#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 0.14 -0.05 0.00 1.75 -1.26 -5.08 119.30 114.80 3m8a s MET 1 Ca 0.00 0.41 0.01 0.00 -1.25 0.00 0.00 55.69 54.86 3m8a s MET 1 Cb 0.00 -0.14 0.02 0.00 2.84 0.00 0.00 34.83 37.56 3m8a s MET 1 CO 0.00 -0.15 -0.04 0.34 -0.65 0.00 0.00 175.02 174.52 3m8a s ASP 2 N 1.11 1.14 0.23 1.11 2.15 -1.26 -5.06 116.67 116.09 3m8a s ASP 2 Ca -0.08 -0.14 -0.08 0.00 0.43 0.00 0.00 52.55 52.68 3m8a s ASP 2 Cb -0.10 -0.48 0.22 0.00 -0.30 0.00 0.00 42.92 42.25 3m8a s ASP 2 CO -0.06 -0.07 1.90 0.77 -0.17 0.00 0.00 175.17 177.54 3m8a h SER 3 N 7.40 1.05 -0.28 -0.34 4.64 -2.01 -2.18 113.55 121.82 3m8a h SER 3 Ca -0.34 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 3m8a h SER 3 Cb 1.15 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3m8a h SER 3 CO 0.43 0.77 -0.11 0.78 -0.87 0.00 0.00 176.83 177.84 3m8a h ASN 4 N 1.23 0.68 -0.46 4.97 4.21 -1.98 -0.33 115.58 123.92 3m8a h ASN 4 Ca 0.33 -0.20 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 3m8a h ASN 4 Cb -0.12 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 36.87 3m8a h ASN 4 CO -0.07 0.82 0.21 0.74 -1.29 0.00 0.00 177.43 177.85 3m8a h THR 5 N 0.64 1.19 -0.34 2.81 2.02 -1.91 0.10 112.91 117.42 3m8a h THR 5 Ca 0.11 -0.55 -0.12 0.00 0.77 0.00 0.00 66.41 66.63 3m8a h THR 5 Cb 0.56 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3m8a h THR 5 CO 0.03 0.21 -0.24 0.24 0.37 0.00 0.00 175.52 176.13 3m8a h MET 6 N 0.59 0.77 -0.57 6.66 2.86 -1.15 -1.47 114.93 122.61 3m8a h MET 6 Ca 0.16 -0.37 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 3m8a h MET 6 Cb 0.13 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3m8a h MET 6 CO -0.02 0.99 0.18 0.77 1.06 0.00 0.00 176.91 179.89 3m8a h SER 7 N 0.54 0.84 -0.82 1.22 0.02 -0.95 -1.21 113.55 113.19 3m8a h SER 7 Ca 0.07 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3m8a h SER 7 Cb 0.80 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 3m8a h SER 7 CO 0.07 0.83 0.43 0.28 -1.14 0.00 0.00 176.83 177.29 3m8a h SER 8 N 0.81 1.05 -0.40 3.07 0.02 -0.71 -1.93 113.55 115.46 3m8a h SER 8 Ca 0.18 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 3m8a h SER 8 Cb 0.29 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3m8a h SER 8 CO -0.01 0.87 -0.11 0.15 -1.14 0.00 0.00 176.83 176.59 3m8a h PHE 9 N 1.17 0.88 -0.13 3.45 3.57 -0.94 -2.14 116.94 122.80 3m8a h PHE 9 Ca 0.29 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3m8a h PHE 9 Cb 0.07 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3m8a h PHE 9 CO 0.01 0.91 0.07 1.96 -2.23 0.00 0.00 178.31 179.03 3m8a h GLN 10 N 0.60 0.18 -0.58 1.11 4.20 -0.95 -1.04 115.11 118.62 3m8a h GLN 10 Ca 0.10 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3m8a h GLN 10 Cb 0.63 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 3m8a h GLN 10 CO 0.04 0.22 0.15 -0.39 -0.67 0.00 0.00 178.83 178.18 3m8a h VAL 11 N 0.10 1.25 -1.01 -0.54 -1.51 -1.37 -1.69 116.25 111.47 3m8a h VAL 11 Ca 0.04 -0.88 0.03 0.00 -1.23 0.00 0.00 66.70 64.67 3m8a h VAL 11 Cb 0.09 0.71 -0.06 0.00 -2.13 0.00 0.00 31.29 29.91 3m8a h VAL 11 CO -0.01 0.33 0.66 0.44 -1.23 0.00 0.00 177.57 177.76 3m8a h ASP 12 N 0.83 1.12 -0.28 4.19 3.32 -1.30 0.17 116.42 124.46 3m8a h ASP 12 Ca 0.18 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3m8a h ASP 12 Cb 0.33 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3m8a h ASP 12 CO -0.00 0.78 0.13 0.00 -1.72 0.00 0.00 179.24 178.43 3m8a h PHE 14 N 0.32 0.88 -0.11 0.00 3.57 -0.80 -2.12 116.94 118.68 3m8a h PHE 14 Ca 0.10 -0.26 -0.11 0.00 3.53 0.00 0.00 57.97 61.22 3m8a h PHE 14 Cb 0.14 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3m8a h PHE 14 CO -0.01 1.02 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.59 3m8a h LEU 15 N 0.60 0.26 -0.59 0.59 