120.09 3dc6 s LEU 4 Ca -0.02 1.65 -0.21 0.00 -0.22 0.00 0.00 54.13 55.33 3dc6 s LEU 4 Cb -0.00 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 3dc6 s LEU 4 CO -0.05 -0.89 1.10 -2.16 -1.32 0.00 0.00 176.35 173.03 3dc6 s PRO 5 N 3.79 3.67 0.50 0.98 0.04 -1.26 -5.00 135.00 137.72 3dc6 s PRO 5 Ca 0.58 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 62.98 3dc6 s PRO 5 Cb -0.22 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 3dc6 s PRO 5 CO 0.19 -0.58 1.13 -0.51 0.04 0.00 0.00 177.00 177.27 3dc6 s ASP 6 N -1.72 5.98 0.61 6.66 -0.00 -1.26 -5.00 116.67 121.93 3dc6 s ASP 6 Ca 0.67 2.19 -0.16 0.00 -0.00 0.00 0.00 52.55 55.25 3dc6 s ASP 6 Cb -0.22 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.09 3dc6 s ASP 6 CO 0.26 -1.04 1.10 -0.76 -0.00 0.00 0.00 175.17 174.73 3dc6 s LEU 7 N -3.46 3.51 0.00 1.23 1.43 -1.26 -4.94 118.68 115.19 3dc6 s LEU 7 Ca 0.69 2.00 0.24 0.00 -1.03 0.00 0.00 54.13 56.03 3dc6 s LEU 7 Cb -0.25 -4.55 1.45 0.00 0.03 0.00 0.00 46.19 42.87 3dc6 s LEU 7 CO 0.29 -1.41 1.88 -2.65 0.23 0.00 0.00 176.35 174.69 3dc6 n PRO 8 N -2.03 0.91 -4.05 1.29 -0.02 -1.26 -4.87 135.00 124.97 3dc6 n PRO 8 Ca 0.10 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 3dc6 n PRO 8 Cb 0.52 -1.42 -0.06 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.55 0.69 6.00 1.13 -1.26 -5.13 117.35 117.34 3dc6 s TYR 9 Ca 0.37 -0.88 -0.12 0.00 -1.41 0.00 0.00 57.07 55.03 3dc6 s TYR 9 Cb 0.17 0.02 0.01 0.00 -1.10 0.00 0.00 41.96 41.05 3dc6 s TYR 9 CO 0.28 -0.91 1.07 -0.51 -2.51 0.00 0.00 175.55 172.97 3dc6 s ASP 10 N -3.05 5.19 0.49 -0.18 1.01 -1.26 -4.96 116.67 113.91 3dc6 s ASP 10 Ca 0.26 1.74 0.18 0.00 0.71 0.00 0.00 52.55 55.45 3dc6 s ASP 10 Cb 0.01 -2.51 1.21 0.00 1.01 0.00 0.00 42.92 42.63 3dc6 s ASP 10 CO 0.10 -1.57 2.07 1.88 0.21 0.00 0.00 175.17 177.85 3dc6 h TYR 11 N -0.55 0.00 -0.21 4.23 0.05 -1.97 -1.93 116.97 116.59 3dc6 h TYR 11 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3dc6 h TYR 11 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 3dc6 h TYR 11 CO 0.60 0.11 0.00 0.00 -1.05 0.00 0.00 178.16 177.82 3dc6 n ALA 12 N -2.47 2.49 0.46 3.88 0.00 -1.26 -4.01 120.51 119.60 3dc6 n ALA 12 Ca -0.03 -0.67 0.12 0.00 0.00 0.00 0.00 53.44 52.87 3dc6 n ALA 12 Cb 0.19 -1.01 0.46 0.00 0.00 0.00 0.00 19.45 19.09 3dc6 n ALA 12 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dc6 n ASP 13 N 0.73 0.61 -1.04 0.00 8.00 -0.73 -2.41 116.55 121.72 3dc6 n ASP 13 Ca 0.17 0.63 0.11 0.00 0.71 0.00 0.00 54.79 56.41 3dc6 n ASP 13 Cb 0.43 -0.77 0.16 0.00 -0.02 0.00 0.00 41.12 40.93 3dc6 n ASP 13 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3dc6 n LEU 14 N -2.15 3.22 -4.76 0.64 4.77 -1.26 -4.41 117.00 113.05 3dc6 n LEU 14 Ca 0.03 -1.32 -0.37 0.00 -0.03 0.00 0.00 56.01 54.32 3dc6 n LEU 14 Cb 0.26 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3dc6 n LEU 14 CO 0.21 0.64 0.88 -1.61 -1.33 0.00 0.00 177.39 176.19 3dc6 s GLU 15 N -1.62 3.41 -0.10 3.23 2.02 -1.01 -1.15 118.70 123.48 3dc6 s GLU 15 Ca 0.33 1.94 0.11 0.00 0.02 0.00 0.00 54.97 57.37 3dc6 s GLU 15 Cb 0.21 -2.27 0.50 0.00 0.10 0.00 0.00 34.13 32.67 3dc6 s GLU 15 CO 0.30 -0.88 1.33 -0.35 0.02 0.00 0.00 175.26 175.67 3dc6 n PRO 16 N -0.87 3.05 0.05 0.39 -0.04 -1.26 -4.89 135.00 131.44 3dc6 n PRO 16 Ca 0.09 -1.95 -0.20 0.00 -0.04 0.00 0.00 63.50 61.41 3dc6 n PRO 16 Cb 0.47 -1.78 -0.13 0.00 -0.04 0.00 0.00 33.50 32.02 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 2.69 1.42 -3.43 0.52 2.07 -1.52 -3.44 116.25 114.56 3dc6 h VAL 17 Ca 0.00 -2.40 -0.40 0.00 0.82 0.00 0.00 66.70 64.72 3dc6 h VAL 17 Cb 1.18 2.91 -0.35 0.00 -1.52 0.00 0.00 31.29 33.52 3dc6 h VAL 17 CO 0.21 0.70 -0.77 -0.63 0.02 0.00 0.00 177.57 177.10 3dc6 s ILE 18 N -2.78 0.42 0.68 4.57 1.01 -0.92 -4.96 121.20 119.22 3dc6 s ILE 18 Ca -0.12 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 3dc6 s ILE 18 Cb 0.03 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 42.02 3dc6 s ILE 18 CO 0.86 0.21 1.08 -0.94 0.00 0.00 0.00 174.94 176.16 3dc6 s SER 19 N 1.14 5.14 0.20 3.58 1.04 -1.26 -2.86 113.70 120.67 3dc6 s SER 19 Ca -0.08 1.84 -0.13 0.00 0.48 0.00 0.00 55.95 58.06 3dc6 s SER 19 Cb -0.14 -2.53 0.23 0.00 0.10 0.00 0.00 66.02 63.69 3dc6 s SER 19 CO -0.01 -1.61 1.65 -0.74 0.98 0.00 0.00 173.24 173.51 3dc6 h HIS 20 N -0.34 -0.16 -0.57 5.02 2.76 -1.88 -1.00 115.15 118.97 3dc6 h HIS 20 Ca -0.45 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 57.75 3dc6 h HIS 20 Cb 1.23 0.16 -0.03 0.00 1.55 0.00 0.00 27.41 30.32 3dc6 h HIS 20 CO 0.58 -0.20 0.32 1.49 -1.30 0.00 0.00 177.93 178.82 3dc6 h GLU 21 N 0.06 0.79 0.09 5.26 4.81 -1.93 0.45 114.58 124.11 3dc6 h GLU 21 Ca 0.29 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3dc6 h GLU 21 Cb 0.45 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3dc6 h GLU 21 CO -0.54 0.59 -0.05 0.82 -0.73 0.00 0.00 179.01 179.10 3dc6 h ILE 22 N 0.77 0.88 -0.73 2.32 2.04 -1.85 -1.03 117.51 119.92 3dc6 h ILE 22 Ca 0.20 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.10 3dc6 h ILE 22 Cb 0.03 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 3dc6 h ILE 22 CO -0.03 0.00 0.45 0.24 0.00 0.00 0.00 178.15 178.80 3dc6 h MET 23 N -0.14 0.84 -0.07 2.37 2.86 -0.75 0.26 114.93 120.30 3dc6 h MET 23 Ca -0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3dc6 h MET 23 Cb 0.12 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 3dc6 h MET 23 CO 0.01 0.55 0.01 0.37 1.06 0.00 0.00 176.91 178.91 3dc6 h GLN 24 N 0.86 0.12 -0.34 1.72 4.15 -0.73 -1.09 115.11 119.81 3dc6 h GLN 24 Ca 0.30 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 3dc6 h GLN 24 Cb 0.06 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3dc6 h GLN 24 CO -0.13 0.34 0.10 -0.07 -1.93 0.00 0.00 178.83 177.14 3dc6 h LEU 25 N -0.12 0.50 -1.09 -2.39 3.38 -0.98 0.11 115.31 114.71 3dc6 h LEU 25 Ca 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3dc6 h LEU 25 Cb 0.28 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3dc6 h LEU 25 CO 0.00 0.58 0.46 -0.74 0.09 0.00 0.00 178.44 178.83 3dc6 h HIS 26 N 0.39 1.06 0.00 1.13 2.76 -0.38 -0.05 115.15 120.07 3dc6 h HIS 26 Ca 0.11 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3dc6 h HIS 26 Cb 0.26 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 3dc6 h HIS 26 CO 0.01 0.72 -0.13 1.25 -1.30 0.00 0.00 177.93 178.48 3dc6 h HIS 27 N 1.11 0.00 0.00 5.26 -0.00 -1.14 -0.78 115.15 119.60 3dc6 h HIS 27 Ca 0.29 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.55 3dc6 h HIS 27 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 3dc6 h HIS 