#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8a s MET 1 N 0.00 0.59 -0.03 0.00 -2.45 -1.26 -5.05 119.30 111.10 3m8a s MET 1 Ca 0.00 -0.02 0.02 0.00 -1.25 0.00 0.00 55.69 54.43 3m8a s MET 1 Cb 0.00 -0.68 0.01 0.00 1.25 0.00 0.00 34.83 35.41 3m8a s MET 1 CO 0.00 -0.11 -0.06 0.34 1.05 0.00 0.00 175.02 176.25 3m8a s ASP 2 N 0.98 0.93 0.21 1.11 2.15 -1.26 -5.08 116.67 115.71 3m8a s ASP 2 Ca -0.10 -0.13 -0.08 0.00 0.43 0.00 0.00 52.55 52.66 3m8a s ASP 2 Cb -0.14 -0.34 0.15 0.00 -0.30 0.00 0.00 42.92 42.29 3m8a s ASP 2 CO -0.01 -0.00 1.76 0.28 -0.17 0.00 0.00 175.17 177.04 3m8a h SER 3 N 6.74 1.09 -0.14 -0.34 0.02 -2.01 -2.22 113.55 116.70 3m8a h SER 3 Ca -0.35 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.33 3m8a h SER 3 Cb 1.16 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 3m8a h SER 3 CO 0.48 0.99 -0.14 0.78 -1.14 0.00 0.00 176.83 177.80 3m8a h ASN 4 N 1.14 0.51 -0.39 3.07 4.21 -1.98 -0.47 115.58 121.67 3m8a h ASN 4 Ca 0.26 -0.14 -0.05 0.00 1.21 0.00 0.00 56.30 57.58 3m8a h ASN 4 Cb 0.25 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 3m8a h ASN 4 CO -0.02 0.68 0.05 0.74 -1.29 0.00 0.00 177.43 177.59 3m8a h THR 5 N 0.48 1.24 -0.23 2.81 2.02 -1.92 0.71 112.91 118.03 3m8a h THR 5 Ca 0.09 -0.89 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 3m8a h THR 5 Cb 0.53 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3m8a h THR 5 CO 0.03 0.30 -0.07 0.24 0.37 0.00 0.00 175.52 176.39 3m8a h MET 6 N 0.50 0.45 -0.47 6.66 2.86 -1.22 -1.56 114.93 122.16 3m8a h MET 6 Ca 0.12 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3m8a h MET 6 Cb 0.39 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3m8a h MET 6 CO 0.01 0.70 0.29 0.77 1.06 0.00 0.00 176.91 179.74 3m8a h SER 7 N 0.18 0.56 -0.55 1.22 0.02 -1.02 -1.41 113.55 112.55 3m8a h SER 7 Ca 0.06 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3m8a h SER 7 Cb 0.55 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 3m8a h SER 7 CO 0.03 0.44 0.17 0.28 -1.14 0.00 0.00 176.83 176.61 3m8a h SER 8 N 0.63 0.83 -0.10 3.07 0.02 -0.83 -1.94 113.55 115.22 3m8a h SER 8 Ca 0.17 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3m8a h SER 8 Cb -0.02 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3m8a h SER 8 CO -0.03 0.79 0.02 0.15 -1.14 0.00 0.00 176.83 176.61 3m8a h PHE 9 N 0.87 0.18 -0.45 3.45 3.57 -0.74 -1.57 116.94 122.25 3m8a h PHE 9 Ca 0.19 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.70 3m8a h PHE 9 Cb 0.27 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3m8a h PHE 9 CO 0.02 0.37 0.25 1.96 -2.23 0.00 0.00 178.31 178.68 3m8a h GLN 10 N -0.06 0.48 -0.21 1.11 4.20 -1.15 -0.30 115.11 119.17 3m8a h GLN 10 Ca 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3m8a h GLN 10 Cb 0.29 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3m8a h GLN 10 CO 0.00 0.32 0.06 0.28 -0.67 0.00 0.00 178.83 178.82 3m8a h VAL 11 N 0.49 1.20 -0.96 -0.54 2.07 -1.35 -1.86 116.25 115.30 3m8a h VAL 11 Ca 0.19 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.13 3m8a h VAL 11 Cb 0.06 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3m8a h VAL 11 CO -0.11 0.20 0.62 0.44 0.02 0.00 0.00 177.57 178.74 3m8a h ASP 12 N 0.17 0.99 0.02 0.57 3.32 -1.10 -0.07 116.42 120.32 3m8a h ASP 12 Ca 0.07 