3.38 -0.58 -1.96 115.31 117.02 3m8a h LEU 15 Ca 0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3m8a h LEU 15 Cb 0.95 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3m8a h LEU 15 CO 0.09 0.66 0.23 -0.25 0.09 0.00 0.00 178.44 179.26 3m8a h TRP 16 N 0.21 0.91 -0.73 1.13 7.01 -0.98 -2.14 115.95 121.36 3m8a h TRP 16 Ca 0.02 -0.07 0.07 0.00 2.11 0.00 0.00 58.89 61.01 3m8a h TRP 16 Cb 0.84 -0.27 -0.06 0.00 -2.10 0.00 0.00 29.16 27.57 3m8a h TRP 16 CO 0.02 0.73 0.41 1.25 -2.79 0.00 0.00 178.44 178.06 3m8a h HIS 17 N 0.82 0.76 -0.22 2.65 2.76 -1.01 0.08 115.15 120.99 3m8a h HIS 17 Ca 0.20 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3m8a h HIS 17 Cb 0.21 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 3m8a h HIS 17 CO 0.01 0.35 0.14 0.82 -1.30 0.00 0.00 177.93 177.95 3m8a h ILE 18 N 0.75 1.07 -0.95 6.26 2.04 -1.11 -2.18 117.51 123.39 3m8a h ILE 18 Ca 0.33 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 66.07 3m8a h ILE 18 Cb 0.23 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3m8a h ILE 18 CO -0.20 0.07 0.63 0.03 0.00 0.00 0.00 178.15 178.68 3m8a h ARG 19 N 0.29 1.17 -0.51 2.37 3.08 -0.74 0.21 114.38 120.25 3m8a h ARG 19 Ca 0.08 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3m8a h ARG 19 Cb -0.01 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 3m8a h ARG 19 CO -0.02 0.77 0.07 -0.22 -1.07 0.00 0.00 179.97 179.51 3m8a h LYS 20 N 1.21 0.85 -0.39 0.04 1.63 -0.78 0.37 116.57 119.49 3m8a h LYS 20 Ca 0.38 -0.23 -0.16 0.00 -0.85 0.00 0.00 60.65 59.79 3m8a h LYS 20 Cb -0.00 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 3m8a h LYS 20 CO -0.11 0.85 -0.37 0.00 -3.45 0.00 0.00 179.45 176.37 3m8a h ARG 21 N 0.72 0.93 -0.41 1.90 2.47 -0.99 -0.37 114.38 118.63 3m8a h ARG 21 Ca 0.15 -0.48 -0.00 0.00 -1.26 0.00 0.00 59.98 58.39 3m8a h ARG 21 Cb 0.42 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 3m8a h ARG 21 CO 0.01 1.13 0.25 0.35 0.56 0.00 0.00 179.97 182.27 3m8a h PHE 22 N 0.76 0.53 -0.41 3.04 3.57 -0.75 -1.74 116.94 121.94 3m8a h PHE 22 Ca 0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3m8a h PHE 22 Cb 0.95 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3m8a h PHE 22 CO 0.06 0.38 0.27 0.00 -2.23 0.00 0.00 178.31 176.79 3m8a h ALA 23 N 1.11 0.52 -0.60 2.41 0.00 -0.74 -2.59 119.26 119.38 3m8a h ALA 23 Ca 0.15 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3m8a h ALA 23 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3m8a h ALA 23 CO -0.03 -0.02 0.40 0.22 0.00 0.00 0.00 179.25 179.82 3m8a h ASP 24 N 0.56 0.57 0.18 0.00 3.58 -0.81 -0.94 116.42 119.56 3m8a h ASP 24 Ca 0.15 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3m8a h ASP 24 Cb -0.06 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.86 3m8a h ASP 24 CO -0.03 0.39 0.00 0.59 -2.88 0.00 0.00 179.24 177.31 3m8a n ASN 25 N -4.47 0.00 0.00 2.28 3.02 -0.68 -4.88 115.26 110.53 3m8a n ASN 25 Ca 0.08 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 3m8a n ASN 25 Cb 0.17 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 0.54 0.42 0.62 7.41 0.00 -0.36 -4.97 105.19 108.86 3m8a n GLY 26 Ca 0.15 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 2.16 -4.85 0.99 4.77 -1.12 -4.95 117.00 114.00 3m8a n LEU 27 Ca 0.00 -0.74 -0.35 0.00 -0.03 0.00 0.00 56.01 54.89 3m8a n LEU 27 Cb 0.03 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3m8a n LEU 27 CO 0.00 0.38 0.20 -0.83 -1.33 0.00 0.00 177.39 175.81 3m8a s GLY 28 N -2.27 2.41 0.66 -0.72 0.00 -1.26 -4.99 107.32 101.15 3m8a s GLY 28 Ca 0.25 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.77 3m8a s GLY 28 CO 0.45 0.05 0.91 0.51 0.00 0.00 0.00 173.10 175.01 3m8a s ASP 29 N -1.81 4.69 0.20 1.64 -4.77 -1.26 -4.89 116.67 110.46 3m8a s ASP 29 Ca 0.38 -0.31 -0.11 0.00 -3.30 0.00 0.00 52.55 