27 CO 0.01 0.09 -0.52 1.96 -0.00 0.00 0.00 177.93 179.46 3dc6 h GLN 28 N -1.00 0.00 0.00 5.26 4.20 -0.82 -2.64 115.11 120.11 3dc6 h GLN 28 Ca -0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 3dc6 h GLN 28 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3dc6 h GLN 28 CO -0.00 0.52 -1.27 1.63 -0.67 0.00 0.00 178.83 179.04 3dc6 n LYS 29 N -3.50 0.41 0.13 1.46 4.76 -0.13 -4.39 118.16 116.90 3dc6 n LYS 29 Ca 0.00 0.17 -0.11 0.00 -2.87 0.00 0.00 58.31 55.50 3dc6 n LYS 29 Cb 0.62 -1.20 -0.07 0.00 -1.84 0.00 0.00 35.03 32.55 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 -0.73 -0.37 -0.46 2.13 3.86 -1.30 -1.22 115.15 117.06 3dc6 h HIS 30 Ca -0.20 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.98 3dc6 h HIS 30 Cb 1.01 0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.58 3dc6 h HIS 30 CO -0.22 -0.03 0.20 1.25 0.86 0.00 0.00 177.93 179.99 3dc6 h HIS 31 N -0.94 0.68 -0.88 2.45 -0.00 -1.16 -2.11 115.15 113.19 3dc6 h HIS 31 Ca -0.04 -0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.40 3dc6 h HIS 31 Cb 0.50 -0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 27.63 3dc6 h HIS 31 CO 0.04 0.56 0.51 0.00 -0.00 0.00 0.00 177.93 179.04 3dc6 h ALA 32 N 1.05 1.28 -0.34 5.26 0.00 -1.53 -0.89 119.26 124.09 3dc6 h ALA 32 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3dc6 h ALA 32 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dc6 h ALA 32 CO -0.02 0.10 0.14 1.15 0.00 0.00 0.00 179.25 180.62 3dc6 h THR 33 N 0.82 1.18 -0.48 0.00 2.02 -0.76 -0.17 112.91 115.53 3dc6 h THR 33 Ca 0.44 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 67.11 3dc6 h THR 33 Cb 0.45 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 3dc6 h THR 33 CO -0.27 0.20 0.22 1.88 0.37 0.00 0.00 175.52 177.91 3dc6 h TYR 34 N 0.40 0.39 -0.23 3.16 0.05 -0.68 -0.42 116.97 119.64 3dc6 h TYR 34 Ca 0.11 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 3dc6 h TYR 34 Cb 0.18 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3dc6 h TYR 34 CO -0.01 0.18 0.13 0.28 -1.05 0.00 0.00 178.16 177.70 3dc6 h VAL 35 N 0.43 1.10 -0.33 -2.88 2.07 -0.88 0.33 116.25 116.09 3dc6 h VAL 35 Ca 0.21 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3dc6 h VAL 35 Cb 0.16 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3dc6 h VAL 35 CO -0.17 0.09 0.17 0.78 0.02 0.00 0.00 177.57 178.46 3dc6 h ASN 36 N 0.28 0.42 -0.45 0.57 2.35 -0.83 -1.11 115.58 116.80 3dc6 h ASN 36 Ca 0.08 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 3dc6 h ASN 36 Cb 0.03 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3dc6 h ASN 36 CO -0.01 0.40 -0.05 0.78 -1.65 0.00 0.00 177.43 176.90 3dc6 h ASN 37 N 0.40 0.83 -0.61 5.81 -0.26 -0.94 -2.72 115.58 118.09 3dc6 h ASN 37 Ca 0.11 -0.33 0.11 0.00 -0.56 0.00 0.00 56.30 55.63 3dc6 h ASN 37 Cb 0.08 -0.22 -0.08 0.00 -1.06 0.00 0.00 38.32 37.04 3dc6 h ASN 37 CO -0.02 0.96 0.16 0.25 -1.06 0.00 0.00 177.43 177.73 3dc6 h LEU 38 N 0.67 0.07 -0.69 1.61 5.85 -0.05 0.15 115.31 122.92 3dc6 h LEU 38 Ca 0.12 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3dc6 h LEU 38 Cb 0.57 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3dc6 h LEU 38 CO 0.03 0.04 0.41 0.78 -0.34 0.00 0.00 178.44 179.36 3dc6 h ASN 39 N 0.30 0.83 -0.29 1.25 2.35 -0.96 0.20 115.58 119.27 3dc6 h ASN 39 Ca 0.32 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3dc6 h ASN 39 Cb 0.47 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3dc6 h ASN 39 CO -0.38 0.66 0.15 1.56 -1.65 0.00 0.00 177.43 177.76 3dc6 h GLN 40 N 0.94 0.41 -0.16 0.81 4.20 -1.11 -1.94 115.11 118.25 3dc6 h GLN 40 Ca 0.25 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 3dc6 h GLN 40 Cb -0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3dc6 h GLN 40 CO -0.05 0.38 -0.03 0.82 -0.67 0.00 0.00 178.83 179.28 3dc6 h ILE 41 N 0.34 1.28 -0.92 2.54 2.04 -0.76 -2.33 117.51 119.71 3dc6 h ILE 41 Ca 0.10 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.03 3dc6 h ILE 41 Cb 0.09 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3dc6 h ILE 41 CO -0.01 0.29 0.59 -0.08 0.00 0.00 0.00 178.15 178.93 3dc6 h GLU 42 N 0.02 1.07 -0.57 2.37 4.81 -0.58 0.13 114.58 121.84 3dc6 h GLU 42 Ca 0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3dc6 h GLU 42 Cb 0.46 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3dc6 h GLU 42 CO 0.02 0.71 0.36 0.93 -0.73 0.00 0.00 179.01 180.29 3dc6 h GLU 43 N 1.10 0.76 -0.55 1.92 5.08 -1.25 0.40 114.58 122.03 3dc6 h GLU 43 Ca 0.38 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.60 3dc6 h GLU 43 Cb 0.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3dc6 h GLU 43 CO -0.15 0.52 -0.00 0.87 -1.00 0.00 0.00 179.01 179.25 3dc6 h LYS 44 N 0.77 0.94 -0.40 2.33 1.57 -0.71 -2.55 116.57 118.52 3dc6 h LYS 44 Ca 0.21 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 3dc6 h LYS 44 Cb -0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3dc6 h LYS 44 CO -0.04 0.93 -0.19 1.25 -0.57 0.00 0.00 179.45 180.83 3dc6 h LEU 45 N 0.87 0.86 -0.38 2.94 5.85 -0.52 -0.69 115.31 124.24 3dc6 h LEU 45 Ca 0.16 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3dc6 h LEU 45 Cb 0.51 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3dc6 h LEU 45 CO 0.03 1.07 0.11 -0.74 -0.34 0.00 0.00 178.44 178.57 3dc6 h HIS 46 N 0.65 0.18 -0.23 1.25 2.76 -0.79 0.87 115.15 119.85 3dc6 h HIS 46 Ca 0.09 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3dc6 h HIS 46 Cb 0.75 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3dc6 h HIS 46 CO 0.06 0.06 0.12 1.49 -1.30 0.00 0.00 177.93 178.35 3dc6 h GLU 47 N 0.25 0.32 0.02 5.26 4.81 -1.28 -0.21 114.58 123.74 3dc6 h GLU 47 Ca 0.18 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3dc6 h GLU 47 Cb 0.