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3m8a h ASP 12 Cb 0.25 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3m8a h ASP 12 CO -0.00 0.64 -0.01 0.00 -1.72 0.00 0.00 179.24 178.16 3m8a h PHE 14 N -0.07 1.20 -0.01 0.00 3.57 -0.94 -1.42 116.94 119.26 3m8a h PHE 14 Ca -0.00 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 61.30 3m8a h PHE 14 Cb 0.07 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 3m8a h PHE 14 CO -0.06 0.89 -0.55 -0.07 -2.23 0.00 0.00 178.31 176.29 3m8a h LEU 15 N 1.16 0.03 -0.60 0.59 3.38 -0.83 -1.80 115.31 117.24 3m8a h LEU 15 Ca 0.27 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 3m8a h LEU 15 Cb 0.19 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3m8a h LEU 15 CO -0.03 0.58 -0.14 -0.25 0.09 0.00 0.00 178.44 178.69 3m8a h TRP 16 N 0.02 1.08 -0.50 1.13 7.01 -0.64 -2.01 115.95 122.04 3m8a h TRP 16 Ca -0.00 -0.23 0.05 0.00 2.11 0.00 0.00 58.89 60.82 3m8a h TRP 16 Cb 0.98 -0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 27.73 3m8a h TRP 16 CO 0.00 1.03 0.23 1.25 -2.79 0.00 0.00 178.44 178.16 3m8a h HIS 17 N 0.86 0.42 -0.45 2.65 2.76 -0.76 0.46 115.15 121.08 3m8a h HIS 17 Ca 0.13 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3m8a h HIS 17 Cb 0.69 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 3m8a h HIS 17 CO 0.04 0.19 0.29 0.82 -1.30 0.00 0.00 177.93 177.97 3m8a h ILE 18 N 0.45 1.13 -0.84 6.26 2.04 -1.05 -1.70 117.51 123.81 3m8a h ILE 18 Ca 0.23 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3m8a h ILE 18 Cb 0.17 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3m8a h ILE 18 CO -0.18 0.13 0.39 0.03 0.00 0.00 0.00 178.15 178.51 3m8a h ARG 19 N 0.61 1.22 -0.15 2.37 3.08 -0.79 -1.73 114.38 118.99 3m8a h ARG 19 Ca 0.16 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3m8a h ARG 19 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3m8a h ARG 19 CO -0.03 0.95 0.08 -0.22 -1.07 0.00 0.00 179.97 179.67 3m8a h LYS 20 N 1.20 0.21 -0.58 0.04 1.63 -0.80 -0.53 116.57 117.75 3m8a h LYS 20 Ca 0.29 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 3m8a h LYS 20 Cb 0.14 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 3m8a h LYS 20 CO -0.03 0.23 0.29 0.00 -3.45 0.00 0.00 179.45 176.48 3m8a h ARG 21 N 0.14 0.80 -0.24 1.90 2.47 -1.09 0.11 114.38 118.47 3m8a h ARG 21 Ca 0.05 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 58.63 3m8a h ARG 21 Cb 0.08 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 3m8a h ARG 21 CO -0.01 0.61 -0.04 0.35 0.56 0.00 0.00 179.97 181.44 3m8a h PHE 22 N 0.81 0.50 -0.68 3.04 3.57 -1.11 -2.84 116.94 120.23 3m8a h PHE 22 Ca 0.20 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3m8a h PHE 22 Cb 0.07 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3m8a h PHE 22 CO 0.01 0.66 0.26 0.00 -2.23 0.00 0.00 178.31 177.00 3m8a h ALA 23 N 0.77 1.18 -0.21 2.41 0.00 -0.71 -2.33 119.26 120.36 3m8a h ALA 23 Ca 0.06 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3m8a h ALA 23 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3m8a h ALA 23 CO 0.02 0.59 0.15 -0.44 0.00 0.00 0.00 179.25 179.57 3m8a h ASP 24 N 0.98 0.02 -0.05 0.00 3.32 -0.64 -0.31 116.42 119.75 3m8a h ASP 24 Ca 0.23 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3m8a h ASP 24 Cb 0.21 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3m8a