#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 3.49 0.18 2.13 3.76 -1.26 -5.10 115.29 118.49 1ap6 s HIS 2 Ca 0.00 0.87 0.08 0.00 -0.15 0.00 0.00 55.06 55.86 1ap6 s HIS 2 Cb 0.00 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 1ap6 s HIS 2 CO 0.00 0.35 -0.16 -1.12 -0.85 0.00 0.00 174.74 172.96 1ap6 s SER 3 N -2.15 2.56 -0.33 1.40 0.01 -1.26 -4.92 113.70 109.02 1ap6 s SER 3 Ca 0.43 -0.92 -0.29 0.00 1.31 0.00 0.00 55.95 56.48 1ap6 s SER 3 Cb -0.12 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 65.97 1ap6 s SER 3 CO 0.21 -0.10 1.28 -0.22 0.41 0.00 0.00 173.24 174.82 1ap6 s LEU 4 N -2.89 3.83 0.53 2.44 2.96 -1.26 -4.99 118.68 119.31 1ap6 s LEU 4 Ca 0.17 1.10 -0.20 0.00 -0.22 0.00 0.00 54.13 54.99 1ap6 s LEU 4 Cb -0.04 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.05 1ap6 s LEU 4 CO 0.06 -1.11 1.13 -2.16 -1.32 0.00 0.00 176.35 172.94 1ap6 s PRO 5 N 4.23 3.41 0.44 0.98 0.04 -1.26 -5.00 135.00 137.84 1ap6 s PRO 5 Ca 0.55 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.98 1ap6 s PRO 5 Cb -0.15 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1ap6 s PRO 5 CO 0.24 -0.80 1.00 -0.51 0.04 0.00 0.00 177.00 176.97 1ap6 s ASP 6 N -1.76 6.70 0.31 6.66 1.01 -1.26 -5.02 116.67 123.31 1ap6 s ASP 6 Ca 0.72 1.85 -0.28 0.00 0.71 0.00 0.00 52.55 55.54 1ap6 s ASP 6 Cb -0.24 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.04 1ap6 s ASP 6 CO 0.27 -0.53 1.11 -0.22 0.21 0.00 0.00 175.17 176.01 1ap6 s LEU 7 N -3.15 4.45 0.00 1.23 2.96 -1.26 -4.91 118.68 118.01 1ap6 s LEU 7 Ca 0.63 2.27 0.19 0.00 -0.22 0.00 0.00 54.13 57.00 1ap6 s LEU 7 Cb -0.15 -3.75 1.11 0.00 0.50 0.00 0.00 46.19 43.91 1ap6 s LEU 7 CO 0.19 -0.27 1.51 -2.65 -1.32 0.00 0.00 176.35 173.81 1ap6 n PRO 8 N 0.87 0.64 -3.91 0.98 -0.02 -1.26 -4.81 135.00 127.49 1ap6 n PRO 8 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 1ap6 n PRO 8 Cb 0.45 -1.45 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 1ap6 n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ap6 s TYR 9 N -2.00 0.15 0.60 6.00 -0.85 -1.26 -5.08 117.35 114.90 1ap6 s TYR 9 Ca 0.28 -0.61 -0.16 0.00 -0.52 0.00 0.00 57.07 56.06 1ap6 s TYR 9 Cb 0.13 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 1ap6 s TYR 9 CO 0.21 -1.24 1.08 0.34 -1.52 0.00 0.00 175.55 174.43 1ap6 s ASP 10 N -3.01 5.60 0.59 -0.18 2.15 -1.26 -4.93 116.67 115.62 1ap6 s ASP 10 Ca 0.17 1.94 0.29 0.00 0.43 0.00 0.00 52.55 55.38 1ap6 s ASP 10 Cb -0.04 -2.55 1.66 0.00 -0.30 0.00 0.00 42.92 41.70 1ap6 s ASP 10 CO 0.10 -1.30 2.11 1.88 -0.17 0.00 0.00 175.17 177.79 1ap6 h TYR 11 N 0.51 0.00 -0.58 -5.34 0.05 -1.95 -1.83 116.97 107.84 1ap6 h TYR 11 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1ap6 h TYR 11 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 1ap6 h TYR 11 CO 0.56 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.08 1ap6 n GLY 12 N -1.40 2.11 0.21 3.88 0.00 -1.26 -3.89 105.19 104.85 1ap6 n GLY 12 Ca 0.01 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 4.43 1.18 -0.23 4.61 0.00 -1.69 -3.03 119.26 124.53 1ap6 h ALA 13 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ap6 h ALA 13 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ap6 h ALA 13 CO 0.00 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.88 1ap6 n LEU 14 N -3.69 1.74 -4.77 0.00 4.77 -1.26 -4.49 117.00 109.30 1ap6 n LEU 14 Ca -0.01 -0.78 -0.37 0.00 -0.03 0.00 0.00 56.01 54.81 1ap6 n LEU 14 Cb 0.39 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1ap6 n LEU 14 CO 0.35 0.39 0.86 -1.61 -1.33 0.00 0.00 177.39 176.05 1ap6 s GLU 15 N -1.70 3.56 0.00 3.23 0.41 -1.15 -1.46 118.70 121.59 1ap6 s GLU 15 Ca 0.29 1.87 0.14 0.00 -0.41 0.00 0.00 54.97 56.87 1ap6 s GLU 15 Cb 0.16 -2.33 0.41 0.00 -1.78 0.00 0.00 34.13 30.59 1ap6 s GLU 15 CO 0.23 -0.75 1.33 -0.35 -0.49 0.00 0.00 175.26 175.24 1ap6 n PRO 16 N -0.71 1.93 -0.04 0.39 -0.04 -1.26 -4.90 135.00 130.37 1ap6 n PRO 16 Ca 0.09 -1.44 -0.12 0.00 -0.04 0.00 0.00 63.50 61.98 1ap6 n PRO 16 Cb 0.48 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.41 0.27 -3.28 0.54 3.86 -1.60 -3.40 115.15 113.95 1ap6 h HIS 17 Ca 0.00 -0.05 -0.50 0.00 -1.16 0.00 0.00 60.37 58.65 1ap6 h HIS 17 Cb 0.55 -0.07 -0.38 0.00 1.06 0.00 0.00 27.41 28.57 1ap6 h HIS 17 CO 0.25 0.51 -0.78 0.42 0.86 0.00 0.00 177.93 179.20 1ap6 s ILE 18 N -4.81 0.69 0.69 2.45 1.01 -0.88 -4.81 121.20 115.54 1ap6 s ILE 18 Ca -0.14 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 1ap6 s ILE 18 Cb 0.05 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.59 1ap6 s ILE 18 CO 0.71 0.09 1.10 0.54 0.00 0.00 0.00 174.94 177.38 1ap6 s ASN 19 N 1.82 4.95 0.48 3.58 2.20 -1.26 -3.43 114.94 123.28 1ap6 s ASN 19 Ca 0.02 1.92 0.23 0.00 -0.94 0.00 0.00 52.86 54.09 1ap6 s ASN 19 Cb -0.15 -2.54 1.26 0.00 -2.00 0.00 0.00 41.25 37.82 1ap6 s ASN 19 CO -0.07 -1.73 1.91 0.00 -2.94 0.00 0.00 177.10 174.26 1ap6 h ALA 20 N -0.35 2.43 -0.37 3.54 0.00 -1.89 -2.27 119.26 120.36 1ap6 h ALA 20 Ca -0.46 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1ap6 h ALA 20 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ap6 h ALA 20 CO 0.53 -0.67 -0.09 0.37 0.00 0.00 0.00 179.25 179.40 1ap6 h GLN 21 N 0.20 0.72 -0.34 0.00 4.15 -1.92 -0.99 115.11 116.93 1ap6 h GLN 21 Ca 0.39 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.49 1ap6 h GLN 21 Cb 1.23 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1ap6 h GLN 21 CO -0.08 0.86 0.02 0.82 -1.93 0.00 0.00 178.83 178.53 1ap6 h ILE 22 N 0.52 1.25 -0.98 2.39 2.04 -1.80 -1.29 117.51 119.63 1ap6 h ILE 22 Ca 0.10 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1ap6 h ILE 22 Cb 0.60 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1ap6 h ILE 22 CO 0.04 0.30 0.63 0.24 0.00 0.00 0.00 178.15 179.36 1ap6 h MET 23 N 0.41 1.31 0.00 2.37 2.86 -1.40 0.30 114.93 120.79 1ap6 h MET 23 Ca 0.10 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1ap6 h MET 23 Cb 0.41 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1ap6 h MET 23 CO 0.01 0.89 -0.00 0.37 1.06 0.00 0.00 176.91 179.24 1ap6 h GLN 24 N 1.34 -0.00 -0.25 1.72 4.15 -1.00 -2.30 115.11 118.77 1ap6 h GLN 24 Ca 0.36 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.77 1ap6 h GLN 24 Cb -0.12 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1ap6 h GLN 24 CO -0.07 0.44 0.11 -0.07 -1.93 0.00 0.00 178.83 177.31 1ap6 h LEU 25 N -0.45 0.33 -0.47 -2.39 3.38 -1.07 0.62 115.31 115.25 1ap6 h LEU 25 Ca -0.00 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1ap6 h LEU 25 Cb 0.45 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1ap6 h LEU 25 CO 0.00 0.38 0.24 -0.74 