#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ap6 s HIS 2 N 0.00 -0.10 0.13 2.13 3.76 -1.26 -5.10 115.29 114.85 1ap6 s HIS 2 Ca 0.00 0.23 0.07 0.00 -0.15 0.00 0.00 55.06 55.21 1ap6 s HIS 2 Cb 0.00 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.67 1ap6 s HIS 2 CO 0.00 -0.16 -0.16 -1.12 -0.85 0.00 0.00 174.74 172.45 1ap6 s SER 3 N -0.43 2.27 -0.16 1.40 0.01 -1.26 -4.93 113.70 110.60 1ap6 s SER 3 Ca -0.05 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.12 1ap6 s SER 3 Cb -0.03 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 1ap6 s SER 3 CO 0.01 -0.08 1.37 -0.22 0.41 0.00 0.00 173.24 174.73 1ap6 s LEU 4 N -2.40 4.17 0.42 2.44 2.96 -1.26 -4.99 118.68 120.02 1ap6 s LEU 4 Ca 0.10 1.76 -0.24 0.00 -0.22 0.00 0.00 54.13 55.54 1ap6 s LEU 4 Cb -0.06 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1ap6 s LEU 4 CO 0.04 -0.85 1.12 -2.16 -1.32 0.00 0.00 176.35 173.18 1ap6 s PRO 5 N 3.74 3.99 0.34 0.98 0.04 -1.26 -5.00 135.00 137.83 1ap6 s PRO 5 Ca 0.60 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 1ap6 s PRO 5 Cb -0.24 -2.52 -0.09 0.00 0.04 0.00 0.00 34.50 31.68 1ap6 s PRO 5 CO 0.19 -0.34 1.14 -0.51 0.04 0.00 0.00 177.00 177.53 1ap6 s ASP 6 N -1.38 6.90 0.24 6.66 1.01 -1.26 -4.99 116.67 123.85 1ap6 s ASP 6 Ca 0.60 2.31 -0.30 0.00 0.71 0.00 0.00 52.55 55.87 1ap6 s ASP 6 Cb -0.27 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 40.95 1ap6 s ASP 6 CO 0.33 -0.41 1.22 -0.22 0.21 0.00 0.00 175.17 176.30 1ap6 s LEU 7 N -1.99 4.46 0.00 1.23 2.96 -1.26 -4.91 118.68 119.18 1ap6 s LEU 7 Ca 0.51 2.38 0.00 0.00 -0.22 0.00 0.00 54.13 56.80 1ap6 s LEU 7 Cb -0.31 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.76 1ap6 s LEU 7 CO 0.40 -0.38 0.82 -0.81 -1.32 0.00 0.00 176.35 175.05 1ap6 n PRO 8 N 1.85 0.93 -3.78 0.98 -0.04 -1.26 -4.79 135.00 128.89 1ap6 n PRO 8 Ca 0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.40 1ap6 n PRO 8 Cb 0.44 -1.11 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1ap6 n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1ap6 s TYR 9 N -1.76 -0.15 0.52 0.54 -0.85 -1.26 -5.10 117.35 109.30 1ap6 s TYR 9 Ca 0.00 -0.22 -0.10 0.00 -0.52 0.00 0.00 57.07 56.22 1ap6 s TYR 9 Cb 0.00 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.82 1ap6 s TYR 9 CO 0.00 -1.06 0.90 0.16 -1.52 0.00 0.00 175.55 174.03 1ap6 s ASP 10 N -2.89 6.36 0.50 -0.18 -4.77 -1.26 -4.96 116.67 109.48 1ap6 s ASP 10 Ca 0.10 1.25 0.31 0.00 -3.30 0.00 0.00 52.55 50.92 1ap6 s ASP 10 Cb -0.03 -2.39 1.43 0.00 -1.09 0.00 0.00 42.92 40.84 1ap6 s ASP 10 CO 0.01 -0.65 1.81 1.88 0.70 0.00 0.00 175.17 178.92 1ap6 h TYR 11 N 0.36 0.18 -0.35 2.11 0.05 -1.95 -1.35 116.97 116.02 1ap6 h TYR 11 Ca -0.46 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1ap6 h TYR 11 Cb 1.19 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.88 1ap6 h TYR 11 CO 0.62 0.01 0.00 0.41 -1.05 0.00 0.00 178.16 178.16 1ap6 n GLY 12 N -1.68 1.13 0.17 3.88 0.00 -1.26 -4.00 105.19 103.42 1ap6 n GLY 12 Ca 0.25 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1ap6 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap6 h ALA 13 N 4.18 1.00 -0.63 4.61 0.00 -1.59 -2.97 119.26 123.85 1ap6 h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ap6 h ALA 13 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ap6 h ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ap6 n LEU 14 N -2.40 3.91 -4.81 0.00 4.77 -1.26 -4.39 117.00 112.82 1ap6 n LEU 14 Ca 0.01 -2.11 -0.33 0.00 -0.03 0.00 0.00 56.01 53.55 1ap6 n LEU 14 Cb 0.21 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1ap6 n LEU 14 CO 0.19 0.90 0.71 -1.61 -1.33 0.00 0.00 177.39 176.25 1ap6 s GLU 15 N -1.20 3.66 0.00 3.23 2.02 -1.12 -1.76 118.70 123.53 1ap6 s GLU 15 Ca 0.44 1.24 0.23 0.00 0.02 0.00 0.00 54.97 56.90 1ap6 s GLU 15 Cb 0.25 -2.08 1.27 0.00 0.10 0.00 0.00 34.13 33.66 1ap6 s GLU 15 CO 0.28 -0.54 1.83 -0.35 0.02 0.00 0.00 175.26 176.50 1ap6 n PRO 16 N -1.43 1.17 0.03 0.39 -0.04 -1.26 -4.90 135.00 128.96 1ap6 n PRO 16 Ca 0.09 -0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1ap6 n PRO 16 Cb 0.53 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 1ap6 n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ap6 h HIS 17 N 0.55 -0.03 -3.23 0.54 3.86 -1.70 -3.41 115.15 111.73 1ap6 h HIS 17 Ca 0.00 -0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1ap6 h HIS 17 Cb 0.12 0.01 -0.37 0.00 1.06 0.00 0.00 27.41 28.22 1ap6 h HIS 17 CO 0.02 0.20 -0.79 0.42 0.86 0.00 0.00 177.93 178.63 1ap6 s ILE 18 N -5.29 0.95 0.60 2.45 1.01 -0.72 -4.83 121.20 115.38 1ap6 s ILE 18 Ca -0.14 -0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 1ap6 s ILE 18 Cb 0.04 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1ap6 s ILE 18 CO 0.66 0.27 1.10 0.54 0.00 0.00 0.00 174.94 177.52 1ap6 s ASN 19 N 1.73 5.48 0.35 3.58 2.20 -1.26 -3.42 114.94 123.60 1ap6 s ASN 19 Ca 0.04 2.01 0.10 0.00 -0.94 0.00 0.00 52.86 54.07 1ap6 s ASN 19 Cb -0.13 -2.56 0.86 0.00 -2.00 0.00 0.00 41.25 37.42 1ap6 s ASN 19 CO -0.08 -1.37 1.82 0.00 -2.94 0.00 0.00 177.10 174.53 1ap6 h ALA 20 N 0.53 1.88 -0.54 3.54 0.00 -1.89 -1.90 119.26 120.87 1ap6 h ALA 20 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ap6 h ALA 20 Cb 1.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1ap6 h ALA 20 CO 0.56 -0.19 0.34 0.37 0.00 0.00 0.00 179.25 180.33 1ap6 h GLN 21 N 0.65 0.72 -0.10 0.00 4.15 -1.92 -0.12 115.11 118.49 1ap6 h GLN 21 Ca 0.52 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.87 1ap6 h GLN 21 Cb 0.95 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 1ap6 h GLN 21 CO -0.28 0.50 0.01 0.82 -1.93 0.00 0.00 178.83 177.96 1ap6 h ILE 22 N 0.73 1.22 -0.61 2.39 2.04 -1.74 -1.92 117.51 119.62 1ap6 h ILE 22 Ca 0.20 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.41 1ap6 h ILE 22 Cb -0.05 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1ap6 h ILE 22 CO -0.04 0.20 0.34 0.24 0.00 0.00 0.00 178.15 178.89 1ap6 h MET 23 N -0.07 0.63 0.01 2.37 2.86 -1.23 0.23 114.93 119.74 1ap6 h MET 23 Ca 0.03 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ap6 h MET 23 Cb 0.30 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1ap6 h MET 23 CO 0.00 0.42 -0.01 0.37 1.06 0.00 0.00 176.91 178.76 1ap6 h GLN 24 N 0.65 -0.02 -0.54 1.72 4.15 -0.96 -2.10 115.11 118.01 1ap6 h GLN 24 Ca 0.27 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1ap6 h GLN 24 Cb 0.13 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1ap6 h GLN 24 CO -0.16 0.14 0.23 -0.07 -1.93 0.00 0.00 178.83 177.04 1ap6 h LEU 25 N -0.17 0.74 -0.83 -2.39 3.38 -1.07 -0.77 115.31 114.20 1ap6 h LEU 25 Ca -0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1ap6 h LEU 25 Cb 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1ap6 h LEU 25 CO 0.00 0.70 0.43 -0.74 0.09 0.00 0.00 178.44 