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3dc6 h GLU 47 CO -0.21 0.30 -0.01 0.00 -0.73 0.00 0.00 179.01 178.37 3dc6 h ALA 48 N 1.00 -0.03 -0.51 2.92 0.00 -0.73 -2.24 119.26 119.67 3dc6 h ALA 48 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3dc6 h ALA 48 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3dc6 h ALA 48 CO -0.01 -0.50 -0.03 0.28 0.00 0.00 0.00 179.25 178.99 3dc6 h VAL 49 N -0.07 1.25 -0.98 0.00 2.07 -0.78 0.28 116.25 118.03 3dc6 h VAL 49 Ca -0.00 -1.10 0.10 0.00 0.82 0.00 0.00 66.70 66.52 3dc6 h VAL 49 Cb 0.06 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 3dc6 h VAL 49 CO 0.01 0.39 0.61 -1.28 0.02 0.00 0.00 177.57 177.32 3dc6 h SER 50 N 0.81 0.92 -0.29 0.57 0.87 -0.80 -1.76 113.55 113.87 3dc6 h SER 50 Ca 0.15 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3dc6 h SER 50 Cb 0.53 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3dc6 h SER 50 CO 0.03 0.52 0.00 0.29 -0.53 0.00 0.00 176.83 177.14 3dc6 n LYS 51 N -4.61 2.13 -2.27 2.24 5.02 -0.86 -4.93 118.16 114.88 3dc6 n LYS 51 Ca 0.17 -1.71 -0.16 0.00 -2.02 0.00 0.00 58.31 54.59 3dc6 n LYS 51 Cb 0.30 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.85 3dc6 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dc6 n GLY 52 N 1.32 -0.22 3.52 0.72 0.00 -0.66 -4.93 105.19 104.94 3dc6 n GLY 52 Ca 0.18 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3dc6 n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dc6 s ASN 53 N -2.29 6.80 0.20 1.61 0.01 0.03 -4.83 114.94 116.48 3dc6 s ASN 53 Ca 0.00 -2.33 -0.08 0.00 -0.71 0.00 0.00 52.86 49.74 3dc6 s ASN 53 Cb 0.00 -2.50 0.13 0.00 0.41 0.00 0.00 41.25 39.30 3dc6 s ASN 53 CO 0.00 -1.10 1.75 0.58 -1.51 0.00 0.00 177.10 176.82 3dc6 h VAL 54 N 5.62 1.26 -0.08 1.60 2.07 -1.92 -0.98 116.25 123.82 3dc6 h VAL 54 Ca 0.31 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3dc6 h VAL 54 Cb 0.93 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3dc6 h VAL 54 CO 1.33 0.35 -0.24 0.50 0.02 0.00 0.00 177.57 179.53 3dc6 h LYS 55 N 1.10 -0.32 -0.42 1.57 3.64 -1.98 -0.07 116.57 120.09 3dc6 h LYS 55 Ca 0.24 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 3dc6 h LYS 55 Cb 0.27 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3dc6 h LYS 55 CO -0.01 -0.21 -0.12 0.93 -2.27 0.00 0.00 179.45 177.76 3dc6 h GLU 56 N -0.33 0.76 -0.58 1.90 3.07 -1.90 -0.46 114.58 117.04 3dc6 h GLU 56 Ca 0.09 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3dc6 h GLU 56 Cb 0.45 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 3dc6 h GLU 56 CO -0.27 0.85 0.35 0.00 -1.40 0.00 0.00 179.01 178.54 3dc6 h ALA 57 N 1.17 0.74 -0.47 3.43 0.00 -0.91 -2.05 119.26 121.18 3dc6 h ALA 57 Ca 0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3dc6 h ALA 57 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3dc6 h ALA 57 CO 0.04 0.23 -0.17 0.82 0.00 0.00 0.00 179.25 180.17 3dc6 h ILE 58 N 0.79 1.27 0.00 0.00 2.04 -0.72 -3.05 117.51 117.85 3dc6 h ILE 58 Ca 0.21 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 3dc6 h ILE 58 Cb -0.01 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3dc6 h ILE 58 CO -0.04 0.45 -0.08 0.00 0.00 0.00 0.00 178.15 178.49 3dc6 h ALA 59 N 0.86 1.82 -0.00 1.87 0.00 -0.77 -1.69 119.26 121.36 3dc6 h ALA 59 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dc6 h ALA 59 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dc6 h ALA 59 CO 0.06 0.10 -0.04 1.28 0.00 0.00 0.00 179.25 180.64 3dc6 n LEU 60 N -4.38 0.06 -0.02 0.00 4.77 -0.80 -4.38 117.00 112.25 3dc6 n LEU 60 Ca -0.03 0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 3dc6 n LEU 60 Cb 0.16 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 3dc6 n LEU 60 CO 0.34 0.01 0.91 1.56 -1.33 0.00 0.00 177.39 178.89 3dc6 h GLN 61 N 0.03 0.19 -0.71 3.23 4.20 -1.32 -0.51 115.11 120.22 3dc6 h GLN 61 Ca 0.00 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.76 3dc6 h GLN 61 Cb 0.45 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 3dc6 h GLN 61 CO 0.00 0.17 0.40 -1.35 -0.67 0.00 0.00 178.83 177.38 3dc6 h PRO 62 N 0.17 0.70 -0.59 1.46 0.11 -1.79 -0.38 132.00 131.67 3dc6 h PRO 62 Ca 0.05 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 3dc6 h PRO 62 Cb 0.02 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 3dc6 h PRO 62 CO -0.01 0.46 0.01 0.00 -0.21 0.00 0.00 178.00 178.25 3dc6 h ALA 63 N 1.38 0.80 -0.30 -0.75 0.00 -1.77 -1.00 119.26 117.62 3dc6 h ALA 63 Ca 0.33 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3dc6 h ALA 63 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dc6 h ALA 63 CO -0.20 0.63 -0.02 1.25 0.00 0.00 0.00 179.25 180.91 3dc6 h LEU 64 N 0.94 0.53 -0.79 0.00 5.85 -0.78 -1.04 115.31 120.03 3dc6 h LEU 64 Ca 0.17 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 3dc6 h LEU 64 Cb 0.55 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3dc6 h LEU 64 CO 0.03 0.73 0.35 0.50 -0.34 0.00 0.00 178.44 179.71 3dc6 h LYS 65 N 0.32 1.15 0.02 1.25 3.64 -0.93 0.34 116.57 122.37 3dc6 h LYS 65 Ca 0.08 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3dc6 h LYS 65 Cb 0.47 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3dc6 h LYS 65 CO 0.02 0.91 -0.01 0.35 -2.27 0.00 0.00 179.45 178.45 3dc6 h PHE 66 N 1.13 -0.03 0.17 1.91 3.04 -1.12 0.91 116.94 122.95 3dc6 h PHE 66 Ca 0.27 -0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.97 3dc6 h PHE 66 Cb 0.16 0.01 0.03 0.00 2.56 0.00 0.00 35.95 38.71 3dc6 h PHE 66 CO 0.01 0.45 -1.08 -0.91 -2.02 0.00 0.00 178.31 174.76 3dc6 h ASN 67 N -0.53 0.65 -0.47 0.41 2.35 -1.18 -0.18 115.58 116.64 3dc6 h ASN 67 Ca -0.00 -0.92 -0.02 0.00 -0.55 0.00 0.00 56.30 54.81 3dc6 h ASN 67 Cb 0.49 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3dc6 h ASN 67 CO 0.01 1.52 0.22 1.23 -1.65 0.00 0.00 177.43 178.76 3dc6 h GLY 68 N -0.10 0.72 0.99 2.83 0.00 -0.45 -1.21 103.07 105.85 3dc6 h GLY 68 Ca -0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 3dc6 h GLY 68 CO 0.20 0.34 0.31 -1.33 0.00 0.00 0.00 176.54 176.07 3dc6 h GLY 69 N 0.61 0.81 0.67 4.60 0.00 -0.87 -0.94 103.07 107.96 3dc6 h GLY 69 Ca 0.16 -0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.19 3dc6 h GLY 69 CO -0.02 0.35 0.30 -1.33 0.00 0.00 0.00 176.54 175.84 3dc6 h GLY 70 N 0.74 0.83 0.99 4.60 0.00 -0.71 0.11 103.07 109.63 3dc6 h GLY 70 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3dc6 h GLY 70 CO -0.03 0.11 -0.03 0.84 0.00 0.00 0.00 176.54 177.43 3dc6 h HIS 71 N 0.56 -0.08 -0.06 5.60 6.17 -0.85 -1.47 115.15 125.01 3dc6 h HIS 71 Ca 0.26 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.36 3dc6 h HIS 71 Cb 0.19 0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.13 3dc6 h HIS 71 CO -0.10 -0.04 -0.04 0.82 0.71 0.00 0.00 177.93 179.28 3dc6 h ILE 72 N -0.10 0.88 -0.05 6.26 2.04 -0.73 -1.44 117.51 124.36 3dc6 h ILE 72 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3dc6 h ILE 72 Cb 0.08 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3dc6 h ILE 72 CO 0.02 0.00 0.02 0.78 0.00 0.00 0.00 178.15 178.97 3dc6 h ASN 73 N -0.04 0.07 -0.04 1.72 -0.26 -0.74 -1.96 115.58 114.33 3dc6 h ASN 73 Ca 0.04 -0.14 -0.14 0.00 -0.56 0.00 0.00 56.30 55.49 3dc6 h ASN 73 Cb 0.10 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3dc6 h ASN 73 CO -0.09 0.19 -0.45 0.45 -1.06 0.00 0.00 177.43 176.48 3dc6 h HIS 74 N -0.06 0.70 -0.62 1.19 3.86 -1.27 -0.34 115.15 118.62 3dc6 h HIS 74 Ca 0.02 -0.22 0.05 0.00 -1.16 0.00 