0.09 0.00 0.00 178.44 178.41 1ap6 h HIS 26 N 0.26 0.44 0.00 1.13 2.76 -0.47 -0.53 115.15 118.74 1ap6 h HIS 26 Ca 0.08 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1ap6 h HIS 26 Cb 0.14 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1ap6 h HIS 26 CO -0.02 0.22 -0.07 1.25 -1.30 0.00 0.00 177.93 178.02 1ap6 h HIS 27 N 0.48 0.00 0.00 5.26 -0.00 -1.36 -1.68 115.15 117.84 1ap6 h HIS 27 Ca 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1ap6 h HIS 27 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1ap6 h HIS 27 CO -0.10 0.00 -0.25 0.66 -0.00 0.00 0.00 177.93 178.24 1ap6 h SER 28 N -0.97 0.00 0.00 3.26 4.64 -0.97 -2.90 113.55 116.60 1ap6 h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ap6 h SER 28 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1ap6 h SER 28 CO 0.00 0.25 -0.52 0.29 -0.87 0.00 0.00 176.83 175.99 1ap6 n LYS 29 N -3.80 0.27 0.28 4.77 4.76 -0.29 -4.36 118.16 119.80 1ap6 n LYS 29 Ca -0.01 0.11 -0.16 0.00 -2.87 0.00 0.00 58.31 55.37 1ap6 n LYS 29 Cb 0.35 -0.94 -0.08 0.00 -1.84 0.00 0.00 35.03 32.51 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 -0.52 -0.64 -0.58 2.13 3.86 -1.29 -2.62 115.15 115.49 1ap6 h HIS 30 Ca 0.00 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1ap6 h HIS 30 Cb 0.52 0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 1ap6 h HIS 30 CO -0.22 -0.36 0.17 1.25 0.86 0.00 0.00 177.93 179.63 1ap6 h HIS 31 N -0.76 0.95 -0.85 2.45 -0.00 -1.27 -2.79 115.15 112.88 1ap6 h HIS 31 Ca -0.07 -0.10 0.06 0.00 -0.00 0.00 0.00 60.37 60.26 1ap6 h HIS 31 Cb 0.56 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.64 1ap6 h HIS 31 CO -0.03 0.79 0.53 0.00 -0.00 0.00 0.00 177.93 179.23 1ap6 h ALA 32 N 1.05 1.17 -0.74 5.26 0.00 -1.52 -1.64 119.26 122.83 1ap6 h ALA 32 Ca 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ap6 h ALA 32 Cb 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ap6 h ALA 32 CO -0.00 0.27 0.28 0.00 0.00 0.00 0.00 179.25 179.79 1ap6 h ALA 33 N 1.40 1.10 -0.00 0.00 0.00 -1.30 -2.45 119.26 118.01 1ap6 h ALA 33 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ap6 h ALA 33 Cb 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ap6 h ALA 33 CO -0.17 0.63 -0.02 0.74 0.00 0.00 0.00 179.25 180.43 1ap6 h PHE 34 N 1.07 -0.05 -0.56 0.00 0.04 -1.04 -0.34 116.94 116.06 1ap6 h PHE 34 Ca 0.24 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.95 1ap6 h PHE 34 Cb 0.23 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1ap6 h PHE 34 CO 0.02 -0.03 0.08 -0.39 -0.60 0.00 0.00 178.31 177.39 1ap6 h VAL 35 N -0.03 1.26 -0.11 -0.55 -1.51 -1.38 0.13 116.25 114.05 1ap6 h VAL 35 Ca 0.01 -0.99 0.01 0.00 -1.23 0.00 0.00 66.70 64.50 1ap6 h VAL 35 Cb 0.04 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1ap6 h VAL 35 CO -0.02 0.36 0.05 0.78 -1.23 0.00 0.00 177.57 177.51 1ap6 h ASN 36 N 0.83 0.08 0.42 4.19 2.35 -1.33 -0.39 115.58 121.72 1ap6 h ASN 36 Ca 0.17 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1ap6 h ASN 36 Cb 0.43 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1ap6 h ASN 36 CO 0.01 0.06 -0.37 0.78 -1.65 0.00 0.00 177.43 176.27 1ap6 h ASN 37 N 0.12 0.00 -0.26 5.81 -0.26 -0.93 -2.02 115.58 118.04 1ap6 h ASN 37 Ca 0.05 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.73 1ap6 h ASN 37 Cb 0.01 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1ap6 h ASN 37 CO -0.03 0.37 -0.07 0.25 -1.06 0.00 0.00 177.43 176.89 1ap6 h LEU 38 N 0.00 0.51 -0.92 1.61 5.85 -0.20 0.82 115.31 122.99 1ap6 h LEU 38 Ca -0.00 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1ap6 h LEU 38 Cb 0.67 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1ap6 h LEU 38 CO 0.05 0.76 0.12 0.78 -0.34 0.00 0.00 178.44 179.80 1ap6 h ASN 39 N 0.25 0.86 -0.41 1.25 2.35 -0.85 0.13 115.58 119.16 1ap6 h ASN 39 Ca 0.07 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 1ap6 h ASN 39 Cb 0.54 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1ap6 h ASN 39 CO 0.03 0.85 0.03 0.58 -1.65 0.00 0.00 177.43 177.28 1ap6 h VAL 40 N 0.87 1.25 -0.52 2.81 2.07 -1.23 -2.54 116.25 118.95 1ap6 h VAL 40 Ca 0.18 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 1ap6 h VAL 40 Cb 0.35 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1ap6 h VAL 40 CO 0.00 0.32 -0.15 0.74 0.02 0.00 0.00 177.57 178.51 1ap6 h THR 41 N 0.53 1.27 -0.38 2.57 2.02 -0.38 -2.82 112.91 115.72 1ap6 h THR 41 Ca 0.12 -1.31 -0.07 0.00 0.77 0.00 0.00 66.41 65.92 1ap6 h THR 41 Cb 0.42 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1ap6 h THR 41 CO 0.01 0.46 -0.05 -0.33 0.37 0.00 0.00 175.52 175.99 1ap6 h GLU 42 N 0.90 0.63 -0.41 6.66 5.08 -0.69 -1.27 114.58 125.47 1ap6 h GLU 42 Ca 0.13 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1ap6 h GLU 42 Cb 0.72 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ap6 h GLU 42 CO 0.06 0.68 -0.07 1.49 -1.00 0.00 0.00 179.01 180.17 1ap6 h GLU 43 N 0.59 0.77 -0.57 2.33 4.81 -1.37 -1.61 114.58 119.53 1ap6 h GLU 43 Ca 0.11 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1ap6 h GLU 43 Cb 0.45 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1ap6 h GLU 43 CO 0.02 0.89 0.37 0.87 -0.73 0.00 0.00 179.01 180.43 1ap6 h LYS 44 N 0.60 0.73 -0.51 1.92 1.57 -1.26 -2.10 116.57 117.51 1ap6 h LYS 44 Ca 0.11 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1ap6 h LYS 44 Cb 0.58 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1ap6 h LYS 44 CO 0.03 0.48 0.17 -0.92 -0.57 0.00 0.00 179.45 178.65 1ap6 h TYR 45 N 0.75 0.76 -0.26 -1.35 5.03 -1.02 -1.12 116.97 119.77 1ap6 h TYR 45 Ca 0.22 -0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.42 1ap6 h TYR 45 Cb -0.06 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 37.97 1ap6 h TYR 45 CO -0.04 0.62 -0.11 0.37 -1.32 0.00 0.00 178.16 177.68 1ap6 h GLN 46 N 0.74 0.42 -0.16 1.82 5.75 -0.74 0.12 115.11 123.07 1ap6 h GLN 46 Ca 0.17 -0.11 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1ap6 h GLN 46 Cb 0.20 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1ap6 h GLN 46 CO -0.01 0.54 -0.12 0.93 -2.65 0.00 0.00 178.83 177.51 1ap6 h GLU 47 N 0.40 0.36 -0.37 1.69 5.08 -0.64 -2.38 114.58 118.71 1ap6 h GLU 47 Ca 0.08 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1ap6 h GLU 47 Cb 0.43 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1ap6 h GLU 47 CO 0.02 0.71 0.16 0.00 -1.00 0.00 0.00 179.01 178.91 1ap6 h ALA 48 N 0.64 0.47 -0.61 3.43 0.00 -0.88 -2.77 119.26 119.55 1ap6 h ALA 48 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ap6 h ALA 48 Cb 0.63 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ap6 h ALA 48 CO 0.03 0.06 