178.92 1ap6 h HIS 26 N 0.74 1.16 0.00 1.13 2.76 -0.48 -1.38 115.15 119.08 1ap6 h HIS 26 Ca 0.18 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1ap6 h HIS 26 Cb 0.18 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 1ap6 h HIS 26 CO 0.01 0.83 -0.18 1.25 -1.30 0.00 0.00 177.93 178.53 1ap6 h HIS 27 N 1.16 0.00 0.00 5.26 -0.00 -1.33 -0.55 115.15 119.69 1ap6 h HIS 27 Ca 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.60 1ap6 h HIS 27 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 1ap6 h HIS 27 CO 0.01 0.05 -0.27 0.66 -0.00 0.00 0.00 177.93 178.38 1ap6 h SER 28 N -1.00 0.00 0.00 3.26 4.64 -1.25 -2.88 113.55 116.33 1ap6 h SER 28 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ap6 h SER 28 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1ap6 h SER 28 CO -0.00 0.27 -0.51 0.29 -0.87 0.00 0.00 176.83 176.01 1ap6 n LYS 29 N -3.59 0.27 0.26 4.77 4.76 -0.60 -4.45 118.16 119.58 1ap6 n LYS 29 Ca -0.01 0.11 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 1ap6 n LYS 29 Cb 0.41 -0.95 -0.08 0.00 -1.84 0.00 0.00 35.03 32.57 1ap6 n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ap6 h HIS 30 N -0.51 -0.60 -0.57 2.13 3.86 -1.38 -2.19 115.15 115.88 1ap6 h HIS 30 Ca 0.00 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1ap6 h HIS 30 Cb 0.51 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 1ap6 h HIS 30 CO -0.22 -0.31 0.11 1.25 0.86 0.00 0.00 177.93 179.62 1ap6 h HIS 31 N -0.79 0.99 -0.95 2.45 -0.00 -1.13 -3.04 115.15 112.68 1ap6 h HIS 31 Ca -0.07 -0.13 0.06 0.00 -0.00 0.00 0.00 60.37 60.24 1ap6 h HIS 31 Cb 0.56 -0.28 -0.07 0.00 -0.00 0.00 0.00 27.41 27.63 1ap6 h HIS 31 CO -0.01 0.86 0.61 0.00 -0.00 0.00 0.00 177.93 179.38 1ap6 h ALA 32 N 1.01 1.32 -0.66 5.26 0.00 -1.52 -1.46 119.26 123.20 1ap6 h ALA 32 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ap6 h ALA 32 Cb 0.39 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ap6 h ALA 32 CO 0.01 0.39 0.28 0.00 0.00 0.00 0.00 179.25 179.92 1ap6 h ALA 33 N 1.44 1.25 -0.39 0.00 0.00 -1.29 -2.03 119.26 118.24 1ap6 h ALA 33 Ca 0.41 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ap6 h ALA 33 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ap6 h ALA 33 CO -0.17 0.56 0.07 0.74 0.00 0.00 0.00 179.25 180.45 1ap6 h PHE 34 N 0.95 0.68 -0.41 0.00 0.04 -1.17 -1.71 116.94 115.31 1ap6 h PHE 34 Ca 0.23 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.78 1ap6 h PHE 34 Cb 0.16 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1ap6 h PHE 34 CO 0.01 0.68 -0.24 -0.39 -0.60 0.00 0.00 178.31 177.76 1ap6 h VAL 35 N 0.49 1.27 0.10 -0.55 -1.51 -1.24 0.86 116.25 115.66 1ap6 h VAL 35 Ca 0.12 -1.38 -0.00 0.00 -1.23 0.00 0.00 66.70 64.20 1ap6 h VAL 35 Cb 0.36 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1ap6 h VAL 35 CO 0.01 0.47 -0.05 0.78 -1.23 0.00 0.00 177.57 177.54 1ap6 h ASN 36 N 0.73 -0.11 0.71 4.19 2.35 -1.29 -1.24 115.58 120.92 1ap6 h ASN 36 Ca 0.09 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1ap6 h ASN 36 Cb 0.78 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 1ap6 h ASN 36 CO 0.06 -0.07 -0.34 0.78 -1.65 0.00 0.00 177.43 176.22 1ap6 h ASN 37 N -0.15 0.00 -0.24 5.81 -0.26 -1.25 -2.76 115.58 116.73 1ap6 h ASN 37 Ca -0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.64 1ap6 h ASN 37 Cb 0.12 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1ap6 h ASN 37 CO 0.02 0.34 -0.18 0.25 -1.06 0.00 0.00 177.43 176.80 1ap6 h LEU 38 N 0.00 0.58 -0.81 1.61 5.85 -0.49 -1.49 115.31 120.55 1ap6 h LEU 38 Ca -0.00 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1ap6 h LEU 38 Cb 0.79 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1ap6 h LEU 38 CO 0.04 0.90 0.53 0.78 -0.34 0.00 0.00 178.44 180.36 1ap6 h ASN 39 N 0.25 0.94 -0.36 1.25 2.35 -1.10 -0.32 115.58 118.59 1ap6 h ASN 39 Ca 0.04 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1ap6 h ASN 39 Cb 0.72 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1ap6 h ASN 39 CO 0.05 0.69 -0.03 0.58 -1.65 0.00 0.00 177.43 177.07 1ap6 h VAL 40 N 1.10 1.27 -0.62 2.81 2.07 -1.46 -2.16 116.25 119.26 1ap6 h VAL 40 Ca 0.30 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 1ap6 h VAL 40 Cb -0.11 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1ap6 h VAL 40 CO -0.06 0.34 0.12 0.74 0.02 0.00 0.00 177.57 178.73 1ap6 h THR 41 N 0.46 1.26 -0.67 2.57 2.02 -1.05 -1.61 112.91 115.89 1ap6 h THR 41 Ca 0.10 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.24 1ap6 h THR 41 Cb 0.50 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1ap6 h THR 41 CO 0.02 0.36 0.17 -0.33 0.37 0.00 0.00 175.52 176.12 1ap6 h GLU 42 N 0.93 1.05 -0.39 6.66 5.08 -1.00 0.90 114.58 127.80 1ap6 h GLU 42 Ca 0.19 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1ap6 h GLU 42 Cb 0.40 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1ap6 h GLU 42 CO 0.01 0.92 0.07 1.49 -1.00 0.00 0.00 179.01 180.50 1ap6 h GLU 43 N 1.00 0.64 -0.43 2.33 4.22 -1.21 -1.26 114.58 119.86 1ap6 h GLU 43 Ca 0.21 -0.17 -0.08 0.00 0.08 0.00 0.00 59.36 59.41 1ap6 h GLU 43 Cb 0.34 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1ap6 h GLU 43 CO -0.00 0.68 -0.06 0.87 -2.18 0.00 0.00 179.01 178.33 1ap6 h LYS 44 N 0.49 0.73 -0.23 1.92 1.57 -0.97 -2.27 116.57 117.81 1ap6 h LYS 44 Ca 0.12 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 1ap6 h LYS 44 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1ap6 h LYS 44 CO 0.01 0.78 -0.31 -0.92 -0.57 0.00 0.00 179.45 178.44 1ap6 h TYR 45 N 0.68 0.54 -0.64 -1.35 5.03 -0.58 -1.98 116.97 118.66 1ap6 h TYR 45 Ca 0.13 -0.13 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 1ap6 h TYR 45 Cb 0.50 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.63 1ap6 h TYR 45 CO 0.02 0.73 0.16 0.37 -1.32 0.00 0.00 178.16 178.12 1ap6 h GLN 46 N 0.40 1.03 0.13 1.82 5.75 -0.88 -1.23 115.11 122.14 1ap6 h GLN 46 Ca 0.05 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1ap6 h GLN 46 Cb 0.75 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 1ap6 h GLN 46 CO 0.06 0.93 -0.11 1.49 -2.65 0.00 0.00 178.83 178.55 1ap6 h GLU 47 N 0.95 -0.25 -0.55 1.69 4.22 -1.11 -1.92 114.58 117.61 1ap6 h GLU 47 Ca 0.20 0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.67 1ap6 h GLU 47 Cb 0.36 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1ap6 h GLU 47 CO 0.00 -0.17 0.35 0.00 -2.18 0.00 0.00 179.01 177.01 1ap6 h ALA 48 N 0.59 0.70 -0.37 2.92 0.00 -1.19 -2.67 119.26 119.24 1ap6 h ALA 48 Ca -0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1ap6 h ALA 48 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ap6 h ALA 48 CO -0.02 0.09 -0.23 1.25 0.00 0.00 0.00 179.25 180.34 1ap6 h LEU 49 N 0.70 0.76 -1.23 0.00 5.85 -1.15 0.74 115.31 120.98 1ap6 h LEU 49 Ca 0.21 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1ap6 h LEU 49 Cb -0.