h ASP 24 CO -0.02 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3m8a n ASN 25 N -4.48 0.48 -2.13 6.45 3.02 -0.88 -4.92 115.26 112.80 3m8a n ASN 25 Ca 0.02 -1.55 -0.15 0.00 -0.03 0.00 0.00 54.58 52.88 3m8a n ASN 25 Cb 0.28 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.44 3m8a n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m8a n GLY 26 N 0.87 -0.07 0.07 7.41 0.00 -0.12 -4.94 105.19 108.41 3m8a n GLY 26 Ca 0.14 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3m8a n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m8a n LEU 27 N -2.86 0.74 -4.84 0.99 4.77 -1.21 -5.02 117.00 109.57 3m8a n LEU 27 Ca -0.05 -0.57 -0.32 0.00 -0.03 0.00 0.00 56.01 55.03 3m8a n LEU 27 Cb 0.57 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3m8a n LEU 27 CO 0.33 0.17 0.52 -0.83 -1.33 0.00 0.00 177.39 176.25 3m8a s GLY 28 N -1.88 2.31 0.71 -0.72 0.00 -1.26 -4.99 107.32 101.49 3m8a s GLY 28 Ca 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.93 3m8a s GLY 28 CO 0.40 0.40 0.98 0.51 0.00 0.00 0.00 173.10 175.40 3m8a s ASP 29 N -2.35 4.40 0.15 1.64 1.47 -1.26 -4.91 116.67 115.81 3m8a s ASP 29 Ca 0.57 -0.30 -0.16 0.00 1.18 0.00 0.00 52.55 53.84 3m8a s ASP 29 Cb -0.10 -0.12 0.05 0.00 -0.34 0.00 0.00 42.92 42.41 3m8a s ASP 29 CO 0.18 -1.82 1.76 0.00 0.68 0.00 0.00 175.17 175.96 3m8a h ALA 30 N -0.51 0.41 -0.32 2.11 0.00 -2.00 -2.55 119.26 116.40 3m8a h ALA 30 Ca -0.37 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3m8a h ALA 30 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3m8a h ALA 30 CO 0.42 -0.26 0.03 -1.35 0.00 0.00 0.00 179.25 178.09 3m8a h PRO 31 N 0.29 0.48 -0.45 0.00 0.11 -1.99 -0.97 132.00 129.47 3m8a h PRO 31 Ca 0.15 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3m8a h PRO 31 Cb 0.11 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3m8a h PRO 31 CO -0.14 0.48 0.30 0.35 -0.21 0.00 0.00 178.00 178.78 3m8a h PHE 32 N 0.47 0.56 -0.14 0.65 3.57 -1.87 -0.85 116.94 119.34 3m8a h PHE 32 Ca 0.11 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3m8a h PHE 32 Cb 0.26 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3m8a h PHE 32 CO 0.01 0.36 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.98 3m8a h LEU 33 N 0.61 0.31 -0.46 0.59 4.07 -1.06 -1.64 115.31 117.72 3m8a h LEU 33 Ca 0.16 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 3m8a h LEU 33 Cb -0.07 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 3m8a h LEU 33 CO -0.04 0.68 0.06 -0.78 -1.08 0.00 0.00 178.44 177.29 3m8a h ASP 34 N 0.25 0.75 -0.57 -0.43 3.58 -0.63 -1.63 116.42 117.74 3m8a h ASP 34 Ca 0.02 -0.27 -0.09 0.00 0.42 0.00 0.00 57.03 57.11 3m8a h ASP 34 Cb 0.81 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 3m8a h ASP 34 CO 0.06 0.83 0.01 0.03 -2.88 0.00 0.00 179.24 177.29 3m8a h ARG 35 N 0.64 1.02 -0.65 0.28 3.08 -1.06 -1.88 114.38 115.82 3m8a h ARG 35 Ca 0.14 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 59.91 3m8a h ARG 35 Cb 0.41 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 3m8a h ARG 35 CO 0.01 1.00 0.40 1.25 -1.07 0.00 0.00 179.97 181.56 3m8a h LEU 36 N 0.94 0.65 0.04 3.04 5.85 -1.00 0.23 115.31 125.05 3m8a h LEU 36 Ca 0.17 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3m8a h LEU 36 Cb 0.53 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3m8a