0.31 1.25 0.00 0.00 0.00 179.25 180.90 1ap6 h LEU 49 N 0.45 0.78 -1.21 0.00 5.85 -0.80 -0.48 115.31 119.89 1ap6 h LEU 49 Ca 0.12 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1ap6 h LEU 49 Cb 0.15 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1ap6 h LEU 49 CO -0.01 0.67 -0.05 0.00 -0.34 0.00 0.00 178.44 178.71 1ap6 h ALA 50 N 1.14 1.35 0.00 1.25 0.00 -1.35 -2.18 119.26 119.47 1ap6 h ALA 50 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ap6 h ALA 50 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ap6 h ALA 50 CO -0.03 0.44 -0.18 1.63 0.00 0.00 0.00 179.25 181.12 1ap6 n LYS 51 N -4.26 0.15 -1.88 0.00 5.02 -1.05 -4.91 118.16 111.22 1ap6 n LYS 51 Ca 0.01 0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 1ap6 n LYS 51 Cb 0.27 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.40 0.34 3.51 0.72 0.00 -0.64 -4.94 105.19 105.58 1ap6 n GLY 52 Ca 0.06 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.70 6.34 0.28 1.61 -1.08 -0.28 -4.87 116.67 115.97 1ap6 s ASP 53 Ca 0.00 -1.16 0.06 0.00 -0.52 0.00 0.00 52.55 50.93 1ap6 s ASP 53 Cb 0.00 -2.49 0.40 0.00 -1.46 0.00 0.00 42.92 39.36 1ap6 s ASP 53 CO 0.00 -1.50 1.66 0.58 0.52 0.00 0.00 175.17 176.43 1ap6 h VAL 54 N 6.18 1.34 -0.16 1.11 2.07 -1.92 -2.73 116.25 122.13 1ap6 h VAL 54 Ca -0.07 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 1ap6 h VAL 54 Cb 1.04 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1ap6 h VAL 54 CO 1.26 0.49 0.07 0.74 0.02 0.00 0.00 177.57 180.15 1ap6 h THR 55 N 0.19 1.15 -0.75 2.57 2.02 -1.97 -1.11 112.91 115.01 1ap6 h THR 55 Ca 0.01 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1ap6 h THR 55 Cb 0.90 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1ap6 h THR 55 CO 0.07 0.14 0.41 0.00 0.37 0.00 0.00 175.52 176.51 1ap6 h ALA 56 N 0.91 0.96 -0.55 6.16 0.00 -1.94 -0.25 119.26 124.56 1ap6 h ALA 56 Ca 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ap6 h ALA 56 Cb 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1ap6 h ALA 56 CO -0.01 0.47 0.35 1.96 0.00 0.00 0.00 179.25 182.03 1ap6 h GLN 57 N 1.03 0.69 -0.27 0.00 4.20 -1.26 -0.96 115.11 118.54 1ap6 h GLN 57 Ca 0.26 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.75 1ap6 h GLN 57 Cb 0.03 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1ap6 h GLN 57 CO -0.04 0.46 -0.54 0.82 -0.67 0.00 0.00 178.83 178.86 1ap6 h ILE 58 N 0.72 1.29 -0.41 2.54 2.04 -0.86 -2.98 117.51 119.84 1ap6 h ILE 58 Ca 0.21 -1.73 -0.04 0.00 1.00 0.00 0.00 64.86 64.29 1ap6 h ILE 58 Cb -0.05 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1ap6 h ILE 58 CO -0.06 0.56 0.08 0.00 0.00 0.00 0.00 178.15 178.73 1ap6 h ALA 59 N 0.77 1.37 0.00 1.87 0.00 -0.80 -2.38 119.26 120.09 1ap6 h ALA 59 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ap6 h ALA 59 Cb 1.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ap6 h ALA 59 CO 0.12 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1ap6 n LEU 60 N -4.30 0.47 -0.20 0.00 4.32 -0.39 -4.25 117.00 112.64 1ap6 n LEU 60 Ca 0.02 0.57 0.01 0.00 -0.02 0.00 0.00 56.01 56.59 1ap6 n LEU 60 Cb 0.21 -0.45 0.11 0.00 -1.62 0.00 0.00 43.42 41.68 1ap6 n LEU 60 CO 0.39 -0.23 0.96 1.56 -1.22 0.00 0.00 177.39 178.85 1ap6 h GLN 61 N 0.00 0.34 -0.55 3.23 4.20 -1.27 -2.55 115.11 118.51 1ap6 h GLN 61 Ca 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1ap6 h GLN 61 Cb 0.53 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1ap6 h GLN 61 CO 0.00 0.23 0.25 -1.35 -0.67 0.00 0.00 178.83 177.29 1ap6 h PRO 62 N 0.35 0.80 -0.57 1.46 0.11 -1.80 -1.35 132.00 131.01 1ap6 h PRO 62 Ca 0.32 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 1ap6 h PRO 62 Cb 0.43 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 1ap6 h PRO 62 CO -0.35 0.67 0.17 0.00 -0.21 0.00 0.00 178.00 178.29 1ap6 h ALA 63 N 1.09 1.24 -0.14 -0.75 0.00 -1.79 0.26 119.26 119.17 1ap6 h ALA 63 Ca 0.19 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1ap6 h ALA 63 Cb 0.15 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ap6 h ALA 63 CO -0.02 0.54 -0.77 1.25 0.00 0.00 0.00 179.25 180.25 1ap6 h LEU 64 N 0.83 0.92 -0.23 0.00 6.46 -1.28 -0.56 115.31 121.45 1ap6 h LEU 64 Ca 0.19 -0.64 -0.04 0.00 -0.12 0.00 0.00 57.88 57.27 1ap6 h LEU 64 Cb 0.25 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1ap6 h LEU 64 CO -0.01 1.41 0.00 0.50 -0.62 0.00 0.00 178.44 179.73 1ap6 h LYS 65 N 0.49 0.40 0.11 1.25 3.64 -1.08 0.59 116.57 121.98 1ap6 h LYS 65 Ca -0.06 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1ap6 h LYS 65 Cb 1.40 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1ap6 h LYS 65 CO 0.16 0.58 -0.05 0.35 -2.27 0.00 0.00 179.45 178.22 1ap6 h PHE 66 N 0.17 -0.14 0.09 1.91 3.57 -0.97 0.30 116.94 121.87 1ap6 h PHE 66 Ca 0.07 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.29 1ap6 h PHE 66 Cb 0.40 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.20 1ap6 h PHE 66 CO 0.03 0.04 -1.16 -0.91 -2.23 0.00 0.00 178.31 174.09 1ap6 h ASN 67 N -0.30 0.65 -0.35 0.41 4.21 -1.13 -0.01 115.58 119.06 1ap6 h ASN 67 Ca -0.02 -0.60 -0.14 0.00 1.21 0.00 0.00 56.30 56.76 1ap6 h ASN 67 Cb 0.25 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 1ap6 h ASN 67 CO 0.03 1.42 -0.31 1.23 -1.29 0.00 0.00 177.43 178.51 1ap6 h GLY 68 N 0.94 0.90 1.00 2.83 0.00 0.14 -1.80 103.07 107.08 1ap6 h GLY 68 Ca -0.14 -0.90 -0.07 0.00 0.00 0.00 0.00 47.33 46.21 1ap6 h GLY 68 CO 0.21 0.82 0.03 -1.33 0.00 0.00 0.00 176.54 176.26 1ap6 h GLY 69 N 0.62 0.91 0.50 4.60 0.00 -0.45 -1.92 103.07 107.34 1ap6 h GLY 69 Ca 0.06 -0.65 0.09 0.00 0.00 0.00 0.00 47.33 46.83 1ap6 h GLY 69 CO 0.08 0.60 0.35 -1.33 0.00 0.00 0.00 176.54 176.24 1ap6 h GLY 70 N 0.71 1.04 0.68 4.60 0.00 -0.79 0.25 103.07 109.56 1ap6 h GLY 70 Ca 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ap6 h GLY 70 CO 0.02 0.07 -0.00 0.84 0.00 0.00 0.00 176.54 177.47 1ap6 h HIS 71 N 0.60 -0.00 0.27 5.60 6.17 -1.16 -2.42 115.15 124.21 1ap6 h HIS 71 Ca 0.34 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.41 1ap6 h HIS 71 Cb 0.34 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.26 1ap6 h HIS 71 CO -0.11 0.32 -0.17 0.82 0.71 0.00 0.00 177.93 179.50 1ap6 h ILE 72 N -0.33 0.65 -0.26 6.26 2.04 -0.87 -1.61 117.51 123.39 1ap6 h ILE 72 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1ap6 h ILE 72 Cb 0.32 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1ap6 h ILE 72 CO 0.00 0.00 0.05 0.78 0.00 0.00 0.00 178.15 178.99 1ap6 h ASN 73 N -0.42 0.02 0.05 1.72 2.35 -0.58 -2.56 115.58 116.16 1ap6 h ASN 73 Ca -0.03 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1ap6 h