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1ap6 h LEU 49 CO -0.07 0.97 -0.17 0.00 -0.34 0.00 0.00 178.44 178.82 1ap6 h ALA 50 N 1.09 1.36 -0.01 1.25 0.00 -1.14 -2.19 119.26 119.61 1ap6 h ALA 50 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ap6 h ALA 50 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ap6 h ALA 50 CO 0.06 0.44 -0.16 1.63 0.00 0.00 0.00 179.25 181.21 1ap6 n LYS 51 N -4.21 1.26 -1.73 0.00 5.02 -1.02 -4.94 118.16 112.55 1ap6 n LYS 51 Ca -0.00 -0.79 -0.15 0.00 -2.02 0.00 0.00 58.31 55.35 1ap6 n LYS 51 Cb 0.32 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 1ap6 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ap6 n GLY 52 N 1.28 0.90 3.56 0.72 0.00 -0.45 -4.92 105.19 106.28 1ap6 n GLY 52 Ca 0.15 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1ap6 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ap6 s ASP 53 N -2.67 6.38 0.29 1.61 -1.08 0.13 -4.84 116.67 116.48 1ap6 s ASP 53 Ca 0.00 -1.23 0.01 0.00 -0.52 0.00 0.00 52.55 50.80 1ap6 s ASP 53 Cb 0.00 -2.57 0.43 0.00 -1.46 0.00 0.00 42.92 39.32 1ap6 s ASP 53 CO 0.00 -1.62 1.78 0.58 0.52 0.00 0.00 175.17 176.43 1ap6 h VAL 54 N 6.69 1.23 -0.58 1.11 2.07 -1.91 -2.30 116.25 122.56 1ap6 h VAL 54 Ca 0.11 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 1ap6 h VAL 54 Cb 1.02 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1ap6 h VAL 54 CO 1.39 0.34 0.20 0.74 0.02 0.00 0.00 177.57 180.26 1ap6 h THR 55 N 0.60 1.24 -0.27 2.57 2.02 -1.98 -1.74 112.91 115.36 1ap6 h THR 55 Ca 0.12 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 1ap6 h THR 55 Cb 0.46 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1ap6 h THR 55 CO 0.02 0.30 -0.27 0.00 0.37 0.00 0.00 175.52 175.94 1ap6 h ALA 56 N 1.06 1.04 -0.50 6.16 0.00 -1.91 -1.08 119.26 124.03 1ap6 h ALA 56 Ca 0.19 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1ap6 h ALA 56 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ap6 h ALA 56 CO -0.01 0.58 0.10 1.96 0.00 0.00 0.00 179.25 181.88 1ap6 h GLN 57 N 0.46 0.81 -0.24 0.00 4.20 -1.13 -2.09 115.11 117.12 1ap6 h GLN 57 Ca 0.06 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.42 1ap6 h GLN 57 Cb 0.71 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1ap6 h GLN 57 CO 0.05 0.80 -0.44 0.82 -0.67 0.00 0.00 178.83 179.39 1ap6 h ILE 58 N 0.69 1.30 0.00 2.54 2.04 -1.12 -2.97 117.51 119.99 1ap6 h ILE 58 Ca 0.15 -1.63 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 1ap6 h ILE 58 Cb 0.37 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1ap6 h ILE 58 CO 0.01 0.52 -0.30 0.00 0.00 0.00 0.00 178.15 178.37 1ap6 h ALA 59 N 1.02 1.42 0.00 1.87 0.00 -1.07 -2.66 119.26 119.84 1ap6 h ALA 59 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ap6 h ALA 59 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ap6 h ALA 59 CO 0.09 0.38 -0.12 -0.07 0.00 0.00 0.00 179.25 179.52 1ap6 h LEU 60 N 0.00 0.00 -0.54 0.00 -0.00 -1.23 -3.39 115.31 110.15 1ap6 h LEU 60 Ca -0.00 -0.04 0.11 0.00 -0.00 0.00 0.00 57.88 57.95 1ap6 h LEU 60 Cb 0.57 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.13 1ap6 h LEU 60 CO 0.04 0.02 -0.03 1.56 -0.00 0.00 0.00 178.44 180.03 1ap6 h GLN 61 N 0.00 0.08 -0.78 1.13 4.20 -1.33 -1.32 115.11 117.08 1ap6 h GLN 61 Ca 0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ap6 h GLN 61 Cb 0.76 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1ap6 h GLN 61 CO 0.00 0.05 0.49 -1.35 -0.67 0.00 0.00 178.83 177.35 1ap6 h PRO 62 N 0.08 1.05 -0.42 1.46 0.11 -1.79 -1.55 132.00 130.95 1ap6 h PRO 62 Ca 0.27 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.23 1ap6 h PRO 62 Cb 0.43 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1ap6 h PRO 62 CO -0.48 0.73 -0.01 0.00 -0.21 0.00 0.00 178.00 178.03 1ap6 h ALA 63 N 1.26 0.56 -0.48 -0.75 0.00 -1.74 -1.67 119.26 116.45 1ap6 h ALA 63 Ca 0.28 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ap6 h ALA 63 Cb -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ap6 h ALA 63 CO -0.06 0.35 0.08 1.25 0.00 0.00 0.00 179.25 180.87 1ap6 h LEU 64 N 0.57 0.76 -0.39 0.00 5.85 -1.04 -0.94 115.31 120.13 1ap6 h LEU 64 Ca 0.12 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1ap6 h LEU 64 Cb 0.49 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1ap6 h LEU 64 CO 0.02 0.83 -0.07 0.50 -0.34 0.00 0.00 178.44 179.38 1ap6 h LYS 65 N 0.67 0.73 -0.13 1.25 3.64 -1.26 0.34 116.57 121.80 1ap6 h LYS 65 Ca 0.15 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1ap6 h LYS 65 Cb 0.39 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1ap6 h LYS 65 CO 0.01 0.86 -0.01 0.35 -2.27 0.00 0.00 179.45 178.39 1ap6 h PHE 66 N 0.54 0.27 0.13 1.91 3.57 -1.25 0.19 116.94 122.29 1ap6 h PHE 66 Ca 0.10 -0.05 -0.28 0.00 3.53 0.00 0.00 57.97 61.27 1ap6 h PHE 66 Cb 0.58 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.26 1ap6 h PHE 66 CO 0.05 0.50 -1.23 -0.91 -2.23 0.00 0.00 178.31 174.49 1ap6 h ASN 67 N -0.04 0.51 -0.23 0.41 4.21 -1.23 -0.78 115.58 118.44 1ap6 h ASN 67 Ca 0.04 -0.52 -0.08 0.00 1.21 0.00 0.00 56.30 56.95 1ap6 h ASN 67 Cb 0.40 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.43 1ap6 h ASN 67 CO 0.01 1.39 -0.16 1.23 -1.29 0.00 0.00 177.43 178.61 1ap6 h GLY 68 N 1.32 0.56 1.24 2.83 0.00 -0.39 -2.20 103.07 106.43 1ap6 h GLY 68 Ca -0.14 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 1ap6 h GLY 68 CO 0.21 0.48 0.10 -1.33 0.00 0.00 0.00 176.54 176.00 1ap6 h GLY 69 N 0.21 1.01 1.16 4.60 0.00 -0.69 -1.00 103.07 108.36 1ap6 h GLY 69 Ca 0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1ap6 h GLY 69 CO 0.04 0.59 0.49 -1.33 0.00 0.00 0.00 176.54 176.33 1ap6 h GLY 70 N 1.02 1.18 0.48 4.60 0.00 -1.02 0.59 103.07 109.93 1ap6 h GLY 70 Ca 0.18 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1ap6 h GLY 70 CO 0.01 0.48 -0.07 0.84 0.00 0.00 0.00 176.54 177.80 1ap6 h HIS 71 N 1.12 -0.18 -0.02 5.60 6.17 -0.95 -2.73 115.15 124.17 1ap6 h HIS 71 Ca 0.29 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.40 1ap6 h HIS 71 Cb -0.04 0.06 -0.05 0.00 2.52 0.00 0.00 27.41 29.90 1ap6 h HIS 71 CO 0.00 0.26 -0.25 0.82 0.71 0.00 0.00 177.93 179.47 1ap6 h ILE 72 N -0.71 0.42 -0.10 6.26 2.04 -1.05 -0.89 117.51 123.49 1ap6 h ILE 72 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1ap6 h ILE 72 Cb 0.52 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1ap6 h ILE 72 CO 0.03 0.00 0.00 0.78 0.00 0.00 0.00 178.15 178.96 1ap6 h ASN 73 N -0.38 -0.03 0.29 1.72 2.35 -0.98 -2.37 115.58 116.18 1ap6 h ASN 73 Ca 0.07 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 1ap6 h ASN 73 Cb 0.47 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1ap6 h ASN 73 CO -0.23 -0.00 -0.44 0.45 -1.65 0.00 0.00 177.43 175.55 1ap6 h HIS 74 N 0.04 0.23 -0.57 1.19 3.86 -1.43 -0.90 115.15 117.57 1ap6 h HIS 