0.00 60.37 59.06 3dc6 h HIS 74 Cb 0.14 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 3dc6 h HIS 74 CO -0.03 0.93 0.34 0.77 0.86 0.00 0.00 177.93 180.80 3dc6 h SER 75 N 0.47 0.51 -0.21 2.45 0.02 -1.09 -1.46 113.55 114.25 3dc6 h SER 75 Ca 0.03 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3dc6 h SER 75 Cb 0.96 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3dc6 h SER 75 CO 0.09 0.34 -0.03 0.40 -1.14 0.00 0.00 176.83 176.49 3dc6 h ILE 76 N 0.65 1.27 -0.55 3.27 2.04 -1.15 -3.28 117.51 119.76 3dc6 h ILE 76 Ca 0.27 -0.97 0.09 0.00 1.00 0.00 0.00 64.86 65.26 3dc6 h ILE 76 Cb 0.15 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 3dc6 h ILE 76 CO -0.17 0.29 0.16 0.15 0.00 0.00 0.00 178.15 178.59 3dc6 h PHE 77 N 0.12 0.27 -0.95 1.37 3.57 -0.41 -0.93 116.94 119.98 3dc6 h PHE 77 Ca 0.06 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3dc6 h PHE 77 Cb 0.45 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 3dc6 h PHE 77 CO 0.04 0.04 0.62 -1.49 -2.23 0.00 0.00 178.31 175.29 3dc6 h TRP 78 N 0.31 1.13 0.00 0.41 -0.00 -1.35 -1.08 115.95 115.37 3dc6 h TRP 78 Ca 0.28 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.20 3dc6 h TRP 78 Cb 0.36 -0.37 0.00 0.00 -0.00 0.00 0.00 29.16 29.15 3dc6 h TRP 78 CO -0.20 0.61 0.00 1.79 -0.00 0.00 0.00 178.44 180.64 3dc6 h THR 79 N 1.13 0.00 0.00 1.49 1.35 -1.28 -3.08 112.91 112.51 3dc6 h THR 79 Ca 0.40 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3dc6 h THR 79 Cb 0.13 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3dc6 h THR 79 CO -0.14 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.72 3dc6 n ASN 80 N -3.03 0.00 -4.44 5.36 5.03 -0.41 -4.69 115.26 113.07 3dc6 n ASN 80 Ca 0.03 -0.06 -0.29 0.00 0.87 0.00 0.00 54.58 55.13 3dc6 n ASN 80 Cb 0.43 -0.30 -0.12 0.00 -1.02 0.00 0.00 39.78 38.77 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 -2.59 2.50 -0.04 3.41 1.43 -1.17 -0.15 118.68 122.08 3dc6 s LEU 81 Ca 0.24 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 3dc6 s LEU 81 Cb 0.17 -1.36 0.08 0.00 0.03 0.00 0.00 46.19 45.12 3dc6 s LEU 81 CO 0.40 0.17 0.73 0.00 0.23 0.00 0.00 176.35 177.88 3dc6 s ALA 82 N -1.17 -1.78 0.13 4.21 0.00 0.25 -4.66 121.76 118.74 3dc6 s ALA 82 Ca 0.17 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 3dc6 s ALA 82 Cb -0.10 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 3dc6 s ALA 82 CO 0.08 -0.42 1.73 -0.22 0.00 0.00 0.00 175.76 176.93 3dc6 h LYS 83 N 2.77 0.09 -3.71 0.00 3.64 -1.85 -3.36 116.57 114.15 3dc6 h LYS 83 Ca -0.26 -0.01 -0.62 0.00 -1.27 0.00 0.00 60.65 58.49 3dc6 h LYS 83 Cb 1.17 -0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.57 3dc6 h LYS 83 CO 0.37 0.06 -0.71 -0.51 -2.27 0.00 0.00 179.45 176.39 3dc6 s ASP 84 N -5.26 4.21 0.00 4.20 1.01 -1.26 -4.88 116.67 114.70 3dc6 s ASP 84 Ca -0.13 -2.33 0.20 0.00 0.71 0.00 0.00 52.55 51.00 3dc6 s ASP 84 Cb 0.10 -1.29 0.55 0.00 1.01 0.00 0.00 42.92 43.29 3dc6 s ASP 84 CO 0.69 -0.33 1.45 0.61 0.21 0.00 0.00 175.17 177.79 3dc6 n GLY 85 N 3.98 1.07 7.00 0.21 0.00 -1.26 -5.00 105.19 111.19 3dc6 n GLY 85 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3dc6 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dc6 n GLY 86 N 1.30 0.71 3.31 -0.02 0.00 -1.26 -0.78 105.19 108.46 3dc6 n GLY 86 Ca 0.17 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 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 1.25 0.54 1.61 2.02 -1.26 -4.60 118.70 118.26 3dc6 s GLU 87 Ca 0.00 -1.57 -0.22 0.00 0.02 0.00 0.00 54.97 53.21 3dc6 s GLU 87 Cb 0.00 -0.87 -0.05 0.00 0.10 0.00 0.00 34.13 33.31 3dc6 s GLU 87 CO 0.00 0.09 1.29 -2.30 0.02 0.00 0.00 175.26 174.37 3dc6 n PRO 88 N -0.33 1.60 -0.66 0.39 -0.02 -1.26 -4.45 135.00 130.27 3dc6 n PRO 88 Ca -0.08 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 3dc6 n PRO 88 Cb 0.61 -2.49 0.18 0.00 -0.02 0.00 0.00 33.50 31.78 3dc6 n PRO 88 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dc6 n SER 89 N -0.83 -0.35 -0.14 2.55 3.41 -1.26 -4.71 113.62 112.29 3dc6 n SER 89 Ca 0.11 0.31 -0.03 0.00 -0.26 0.00 0.00 58.87 58.99 3dc6 n SER 89 Cb 0.44 -1.40 0.04 0.00 -0.26 0.00 0.00 64.21 63.03 3dc6 n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dc6 h ALA 90 N -1.99 0.38 -0.38 7.33 0.00 -1.99 -0.23 119.26 122.38 3dc6 h ALA 90 Ca -0.46 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3dc6 h ALA 90 Cb 1.28 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 3dc6 h ALA 90 CO 0.41 -0.41 0.23 0.93 0.00 0.00 0.00 179.25 180.41 3dc6 h GLU 91 N 0.07 0.45 -0.44 0.00 3.07 -2.00 -1.02 114.58 114.71 3dc6 h GLU 91 Ca 0.22 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 3dc6 h GLU 91 Cb 0.33 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3dc6 h GLU 91 CO -0.40 0.30 -0.05 1.25 -1.40 0.00 0.00 179.01 178.71 3dc6 h LEU 92 N 0.46 0.81 -0.81 1.33 5.85 -1.84 -2.26 115.31 118.84 3dc6 h LEU 92 Ca 0.15 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3dc6 h LEU 92 Cb -0.01 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3dc6 h LEU 92 CO -0.06 0.95 0.37 0.25 -0.34 0.00 0.00 178.44 179.61 3dc6 h LEU 93 N 0.65 1.09 -0.50 2.25 5.85 -0.80 0.11 115.31 123.95 3dc6 h LEU 93 Ca 0.12 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3dc6 h LEU 93 Cb 0.56 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3dc6 h LEU 93 CO 0.03 0.93 0.23 0.74 -0.34 0.00 0.00 178.44 180.04 3dc6 h THR 94 N 1.17 0.92 -0.62 1.05 2.02 -1.03 0.05 112.91 116.47 3dc6 h THR 94 Ca 0.28 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 3dc6 h THR 94 Cb 0.15 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3dc6 h THR 94 CO -0.03 0.08 0.02 0.00 0.37 0.00 0.00 175.52 175.96 3dc6 h ALA 95 N 1.29 0.86 -0.12 6.16 0.00 -0.86 -0.77 119.26 125.81 3dc6 h ALA 95 Ca 0.23 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dc6 h ALA 95 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dc6 h ALA 95 CO -0.18 0.67 0.06 0.82 0.00 0.00 0.00 179.25 180.62 3dc6 h ILE 96 N 0.99 1.12 -0.85 0.00 2.04 -0.46 -0.32 117.51 120.03 3dc6 h ILE 96 Ca 0.18 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3dc6 h ILE 96 Cb 0.54 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3dc6 h ILE 96 CO 0.03 0.11 0.44 0.11 0.00 0.00 0.00 178.15 178.83 3dc6 h LYS 97 N 0.07 1.21 -0.37 2.37 1.57 -0.90 0.45 116.57 120.98 3dc6 h LYS 97 Ca 0.04 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3dc6 h LYS 97 Cb 0.12 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3dc6 h LYS 97 CO -0.01 0.91 0.07 1.03 -0.57 0.00 0.00 179.45 180.89 3dc6 h SER 98 N 1.21 0.57 0.74 0.86 