h LEU 36 CO 0.03 0.45 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.47 3m8a h ARG 37 N 0.78 -0.05 -0.76 1.25 2.43 -1.14 -1.31 114.38 115.57 3m8a h ARG 37 Ca 0.26 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3m8a h ARG 37 Cb 0.03 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3m8a h ARG 37 CO -0.11 0.25 0.39 0.00 -1.51 0.00 0.00 179.97 179.00 3m8a h ARG 38 N -0.35 1.08 -0.23 0.20 3.08 -1.15 -2.81 114.38 114.19 3m8a h ARG 38 Ca -0.01 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 3m8a h ARG 38 Cb 0.32 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3m8a h ARG 38 CO 0.01 0.82 -0.31 -0.44 -1.07 0.00 0.00 179.97 178.98 3m8a h ASP 39 N 1.06 0.49 -0.83 7.04 3.32 -0.45 -2.08 116.42 124.98 3m8a h ASP 39 Ca 0.27 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3m8a h ASP 39 Cb 0.07 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3m8a h ASP 39 CO -0.04 0.78 0.39 -0.61 -1.72 0.00 0.00 179.24 178.04 3m8a h GLN 40 N 0.41 1.20 -0.36 3.56 4.15 -0.99 0.12 115.11 123.20 3m8a h GLN 40 Ca 0.05 -0.18 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 3m8a h GLN 40 Cb 0.75 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3m8a h GLN 40 CO 0.06 0.92 -0.05 -0.22 -1.93 0.00 0.00 178.83 177.62 3m8a h LYS 41 N 1.18 0.66 -0.22 1.69 3.64 -1.29 -1.63 116.57 120.60 3m8a h LYS 41 Ca 0.28 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 3m8a h LYS 41 Cb 0.13 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3m8a h LYS 41 CO -0.03 0.80 -0.48 0.66 -2.27 0.00 0.00 179.45 178.13 3m8a h SER 42 N 0.47 0.63 -0.79 4.20 4.64 -1.16 -2.44 113.55 119.10 3m8a h SER 42 Ca 0.10 -0.31 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 3m8a h SER 42 Cb 0.53 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 3m8a h SER 42 CO 0.03 1.01 0.30 -0.07 -0.87 0.00 0.00 176.83 177.23 3m8a h LEU 43 N 0.46 1.10 -0.28 5.97 3.38 -0.67 0.12 115.31 125.39 3m8a h LEU 43 Ca 0.02 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3m8a h LEU 43 Cb 1.01 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3m8a h LEU 43 CO 0.09 0.99 0.15 0.11 0.09 0.00 0.00 178.44 179.87 3m8a h LYS 44 N 1.16 0.31 -0.55 1.13 1.57 -1.20 -0.14 116.57 118.84 3m8a h LYS 44 Ca 0.26 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3m8a h LYS 44 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3m8a h LYS 44 CO -0.02 0.20 0.25 0.78 -0.57 0.00 0.00 179.45 180.10 3m8a h GLY 45 N 0.32 0.86 0.98 3.86 0.00 -1.09 -2.24 103.07 105.76 3m8a h GLY 45 Ca 0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3m8a h GLY 45 CO -0.06 0.42 0.25 3.21 0.00 0.00 0.00 176.54 180.36 3m8a h ARG 46 N 0.75 0.78 -0.97 4.80 3.08 -0.47 -1.07 114.38 121.28 3m8a h ARG 46 Ca 0.19 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3m8a h ARG 46 Cb 0.15 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 3m8a h ARG 46 CO -0.02 0.64 0.64 0.78 -1.07 0.00 0.00 179.97 180.95 3m8a h GLY 47 N 0.72 1.37 0.83 0.04 0.00 -0.93 -0.87 103.07 104.24 3m8a h GLY 47 Ca 0.18 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3m8a h GLY 47 CO -0.02 0.49 0.02 -0.57 0.00 0.00 0.00 176.54 176.46 3m8a h ASN 48 N 1.31 0.09 -0.63 0.19 -0.73 -1.04 -0.80 115.58 113.97 3m8a h ASN 48 Ca 0.36 -0.19 0.03 0.00 1.87 0.00 0.00 56.30 58.37 3m8a h ASN 