74 Ca 0.04 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1ap6 h HIS 74 Cb 0.05 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 1ap6 h HIS 74 CO -0.12 0.61 0.12 0.77 0.86 0.00 0.00 177.93 180.16 1ap6 h SER 75 N 0.16 0.83 -0.04 2.45 0.02 -0.93 -2.11 113.55 113.93 1ap6 h SER 75 Ca 0.01 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 1ap6 h SER 75 Cb 0.85 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1ap6 h SER 75 CO 0.07 0.83 -0.28 0.40 -1.14 0.00 0.00 176.83 176.70 1ap6 h ILE 76 N 0.85 1.47 -0.70 3.27 2.04 -1.25 -3.30 117.51 119.89 1ap6 h ILE 76 Ca 0.18 -1.78 0.15 0.00 1.00 0.00 0.00 64.86 64.41 1ap6 h ILE 76 Cb 0.34 2.48 -0.11 0.00 -0.74 0.00 0.00 36.82 38.79 1ap6 h ILE 76 CO 0.00 0.50 0.08 0.15 0.00 0.00 0.00 178.15 178.89 1ap6 h PHE 77 N -0.30 0.10 -0.96 1.37 3.57 -0.96 -1.13 116.94 118.64 1ap6 h PHE 77 Ca -0.02 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ap6 h PHE 77 Cb 0.96 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1ap6 h PHE 77 CO 0.15 -0.15 0.58 -1.49 -2.23 0.00 0.00 178.31 175.17 1ap6 h TRP 78 N 0.18 1.25 0.00 0.41 -0.00 -1.47 -1.49 115.95 114.83 1ap6 h TRP 78 Ca 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.26 1ap6 h TRP 78 Cb 0.65 -0.41 -0.00 0.00 -0.00 0.00 0.00 29.16 29.40 1ap6 h TRP 78 CO -0.33 0.82 -0.07 1.79 -0.00 0.00 0.00 178.44 180.66 1ap6 h THR 79 N 1.31 0.15 0.00 1.49 1.35 -1.33 -2.95 112.91 112.94 1ap6 h THR 79 Ca 0.34 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1ap6 h THR 79 Cb -0.07 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1ap6 h THR 79 CO -0.07 0.07 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 1ap6 n ASN 80 N -3.16 0.26 -4.64 5.36 5.03 -0.58 -4.74 115.26 112.80 1ap6 n ASN 80 Ca 0.01 0.53 -0.29 0.00 0.87 0.00 0.00 54.58 55.70 1ap6 n ASN 80 Cb 0.41 -0.60 -0.09 0.00 -1.02 0.00 0.00 39.78 38.49 1ap6 n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ap6 s LEU 81 N -3.50 3.26 -0.26 3.41 1.43 -1.11 0.53 118.68 122.45 1ap6 s LEU 81 Ca 0.12 -0.32 -0.26 0.00 -1.03 0.00 0.00 54.13 52.65 1ap6 s LEU 81 Cb 0.16 -2.00 0.10 0.00 0.03 0.00 0.00 46.19 44.48 1ap6 s LEU 81 CO 0.53 0.15 0.87 -0.55 0.23 0.00 0.00 176.35 177.58 1ap6 s SER 82 N -2.44 -0.60 0.57 2.29 0.15 0.10 -4.66 113.70 109.12 1ap6 s SER 82 Ca 0.25 1.10 0.35 0.00 0.70 0.00 0.00 55.95 58.34 1ap6 s SER 82 Cb -0.11 1.10 1.65 0.00 -1.71 0.00 0.00 66.02 66.95 1ap6 s SER 82 CO 0.17 -0.23 2.10 1.55 1.20 0.00 0.00 173.24 178.02 1ap6 h PRO 83 N 4.40 0.00 -0.12 5.44 0.13 -1.84 0.14 132.00 140.15 1ap6 h PRO 83 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ap6 h PRO 83 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ap6 h PRO 83 CO 0.11 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.01 1ap6 n ASN 84 N -3.24 2.05 -2.67 1.44 4.13 -1.26 -4.96 115.26 110.75 1ap6 n ASN 84 Ca -0.01 -1.72 0.00 0.00 1.68 0.00 0.00 54.58 54.53 1ap6 n ASN 84 Cb 0.23 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1ap6 n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ap6 n GLY 85 N 1.23 -1.98 0.57 7.41 0.00 0.03 -5.01 105.19 107.45 1ap6 n GLY 85 Ca 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1ap6 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ap6 n GLY 86 N 3.18 -2.72 7.00 -0.02 0.00 0.06 -4.67 105.19 108.02 1ap6 n GLY 86 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1ap6 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ap6 n GLY 87 N -0.06 1.07 3.24 -0.02 0.00 -1.26 -4.79 105.19 103.36 1ap6 n GLY 87 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1ap6 n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ap6 s GLU 88 N 0.00 1.03 0.75 1.61 2.02 -1.26 -5.02 118.70 117.83 1ap6 s GLU 88 Ca 0.00 -1.41 -0.11 0.00 0.02 0.00 0.00 54.97 53.47 1ap6 s GLU 88 Cb 0.00 -0.61 0.04 0.00 0.10 0.00 0.00 34.13 33.66 1ap6 s GLU 88 CO 0.00 0.08 1.09 -1.25 0.02 0.00 0.00 175.26 175.19 1ap6 s PRO 89 N -3.62 2.51 0.42 0.39 0.04 -1.26 -5.00 135.00 128.48 1ap6 s PRO 89 Ca 0.15 0.67 0.07 0.00 0.04 0.00 0.00 61.00 61.93 1ap6 s PRO 89 Cb 0.02 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 1ap6 s PRO 89 CO 0.00 -1.33 0.02 0.15 0.04 0.00 0.00 177.00 175.88 1ap6 s LYS 90 N -5.18 1.99 6.30 4.56 1.02 -1.26 -4.63 119.74 122.54 1ap6 s LYS 90 Ca 0.59 -2.12 0.00 0.00 0.02 0.00 0.00 55.97 54.46 1ap6 s LYS 90 Cb -0.13 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1ap6 s LYS 90 CO 0.54 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 1ap6 n GLY 91 N -1.01 3.03 0.30 -3.33 0.00 -1.26 -3.72 105.19 99.19 1ap6 n GLY 91 Ca -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 1ap6 n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ap6 h GLU 92 N 0.00 0.98 -0.27 1.61 5.08 -1.99 -2.21 114.58 117.78 1ap6 h GLU 92 Ca 0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1ap6 h GLU 92 Cb 0.00 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1ap6 h GLU 92 CO 0.00 0.65 0.07 1.25 -1.00 0.00 0.00 179.01 179.97 1ap6 h LEU 93 N 1.01 0.04 -1.00 1.33 6.46 -1.95 0.11 115.31 121.31 1ap6 h LEU 93 Ca 0.29 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 1ap6 h LEU 93 Cb -0.07 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 1ap6 h LEU 93 CO -0.08 0.06 0.47 0.25 -0.62 0.00 0.00 178.44 178.52 1ap6 h LEU 94 N 0.17 1.05 -0.27 2.25 5.85 -1.61 0.09 115.31 122.83 1ap6 h LEU 94 Ca 0.12 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ap6 h LEU 94 Cb 0.11 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1ap6 h LEU 94 CO -0.15 0.83 0.11 -0.33 -0.34 0.00 0.00 178.44 178.56 1ap6 h GLU 95 N 1.18 0.41 -0.50 1.25 4.39 -0.75 -0.73 114.58 119.83 1ap6 h GLU 95 Ca 0.30 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 1ap6 h GLU 95 Cb 0.01 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1ap6 h GLU 95 CO -0.05 0.44 0.21 0.00 -1.16 0.00 0.00 179.01 178.45 1ap6 h ALA 96 N 0.95 1.42 -0.28 3.43 0.00 -0.34 -0.28 119.26 124.16 1ap6 h ALA 96 Ca 0.09 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ap6 h ALA 96 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ap6 h ALA 96 CO -0.01 0.45 -0.16 0.82 0.00 0.00 0.00 179.25 180.35 1ap6 h ILE 97 N 0.72 1.30 -0.48 0.00 2.04 -0.65 -0.70 117.51 119.74 1ap6 h ILE 97 Ca 0.17 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1ap6 h ILE 97 Cb 0.14 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1ap6 h ILE 97 CO -0.02 0.40 0.24 0.11 0.00 0.00 0.00 178.15 178.88 1ap6 h LYS 98 N 0.34 0.68 -0.06 2.37 1.57 -0.72 0.12 116.57 120.87 1ap6 h LYS 98 Ca 0.06 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ap6 h LYS 98 Cb 0.69 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1ap6 h LYS 98 CO 0.05 0.56 0.03 -0.09 -0.57 0.00 0.00 179.45 179.43 1ap6 h ARG 99 N 0.63 0.09 0.02 3.15 2.43 -1.00 -1.08 114.38 118.62 1ap6 h ARG 99 Ca 0.16 