ASN 73 Cb 0.35 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1ap6 h ASN 73 CO 0.03 0.04 -0.35 0.45 -1.65 0.00 0.00 177.43 175.95 1ap6 h HIS 74 N 0.15 0.49 -0.80 1.19 3.86 -1.41 -1.86 115.15 116.78 1ap6 h HIS 74 Ca 0.12 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1ap6 h HIS 74 Cb 0.12 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1ap6 h HIS 74 CO -0.16 0.72 0.37 0.77 0.86 0.00 0.00 177.93 180.50 1ap6 h SER 75 N 0.36 1.05 -0.21 2.45 0.02 -1.06 -1.80 113.55 114.36 1ap6 h SER 75 Ca 0.04 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 1ap6 h SER 75 Cb 0.79 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1ap6 h SER 75 CO 0.06 0.90 -0.30 0.40 -1.14 0.00 0.00 176.83 176.76 1ap6 h ILE 76 N 1.13 1.33 -0.61 3.27 2.04 -1.37 -3.27 117.51 120.03 1ap6 h ILE 76 Ca 0.27 -1.50 0.10 0.00 1.00 0.00 0.00 64.86 64.73 1ap6 h ILE 76 Cb 0.14 1.80 -0.08 0.00 -0.74 0.00 0.00 36.82 37.94 1ap6 h ILE 76 CO -0.03 0.46 0.20 0.15 0.00 0.00 0.00 178.15 178.93 1ap6 h PHE 77 N 0.25 0.35 -0.56 1.37 3.57 -0.84 -1.55 116.94 119.52 1ap6 h PHE 77 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1ap6 h PHE 77 Cb 0.87 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1ap6 h PHE 77 CO 0.08 0.06 0.24 -1.49 -2.23 0.00 0.00 178.31 174.98 1ap6 h TRP 78 N 0.37 0.80 0.00 0.41 -0.00 -1.41 -2.03 115.95 114.09 1ap6 h TRP 78 Ca 0.31 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.13 1ap6 h TRP 78 Cb 0.41 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 29.32 1ap6 h TRP 78 CO -0.19 0.61 -0.17 1.79 -0.00 0.00 0.00 178.44 180.48 1ap6 h THR 79 N 0.80 0.34 0.00 1.49 1.35 -1.37 -3.11 112.91 112.42 1ap6 h THR 79 Ca 0.19 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1ap6 h THR 79 Cb 0.13 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1ap6 h THR 79 CO -0.02 0.17 0.00 0.59 -0.25 0.00 0.00 175.52 176.00 1ap6 n ASN 80 N -3.21 0.44 -4.65 5.36 5.03 -0.68 -4.73 115.26 112.82 1ap6 n ASN 80 Ca 0.02 0.55 -0.30 0.00 0.87 0.00 0.00 54.58 55.72 1ap6 n ASN 80 Cb 0.50 -0.67 -0.09 0.00 -1.02 0.00 0.00 39.78 38.50 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 -3.85 3.34 -0.23 3.41 1.43 -1.14 0.29 118.68 121.92 1ap6 s LEU 81 Ca 0.11 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 52.73 1ap6 s LEU 81 Cb 0.14 -2.07 0.08 0.00 0.03 0.00 0.00 46.19 44.37 1ap6 s LEU 81 CO 0.52 0.19 0.75 -0.55 0.23 0.00 0.00 176.35 177.49 1ap6 s SER 82 N -2.19 -0.70 0.46 2.29 0.15 0.70 -4.66 113.70 109.76 1ap6 s SER 82 Ca 0.24 1.25 0.31 0.00 0.70 0.00 0.00 55.95 58.45 1ap6 s SER 82 Cb -0.11 1.23 1.41 0.00 -1.71 0.00 0.00 66.02 66.84 1ap6 s SER 82 CO 0.16 -0.30 1.94 1.55 1.20 0.00 0.00 173.24 177.79 1ap6 h PRO 83 N 4.54 0.00 -0.44 5.44 0.13 -1.84 -2.18 132.00 137.64 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 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ap6 h PRO 83 CO 0.12 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.98 1ap6 n ASN 84 N -2.76 4.33 -1.81 1.44 3.02 -1.26 -4.97 115.26 113.24 1ap6 n ASN 84 Ca 0.00 -2.68 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 1ap6 n ASN 84 Cb 0.22 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1ap6 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ap6 n GLY 85 N 0.32 0.42 0.79 7.41 0.00 -0.82 -5.01 105.19 108.30 1ap6 n GLY 85 Ca 0.22 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 5.00 -2.87 7.00 -0.02 0.00 -0.03 -4.66 105.19 109.62 1ap6 n GLY 86 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.12 0.20 3.39 -0.02 0.00 -1.26 -4.82 105.19 102.56 1ap6 n GLY 87 Ca 0.00 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 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 1.43 0.87 1.61 2.02 -1.26 -5.01 118.70 118.36 1ap6 s GLU 88 Ca 0.00 -1.50 -0.12 0.00 0.02 0.00 0.00 54.97 53.36 1ap6 s GLU 88 Cb 0.00 -1.62 0.12 0.00 0.10 0.00 0.00 34.13 32.73 1ap6 s GLU 88 CO 0.00 0.34 1.16 -1.25 0.02 0.00 0.00 175.26 175.53 1ap6 s PRO 89 N -2.82 1.44 0.28 0.39 0.04 -1.26 -5.02 135.00 128.06 1ap6 s PRO 89 Ca 0.20 0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.44 1ap6 s PRO 89 Cb -0.07 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1ap6 s PRO 89 CO 0.09 -1.97 0.14 -1.59 0.04 0.00 0.00 177.00 173.71 1ap6 s LYS 90 N -5.43 1.50 5.04 4.56 0.00 -1.26 -4.64 119.74 119.51 1ap6 s LYS 90 Ca 0.63 -1.84 0.00 0.00 0.00 0.00 0.00 55.97 54.77 1ap6 s LYS 90 Cb -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 37.83 37.58 1ap6 s LYS 90 CO 0.51 -0.39 0.00 0.41 0.00 0.00 0.00 175.35 175.88 1ap6 n GLY 91 N -0.52 1.97 0.26 0.59 0.00 -1.26 -3.68 105.19 102.56 1ap6 n GLY 91 Ca 0.01 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 0.16 0.24 1.61 4.39 -1.98 -1.84 114.58 117.16 1ap6 h GLU 92 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1ap6 h GLU 92 Cb 0.00 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1ap6 h GLU 92 CO 0.00 0.11 -0.14 1.25 -1.16 0.00 0.00 179.01 179.07 1ap6 h LEU 93 N 0.17 -0.35 -1.19 1.33 6.46 -1.94 -0.23 115.31 119.56 1ap6 h LEU 93 Ca 0.38 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 58.21 1ap6 h LEU 93 Cb 0.64 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.62 1ap6 h LEU 93 CO -0.55 -0.23 0.56 0.25 -0.62 0.00 0.00 178.44 177.85 1ap6 h LEU 94 N -0.36 0.88 -0.22 2.25 5.85 -1.60 0.98 115.31 123.09 1ap6 h LEU 94 Ca -0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ap6 h LEU 94 Cb 0.30 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1ap6 h LEU 94 CO 0.03 0.59 0.14 -0.08 -0.34 0.00 0.00 178.44 178.78 1ap6 h GLU 95 N 1.02 0.28 -0.05 1.25 4.81 -0.91 -1.32 114.58 119.66 1ap6 h GLU 95 Ca 0.35 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1ap6 h GLU 95 Cb 0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1ap6 h GLU 95 CO -0.12 0.19 -0.57 0.00 -0.73 0.00 0.00 179.01 177.77 1ap6 h ALA 96 N 1.08 0.94 -0.46 2.92 0.00 -0.10 -2.30 119.26 121.34 1ap6 h ALA 96 Ca 0.08 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1ap6 h ALA 96 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ap6 h ALA 96 CO -0.02 0.71 -0.10 0.82 0.00 0.00 0.00 179.25 180.65 1ap6 h ILE 97 N 0.12 1.27 -0.40 0.00 2.04 -0.54 -0.22 117.51 119.78 1ap6 h ILE 97 Ca -0.00 -1.22 -0.12 0.00 1.00 0.00 0.00 64.86 64.51 1ap6 h ILE 97 Cb 1.05 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1ap6 h ILE 97 CO 0.08 0.42 -0.21 0.11 0.00 0.00 0.00 178.15 178.55 1ap6 h LYS 98 N 0.73 0.86 -0.04 2.37 1.57 -1.20 0.73 116.57 121.58 1ap6 h LYS 98 Ca 0.12 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1ap6 h LYS 98 Cb 0.65 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1ap6 