0.87 -0.91 0.47 113.55 117.36 3dc6 h SER 98 Ca 0.30 -0.25 -0.17 0.00 -1.23 0.00 0.00 61.79 60.44 3dc6 h SER 98 Cb 0.08 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3dc6 h SER 98 CO -0.04 0.67 -1.37 0.44 -0.53 0.00 0.00 176.83 175.99 3dc6 h ASP 99 N 0.45 0.00 0.00 6.23 3.32 -0.85 -3.40 116.42 122.16 3dc6 h ASP 99 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3dc6 h ASP 99 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3dc6 h ASP 99 CO 0.00 0.59 0.00 0.49 -1.72 0.00 0.00 179.24 178.61 3dc6 n PHE 100 N -2.92 0.00 0.00 4.55 3.01 0.16 -5.03 117.46 117.23 3dc6 n PHE 100 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3dc6 n PHE 100 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 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 0.19 2.02 3.47 1.37 0.00 0.16 -4.46 105.19 107.94 3dc6 n GLY 101 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 -0.52 0.23 1.61 1.04 -1.26 -4.63 113.70 110.17 3dc6 s SER 102 Ca 0.00 -0.06 -0.07 0.00 0.48 0.00 0.00 55.95 56.30 3dc6 s SER 102 Cb 0.00 0.59 0.20 0.00 0.10 0.00 0.00 66.02 66.90 3dc6 s SER 102 CO 0.00 -0.96 1.84 0.25 0.98 0.00 0.00 173.24 175.35 3dc6 h LEU 103 N 2.00 1.12 -0.51 2.42 5.85 -1.90 -1.93 115.31 122.36 3dc6 h LEU 103 Ca -0.31 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.32 3dc6 h LEU 103 Cb 1.30 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3dc6 h LEU 103 CO 0.36 0.91 0.31 0.44 -0.34 0.00 0.00 178.44 180.12 3dc6 h ASP 104 N 1.24 0.50 -0.55 1.25 3.32 -1.96 -0.59 116.42 119.63 3dc6 h ASP 104 Ca 0.31 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.37 3dc6 h ASP 104 Cb 0.06 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3dc6 h ASP 104 CO -0.05 0.35 0.36 0.78 -1.72 0.00 0.00 179.24 178.96 3dc6 h ASN 105 N 0.61 0.61 -0.07 6.45 2.35 -1.77 -1.06 115.58 122.70 3dc6 h ASN 105 Ca 0.20 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3dc6 h ASN 105 Cb 0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3dc6 h ASN 105 CO -0.09 0.44 -0.04 0.25 -1.65 0.00 0.00 177.43 176.34 3dc6 h LEU 106 N 0.73 -0.14 -0.38 1.61 5.85 -1.02 -1.18 115.31 120.78 3dc6 h LEU 106 Ca 0.20 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3dc6 h LEU 106 Cb -0.07 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3dc6 h LEU 106 CO -0.05 -0.06 0.08 1.56 -0.34 0.00 0.00 178.44 179.63 3dc6 h GLN 107 N -0.04 0.21 -0.73 1.25 4.20 -0.85 0.43 115.11 119.57 3dc6 h GLN 107 Ca 0.04 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3dc6 h GLN 107 Cb 0.11 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3dc6 h GLN 107 CO -0.10 0.14 0.26 0.87 -0.67 0.00 0.00 178.83 179.33 3dc6 h LYS 108 N 0.21 1.11 -0.11 1.46 6.56 -1.02 0.25 116.57 125.04 3dc6 h LYS 108 Ca 0.18 -0.22 -0.06 0.00 -1.06 0.00 0.00 60.65 59.49 3dc6 h LYS 108 Cb 0.20 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 3dc6 h LYS 108 CO -0.23 0.93 -0.18 1.96 -2.06 0.00 0.00 179.45 179.87 3dc6 h GLN 109 N 1.06 0.32 -0.60 3.15 4.20 -0.78 -0.60 115.11 121.86 3dc6 h GLN 109 Ca 0.24 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 3dc6 h GLN 109 Cb 0.26 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3dc6 h GLN 109 CO -0.01 0.78 0.14 1.25 -0.67 0.00 0.00 178.83 180.31 3dc6 h LEU 110 N -0.11 0.92 -0.45 1.46 5.85 -0.91 -1.77 115.31 120.29 3dc6 h LEU 110 Ca 0.01 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3dc6 h LEU 110 Cb 0.75 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3dc6 h LEU 110 CO 0.04 0.92 0.28 0.28 -0.34 0.00 0.00 178.44 179.62 3dc6 h SER 111 N 0.87 0.53 -0.31 1.25 0.02 -0.86 -0.86 113.55 114.20 3dc6 h SER 111 Ca 0.19 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3dc6 h SER 111 Cb 0.37 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3dc6 h SER 111 CO 0.00 0.42 0.15 0.00 -1.14 0.00 0.00 176.83 176.26 3dc6 h ALA 112 N 1.14 0.40 -0.67 3.77 0.00 -1.02 0.46 119.26 123.33 3dc6 h ALA 112 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3dc6 h ALA 112 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3dc6 h ALA 112 CO -0.03 -0.04 0.22 0.77 0.00 0.00 0.00 179.25 180.16 3dc6 h SER 113 N 0.36 0.96 -0.15 0.00 0.02 -1.12 -2.28 113.55 111.34 3dc6 h SER 113 Ca 0.11 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3dc6 h SER 113 Cb 0.12 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3dc6 h SER 113 CO -0.01 0.89 -0.15 0.74 -1.14 0.00 0.00 176.83 177.16 3dc6 h THR 114 N 0.99 1.34 -0.61 -2.27 2.02 -0.91 -2.88 112.91 110.61 3dc6 h THR 114 Ca 0.22 -1.31 0.07 0.00 0.77 0.00 0.00 66.41 66.16 3dc6 h THR 114 Cb 0.27 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 3dc6 h THR 114 CO -0.01 0.39 0.40 0.58 0.37 0.00 0.00 175.52 177.25 3dc6 h VAL 115 N 0.00 0.98 0.00 3.16 2.07 -0.81 -2.28 116.25 119.37 3dc6 h VAL 115 Ca 0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3dc6 h VAL 115 Cb 0.68 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3dc6 h VAL 115 CO 0.04 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.73 3dc6 n ALA 116 N -2.48 2.18 -1.68 1.67 0.00 -0.87 -4.82 120.51 114.50 3dc6 n ALA 116 Ca 0.09 -0.10 -0.46 0.00 0.00 0.00 0.00 53.44 52.96 3dc6 n ALA 116 Cb 0.26 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.35 0.26 -3.07 0.00 0.31 -0.86 -4.94 118.33 108.69 3dc6 n VAL 117 Ca 0.10 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 63.96 3dc6 n VAL 117 Cb 0.22 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.34 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 2.32 3.70 2.39 5.55 -0.21 -1.26 -4.87 119.66 127.28 3dc6 s GLN 118 Ca 0.84 0.13 0.00 0.00 0.02 0.00 0.00 55.36 56.35 3dc6 s GLN 118 Cb -0.65 -3.81 0.00 0.00 1.00 0.00 0.00 33.01 29.55 3dc6 s GLN 118 CO 0.43 -0.77 0.00 0.41 -2.12 0.00 0.00 175.29 173.24 3dc6 n GLY 119 N 4.62 0.11 3.83 3.09 0.00 -1.26 -4.90 105.19 110.69 3dc6 n GLY 119 Ca -0.00 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 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 6.90 0.00 1.61 0.01 -1.26 -4.83 113.70 112.13 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 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.47 3dc6 n GLY 121 N 1.33 -1.07 3.13 3.44 0.00 -1.26 -0.49 105.19 110.26 3dc6 n GLY 121 Ca -0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 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 0.96 -0.07 1.61 0.52 -0.40 -0.66 118.94 117.90 3dc6 s TRP 122 Ca 0.00 -0.55 0.02 0.00 0.02 0.00 0.00 56.10 55.59 3dc6 s TRP 122 Cb 0.00 -0.55 -0.03 0.00 -1.15 0.00 0.00 33.47 31.75 3dc6 s TRP 122 CO 0.00 -0.02 -0.10 0.20 0.02 0.00 0.00 176.95 177.06 3dc6 