48 Cb -0.14 -0.02 -0.04 0.00 0.27 0.00 0.00 38.32 38.39 3m8a h ASN 48 CO -0.08 0.25 0.39 0.74 -0.37 0.00 0.00 177.43 178.37 3m8a h THR 49 N -0.08 1.09 0.00 -3.57 2.02 -0.86 -3.08 112.91 108.42 3m8a h THR 49 Ca 0.02 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3m8a h THR 49 Cb 0.19 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3m8a h THR 49 CO -0.00 0.14 -0.09 -0.07 0.37 0.00 0.00 175.52 175.87 3m8a h LEU 50 N 0.78 0.00 0.31 2.58 3.38 -1.07 -3.47 115.31 117.81 3m8a h LEU 50 Ca 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3m8a h LEU 50 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3m8a h LEU 50 CO -0.10 0.09 -0.06 0.61 0.09 0.00 0.00 178.44 179.07 3m8a n GLY 51 N 1.10 0.35 3.31 0.83 0.00 -0.41 -5.04 105.19 105.33 3m8a n GLY 51 Ca 0.04 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 3m8a n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m8a s LEU 52 N -0.71 2.41 0.12 0.99 1.43 -0.57 -5.05 118.68 117.31 3m8a s LEU 52 Ca 0.00 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 3m8a s LEU 52 Cb 0.00 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.65 3m8a s LEU 52 CO 0.00 0.19 1.22 -0.62 0.23 0.00 0.00 176.35 177.37 3m8a s ASP 53 N 0.18 7.06 0.21 2.29 2.15 -1.26 -4.51 116.67 122.79 3m8a s ASP 53 Ca -0.11 2.14 -0.10 0.00 0.43 0.00 0.00 52.55 54.92 3m8a s ASP 53 Cb -0.16 -2.59 0.17 0.00 -0.30 0.00 0.00 42.92 40.04 3m8a s ASP 53 CO 0.06 -0.44 1.88 0.40 -0.17 0.00 0.00 175.17 176.89 3m8a h ILE 54 N 4.14 1.21 -0.08 4.11 2.04 -1.95 -1.99 117.51 124.99 3m8a h ILE 54 Ca -0.43 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3m8a h ILE 54 Cb 1.21 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3m8a h ILE 54 CO 0.79 0.21 -0.07 -0.33 0.00 0.00 0.00 178.15 178.74 3m8a h GLU 55 N 1.07 -0.09 -0.40 2.37 5.08 -2.00 0.35 114.58 120.96 3m8a h GLU 55 Ca 0.29 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3m8a h GLU 55 Cb -0.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3m8a h GLU 55 CO -0.06 -0.06 0.03 1.79 -1.00 0.00 0.00 179.01 179.72 3m8a h THR 56 N -0.09 1.25 -0.74 1.13 1.35 -1.97 -2.96 112.91 110.89 3m8a h THR 56 Ca 0.06 -0.94 0.02 0.00 -0.55 0.00 0.00 66.41 65.00 3m8a h THR 56 Cb 0.17 1.08 -0.04 0.00 -1.73 0.00 0.00 68.15 67.63 3m8a h THR 56 CO -0.13 0.32 0.49 0.00 -0.25 0.00 0.00 175.52 175.94 3m8a h ALA 57 N 0.90 1.51 -0.35 6.62 0.00 -1.13 -1.57 119.26 125.24 3m8a h ALA 57 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3m8a h ALA 57 Cb 0.42 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3m8a h ALA 57 CO 0.01 0.44 0.18 1.15 0.00 0.00 0.00 179.25 181.03 3m8a h THR 58 N 0.96 1.16 -0.39 0.00 2.02 -0.82 0.38 112.91 116.23 3m8a h THR 58 Ca 0.28 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 3m8a h THR 58 Cb -0.05 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3m8a h THR 58 CO -0.07 0.16 -0.12 -0.07 0.37 0.00 0.00 175.52 175.80 3m8a h LEU 59 N 0.44 0.68 -0.26 2.58 3.38 -1.22 -1.45 115.31 119.45 3m8a h LEU 59 Ca 0.12 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3m8a h LEU 59 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3m8a h LEU 59 CO -0.02 0.82 -0.14 0.58 0.09 0.00 0.00 178.44 179.78 3m8a h VAL 60 N 0.63 1.30 -0.86 1.22 2.07 -1.13 -2.72 116.25 116.77 3m8a h VAL 60 Ca 0.11 -1.23 0.08 0.00 0.82 0.00 0.00 