h LYS 98 CO 0.04 1.02 0.03 -0.09 -0.57 0.00 0.00 179.45 179.88 1ap6 h ARG 99 N 0.67 0.06 0.00 3.15 2.43 -1.28 0.39 114.38 119.80 1ap6 h ARG 99 Ca 0.09 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1ap6 h ARG 99 Cb 0.78 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1ap6 h ARG 99 CO 0.06 0.08 -0.93 -0.44 -1.51 0.00 0.00 179.97 177.23 1ap6 h ASP 100 N 0.02 0.00 -0.00 -3.80 3.32 -1.04 -3.39 116.42 111.53 1ap6 h ASP 100 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ap6 h ASP 100 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ap6 h ASP 100 CO -0.00 0.46 -0.02 0.49 -1.72 0.00 0.00 179.24 178.46 1ap6 n PHE 101 N -3.02 0.00 0.00 4.55 3.72 0.25 -5.04 117.46 117.92 1ap6 n PHE 101 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1ap6 n PHE 101 Cb 0.75 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.76 2.92 3.84 1.37 0.00 0.13 -4.52 105.19 109.70 1ap6 n GLY 102 Ca 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 1ap6 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ap6 s SER 103 N 0.00 -0.25 0.18 1.61 1.04 -1.26 -4.72 113.70 110.30 1ap6 s SER 103 Ca 0.00 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.74 1ap6 s SER 103 Cb 0.00 0.69 0.08 0.00 0.10 0.00 0.00 66.02 66.89 1ap6 s SER 103 CO 0.00 -1.28 1.70 0.15 0.98 0.00 0.00 173.24 174.79 1ap6 h PHE 104 N 2.00 1.00 -0.68 5.02 3.57 -1.93 -1.63 116.94 124.30 1ap6 h PHE 104 Ca -0.20 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1ap6 h PHE 104 Cb 1.25 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1ap6 h PHE 104 CO 0.42 0.83 0.44 -0.44 -2.23 0.00 0.00 178.31 177.33 1ap6 h ASP 105 N 0.88 0.78 -0.53 0.41 3.32 -1.97 -0.66 116.42 118.66 1ap6 h ASP 105 Ca 0.20 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1ap6 h ASP 105 Cb 0.31 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1ap6 h ASP 105 CO -0.00 0.58 0.10 0.11 -1.72 0.00 0.00 179.24 178.30 1ap6 h LYS 106 N 0.92 0.92 -0.52 3.56 1.57 -1.80 -1.84 116.57 119.39 1ap6 h LYS 106 Ca 0.25 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1ap6 h LYS 106 Cb -0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1ap6 h LYS 106 CO -0.05 0.85 0.15 0.35 -0.57 0.00 0.00 179.45 180.17 1ap6 h PHE 107 N 0.87 0.85 -0.38 -1.35 3.57 -0.67 -1.59 116.94 118.24 1ap6 h PHE 107 Ca 0.18 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1ap6 h PHE 107 Cb 0.38 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1ap6 h PHE 107 CO 0.02 0.74 0.19 0.87 -2.23 0.00 0.00 178.31 177.90 1ap6 h LYS 108 N 0.71 0.38 -0.30 1.11 1.57 -0.84 -1.53 116.57 117.67 1ap6 h LYS 108 Ca 0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1ap6 h LYS 108 Cb 0.30 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1ap6 h LYS 108 CO -0.00 0.25 0.15 1.49 -0.57 0.00 0.00 179.45 180.77 1ap6 h GLU 109 N 0.40 0.43 -0.14 3.15 4.81 -1.17 -0.64 114.58 121.41 1ap6 h GLU 109 Ca 0.16 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1ap6 h GLU 109 Cb 0.06 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1ap6 h GLU 109 CO -0.10 0.40 0.07 0.87 -0.73 0.00 0.00 179.01 179.51 1ap6 h LYS 110 N 0.36 0.15 -0.31 1.92 1.79 -1.07 0.56 116.57 119.97 1ap6 h LYS 110 Ca 0.10 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.46 1ap6 h LYS 110 Cb 0.10 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1ap6 h LYS 110 CO -0.01 0.10 -0.23 1.25 -1.08 0.00 0.00 179.45 179.47 1ap6 h LEU 111 N 0.15 0.60 -0.16 2.94 5.85 -1.23 -1.44 115.31 122.02 1ap6 h LEU 111 Ca 0.06 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1ap6 h LEU 111 Cb 0.01 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1ap6 h LEU 111 CO -0.04 0.82 -0.04 0.74 -0.34 0.00 0.00 178.44 179.58 1ap6 h THR 112 N 0.53 1.29 -1.01 1.05 2.02 -0.92 -0.49 112.91 115.38 1ap6 h THR 112 Ca 0.08 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.28 1ap6 h THR 112 Cb 0.68 1.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.66 1ap6 h THR 112 CO 0.05 0.30 0.66 0.00 0.37 0.00 0.00 175.52 176.90 1ap6 h ALA 113 N 0.71 1.31 -0.45 6.16 0.00 -0.76 0.20 119.26 126.45 1ap6 h ALA 113 Ca 0.04 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1ap6 h ALA 113 Cb 0.48 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ap6 h ALA 113 CO 0.02 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.74 1ap6 h ALA 114 N 1.40 0.62 -0.07 0.00 0.00 -1.16 -2.01 119.26 118.04 1ap6 h ALA 114 Ca 0.39 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ap6 h ALA 114 Cb -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ap6 h ALA 114 CO -0.11 0.51 -0.11 0.77 0.00 0.00 0.00 179.25 180.31 1ap6 h SER 115 N 0.70 0.21 -0.19 0.00 0.02 -0.32 -3.18 113.55 110.80 1ap6 h SER 115 Ca 0.11 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1ap6 h SER 115 Cb 0.66 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1ap6 h SER 115 CO 0.05 0.72 0.04 0.58 -1.14 0.00 0.00 176.83 177.07 1ap6 h VAL 116 N -0.29 1.15 0.00 2.27 2.07 -0.68 -3.08 116.25 117.69 1ap6 h VAL 116 Ca 0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ap6 h VAL 116 Cb 0.68 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ap6 h VAL 116 CO 0.03 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1ap6 n GLY 117 N -1.08 -1.13 3.69 2.17 0.00 -0.75 -4.82 105.19 103.27 1ap6 n GLY 117 Ca 0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.64 3.59 -0.47 1.61 -7.23 -1.17 -4.94 120.40 109.16 1ap6 s VAL 118 Ca 0.21 1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 61.13 1ap6 s VAL 118 Cb 0.16 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.49 1ap6 s VAL 118 CO 0.38 0.00 0.91 -1.10 -0.31 0.00 0.00 175.10 174.98 1ap6 s GLN 119 N 2.34 3.49 0.00 4.82 -0.21 -1.26 -4.80 119.66 124.04 1ap6 s GLN 119 Ca 0.65 0.08 0.00 0.00 0.02 0.00 0.00 55.36 56.11 1ap6 s GLN 119 Cb -0.33 -3.94 0.00 0.00 1.00 0.00 0.00 33.01 29.74 1ap6 s GLN 119 CO 0.27 -1.24 0.00 0.41 -2.12 0.00 0.00 175.29 172.62 1ap6 n GLY 120 N 4.96 0.05 3.83 3.09 0.00 -1.26 -4.93 105.19 110.93 1ap6 n GLY 120 Ca 0.05 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 6.94 0.00 1.61 0.01 -1.26 -4.84 113.70 112.16 1ap6 s SER 121 Ca 0.00 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1ap6 s SER 121 Cb 0.00 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1ap6 s SER 121 CO 0.00 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1ap6 n GLY 122 N 1.06 -1.13 3.04 3.44 0.00 -1.26 -0.77 105.19 109.56 1ap6 n GLY 122 Ca -0.06 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 0.55 -0.13 1.61 0.52 0.60 -1.40 118.94 117.69 1ap6 s TRP 123 Ca 0.00 -0.50 -0.03 0.00 0.02 0.00 0.00 56.10 55.60 1ap6 s TRP 