s GLY 123 N -1.93 1.63 0.01 0.98 0.00 -0.18 -1.45 107.32 106.38 3dc6 s GLY 123 Ca -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.78 3dc6 s GLY 123 CO 0.01 -0.66 -0.03 -0.98 0.00 0.00 0.00 173.10 171.44 3dc6 s TRP 124 N -0.70 0.23 -0.32 1.90 0.52 0.76 -0.37 118.94 120.96 3dc6 s TRP 124 Ca 0.11 -0.21 -0.15 0.00 0.02 0.00 0.00 56.10 55.86 3dc6 s TRP 124 Cb -0.11 -0.15 -0.02 0.00 -1.15 0.00 0.00 33.47 32.04 3dc6 s TRP 124 CO 0.01 -0.06 0.37 -1.17 0.02 0.00 0.00 176.95 176.12 3dc6 s LEU 125 N -0.58 4.30 0.29 2.99 2.96 0.86 -1.28 118.68 128.21 3dc6 s LEU 125 Ca -0.05 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 3dc6 s LEU 125 Cb -0.04 -2.37 -0.06 0.00 0.50 0.00 0.00 46.19 44.22 3dc6 s LEU 125 CO -0.00 -0.29 0.03 -0.83 -1.32 0.00 0.00 176.35 173.93 3dc6 s GLY 126 N 1.71 1.88 -0.15 7.98 0.00 0.69 -0.95 107.32 118.49 3dc6 s GLY 126 Ca 0.13 -1.95 -0.00 0.00 0.00 0.00 0.00 44.72 42.90 3dc6 s GLY 126 CO 0.11 -1.76 -0.13 -0.47 0.00 0.00 0.00 173.10 170.85 3dc6 s TYR 127 N -3.33 2.81 -0.41 1.90 5.04 0.48 -0.50 117.35 123.34 3dc6 s TYR 127 Ca 0.34 -0.85 -0.20 0.00 -2.44 0.00 0.00 57.07 53.92 3dc6 s TYR 127 Cb 0.07 -1.88 0.02 0.00 0.35 0.00 0.00 41.96 40.51 3dc6 s TYR 127 CO 0.13 -0.36 0.62 0.00 -1.34 0.00 0.00 175.55 174.60 3dc6 h PRO 129 N 8.73 0.00 0.12 0.00 0.13 -1.87 0.28 132.00 139.39 3dc6 h PRO 129 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 3dc6 h PRO 129 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3dc6 h PRO 129 CO 0.86 0.18 -0.06 0.87 -0.23 0.00 0.00 178.00 179.62 3dc6 h LYS 130 N 0.00 -0.16 0.00 0.86 6.56 -1.94 -3.32 116.57 118.57 3dc6 h LYS 130 Ca -0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3dc6 h LYS 130 Cb 0.42 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 3dc6 h LYS 130 CO 0.02 0.31 0.00 0.78 -2.06 0.00 0.00 179.45 178.50 3dc6 h GLY 131 N -0.87 0.00 -5.69 3.86 0.00 -1.98 -3.47 103.07 94.93 3dc6 h GLY 131 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.90 3dc6 h GLY 131 CO 0.03 0.00 -0.68 0.28 0.00 0.00 0.00 176.54 176.17 3dc6 n LYS 132 N -2.50 -7.22 -4.20 4.80 5.02 0.98 -5.00 118.16 110.05 3dc6 n LYS 132 Ca 0.05 0.81 -0.12 0.00 -2.02 0.00 0.00 58.31 57.03 3dc6 n LYS 132 Cb 0.44 -5.82 -0.10 0.00 -0.02 0.00 0.00 35.03 29.53 3dc6 n LYS 132 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3dc6 s ILE 133 N -3.29 0.80 0.29 -0.18 -4.36 -1.17 -4.97 121.20 108.31 3dc6 s ILE 133 Ca 0.55 -1.97 -0.21 0.00 -0.26 0.00 0.00 60.65 58.77 3dc6 s ILE 133 Cb -0.25 -1.77 -0.09 0.00 1.25 0.00 0.00 42.46 41.60 3dc6 s ILE 133 CO 0.68 -0.80 0.81 -0.76 0.24 0.00 0.00 174.94 175.11 3dc6 s LEU 134 N -3.09 4.26 0.00 0.37 1.43 -1.26 -0.79 118.68 119.60 3dc6 s LEU 134 Ca 0.14 1.54 -0.07 0.00 -1.03 0.00 0.00 54.13 54.71 3dc6 s LEU 134 Cb 0.05 -3.88 -0.00 0.00 0.03 0.00 0.00 46.19 42.39 3dc6 s LEU 134 CO -0.03 -0.07 0.13 -0.54 0.23 0.00 0.00 176.35 176.07 3dc6 s LYS 135 N -2.28 0.47 -0.14 1.70 1.02 0.34 -4.93 119.74 115.93 3dc6 s LYS 135 Ca 0.49 -0.41 -0.12 0.00 0.02 0.00 0.00 55.97 55.95 3dc6 s LYS 135 Cb -0.15 0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 37.30 3dc6 s LYS 135 CO 0.20 -0.11 0.25 0.08 -0.92 0.00 0.00 175.35 174.85 3dc6 s VAL 136 N -1.39 5.33 0.04 3.17 1.01 -1.26 -0.22 120.40 127.08 3dc6 s VAL 136 Ca -0.15 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 3dc6 s VAL 136 Cb -0.08 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3dc6 s VAL 136 CO 0.01 0.48 0.09 0.00 0.00 0.00 0.00 175.10 175.68 3dc6 s ALA 137 N -0.09 -0.03 0.14 5.51 0.00 -0.41 -4.98 121.76 121.90 3dc6 s ALA 137 Ca 0.16 -0.58 0.09 0.00 0.00 0.00 0.00 51.96 51.62 3dc6 s ALA 137 Cb -0.13 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3dc6 s ALA 137 CO 0.04 -0.32 -0.21 0.95 0.00 0.00 0.00 175.76 176.23 3dc6 s THR 138 N -2.63 1.90 0.02 0.00 -4.23 -1.26 -0.17 115.64 109.25 3dc6 s THR 138 Ca -0.05 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 3dc6 s THR 138 Cb -0.01 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 72.01 3dc6 s THR 138 CO -0.05 -0.17 -0.18 0.00 -0.54 0.00 0.00 174.62 173.69 3dc6 s ALA 140 N -0.62 3.27 0.00 0.00 0.00 -1.26 -1.28 121.76 121.87 3dc6 s ALA 140 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3dc6 s ALA 140 Cb -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3dc6 s ALA 140 CO 0.00 0.22 0.00 0.09 0.00 0.00 0.00 175.76 176.08 3dc6 n ASN 141 N 0.54 0.00 -1.24 0.00 3.02 0.36 -0.86 115.26 117.08 3dc6 n ASN 141 Ca 0.01 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.64 3dc6 n ASN 141 Cb 0.51 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.97 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 3.52 -1.64 3.52 1.13 -1.26 -4.19 117.38 132.45 3dc6 n GLN 142 Ca 0.00 -2.78 -0.52 0.00 -1.94 0.00 0.00 57.00 51.76 3dc6 n GLN 142 Cb 0.00 -1.84 -0.06 0.00 0.11 0.00 0.00 30.24 28.45 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 0.37 2.84 -4.78 1.08 10.43 -0.04 -3.88 116.55 122.57 3dc6 n ASP 143 Ca 0.22 0.88 -0.37 0.00 2.57 0.00 0.00 54.79 58.09 3dc6 n ASP 143 Cb 0.87 -1.28 -0.06 0.00 1.84 0.00 0.00 41.12 42.49 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 4.41 4.55 0.06 -0.24 0.04 -1.26 -4.68 135.00 137.88 3dc6 s PRO 144 Ca 0.98 1.28 -0.27 0.00 0.04 0.00 0.00 61.00 63.04 3dc6 s PRO 144 Cb -0.84 -2.79 -0.17 0.00 0.04 0.00 0.00 34.50 30.73 3dc6 s PRO 144 CO 0.56 0.28 1.57 1.25 0.04 0.00 0.00 177.00 180.70 3dc6 h LEU 145 N 3.17 -0.30 -0.18 -3.56 5.85 -1.90 -2.67 115.31 115.71 3dc6 h LEU 145 Ca -0.47 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.12 3dc6 h LEU 145 Cb 1.19 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3dc6 h LEU 145 CO 0.65 -0.13 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.39 3dc6 h GLU 146 N -0.46 0.42 -0.82 1.25 4.81 -1.89 0.31 114.58 118.21 3dc6 h GLU 146 Ca -0.04 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3dc6 h GLU 146 Cb 0.34 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3dc6 h GLU 146 CO 0.06 0.77 0.50 0.00 -0.73 0.00 0.00 179.01 179.61 3dc6 h ALA 147 N 0.65 1.35 0.00 2.92 0.00 -1.87 0.49 119.26 122.80 3dc6 h ALA 147 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dc6 h ALA 147 Cb 0.67 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dc6 h ALA 147 CO 0.04 0.57 -1.36 0.25 0.00 0.00 0.00 179.25 178.75 3dc6 n THR 148 N -4.38 0.39 0.00 0.00 -2.24 -1.01 -4.58 114.28 102.46 3dc6 n THR 148 Ca 0.09 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3dc6 n THR 148 Cb 0.06 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.51 0.00 0.00 4.28 -2.24 0.08 -5.02 