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.10 1ap6 h ARG 99 Cb 0.10 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1ap6 h ARG 99 CO -0.02 0.21 -1.01 -0.44 -1.51 0.00 0.00 179.97 177.21 1ap6 h ASP 100 N -0.05 0.08 -0.03 -3.80 3.32 -1.06 -3.38 116.42 111.49 1ap6 h ASP 100 Ca 0.02 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1ap6 h ASP 100 Cb 0.16 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ap6 h ASP 100 CO -0.00 1.03 0.00 0.49 -1.72 0.00 0.00 179.24 179.04 1ap6 n PHE 101 N -3.42 0.04 0.00 4.55 3.72 0.02 -5.02 117.46 117.35 1ap6 n PHE 101 Ca -0.02 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1ap6 n PHE 101 Cb 0.93 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 1ap6 n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ap6 n GLY 102 N -0.02 2.64 3.12 1.37 0.00 -0.41 -4.30 105.19 107.59 1ap6 n GLY 102 Ca 0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 1ap6 n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ap6 n SER 103 N 2.13 -1.62 0.08 1.61 3.41 -1.25 -4.76 113.62 113.22 1ap6 n SER 103 Ca 0.00 -1.98 -0.11 0.00 -0.26 0.00 0.00 58.87 56.52 1ap6 n SER 103 Cb 0.00 2.66 -0.04 0.00 -0.26 0.00 0.00 64.21 66.58 1ap6 n SER 103 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ap6 h PHE 104 N 1.81 0.41 -0.29 7.33 3.57 -1.90 -2.81 116.94 125.06 1ap6 h PHE 104 Ca -0.25 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 60.98 1ap6 h PHE 104 Cb 0.99 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1ap6 h PHE 104 CO 0.00 1.07 0.01 -0.44 -2.23 0.00 0.00 178.31 176.72 1ap6 h ASP 105 N 0.14 0.49 -0.53 0.41 3.32 -1.96 0.48 116.42 118.77 1ap6 h ASP 105 Ca -0.06 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 1ap6 h ASP 105 Cb 1.59 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.98 1ap6 h ASP 105 CO 0.15 0.67 0.23 0.11 -1.72 0.00 0.00 179.24 178.68 1ap6 h LYS 106 N 0.30 0.82 -0.60 3.56 1.57 -1.82 -1.02 116.57 119.37 1ap6 h LYS 106 Ca 0.08 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1ap6 h LYS 106 Cb 0.41 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1ap6 h LYS 106 CO 0.01 0.67 0.03 0.35 -0.57 0.00 0.00 179.45 179.94 1ap6 h PHE 107 N 0.81 1.13 -0.44 -1.35 3.57 -1.20 -1.66 116.94 117.80 1ap6 h PHE 107 Ca 0.20 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1ap6 h PHE 107 Cb 0.15 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1ap6 h PHE 107 CO 0.01 0.99 0.24 0.87 -2.23 0.00 0.00 178.31 178.19 1ap6 h LYS 108 N 0.95 0.62 -0.34 1.11 1.57 -0.23 -1.57 116.57 118.68 1ap6 h LYS 108 Ca 0.17 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1ap6 h LYS 108 Cb 0.52 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1ap6 h LYS 108 CO 0.03 0.50 0.18 0.93 -0.57 0.00 0.00 179.45 180.51 1ap6 h GLU 109 N 0.58 0.48 -0.34 3.15 5.08 -1.05 -1.05 114.58 121.43 1ap6 h GLU 109 Ca 0.16 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ap6 h GLU 109 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1ap6 h GLU 109 CO -0.02 0.42 0.11 0.87 -1.00 0.00 0.00 179.01 179.38 1ap6 h LYS 110 N 0.42 0.52 -0.25 2.33 1.57 -1.15 0.14 116.57 120.15 1ap6 h LYS 110 Ca 0.12 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1ap6 h LYS 110 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1ap6 h LYS 110 CO -0.02 0.55 -0.34 1.25 -0.57 0.00 0.00 179.45 180.32 1ap6 h LEU 111 N 0.39 0.56 -0.29 2.94 5.85 -1.27 -1.44 115.31 122.05 1ap6 h LEU 111 Ca 0.11 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1ap6 h LEU 111 Cb 0.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1ap6 h LEU 111 CO -0.00 0.86 0.04 0.74 -0.34 0.00 0.00 178.44 179.74 1ap6 h THR 112 N 0.46 1.24 -0.79 1.05 2.02 -1.01 -2.03 112.91 113.85 1ap6 h THR 112 Ca 0.05 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1ap6 h THR 112 Cb 0.81 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 1ap6 h THR 112 CO 0.07 0.27 0.37 0.00 0.37 0.00 0.00 175.52 176.59 1ap6 h ALA 113 N 0.87 1.16 -0.10 6.16 0.00 -0.56 -0.23 119.26 126.56 1ap6 h ALA 113 Ca 0.09 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1ap6 h ALA 113 Cb 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ap6 h ALA 113 CO 0.01 0.63 -0.47 0.00 0.00 0.00 0.00 179.25 179.42 1ap6 h ALA 114 N 1.28 1.02 0.03 0.00 0.00 -1.12 -0.89 119.26 119.57 1ap6 h ALA 114 Ca 0.27 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ap6 h ALA 114 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ap6 h ALA 114 CO -0.03 0.64 -0.02 0.77 0.00 0.00 0.00 179.25 180.61 1ap6 h SER 115 N 0.20 -0.04 0.18 0.00 0.02 -1.05 -3.19 113.55 109.68 1ap6 h SER 115 Ca 0.01 -0.67 -0.02 0.00 -0.84 0.00 0.00 61.79 60.26 1ap6 h SER 115 Cb 0.91 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1ap6 h SER 115 CO 0.07 0.71 -0.11 0.58 -1.14 0.00 0.00 176.83 176.94 1ap6 h VAL 116 N -0.83 0.85 -0.00 2.27 2.07 -1.09 -2.81 116.25 116.71 1ap6 h VAL 116 Ca -0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ap6 h VAL 116 Cb 0.71 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ap6 h VAL 116 CO 0.01 0.11 -0.03 0.61 0.02 0.00 0.00 177.57 178.28 1ap6 n GLY 117 N -1.03 -1.45 3.71 2.17 0.00 -0.34 -4.85 105.19 103.41 1ap6 n GLY 117 Ca -0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1ap6 n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ap6 s VAL 118 N -2.94 3.57 -0.38 1.61 -7.23 -1.06 -4.96 120.40 109.01 1ap6 s VAL 118 Ca 0.16 1.11 -0.23 0.00 -1.81 0.00 0.00 61.98 61.22 1ap6 s VAL 118 Cb 0.19 -3.71 0.01 0.00 0.56 0.00 0.00 36.38 33.43 1ap6 s VAL 118 CO 0.53 0.08 0.75 -1.10 -0.31 0.00 0.00 175.10 175.05 1ap6 s GLN 119 N 1.25 3.65 0.92 4.82 -0.21 -1.26 -4.85 119.66 123.97 1ap6 s GLN 119 Ca 0.63 0.15 0.00 0.00 0.02 0.00 0.00 55.36 56.16 1ap6 s GLN 119 Cb -0.34 -3.84 0.00 0.00 1.00 0.00 0.00 33.01 29.83 1ap6 s GLN 119 CO 0.29 -0.89 0.00 0.41 -2.12 0.00 0.00 175.29 172.98 1ap6 n GLY 120 N 4.67 -0.10 3.84 3.09 0.00 -1.26 -4.92 105.19 110.50 1ap6 n GLY 120 Ca 0.02 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1ap6 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ap6 s SER 121 N -4.00 6.86 0.00 1.61 0.01 -1.26 -4.84 113.70 112.09 1ap6 s SER 121 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1ap6 s SER 121 Cb 0.00 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1ap6 s SER 121 CO 0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1ap6 n GLY 122 N 0.39 -1.11 3.00 3.44 0.00 -1.26 -0.86 105.19 108.79 1ap6 n GLY 122 Ca -0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1ap6 n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ap6 s TRP 123 N -3.00 0.38 -0.15 1.61 0.52 -0.06 -1.45 118.94 116.78 1ap6 s TRP 123 Ca 0.00 -0.51 -0.05 0.00 0.02 0.00 0.00 56.10 55.56 1ap6 s TRP 123 Cb 0.00 -0.25 -0.03 0.00 -1.15 0.00 0.00 33.47 32.04 1ap6 s TRP 123 CO 0.00 -0.16 0.00 0.20 0.02 0.00 0.00 176.95 