123 Cb 0.00 -0.34 -0.03 0.00 -1.15 0.00 0.00 33.47 31.95 1ap6 s TRP 123 CO 0.00 -0.11 -0.03 0.20 0.02 0.00 0.00 176.95 177.02 1ap6 s GLY 124 N -1.50 1.74 0.04 0.98 0.00 -0.14 -0.95 107.32 107.48 1ap6 s GLY 124 Ca -0.11 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 43.83 1ap6 s GLY 124 CO 0.00 -0.24 -0.14 -0.98 0.00 0.00 0.00 173.10 171.74 1ap6 s TRP 125 N -0.01 1.25 -0.24 1.90 0.52 0.10 -0.03 118.94 122.42 1ap6 s TRP 125 Ca 0.01 -0.35 -0.07 0.00 0.02 0.00 0.00 56.10 55.72 1ap6 s TRP 125 Cb -0.13 -0.75 -0.02 0.00 -1.15 0.00 0.00 33.47 31.42 1ap6 s TRP 125 CO 0.03 0.03 0.05 -1.17 0.02 0.00 0.00 176.95 175.90 1ap6 s LEU 126 N -1.09 3.33 0.33 2.99 2.96 0.92 -1.81 118.68 126.31 1ap6 s LEU 126 Ca 0.02 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1ap6 s LEU 126 Cb -0.08 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1ap6 s LEU 126 CO 0.01 -0.04 0.09 -0.83 -1.32 0.00 0.00 176.35 174.26 1ap6 s GLY 127 N 1.58 2.11 -0.13 7.98 0.00 0.39 -1.03 107.32 118.22 1ap6 s GLY 127 Ca 0.06 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.97 1ap6 s GLY 127 CO 0.02 -1.75 -0.16 -0.12 0.00 0.00 0.00 173.10 171.09 1ap6 s PHE 128 N -3.41 2.76 -0.54 1.90 5.36 0.10 -0.36 117.98 123.78 1ap6 s PHE 128 Ca 0.34 -0.84 -0.20 0.00 -0.96 0.00 0.00 56.93 55.27 1ap6 s PHE 128 Cb 0.07 -1.83 0.07 0.00 -0.34 0.00 0.00 43.02 40.98 1ap6 s PHE 128 CO 0.15 -0.33 0.71 1.21 -1.46 0.00 0.00 175.22 175.49 1ap6 s ASN 129 N 0.50 6.22 0.46 6.13 3.84 0.66 -1.46 114.94 131.29 1ap6 s ASN 129 Ca -0.11 -0.99 0.22 0.00 0.21 0.00 0.00 52.86 52.20 1ap6 s ASN 129 Cb -0.16 -2.32 1.10 0.00 -0.55 0.00 0.00 41.25 39.32 1ap6 s ASN 129 CO 0.05 -1.03 1.94 0.11 -2.79 0.00 0.00 177.10 175.38 1ap6 h LYS 130 N 9.12 0.00 0.11 0.43 1.57 -1.86 0.58 116.57 126.52 1ap6 h LYS 130 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1ap6 h LYS 130 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1ap6 h LYS 130 CO 1.03 0.22 -0.05 1.49 -0.57 0.00 0.00 179.45 181.57 1ap6 h GLU 131 N 0.00 -0.15 0.00 3.15 4.81 -1.95 -3.32 114.58 117.12 1ap6 h GLU 131 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ap6 h GLU 131 Cb 0.53 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1ap6 h GLU 131 CO 0.03 0.35 -0.03 0.00 -0.73 0.00 0.00 179.01 178.63 1ap6 h ARG 132 N -0.81 0.00 -0.93 1.92 2.47 -1.97 -3.48 114.38 111.59 1ap6 h ARG 132 Ca -0.02 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.57 1ap6 h ARG 132 Cb 0.56 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1ap6 h ARG 132 CO 0.03 0.00 -0.17 0.41 0.56 0.00 0.00 179.97 180.80 1ap6 n GLY 133 N 1.13 0.13 3.20 0.04 0.00 0.20 -5.04 105.19 104.84 1ap6 n GLY 133 Ca 0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.33 1.15 0.45 1.61 -3.43 -1.09 -4.96 115.29 106.68 1ap6 s HIS 134 Ca 0.00 -1.36 -0.20 0.00 -0.80 0.00 0.00 55.06 52.70 1ap6 s HIS 134 Cb 0.00 -0.56 -0.10 0.00 -1.43 0.00 0.00 32.58 30.48 1ap6 s HIS 134 CO 0.00 -0.62 0.96 -0.51 -2.00 0.00 0.00 174.74 172.57 1ap6 s LEU 135 N -3.16 3.86 -0.13 5.38 1.43 -1.26 -0.24 118.68 124.56 1ap6 s LEU 135 Ca 0.38 1.67 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 1ap6 s LEU 135 Cb 0.07 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.79 1ap6 s LEU 135 CO 0.11 -0.43 0.35 -1.58 0.23 0.00 0.00 176.35 175.02 1ap6 s GLN 136 N -3.39 0.40 -0.14 1.70 0.74 0.51 -4.85 119.66 114.62 1ap6 s GLN 136 Ca 0.62 0.49 -0.10 0.00 0.05 0.00 0.00 55.36 56.42 1ap6 s GLN 136 Cb -0.10 0.18 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 1ap6 s GLN 136 CO 0.18 -0.05 0.20 0.42 -0.55 0.00 0.00 175.29 175.48 1ap6 s ILE 137 N 0.25 5.39 0.04 -2.34 1.01 -1.26 -0.47 121.20 123.82 1ap6 s ILE 137 Ca -0.01 0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 1ap6 s ILE 137 Cb -0.03 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1ap6 s ILE 137 CO -0.00 0.52 0.05 0.00 0.00 0.00 0.00 174.94 175.50 1ap6 s ALA 138 N -0.36 0.12 -0.05 9.38 0.00 -0.75 -5.00 121.76 125.10 1ap6 s ALA 138 Ca 0.14 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.39 1ap6 s ALA 138 Cb -0.12 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1ap6 s ALA 138 CO 0.03 -0.32 -0.21 0.00 0.00 0.00 0.00 175.76 175.26 1ap6 s ALA 139 N -2.92 1.88 -0.06 0.00 0.00 -1.26 0.03 121.76 119.43 1ap6 s ALA 139 Ca -0.02 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.11 1ap6 s ALA 139 Cb 0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1ap6 s ALA 139 CO -0.06 0.34 -0.24 0.00 0.00 0.00 0.00 175.76 175.80 1ap6 s PRO 141 N -0.09 3.88 2.16 0.00 0.04 -1.26 -0.29 135.00 139.44 1ap6 s PRO 141 Ca -0.05 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1ap6 s PRO 141 Cb -0.14 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1ap6 s PRO 141 CO 0.04 -0.33 0.00 0.09 0.04 0.00 0.00 177.00 176.84 1ap6 n ASN 142 N -1.48 0.00 -0.37 6.66 3.02 0.05 -1.55 115.26 121.59 1ap6 n ASN 142 Ca 0.07 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.68 1ap6 n ASN 142 Cb 0.54 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.83 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 9.17 2.58 -1.61 3.52 1.13 -1.26 -4.25 117.38 126.65 1ap6 n GLN 143 Ca 0.00 -2.15 -0.47 0.00 -1.94 0.00 0.00 57.00 52.44 1ap6 n GLN 143 Cb 0.00 -1.35 -0.05 0.00 0.11 0.00 0.00 30.24 28.95 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 -0.43 3.23 -4.78 1.08 9.92 -0.59 -3.88 116.55 121.10 1ap6 n ASP 144 Ca 0.11 0.65 -0.36 0.00 -0.53 0.00 0.00 54.79 54.65 1ap6 n ASP 144 Cb 0.51 -1.42 -0.01 0.00 -0.64 0.00 0.00 41.12 39.56 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 5.16 3.74 0.06 -0.24 0.04 -1.26 -4.70 135.00 137.81 1ap6 s PRO 145 Ca 0.98 1.67 -0.37 0.00 0.04 0.00 0.00 61.00 63.32 1ap6 s PRO 145 Cb -0.60 -2.32 -0.20 0.00 0.04 0.00 0.00 34.50 31.42 1ap6 s PRO 145 CO 0.46 -0.54 1.56 1.25 0.04 0.00 0.00 177.00 179.77 1ap6 h LEU 146 N 1.91 -1.20 -0.07 -3.56 5.85 -1.91 -2.71 115.31 113.63 1ap6 h LEU 146 Ca -0.49 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1ap6 h LEU 146 Cb 1.24 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 1ap6 h LEU 146 CO 0.60 -0.79 0.03 -0.61 -0.34 0.00 0.00 178.44 177.34 1ap6 h GLN 147 N -1.28 0.07 -0.17 1.25 4.15 -1.87 -0.11 115.11 117.16 1ap6 h GLN 147 Ca -0.12 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1ap6 h GLN 147 Cb 1.00 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1ap6 h GLN 147 CO 0.16 0.05 0.04 0.78 -1.93 0.00 0.00 178.83 177.93 1ap6 h GLY 148 N 0.08 0.25 0.00 2.39 0.00 -1.87 0.20 103.07 104.11 1ap6 h GLY 148 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1ap6 h GLY 148 CO -0.02 0.11 -1.40 -1.30 0.00 0.00 0.00 176.54 173.93 1ap6 n THR 149 N -4.44 0.00 0.00 4.70 -2.24 -1.02 -4.70 114.28 106.58 1ap6 n THR 149 Ca -0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1ap6 n THR 149 Cb 0.14 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.83 0.00 0.00 4.28 -1.04 -0.06 -5.03 114.28 110.61 1ap6 n THR 150 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ap6 n THR 150 Cb 0.38 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 2.29 2.50 3.78 3.41 0.00 0.68 -4.99 105.19 112.85 1ap6 n GLY 151 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.22 -0.12 0.99 1.43 -1.26 -4.79 118.68 119.15 1ap6 s LEU 152 Ca 0.00 2.04 -0.24 0.00 -1.03 0.00 0.00 54.13 54.90 1ap6 s LEU 152 Cb 0.00 -4.