114.28 108.88 3dc6 n THR 149 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3dc6 n THR 149 Cb 0.55 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.26 2.38 3.74 3.38 0.00 0.16 -5.02 105.19 111.09 3dc6 n GLY 150 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.50 -0.19 0.99 1.43 -1.26 -4.62 118.68 119.53 3dc6 s LEU 151 Ca 0.00 2.02 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 3dc6 s LEU 151 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 3dc6 s LEU 151 CO 0.00 -0.16 0.80 -0.69 0.23 0.00 0.00 176.35 176.53 3dc6 s VAL 152 N -0.27 4.89 0.20 -1.59 1.01 0.37 -3.03 120.40 121.98 3dc6 s VAL 152 Ca 0.48 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 3dc6 s VAL 152 Cb -0.28 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 3dc6 s VAL 152 CO 0.34 0.02 1.22 -2.16 0.00 0.00 0.00 175.10 174.51 3dc6 s PRO 153 N 2.28 4.47 -0.08 2.72 0.04 -1.26 -0.39 135.00 142.78 3dc6 s PRO 153 Ca 0.36 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 3dc6 s PRO 153 Cb -0.16 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 3dc6 s PRO 153 CO 0.11 -0.11 -0.09 1.28 0.04 0.00 0.00 177.00 178.23 3dc6 n LEU 154 N 2.38 1.99 -3.71 -3.56 4.77 -0.13 -4.91 117.00 113.84 3dc6 n LEU 154 Ca 0.04 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 3dc6 n LEU 154 Cb 0.44 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 41.12 3dc6 n LEU 154 CO 0.56 0.44 -0.17 0.12 -1.33 0.00 0.00 177.39 177.02 3dc6 s PHE 155 N -2.16 -0.29 0.11 -1.77 5.36 -1.02 -4.41 117.98 113.80 3dc6 s PHE 155 Ca -0.11 0.73 0.09 0.00 -0.96 0.00 0.00 56.93 56.68 3dc6 s PHE 155 Cb 0.04 -0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.62 3dc6 s PHE 155 CO 0.17 -0.25 -0.20 0.20 -1.46 0.00 0.00 175.22 173.68 3dc6 s GLY 156 N 1.67 1.65 -0.23 13.12 0.00 -1.26 -0.10 107.32 122.18 3dc6 s GLY 156 Ca -0.05 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.32 3dc6 s GLY 156 CO -0.07 -1.32 -0.04 -0.42 0.00 0.00 0.00 173.10 171.24 3dc6 s ILE 157 N -1.09 1.39 -0.18 0.90 1.01 0.50 -4.95 121.20 118.78 3dc6 s ILE 157 Ca 0.17 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 3dc6 s ILE 157 Cb -0.10 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3dc6 s ILE 157 CO 0.08 -0.09 1.25 -0.62 0.00 0.00 0.00 174.94 175.56 3dc6 s ASP 158 N 1.46 6.93 -0.22 3.58 3.68 -1.26 -1.01 116.67 129.83 3dc6 s ASP 158 Ca -0.05 1.63 0.12 0.00 2.13 0.00 0.00 52.55 56.39 3dc6 s ASP 158 Cb -0.18 -2.54 0.44 0.00 -1.45 0.00 0.00 42.92 39.18 3dc6 s ASP 158 CO -0.06 -0.78 1.31 1.33 0.13 0.00 0.00 175.17 177.09 3dc6 n VAL 159 N 5.44 2.27 -2.03 1.11 0.24 0.16 -4.76 118.33 120.75 3dc6 n VAL 159 Ca 0.14 -2.76 -0.38 0.00 -2.04 0.00 0.00 64.34 59.30 3dc6 n VAL 159 Cb 0.45 -0.27 0.01 0.00 -1.47 0.00 0.00 33.84 32.56 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 -3.13 2.65 0.53 6.34 0.52 -1.21 -4.39 118.94 120.25 3dc6 s TRP 160 Ca 0.39 1.44 0.19 0.00 0.02 0.00 0.00 56.10 58.14 3dc6 s TRP 160 Cb 0.36 -3.61 1.37 0.00 -1.15 0.00 0.00 33.47 30.45 3dc6 s TRP 160 CO -0.01 -2.16 2.16 0.93 0.02 0.00 0.00 176.95 177.89 3dc6 h GLU 161 N 2.02 0.00 0.00 4.98 5.08 -1.93 -0.80 114.58 123.94 3dc6 h GLU 161 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3dc6 h GLU 161 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3dc6 h GLU 161 CO 0.60 0.01 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 0.31 115.15 119.89 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 0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.00 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 2.00 1.00 0.00 6.11 0.00 -1.44 -3.40 119.26 123.54 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 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 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 -2.72 0.00 -0.34 0.00 4.11 -0.73 -4.98 117.16 112.50 3dc6 n TYR 164 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.90 3dc6 n TYR 164 Cb 0.31 0.00 0.11 0.00 -0.00 0.00 0.00 39.34 39.76 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 1.13 -0.50 -3.48 3.20 -0.62 0.91 116.97 117.62 3dc6 h TYR 165 Ca 0.00 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.97 3dc6 h TYR 165 Cb 0.00 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 37.86 3dc6 h TYR 165 CO 0.00 0.69 0.33 -0.07 -1.64 0.00 0.00 178.16 177.47 3dc6 h LEU 166 N 1.20 0.34 0.01 2.82 3.38 -1.88 0.60 115.31 121.78 3dc6 h LEU 166 Ca 0.35 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.93 3dc6 h LEU 166 Cb -0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3dc6 h LEU 166 CO -0.10 0.22 -2.20 1.67 0.09 0.00 0.00 178.44 178.12 3dc6 n GLN 167 N -4.47 0.60 -0.00 1.13 7.27 -0.97 -4.67 117.38 116.26 3dc6 n GLN 167 Ca 0.07 0.32 0.10 0.00 0.07 0.00 0.00 57.00 57.57 3dc6 n GLN 167 Cb 0.28 -1.57 -0.13 0.00 2.41 0.00 0.00 30.24 31.23 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 -4.13 0.00 -1.02 3.69 4.02 0.28 -5.05 117.16 114.95 3dc6 n TYR 168 Ca -0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 3dc6 n TYR 168 Cb 0.86 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 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 -1.66 0.00 0.04 -0.72 4.01 0.20 -1.30 118.16 118.73 3dc6 n LYS 169 Ca 0.02 0.00 0.09 0.00 -0.51 0.00 0.00 58.31 57.91 3dc6 n LYS 169 Cb 0.38 0.00 0.38 0.00 -0.51 0.00 0.00 35.03 35.28 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 2.61 0.23 -3.60 4.39 6.94 -1.26 -4.38 115.26 120.19 3dc6 n ASN 170 Ca 0.00 0.55 -0.41 0.00 -0.02 0.00 0.00 54.58 54.70 3dc6 n ASN 170 Cb 0.00 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 36.81 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 -1.75 4.35 -0.29 3.53 0.31 -0.42 -4.73 118.33 119.33 3dc6 n VAL 171 Ca 0.03 -3.59 0.10 0.00 -0.01 0.00 0.00 64.34 60.87 3dc6 n VAL 171 Cb 0.20 -2.41 0.26 0.00 -0.91 0.00 0.00 33.84 30.98 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 5.34 0.35 -0.69 5.55 2.43 -1.83 -2.35 114.38 123.18 3dc6 h ARG 172 Ca 0.63 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.87 3dc6 h ARG 172 Cb 0.46 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 3dc6 h ARG 172 CO 1.70 0.23 0.46 -1.35 -1.51 0.00 0.00 179.97 179.50 3dc6 h PRO 173 N 0.36 0.60 -0.45 0.20 0.11 -1.95 -0.28 132.00 130.60 3dc6 h PRO 173 Ca 0.51 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.45 3dc6 h PRO 173 Cb 0.93 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3dc6 h PRO 173 CO -0.52 0.40 -0.23 -0.44 -0.21 0.00 0.00 178.00 176.99 3dc6 h ASP 174 N 0.62 0.96 -0.23 -2.05 5.19 -1.83 -0.34 116.42 118.75 3dc6 h ASP 174 Ca 0.31 -0.37 