177.02 1ap6 s GLY 124 N -1.47 1.81 0.02 0.98 0.00 -0.16 -1.36 107.32 107.14 1ap6 s GLY 124 Ca -0.14 -0.79 0.05 0.00 0.00 0.00 0.00 44.72 43.84 1ap6 s GLY 124 CO -0.01 -0.10 -0.14 -0.98 0.00 0.00 0.00 173.10 171.87 1ap6 s TRP 125 N 0.16 1.23 -0.29 1.90 0.52 0.10 -0.26 118.94 122.31 1ap6 s TRP 125 Ca 0.01 -0.30 -0.07 0.00 0.02 0.00 0.00 56.10 55.76 1ap6 s TRP 125 Cb -0.13 -0.75 0.00 0.00 -1.15 0.00 0.00 33.47 31.44 1ap6 s TRP 125 CO 0.02 0.01 0.07 -1.17 0.02 0.00 0.00 176.95 175.91 1ap6 s LEU 126 N -0.82 3.75 0.37 2.99 2.96 -0.11 -1.45 118.68 126.38 1ap6 s LEU 126 Ca 0.03 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 53.36 1ap6 s LEU 126 Cb -0.07 -1.88 -0.06 0.00 0.50 0.00 0.00 46.19 44.68 1ap6 s LEU 126 CO 0.01 -0.16 0.04 -0.83 -1.32 0.00 0.00 176.35 174.09 1ap6 s GLY 127 N 1.52 2.29 -0.15 7.98 0.00 0.77 -1.71 107.32 118.01 1ap6 s GLY 127 Ca 0.03 -2.01 -0.02 0.00 0.00 0.00 0.00 44.72 42.73 1ap6 s GLY 127 CO 0.02 -1.92 -0.09 -0.12 0.00 0.00 0.00 173.10 170.99 1ap6 s PHE 128 N -3.09 2.89 -0.59 1.90 5.36 0.11 -0.93 117.98 123.63 1ap6 s PHE 128 Ca 0.34 -0.61 -0.18 0.00 -0.96 0.00 0.00 56.93 55.52 1ap6 s PHE 128 Cb 0.08 -1.92 0.11 0.00 -0.34 0.00 0.00 43.02 40.96 1ap6 s PHE 128 CO 0.16 -0.22 0.67 1.21 -1.46 0.00 0.00 175.22 175.58 1ap6 s ASN 129 N 0.54 6.21 0.26 6.13 3.84 0.18 -1.36 114.94 130.74 1ap6 s ASN 129 Ca -0.06 -1.56 -0.05 0.00 0.21 0.00 0.00 52.86 51.40 1ap6 s ASN 129 Cb -0.15 -2.28 0.31 0.00 -0.55 0.00 0.00 41.25 38.58 1ap6 s ASN 129 CO 0.03 -1.05 1.94 0.11 -2.79 0.00 0.00 177.10 175.34 1ap6 h LYS 130 N 9.08 1.26 -0.70 0.43 1.79 -1.88 0.22 116.57 126.77 1ap6 h LYS 130 Ca -0.28 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.06 1ap6 h LYS 130 Cb 1.09 -0.28 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 1ap6 h LYS 130 CO 1.08 0.83 0.22 1.49 -1.08 0.00 0.00 179.45 182.00 1ap6 h GLU 131 N 1.30 1.08 -0.01 3.15 4.81 -1.96 -3.13 114.58 119.83 1ap6 h GLU 131 Ca 0.36 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1ap6 h GLU 131 Cb -0.14 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.08 1ap6 h GLU 131 CO -0.08 0.92 -0.72 0.54 -0.73 0.00 0.00 179.01 178.93 1ap6 n ARG 132 N -4.26 0.80 -1.35 1.92 5.12 -1.15 -4.99 116.66 112.75 1ap6 n ARG 132 Ca 0.06 -0.43 -0.12 0.00 -1.93 0.00 0.00 57.85 55.43 1ap6 n ARG 132 Cb 0.22 -1.44 -0.05 0.00 -1.16 0.00 0.00 32.46 30.03 1ap6 n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ap6 n GLY 133 N 1.43 1.31 3.43 -0.13 0.00 0.77 -5.01 105.19 106.98 1ap6 n GLY 133 Ca 0.06 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1ap6 n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ap6 s HIS 134 N -2.45 1.91 0.40 1.61 -3.43 -1.09 -4.96 115.29 107.28 1ap6 s HIS 134 Ca 0.00 -0.84 -0.20 0.00 -0.80 0.00 0.00 55.06 53.22 1ap6 s HIS 134 Cb 0.00 -1.17 -0.10 0.00 -1.43 0.00 0.00 32.58 29.87 1ap6 s HIS 134 CO 0.00 0.13 0.90 -0.51 -2.00 0.00 0.00 174.74 173.26 1ap6 s LEU 135 N -3.45 3.99 -0.12 5.38 1.43 -1.26 -0.65 118.68 124.00 1ap6 s LEU 135 Ca 0.32 1.61 -0.13 0.00 -1.03 0.00 0.00 54.13 54.90 1ap6 s LEU 135 Cb 0.06 -4.40 0.04 0.00 0.03 0.00 0.00 46.19 41.91 1ap6 s LEU 135 CO 0.13 -0.31 0.37 -1.58 0.23 0.00 0.00 176.35 175.19 1ap6 s GLN 136 N -3.05 0.47 -0.15 1.70 0.74 -0.10 -4.88 119.66 114.39 1ap6 s GLN 136 Ca 0.59 0.43 -0.08 0.00 0.05 0.00 0.00 55.36 56.35 1ap6 s GLN 136 Cb -0.10 0.23 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 1ap6 s GLN 136 CO 0.15 -0.07 0.13 0.42 -0.55 0.00 0.00 175.29 175.37 1ap6 s ILE 137 N -0.01 5.44 0.03 -2.34 1.01 -1.26 -0.16 121.20 123.91 1ap6 s ILE 137 Ca -0.02 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 1ap6 s ILE 137 Cb -0.03 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1ap6 s ILE 137 CO 0.01 0.55 0.09 0.00 0.00 0.00 0.00 174.94 175.59 1ap6 s ALA 138 N -0.49 -0.06 -0.04 9.38 0.00 -0.52 -4.98 121.76 125.05 1ap6 s ALA 138 Ca 0.12 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.61 1ap6 s ALA 138 Cb -0.12 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1ap6 s ALA 138 CO 0.02 -0.30 -0.24 0.00 0.00 0.00 0.00 175.76 175.23 1ap6 s ALA 139 N -2.46 2.22 -0.05 0.00 0.00 -1.26 0.03 121.76 120.23 1ap6 s ALA 139 Ca -0.06 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.88 1ap6 s ALA 139 Cb -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1ap6 s ALA 139 CO -0.04 0.49 -0.23 0.00 0.00 0.00 0.00 175.76 175.98 1ap6 s PRO 141 N -0.15 4.05 2.49 0.00 0.04 -1.26 -0.88 135.00 139.28 1ap6 s PRO 141 Ca -0.02 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1ap6 s PRO 141 Cb -0.13 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1ap6 s PRO 141 CO 0.03 -0.22 0.00 0.09 0.04 0.00 0.00 177.00 176.94 1ap6 n ASN 142 N -0.49 0.00 -0.44 6.66 3.02 -0.04 -1.49 115.26 122.48 1ap6 n ASN 142 Ca 0.07 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.68 1ap6 n ASN 142 Cb 0.51 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.84 1ap6 n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ap6 n GLN 143 N 6.90 2.53 -1.65 3.52 1.13 -1.26 -4.17 117.38 124.37 1ap6 n GLN 143 Ca 0.00 -2.31 -0.46 0.00 -1.94 0.00 0.00 57.00 52.29 1ap6 n GLN 143 Cb 0.00 -1.45 -0.04 0.00 0.11 0.00 0.00 30.24 28.86 1ap6 n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1ap6 n ASP 144 N -0.49 3.58 -4.77 1.08 9.92 -0.55 -3.84 116.55 121.48 1ap6 n ASP 144 Ca 0.13 0.82 -0.38 0.00 -0.53 0.00 0.00 54.79 54.83 1ap6 n ASP 144 Cb 0.58 -1.44 -0.03 0.00 -0.64 0.00 0.00 41.12 39.59 1ap6 n ASP 144 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1ap6 s PRO 145 N 4.64 4.25 0.09 -0.24 0.04 -1.26 -4.73 135.00 137.80 1ap6 s PRO 145 Ca 0.94 1.71 -0.31 0.00 0.04 0.00 0.00 61.00 63.38 1ap6 s PRO 145 Cb -0.58 -2.76 -0.13 0.00 0.04 0.00 0.00 34.50 31.07 1ap6 s PRO 145 CO 0.47 -0.11 1.62 1.25 0.04 0.00 0.00 177.00 180.26 1ap6 h LEU 146 N 2.90 -0.91 -0.21 -3.56 5.85 -1.91 -2.53 115.31 114.93 1ap6 h LEU 146 Ca -0.48 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 1ap6 h LEU 146 Cb 1.22 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1ap6 h LEU 146 CO 0.64 -0.48 0.02 -0.61 -0.34 0.00 0.00 178.44 177.66 1ap6 h GLN 147 N -0.71 0.36 0.00 1.25 4.15 -1.85 0.50 115.11 118.80 1ap6 h GLN 147 Ca -0.02 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1ap6 h GLN 147 Cb 0.64 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 1ap6 h GLN 147 CO -0.05 0.53 -0.07 0.78 -1.93 0.00 0.00 178.83 178.09 1ap6 h GLY 148 N 0.14 0.00 0.00 2.39 0.00 -1.87 0.39 103.07 104.12 1ap6 h GLY 148 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ap6 h GLY 148 CO 0.01 0.00 -0.54 -1.30 0.00 0.00 0.00 176.54 174.71 1ap6 n THR 149 N -4.15 0.00 0.00 4.70 -2.24 -0.96 -4.75 114.28 106.88 1ap6 n THR 149 Ca -0.03 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1ap6 n THR 149 Cb 0.15 