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 1ap6 s LEU 152 CO 0.00 -0.39 0.75 -0.63 0.23 0.00 0.00 176.35 176.31 1ap6 s ILE 153 N -1.59 4.98 0.05 -0.59 -1.09 -0.53 -2.89 121.20 119.54 1ap6 s ILE 153 Ca 0.55 1.50 -0.31 0.00 -2.23 0.00 0.00 60.65 60.17 1ap6 s ILE 153 Cb -0.23 -4.07 -0.06 0.00 -1.58 0.00 0.00 42.46 36.52 1ap6 s ILE 153 CO 0.29 0.15 1.26 -2.16 -1.23 0.00 0.00 174.94 173.25 1ap6 s PRO 154 N 1.42 4.38 -0.12 2.79 0.04 -1.26 -0.73 135.00 141.53 1ap6 s PRO 154 Ca 0.37 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.20 1ap6 s PRO 154 Cb -0.17 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 1ap6 s PRO 154 CO 0.16 -0.35 -0.16 1.28 0.04 0.00 0.00 177.00 177.96 1ap6 n LEU 155 N 4.23 0.92 -3.74 -3.56 4.77 -0.19 -4.92 117.00 114.50 1ap6 n LEU 155 Ca 0.10 0.16 -0.16 0.00 -0.03 0.00 0.00 56.01 56.08 1ap6 n LEU 155 Cb 0.45 -0.38 -0.16 0.00 -2.33 0.00 0.00 43.42 41.00 1ap6 n LEU 155 CO 0.56 0.21 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.27 1ap6 s LEU 156 N -6.72 0.83 0.02 2.23 2.96 -0.88 -4.56 118.68 112.57 1ap6 s LEU 156 Ca -0.17 0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.88 1ap6 s LEU 156 Cb 0.06 -0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.66 1ap6 s LEU 156 CO 0.22 -0.16 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.00 1ap6 s GLY 157 N 1.35 1.32 -0.18 7.98 0.00 -1.26 -0.06 107.32 116.47 1ap6 s GLY 157 Ca -0.06 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.48 1ap6 s GLY 157 CO -0.03 -1.05 -0.12 -0.42 0.00 0.00 0.00 173.10 171.48 1ap6 s ILE 158 N -0.73 1.65 -0.29 0.90 1.01 0.95 -4.85 121.20 119.84 1ap6 s ILE 158 Ca 0.11 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 1ap6 s ILE 158 Cb -0.10 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1ap6 s ILE 158 CO 0.01 0.28 1.16 -0.62 0.00 0.00 0.00 174.94 175.77 1ap6 s ASP 159 N 1.42 6.86 -0.22 3.58 2.15 -1.26 -0.96 116.67 128.23 1ap6 s ASP 159 Ca 0.01 1.19 0.14 0.00 0.43 0.00 0.00 52.55 54.32 1ap6 s ASP 159 Cb -0.15 -2.54 0.58 0.00 -0.30 0.00 0.00 42.92 40.50 1ap6 s ASP 159 CO -0.09 -0.92 1.51 1.33 -0.17 0.00 0.00 175.17 176.83 1ap6 n VAL 160 N 5.89 2.46 -2.31 1.11 0.24 -0.49 -4.84 118.33 120.39 1ap6 n VAL 160 Ca 0.13 -1.97 -0.37 0.00 -2.04 0.00 0.00 64.34 60.09 1ap6 n VAL 160 Cb 0.47 -0.28 -0.02 0.00 -1.47 0.00 0.00 33.84 32.53 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 -2.93 2.97 0.40 6.34 0.52 -1.23 -4.41 118.94 120.61 1ap6 s TRP 161 Ca 0.45 1.56 0.09 0.00 0.02 0.00 0.00 56.10 58.22 1ap6 s TRP 161 Cb 0.37 -3.34 0.88 0.00 -1.15 0.00 0.00 33.47 30.23 1ap6 s TRP 161 CO 0.08 -1.33 2.01 0.93 0.02 0.00 0.00 176.95 178.66 1ap6 h GLU 162 N 2.19 0.55 0.00 4.98 5.08 -1.93 -1.25 114.58 124.21 1ap6 h GLU 162 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1ap6 h GLU 162 Cb 1.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1ap6 h GLU 162 CO 0.61 0.37 0.00 1.12 -1.00 0.00 0.00 179.01 180.10 1ap6 h HIS 163 N 0.57 0.00 0.00 4.33 2.07 -1.98 0.14 115.15 120.28 1ap6 h HIS 163 Ca 0.24 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.76 1ap6 h HIS 163 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 1ap6 h HIS 163 CO -0.00 0.00 -0.08 0.00 -3.07 0.00 0.00 177.93 174.78 1ap6 n ALA 164 N -1.92 2.46 -0.22 6.11 0.00 -0.47 -4.57 120.51 121.90 1ap6 n ALA 164 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ap6 n ALA 164 Cb 0.07 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.73 0.00 -0.19 0.00 0.18 -0.41 -4.99 117.16 110.02 1ap6 n TYR 165 Ca 0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.84 1ap6 n TYR 165 Cb 0.37 0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.43 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 0.28 -0.79 -3.48 3.20 -0.97 0.48 116.97 115.68 1ap6 h TYR 166 Ca 0.00 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.99 1ap6 h TYR 166 Cb 0.00 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1ap6 h TYR 166 CO 0.00 0.02 0.52 -0.07 -1.64 0.00 0.00 178.16 176.99 1ap6 h LEU 167 N 0.31 0.69 0.02 2.82 3.38 -1.88 0.75 115.31 121.39 1ap6 h LEU 167 Ca 0.30 0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.92 1ap6 h LEU 167 Cb 0.42 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1ap6 h LEU 167 CO -0.35 0.42 -2.07 1.67 0.09 0.00 0.00 178.44 178.19 1ap6 n GLN 168 N -4.50 0.61 0.00 1.13 7.27 -0.93 -4.64 117.38 116.32 1ap6 n GLN 168 Ca 0.13 0.34 0.10 0.00 0.07 0.00 0.00 57.00 57.64 1ap6 n GLN 168 Cb 0.29 -1.60 0.08 0.00 2.41 0.00 0.00 30.24 31.42 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 -4.05 0.00 -2.38 3.69 4.01 0.16 -5.07 117.16 113.52 1ap6 n TYR 169 Ca -0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 1ap6 n TYR 169 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 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 1.04 0.00 0.04 -0.72 4.01 0.25 -2.29 118.16 120.49 1ap6 n LYS 170 Ca 0.11 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.03 1ap6 n LYS 170 Cb 0.48 0.00 0.50 0.00 -0.51 0.00 0.00 35.03 35.49 1ap6 n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1ap6 n ASN 171 N 1.42 0.25 -4.55 4.39 6.94 -1.26 -4.30 115.26 118.14 1ap6 n ASN 171 Ca 0.00 0.53 -0.42 0.00 -0.02 0.00 0.00 54.58 54.67 1ap6 n ASN 171 Cb 0.00 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 36.81 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 -3.05 4.17 0.25 3.53 1.01 -0.97 -4.83 120.40 120.50 1ap6 s VAL 172 Ca 0.11 -1.48 -0.06 0.00 0.00 0.00 0.00 61.98 60.55 1ap6 s VAL 172 Cb 0.15 -5.08 0.24 0.00 0.00 0.00 0.00 36.38 31.68 1ap6 s VAL 172 CO 0.48 -1.91 1.90 -0.09 0.00 0.00 0.00 175.10 175.47 1ap6 h ARG 173 N 8.55 1.18 -0.36 2.72 2.43 -1.84 -2.70 114.38 124.36 1ap6 h ARG 173 Ca 0.31 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1ap6 h ARG 173 Cb 0.94 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1ap6 h ARG 173 CO 1.40 0.78 0.25 -1.35 -1.51 0.00 0.00 