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 3dc6 h ASP 174 Cb 0.41 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 3dc6 h ASP 174 CO -0.10 1.15 0.07 0.22 -3.12 0.00 0.00 179.24 177.45 3dc6 h TYR 175 N 0.81 0.37 -0.98 4.55 5.03 -1.24 -0.87 116.97 124.64 3dc6 h TYR 175 Ca 0.10 -0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.40 3dc6 h TYR 175 Cb 0.80 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 38.92 3dc6 h TYR 175 CO 0.05 0.44 0.65 0.28 -1.32 0.00 0.00 178.16 178.25 3dc6 h VAL 176 N 0.20 1.20 -0.46 1.81 2.07 -0.92 -0.77 116.25 119.38 3dc6 h VAL 176 Ca 0.07 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 3dc6 h VAL 176 Cb 0.24 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 3dc6 h VAL 176 CO -0.00 0.23 -0.25 0.78 0.02 0.00 0.00 177.57 178.35 3dc6 h ASN 177 N 1.28 1.00 0.90 0.57 2.35 -0.94 -3.23 115.58 117.50 3dc6 h ASN 177 Ca 0.38 -0.40 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 3dc6 h ASN 177 Cb -0.06 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 3dc6 h ASN 177 CO -0.10 1.19 -0.48 0.00 -1.65 0.00 0.00 177.43 176.39 3dc6 h ALA 178 N 0.87 0.90 0.00 -0.83 0.00 -0.65 -3.12 119.26 116.44 3dc6 h ALA 178 Ca 0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3dc6 h ALA 178 Cb 0.83 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dc6 h ALA 178 CO 0.07 0.60 -0.07 0.97 0.00 0.00 0.00 179.25 180.82 3dc6 h ILE 179 N 0.00 0.44 0.00 0.00 2.10 -1.17 -1.03 117.51 117.84 3dc6 h ILE 179 Ca -0.00 -0.34 -0.00 0.00 1.08 0.00 0.00 64.86 65.60 3dc6 h ILE 179 Cb 1.06 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 38.02 3dc6 h ILE 179 CO 0.06 0.07 -0.01 -0.50 -1.08 0.00 0.00 178.15 176.69 3dc6 h TRP 180 N 0.00 0.00 0.00 2.19 4.06 -1.70 -1.40 115.95 119.10 3dc6 h TRP 180 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3dc6 h TRP 180 Cb 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3dc6 h TRP 180 CO 0.00 0.01 -0.13 0.87 -3.56 0.00 0.00 178.44 175.64 3dc6 h LYS 181 N 0.00 0.00 -0.14 0.49 1.57 -1.40 -2.98 116.57 114.12 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 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3dc6 h LYS 181 CO 0.00 0.13 0.00 0.44 -0.57 0.00 0.00 179.45 179.45 3dc6 n ILE 182 N -3.88 1.39 -1.74 1.86 -5.35 -0.59 -4.79 119.36 106.26 3dc6 n ILE 182 Ca -0.02 -1.40 -0.42 0.00 -0.27 0.00 0.00 62.75 60.64 3dc6 n ILE 182 Cb 0.22 0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.32 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 -1.67 3.76 -1.03 -1.28 0.00 -0.85 -0.58 121.76 120.10 3dc6 s ALA 183 Ca 0.20 1.42 -0.18 0.00 0.00 0.00 0.00 51.96 53.40 3dc6 s ALA 183 Cb 0.14 -3.75 0.13 0.00 0.00 0.00 0.00 23.12 19.64 3dc6 s ALA 183 CO 0.06 -1.20 1.28 1.21 0.00 0.00 0.00 175.76 177.11 3dc6 s ASN 184 N 2.63 6.75 0.50 0.00 3.84 0.79 -4.25 114.94 125.20 3dc6 s ASN 184 Ca 0.80 -2.27 0.24 0.00 0.21 0.00 0.00 52.86 51.84 3dc6 s ASN 184 Cb -0.45 -2.43 1.31 0.00 -0.55 0.00 0.00 41.25 39.14 3dc6 s ASN 184 CO 0.36 -1.03 2.04 -0.50 -2.79 0.00 0.00 177.10 175.18 3dc6 h TRP 185 N 8.40 0.00 -0.27 0.43 4.06 -1.21 -1.37 115.95 126.00 3dc6 h TRP 185 Ca 0.22 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.19 3dc6 h TRP 185 Cb 0.97 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.11 3dc6 h TRP 185 CO 1.17 0.15 0.13 -0.22 -3.56 0.00 0.00 178.44 176.11 3dc6 h LYS 186 N 0.00 0.27 -0.27 0.49 3.64 -1.72 0.80 116.57 119.78 3dc6 h LYS 186 Ca -0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3dc6 h LYS 186 Cb 0.36 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3dc6 h LYS 186 CO 0.02 0.18 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.33 3dc6 h ASN 187 N 0.28 0.54 -0.72 4.20 -0.73 -1.57 -1.30 115.58 116.28 3dc6 h ASN 187 Ca 0.11 -0.37 0.05 0.00 1.87 0.00 0.00 56.30 57.95 3dc6 h ASN 187 Cb 0.03 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.42 3dc6 h ASN 187 CO -0.08 0.79 0.43 0.58 -0.37 0.00 0.00 177.43 178.79 3dc6 h VAL 188 N 0.28 1.04 -0.58 2.57 2.07 -1.18 0.05 116.25 120.50 3dc6 h VAL 188 Ca 0.07 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3dc6 h VAL 188 Cb 0.56 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3dc6 h VAL 188 CO 0.03 0.15 0.26 0.28 0.02 0.00 0.00 177.57 178.31 3dc6 h SER 189 N 0.82 0.77 -0.75 0.57 0.02 -0.76 0.42 113.55 114.65 3dc6 h SER 189 Ca 0.31 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3dc6 h SER 189 Cb 0.11 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3dc6 h SER 189 CO -0.15 0.70 0.42 -0.33 -1.14 0.00 0.00 176.83 176.33 3dc6 h GLU 190 N 0.79 1.04 -0.58 3.45 5.08 -0.72 -1.10 114.58 122.53 3dc6 h GLU 190 Ca 0.20 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3dc6 h GLU 190 Cb 0.14 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3dc6 h GLU 190 CO -0.02 0.76 0.02 0.00 -1.00 0.00 0.00 179.01 178.77 3dc6 h ARG 191 N 1.03 0.99 -0.47 2.33 3.08 -0.64 -1.27 114.38 119.43 3dc6 h ARG 191 Ca 0.26 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3dc6 h ARG 191 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3dc6 h ARG 191 CO -0.04 0.96 0.25 0.35 -1.07 0.00 0.00 179.97 180.42 3dc6 h PHE 192 N 0.91 0.65 -0.53 3.04 3.57 -0.65 0.69 116.94 124.62 3dc6 h PHE 192 Ca 0.17 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3dc6 h PHE 192 Cb 0.51 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3dc6 h PHE 192 CO 0.03 0.50 0.27 0.00 -2.23 0.00 0.00 178.31 176.88 3dc6 h ALA 193 N 1.10 0.68 -0.43 2.41 0.00 -0.94 -2.67 119.26 119.41 3dc6 h ALA 193 Ca 0.16 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3dc6 h ALA 193 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3dc6 h ALA 193 CO -0.03 0.23 -0.16 -0.22 0.00 0.00 0.00 179.25 179.08 3dc6 h LYS 194 N 0.71 0.81 0.00 0.00 1.63 -1.07 -2.70 116.57 115.95 3dc6 h LYS 194 Ca 0.18 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 3dc6 h LYS 194 Cb 0.09 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3dc6 h LYS 194 CO -0.03 0.91 -0.04 0.00 -3.45 0.00 0.00 179.45 176.84 3dc6 h ALA 195 N 1.10 1.29 -0.00 5.00 0.00 -0.56 -2.35 119.26 123.73 3dc6 h ALA 195 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dc6 h ALA 195 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dc6 h ALA 195 CO 0.05 0.06 -0.32 1.04 0.00 0.00 0.00 179.25 180.07 3dc6 n GLN 196 N -3.55 0.44 0.00 0.00 6.02 -1.02 -4.91 117.38 114.36 3dc6 n GLN 196 Ca -0.02 -0.24 0.16 0.00 -0.01 0.00 0.00 57.00 56.88 3dc6 n GLN 196 Cb 0.15 -1.50 0.90 0.00 1.02 0.00 0.00 30.24 30.82 3dc6 n GLN 196 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09