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1ap6 n THR 149 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ap6 n THR 150 N -1.29 0.00 0.00 4.28 -1.04 0.16 -5.02 114.28 111.37 1ap6 n THR 150 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1ap6 n THR 150 Cb 0.13 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1ap6 n THR 150 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ap6 n GLY 151 N 2.36 2.95 3.78 3.41 0.00 0.12 -4.99 105.19 112.82 1ap6 n GLY 151 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ap6 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ap6 s LEU 152 N 0.00 4.01 -0.20 0.99 1.43 -1.26 -4.83 118.68 118.81 1ap6 s LEU 152 Ca 0.00 2.12 -0.22 0.00 -1.03 0.00 0.00 54.13 55.00 1ap6 s LEU 152 Cb 0.00 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 1ap6 s LEU 152 CO 0.00 -0.75 0.69 -0.63 0.23 0.00 0.00 176.35 175.89 1ap6 s ILE 153 N -1.69 4.97 0.19 -0.59 -1.09 -0.47 -2.79 121.20 119.73 1ap6 s ILE 153 Ca 0.63 1.31 -0.30 0.00 -2.23 0.00 0.00 60.65 60.06 1ap6 s ILE 153 Cb -0.23 -4.00 -0.08 0.00 -1.58 0.00 0.00 42.46 36.56 1ap6 s ILE 153 CO 0.28 0.07 1.23 -2.16 -1.23 0.00 0.00 174.94 173.13 1ap6 s PRO 154 N 2.10 4.46 -0.02 2.79 0.04 -1.26 0.06 135.00 143.18 1ap6 s PRO 154 Ca 0.31 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.28 1ap6 s PRO 154 Cb -0.16 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1ap6 s PRO 154 CO 0.10 -0.13 -0.02 1.28 0.04 0.00 0.00 177.00 178.27 1ap6 n LEU 155 N 2.48 0.61 -3.75 -3.56 4.77 -0.70 -4.92 117.00 111.95 1ap6 n LEU 155 Ca 0.05 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.89 1ap6 n LEU 155 Cb 0.44 -0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 41.32 1ap6 n LEU 155 CO 0.56 0.12 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.22 1ap6 s LEU 156 N -5.92 0.82 -0.01 2.23 2.96 -1.05 -4.52 118.68 113.18 1ap6 s LEU 156 Ca -0.02 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 1ap6 s LEU 156 Cb 0.01 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.77 1ap6 s LEU 156 CO 0.03 -0.15 -0.21 -0.83 -1.32 0.00 0.00 176.35 173.87 1ap6 s GLY 157 N 1.26 1.01 -0.23 7.98 0.00 -1.26 -0.93 107.32 115.15 1ap6 s GLY 157 Ca -0.07 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1ap6 s GLY 157 CO -0.04 -0.75 -0.13 -0.42 0.00 0.00 0.00 173.10 171.76 1ap6 s ILE 158 N -0.50 2.28 -0.28 0.90 1.01 0.64 -4.84 121.20 120.41 1ap6 s ILE 158 Ca 0.08 -1.28 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 1ap6 s ILE 158 Cb -0.08 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 1ap6 s ILE 158 CO -0.01 0.21 1.28 -0.62 0.00 0.00 0.00 174.94 175.81 1ap6 s ASP 159 N 1.21 6.72 -0.16 3.58 -1.08 -1.26 -0.99 116.67 124.69 1ap6 s ASP 159 Ca -0.02 1.27 0.16 0.00 -0.52 0.00 0.00 52.55 53.43 1ap6 s ASP 159 Cb -0.17 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.29 1ap6 s ASP 159 CO -0.08 -1.03 1.44 1.33 0.52 0.00 0.00 175.17 177.36 1ap6 n VAL 160 N 6.08 2.17 -2.16 1.11 0.24 -0.53 -4.82 118.33 120.42 1ap6 n VAL 160 Ca 0.14 -1.71 -0.39 0.00 -2.04 0.00 0.00 64.34 60.35 1ap6 n VAL 160 Cb 0.46 -0.16 -0.01 0.00 -1.47 0.00 0.00 33.84 32.67 1ap6 n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1ap6 s TRP 161 N -2.57 2.91 0.54 6.34 0.52 -1.22 -4.50 118.94 120.95 1ap6 s TRP 161 Ca 0.42 1.48 0.25 0.00 0.02 0.00 0.00 56.10 58.27 1ap6 s TRP 161 Cb 0.32 -3.53 1.41 0.00 -1.15 0.00 0.00 33.47 30.52 1ap6 s TRP 161 CO 0.11 -1.74 2.02 0.93 0.02 0.00 0.00 176.95 178.28 1ap6 h GLU 162 N 2.57 0.00 0.00 4.98 5.08 -1.93 -1.35 114.58 123.93 1ap6 h GLU 162 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1ap6 h GLU 162 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ap6 h GLU 162 CO 0.62 0.00 0.00 1.12 -1.00 0.00 0.00 179.01 179.75 1ap6 h HIS 163 N 0.00 0.00 0.00 4.33 2.07 -1.98 0.34 115.15 119.91 1ap6 h HIS 163 Ca 0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.73 1ap6 h HIS 163 Cb 0.88 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.86 1ap6 h HIS 163 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1ap6 n ALA 164 N -1.95 2.29 -0.24 6.11 0.00 -0.51 -4.50 120.51 121.72 1ap6 n ALA 164 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ap6 n ALA 164 Cb 0.19 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1ap6 n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ap6 n TYR 165 N -1.99 0.00 -0.19 0.00 0.18 -0.87 -4.98 117.16 109.30 1ap6 n TYR 165 Ca 0.06 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.83 1ap6 n TYR 165 Cb 0.39 0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.45 1ap6 n TYR 165 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1ap6 h TYR 166 N 0.00 0.35 -0.65 -3.48 3.20 -0.53 0.15 116.97 116.01 1ap6 h TYR 166 Ca 0.00 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.01 1ap6 h TYR 166 Cb 0.00 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1ap6 h TYR 166 CO 0.00 0.08 0.44 -0.07 -1.64 0.00 0.00 178.16 176.97 1ap6 h LEU 167 N 0.38 0.39 0.01 2.82 3.38 -1.88 0.33 115.31 120.73 1ap6 h LEU 167 Ca 0.29 0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.86 1ap6 h LEU 167 Cb 0.37 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1ap6 h LEU 167 CO -0.31 0.23 -2.37 1.67 0.09 0.00 0.00 178.44 177.74 1ap6 n GLN 168 N -4.47 0.61 -0.06 1.13 7.27 -1.00 -4.66 117.38 116.20 1ap6 n GLN 168 Ca 0.11 0.27 0.09 0.00 0.07 0.00 0.00 57.00 57.55 1ap6 n GLN 168 Cb 0.41 -1.53 0.11 0.00 2.41 0.00 0.00 30.24 31.64 1ap6 n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1ap6 n TYR 169 N -4.02 0.15 -1.84 3.69 4.01 0.48 -5.06 117.16 114.57 1ap6 n TYR 169 Ca -0.49 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 1ap6 n TYR 169 Cb 0.90 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1ap6 n TYR 169 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1ap6 n LYS 170 N 1.07 0.00 0.04 -0.72 4.76 0.11 -1.59 118.16 121.84 1ap6 n LYS 170 Ca 0.12 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 1ap6 n LYS 170 Cb 0.48 0.00 0.49 0.00 -1.84 0.00 0.00 35.03 34.16 1ap6 n LYS 170 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1ap6 n ASN 171 N 1.79 0.29 -4.58 4.39 6.94 -1.26 -4.27 115.26 118.57 1ap6 n ASN 171 Ca 0.00 0.54 -0.41 0.00 -0.02 0.00 0.00 54.58 54.69 1ap6 n ASN 171 Cb 0.00 -0.61 -0.01 0.00 -2.36 0.00 0.00 39.78 36.80 1ap6 n ASN 171 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ap6 s VAL 172 N -3.06 4.03 0.34 3.53 1.01 -0.62 -4.81 120.40 120.83 1ap6 s VAL 172 Ca 0.11 -1.70 0.03 0.00 0.00 0.00 0.00 61.98 60.42 1ap6 s VAL 172 Cb 0.14 -5.11 0.28 0.00 0.00 0.00 0.00 36.38 31.69 1ap6 s VAL 172 CO 0.49 -1.90 1.97 -0.09 0.00 0.00 0.00 175.10 175.57 1ap6 h ARG 173 N 8.02 0.83 0.00 2.72 2.43 -1.83 -2.40 114.38 124.16 1ap6 h ARG 173 Ca 0.40 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1ap6 h ARG 173 Cb 0.89 