179.97 179.54 1ap6 h PRO 174 N 1.22 0.25 -0.49 0.20 0.11 -1.97 -1.56 132.00 129.75 1ap6 h PRO 174 Ca 0.37 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 1ap6 h PRO 174 Cb -0.04 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 1ap6 h PRO 174 CO -0.11 0.17 0.11 -0.44 -0.21 0.00 0.00 178.00 177.52 1ap6 h ASP 175 N 0.26 0.76 -0.64 -2.05 5.19 -1.86 0.12 116.42 118.19 1ap6 h ASP 175 Ca 0.16 -0.24 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 1ap6 h ASP 175 Cb 0.30 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 1ap6 h ASP 175 CO -0.03 0.80 0.24 0.22 -3.12 0.00 0.00 179.24 177.35 1ap6 h TYR 176 N 0.68 0.98 -0.46 4.55 3.20 -1.35 -2.06 116.97 122.51 1ap6 h TYR 176 Ca 0.15 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1ap6 h TYR 176 Cb 0.34 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1ap6 h TYR 176 CO 0.02 0.78 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.23 1ap6 h LEU 177 N 0.90 0.82 -1.09 2.82 3.38 -1.02 -0.89 115.31 120.22 1ap6 h LEU 177 Ca 0.21 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ap6 h LEU 177 Cb 0.23 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1ap6 h LEU 177 CO -0.01 0.94 0.59 0.50 0.09 0.00 0.00 178.44 180.54 1ap6 h LYS 178 N 0.67 1.20 -0.12 1.13 3.64 -0.63 -3.05 116.57 119.42 1ap6 h LYS 178 Ca 0.13 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 59.22 1ap6 h LYS 178 Cb 0.53 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1ap6 h LYS 178 CO 0.03 0.80 -0.78 0.00 -2.27 0.00 0.00 179.45 177.23 1ap6 h ALA 179 N 1.42 0.39 0.00 5.00 0.00 -1.05 -3.30 119.26 121.72 1ap6 h ALA 179 Ca 0.33 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1ap6 h ALA 179 Cb -0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ap6 h ALA 179 CO -0.07 0.71 -0.03 0.97 0.00 0.00 0.00 179.25 180.84 1ap6 h ILE 180 N 0.45 0.23 0.00 0.00 2.10 -1.05 -2.46 117.51 116.77 1ap6 h ILE 180 Ca -0.05 -0.20 -0.01 0.00 1.08 0.00 0.00 64.86 65.68 1ap6 h ILE 180 Cb 1.39 1.15 -0.00 0.00 -1.09 0.00 0.00 36.82 38.28 1ap6 h ILE 180 CO 0.15 0.03 -0.07 -0.50 -1.08 0.00 0.00 178.15 176.68 1ap6 h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.64 -2.13 115.95 118.43 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 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1ap6 h TRP 181 CO 0.00 0.07 0.00 0.09 -3.56 0.00 0.00 178.44 175.04 1ap6 n ASN 182 N -3.39 0.70 -0.01 -3.49 3.02 -0.93 -3.63 115.26 107.52 1ap6 n ASN 182 Ca -0.02 0.59 0.01 0.00 -0.03 0.00 0.00 54.58 55.14 1ap6 n ASN 182 Cb 0.21 -0.77 0.02 0.00 -0.61 0.00 0.00 39.78 38.63 1ap6 n ASN 182 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ap6 n VAL 183 N -2.19 1.06 -2.15 2.41 0.24 -0.82 -3.25 118.33 113.64 1ap6 n VAL 183 Ca 0.05 -1.12 -0.42 0.00 -2.04 0.00 0.00 64.34 60.81 1ap6 n VAL 183 Cb 0.36 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.20 3.59 -1.13 1.34 -1.09 -1.14 -0.22 121.20 121.35 1ap6 s ILE 184 Ca 0.05 0.95 -0.18 0.00 -2.23 0.00 0.00 60.65 59.23 1ap6 s ILE 184 Cb 0.04 -3.61 0.10 0.00 -1.58 0.00 0.00 42.46 37.41 1ap6 s ILE 184 CO 0.00 -0.01 1.47 0.21 -1.23 0.00 0.00 174.94 175.38 1ap6 s ASN 185 N 2.14 6.77 0.62 3.58 2.47 0.14 -0.85 114.94 129.81 1ap6 s ASN 185 Ca 0.66 -2.24 0.37 0.00 0.42 0.00 0.00 52.86 52.08 1ap6 s ASN 185 Cb -0.33 -2.50 2.03 0.00 -1.45 0.00 0.00 41.25 39.01 1ap6 s ASN 185 CO 0.27 -1.13 2.26 -0.50 -3.72 0.00 0.00 177.10 174.28 1ap6 h TRP 186 N 8.30 0.00 -0.56 0.43 4.06 -1.87 -1.28 115.95 125.02 1ap6 h TRP 186 Ca 0.29 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.22 1ap6 h TRP 186 Cb 0.94 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.07 1ap6 h TRP 186 CO 1.26 0.02 0.26 1.49 -3.56 0.00 0.00 178.44 177.91 1ap6 h GLU 187 N 0.00 0.82 -0.11 0.49 4.81 -1.97 -1.08 114.58 117.54 1ap6 h GLU 187 Ca -0.00 -0.13 -0.23 0.00 -0.13 0.00 0.00 59.36 58.87 1ap6 h GLU 187 Cb 0.11 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.36 1ap6 h GLU 187 CO 0.00 0.68 -0.84 -0.97 -0.73 0.00 0.00 179.01 177.15 1ap6 h ASN 188 N 0.76 0.88 0.73 1.04 -0.73 -1.53 -2.68 115.58 114.05 1ap6 h ASN 188 Ca 0.19 -0.61 -0.07 0.00 1.87 0.00 0.00 56.30 57.68 1ap6 h ASN 188 Cb 0.14 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 1ap6 h ASN 188 CO -0.02 1.40 -0.35 1.62 -0.37 0.00 0.00 177.43 179.71 1ap6 h VAL 189 N 0.47 0.89 -0.27 2.57 3.04 -1.42 -1.71 116.25 119.83 1ap6 h VAL 189 Ca -0.07 -1.38 -0.16 0.00 -1.01 0.00 0.00 66.70 64.07 1ap6 h VAL 189 Cb 1.47 1.84 -0.00 0.00 -2.01 0.00 0.00 31.29 32.58 1ap6 h VAL 189 CO 0.17 0.34 -0.49 0.74 -1.01 0.00 0.00 177.57 177.31 1ap6 h THR 190 N 0.00 1.29 -0.24 3.17 2.02 -1.15 -1.59 112.91 116.41 1ap6 h THR 190 Ca -0.00 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.46 1ap6 h THR 190 Cb 0.81 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1ap6 h THR 190 CO 0.05 0.54 0.06 -0.33 0.37 0.00 0.00 175.52 176.21 1ap6 h GLU 191 N 0.58 0.39 -0.90 6.66 5.08 -1.13 0.04 114.58 125.28 1ap6 h GLU 191 Ca 0.03 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1ap6 h GLU 191 Cb 1.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 1ap6 h GLU 191 CO 0.10 0.49 0.56 0.00 -1.00 0.00 0.00 179.01 179.17 1ap6 h ARG 192 N 0.21 1.21 -0.41 2.33 3.08 -1.26 -0.14 114.38 119.41 1ap6 h ARG 192 Ca 0.08 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1ap6 h ARG 192 Cb 0.28 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1ap6 h ARG 192 CO 0.00 0.83 0.08 -0.92 -1.07 0.00 0.00 179.97 178.90 1ap6 h TYR 193 N 1.24 0.71 -0.23 3.04 3.20 -0.97 -2.93 116.97 121.03 1ap6 h TYR 193 Ca 0.33 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1ap6 h TYR 193 Cb -0.08 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1ap6 h TYR 193 CO 0.00 0.68 -0.29 0.52 -1.64 0.00 0.00 178.16 177.43 1ap6 h MET 194 N 0.53 0.45 0.00 1.82 2.86 -0.60 -0.61 114.93 119.38 1ap6 h MET 194 Ca 0.13 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ap6 h MET 194 Cb 0.34 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1ap6 h MET 194 CO 0.00 0.70 -0.00 0.00 1.06 0.00 0.00 176.91 178.67 1ap6 h ALA 195 N 1.30 1.96 -0.09 6.32 0.00 -0.85 -1.95 119.26 125.96 1ap6 h ALA 195 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ap6 h ALA 195 Cb 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ap6 h ALA 195 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1ap6 s LYS 197 N -0.84 3.05 0.00 0.00 2.36 -0.25 -5.02 119.74 119.04 1ap6 s LYS 197 Ca 0.13 -1.36 0.00 0.00 -2.55 0.00 0.00 55.97 52.19 1ap6 s LYS 197 Cb 0.08 -5.33 0.00 0.00 -1.05 0.00 0.00 37.83 31.53 1ap6 s LYS 197 CO 0.12 -3.27 0.00 1.63 1.55 0.00 0.00 175.35 175.38