66.70 66.48 3m8a h VAL 60 Cb 0.56 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 3m8a h VAL 60 CO 0.04 0.39 0.52 1.23 0.02 0.00 0.00 177.57 179.76 3m8a h GLY 61 N 0.28 1.32 0.77 2.17 0.00 -0.63 -0.89 103.07 106.08 3m8a h GLY 61 Ca 0.06 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.07 3m8a h GLY 61 CO 0.04 0.20 0.30 1.70 0.00 0.00 0.00 176.54 178.78 3m8a h LYS 62 N 0.90 0.56 -0.60 4.80 3.64 -1.20 -0.91 116.57 123.76 3m8a h LYS 62 Ca 0.40 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.64 3m8a h LYS 62 Cb 0.28 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3m8a h LYS 62 CO -0.21 0.37 -0.00 1.96 -2.27 0.00 0.00 179.45 179.30 3m8a h GLN 63 N 0.58 1.06 -0.03 1.90 4.20 -0.98 -0.97 115.11 120.87 3m8a h GLN 63 Ca 0.23 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 3m8a h GLN 63 Cb 0.11 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3m8a h GLN 63 CO -0.14 1.03 0.01 0.82 -0.67 0.00 0.00 178.83 179.88 3m8a h ILE 64 N 0.97 1.19 -0.61 2.54 2.04 -0.84 -1.78 117.51 121.02 3m8a h ILE 64 Ca 0.17 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.47 3m8a h ILE 64 Cb 0.56 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 3m8a h ILE 64 CO 0.03 0.15 0.39 0.58 0.00 0.00 0.00 178.15 179.30 3m8a h VAL 65 N -0.17 1.12 -0.86 1.67 2.07 -1.10 -1.68 116.25 117.30 3m8a h VAL 65 Ca 0.01 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3m8a h VAL 65 Cb 0.24 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3m8a h VAL 65 CO 0.00 0.14 0.50 -0.33 0.02 0.00 0.00 177.57 177.90 3m8a h GLU 66 N 0.78 1.18 -0.48 1.57 5.08 -1.11 -1.62 114.58 119.99 3m8a h GLU 66 Ca 0.23 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3m8a h GLU 66 Cb -0.05 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 3m8a h GLU 66 CO -0.07 0.85 0.11 2.35 -1.00 0.00 0.00 179.01 181.25 3m8a h TRP 67 N 1.19 0.82 0.32 4.33 2.91 -0.90 -1.30 115.95 123.33 3m8a h TRP 67 Ca 0.31 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 60.21 3m8a h TRP 67 Cb -0.01 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.41 3m8a h TRP 67 CO 0.00 0.74 -0.16 0.82 -1.03 0.00 0.00 178.44 178.82 3m8a h ILE 68 N 0.65 0.70 0.00 2.65 2.04 -1.01 0.93 117.51 123.48 3m8a h ILE 68 Ca 0.15 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3m8a h ILE 68 Cb 0.34 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3m8a h ILE 68 CO 0.00 0.04 -0.08 -0.07 0.00 0.00 0.00 178.15 178.05 3m8a h LEU 69 N -0.55 0.00 0.00 1.44 4.07 -1.29 -1.06 115.31 117.92 3m8a h LEU 69 Ca -0.04 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.58 3m8a h LEU 69 Cb 0.40 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.09 3m8a h LEU 69 CO 0.07 0.08 -2.18 0.29 -1.08 0.00 0.00 178.44 175.62 3m8a n LYS 70 N -3.51 0.47 0.00 1.13 5.02 -0.49 -4.76 118.16 116.02 3m8a n LYS 70 Ca -0.02 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.56 3m8a n LYS 70 Cb 0.20 -1.30 0.17 0.00 -0.02 0.00 0.00 35.03 34.08 3m8a n LYS 70 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3m8a n GLU 71 N -3.68 1.26 0.00 1.97 4.71 0.31 -5.08 120.64 120.12 3m8a n GLU 71 Ca -0.40 -0.94 0.00 0.00 -0.01 0.00 0.00 57.16 55.81 3m8a n GLU 71 Cb 0.82 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.77 3m8a n GLU 71 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61