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1ap6 h ARG 173 CO 1.43 0.55 -0.10 -1.35 -1.51 0.00 0.00 179.97 178.99 1ap6 h PRO 174 N 0.86 0.00 -0.25 0.20 0.11 -1.97 -1.08 132.00 129.87 1ap6 h PRO 174 Ca 0.29 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 1ap6 h PRO 174 Cb 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 1ap6 h PRO 174 CO -0.09 0.10 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.14 1ap6 h ASP 175 N 0.00 0.62 -0.42 -2.05 5.19 -1.82 -1.48 116.42 116.46 1ap6 h ASP 175 Ca -0.00 -0.47 0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1ap6 h ASP 175 Cb 0.19 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1ap6 h ASP 175 CO 0.01 0.96 0.28 0.22 -3.12 0.00 0.00 179.24 177.59 1ap6 h TYR 176 N 0.30 0.52 -0.16 4.55 3.20 -1.35 -1.98 116.97 122.06 1ap6 h TYR 176 Ca 0.04 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 1ap6 h TYR 176 Cb 0.77 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1ap6 h TYR 176 CO 0.07 0.33 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.54 1ap6 h LEU 177 N 0.56 0.31 -0.61 2.82 4.07 -1.15 -1.14 115.31 120.16 1ap6 h LEU 177 Ca 0.16 -0.11 -0.13 0.00 0.08 0.00 0.00 57.88 57.88 1ap6 h LEU 177 Cb -0.06 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1ap6 h LEU 177 CO -0.04 0.61 -0.30 0.50 -1.08 0.00 0.00 178.44 178.13 1ap6 h LYS 178 N 0.27 0.78 0.00 1.13 1.63 -1.09 -3.14 116.57 116.14 1ap6 h LYS 178 Ca 0.04 -0.35 -0.18 0.00 -0.85 0.00 0.00 60.65 59.31 1ap6 h LYS 178 Cb 0.68 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1ap6 h LYS 178 CO 0.05 0.98 -0.82 0.00 -3.45 0.00 0.00 179.45 176.21 1ap6 h ALA 179 N 1.00 0.64 0.00 5.00 0.00 -1.05 -3.29 119.26 121.56 1ap6 h ALA 179 Ca 0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1ap6 h ALA 179 Cb 0.83 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ap6 h ALA 179 CO 0.07 0.97 -0.16 0.97 0.00 0.00 0.00 179.25 181.10 1ap6 h ILE 180 N 0.03 0.80 0.00 0.00 2.10 -1.17 -2.60 117.51 116.67 1ap6 h ILE 180 Ca -0.02 -0.64 -0.00 0.00 1.08 0.00 0.00 64.86 65.28 1ap6 h ILE 180 Cb 1.43 1.38 -0.00 0.00 -1.09 0.00 0.00 36.82 38.54 1ap6 h ILE 180 CO 0.11 0.16 -0.01 -0.50 -1.08 0.00 0.00 178.15 176.83 1ap6 h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.64 -1.72 115.95 118.84 1ap6 h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ap6 h TRP 181 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1ap6 h TRP 181 CO 0.00 0.01 0.00 0.09 -3.56 0.00 0.00 178.44 174.98 1ap6 n ASN 182 N -3.48 0.12 -0.00 -3.49 5.03 -0.98 -3.67 115.26 108.79 1ap6 n ASN 182 Ca -0.03 0.51 0.00 0.00 0.87 0.00 0.00 54.58 55.93 1ap6 n ASN 182 Cb 0.09 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.31 1ap6 n ASN 182 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1ap6 n VAL 183 N -1.61 0.81 -1.99 2.41 0.24 -0.66 -2.95 118.33 114.58 1ap6 n VAL 183 Ca 0.06 -0.81 -0.42 0.00 -2.04 0.00 0.00 64.34 61.13 1ap6 n VAL 183 Cb 0.34 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 1ap6 n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ap6 s ILE 184 N -0.82 2.85 -0.94 1.34 -1.09 -1.17 0.02 121.20 121.40 1ap6 s ILE 184 Ca 0.00 0.58 -0.19 0.00 -2.23 0.00 0.00 60.65 58.80 1ap6 s ILE 184 Cb 0.00 -3.37 0.12 0.00 -1.58 0.00 0.00 42.46 37.63 1ap6 s ILE 184 CO 0.00 0.04 1.16 0.21 -1.23 0.00 0.00 174.94 175.12 1ap6 s ASN 185 N 1.31 6.60 0.54 3.58 3.84 0.19 -0.76 114.94 130.24 1ap6 s ASN 185 Ca 0.69 -1.95 0.31 0.00 0.21 0.00 0.00 52.86 52.12 1ap6 s ASN 185 Cb -0.41 -2.42 1.49 0.00 -0.55 0.00 0.00 41.25 39.35 1ap6 s ASN 185 CO 0.31 -1.13 2.05 -0.50 -2.79 0.00 0.00 177.10 175.05 1ap6 h TRP 186 N 8.97 0.00 -0.58 0.43 4.06 -1.86 -1.91 115.95 125.05 1ap6 h TRP 186 Ca 0.15 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.00 1ap6 h TRP 186 Cb 1.02 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 1ap6 h TRP 186 CO 1.18 0.09 -0.04 0.93 -3.56 0.00 0.00 178.44 177.03 1ap6 h GLU 187 N 0.00 1.06 -0.09 0.49 3.07 -1.97 -0.59 114.58 116.56 1ap6 h GLU 187 Ca -0.00 -0.36 -0.08 0.00 -0.50 0.00 0.00 59.36 58.42 1ap6 h GLU 187 Cb 0.40 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1ap6 h GLU 187 CO 0.01 1.06 -0.26 -0.97 -1.40 0.00 0.00 179.01 177.45 1ap6 h ASN 188 N 0.96 0.38 -1.00 1.42 -0.73 -1.70 -1.74 115.58 113.16 1ap6 h ASN 188 Ca 0.16 -0.60 0.04 0.00 1.87 0.00 0.00 56.30 57.76 1ap6 h ASN 188 Cb 0.61 -0.11 -0.06 0.00 0.27 0.00 0.00 38.32 39.03 1ap6 h ASN 188 CO 0.04 0.91 0.66 0.58 -0.37 0.00 0.00 177.43 179.25 1ap6 h VAL 189 N -0.14 1.17 -0.48 2.57 2.07 -1.33 -0.29 116.25 119.82 1ap6 h VAL 189 Ca -0.01 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1ap6 h VAL 189 Cb 0.88 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1ap6 h VAL 189 CO 0.06 0.23 0.09 0.74 0.02 0.00 0.00 177.57 178.71 1ap6 h THR 190 N 1.27 1.25 -0.44 2.57 2.02 -1.10 -1.03 112.91 117.45 1ap6 h THR 190 Ca 0.40 -0.90 0.05 0.00 0.77 0.00 0.00 66.41 66.73 1ap6 h THR 190 Cb 0.00 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1ap6 h THR 190 CO -0.13 0.32 0.18 -0.08 0.37 0.00 0.00 175.52 176.19 1ap6 h GLU 191 N 0.67 0.36 -0.40 6.66 4.81 -0.36 0.13 114.58 126.46 1ap6 h GLU 191 Ca 0.15 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1ap6 h GLU 191 Cb 0.38 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1ap6 h GLU 191 CO 0.01 0.24 -0.13 0.00 -0.73 0.00 0.00 179.01 178.40 1ap6 h ARG 192 N 0.37 0.71 0.15 1.92 3.08 -0.90 -2.69 114.38 117.02 1ap6 h ARG 192 Ca 0.20 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ap6 h ARG 192 Cb 0.16 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ap6 h ARG 192 CO -0.18 0.81 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.55 1ap6 h TYR 193 N 0.65 -0.18 -0.19 3.04 3.20 -0.21 -2.92 116.97 120.35 1ap6 h TYR 193 Ca 0.11 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1ap6 h TYR 193 Cb 0.59 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1ap6 h TYR 193 CO 0.03 0.06 0.14 0.52 -1.64 0.00 0.00 178.16 177.27 1ap6 h MET 194 N -0.40 0.00 0.00 1.82 2.86 -0.71 -2.24 114.93 116.26 1ap6 h MET 194 Ca -0.02 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1ap6 h MET 194 Cb 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1ap6 h MET 194 CO 0.03 0.00 -0.36 0.00 1.06 0.00 0.00 176.91 177.65 1ap6 h ALA 195 N 1.89 1.26 -0.00 6.32 0.00 -1.28 -3.24 119.26 124.20 1ap6 h ALA 195 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ap6 h ALA 195 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ap6 h ALA 195 CO -0.00 0.45 -0.70 0.00 0.00 0.00 0.00 179.25 179.00 1ap6 n LYS 197 N -1.09 2.23 0.00 0.00 0.00 -1.08 -5.00 118.16 113.22 1ap6 n LYS 197 Ca 0.04 -2.13 0.03 0.00 0.00 0.00 0.00 58.31 56.25 1ap6 n LYS 197 Cb 0.29 -1.99 0.02 0.00 0.00 0.00 0.00 35.03 33.36 1ap6 n LYS 197 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76