49.21 3m8a s ASP 29 Cb -0.14 -0.23 0.17 0.00 -1.09 0.00 0.00 42.92 41.62 3m8a s ASP 29 CO 0.19 -1.60 1.83 0.00 0.70 0.00 0.00 175.17 176.29 3m8a h ALA 30 N -0.29 0.84 -0.74 2.11 0.00 -1.99 -1.59 119.26 117.61 3m8a h ALA 30 Ca -0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3m8a h ALA 30 Cb 1.28 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3m8a h ALA 30 CO 0.44 0.14 0.41 -1.35 0.00 0.00 0.00 179.25 178.89 3m8a h PRO 31 N 0.77 1.03 -0.67 0.00 0.11 -1.99 -1.20 132.00 130.04 3m8a h PRO 31 Ca 0.26 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 3m8a h PRO 31 Cb 0.04 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 3m8a h PRO 31 CO -0.11 0.75 0.33 0.35 -0.21 0.00 0.00 178.00 179.11 3m8a h PHE 32 N 1.04 0.96 -0.19 0.65 3.57 -1.82 -1.82 116.94 119.33 3m8a h PHE 32 Ca 0.26 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3m8a h PHE 32 Cb 0.02 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3m8a h PHE 32 CO 0.01 0.71 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.41 3m8a h LEU 33 N 0.93 0.38 -0.30 0.59 3.38 -0.72 -0.63 115.31 118.94 3m8a h LEU 33 Ca 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3m8a h LEU 33 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3m8a h LEU 33 CO -0.03 0.69 0.09 -0.78 0.09 0.00 0.00 178.44 178.50 3m8a h ASP 34 N 0.33 0.44 -0.12 -0.43 3.58 -0.92 -2.10 116.42 117.20 3m8a h ASP 34 Ca 0.04 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 3m8a h ASP 34 Cb 0.72 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 3m8a h ASP 34 CO 0.06 0.53 -0.13 0.03 -2.88 0.00 0.00 179.24 176.84 3m8a h ARG 35 N 0.32 0.47 -0.19 0.28 3.08 -1.13 -1.03 114.38 116.18 3m8a h ARG 35 Ca 0.10 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3m8a h ARG 35 Cb 0.25 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3m8a h ARG 35 CO -0.00 0.61 0.10 1.25 -1.07 0.00 0.00 179.97 180.85 3m8a h LEU 36 N 0.44 0.25 -0.31 3.04 5.85 -0.87 -0.67 115.31 123.04 3m8a h LEU 36 Ca 0.08 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3m8a h LEU 36 Cb 0.50 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3m8a h LEU 36 CO 0.03 0.29 0.09 -0.09 -0.34 0.00 0.00 178.44 178.41 3m8a h ARG 37 N 0.19 0.48 -0.35 1.25 9.65 -1.19 -0.84 114.38 123.57 3m8a h ARG 37 Ca 0.07 -0.11 0.06 0.00 -1.10 0.00 0.00 59.98 58.89 3m8a h ARG 37 Cb 0.10 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 3m8a h ARG 37 CO -0.01 0.54 0.04 -0.09 2.80 0.00 0.00 179.97 183.25 3m8a h ARG 38 N 0.34 0.14 -0.07 0.20 2.43 -1.09 -2.54 114.38 113.79 3m8a h ARG 38 Ca 0.10 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 3m8a h ARG 38 Cb 0.27 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3m8a h ARG 38 CO -0.00 0.09 -0.55 -0.44 -1.51 0.00 0.00 179.97 177.57 3m8a h ASP 39 N 0.14 0.22 -0.26 -3.80 3.32 -1.06 -2.07 116.42 112.92 3m8a h ASP 39 Ca 0.17 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3m8a h ASP 39 Cb 0.22 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3m8a h ASP 39 CO -0.25 0.72 0.16 -0.61 -1.72 0.00 0.00 179.24 177.53 3m8a h GLN 40 N 0.15 0.31 -0.42 3.56 4.15 -0.76 0.49 115.11 122.60 3m8a h GLN 40 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 3m8a h GLN 40 Cb 1.01 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 3m8a h GLN 40 CO 0.08 0.21 0.11 0.87 -1.93 0.00 0.00 178.83 178.17 3m8a h LYS 41 N 0.32 0.67 -0.52 1.69 1.57 -1.39 -2.02 116.57 116.89 3m8a h LYS 41 Ca 0.10 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3m8a h LYS 41 Cb -0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3m8a h LYS 41 CO -0.05 0.68 0.34 1.03 -0.57 0.00 0.00 179.45 180.89 3m8a h SER 42 N 0.54 0.60 -0.06 0.86 0.87 -1.14 -1.68 113.55 113.56 3m8a h SER 42 Ca 0.13 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 3m8a h SER 42 Cb 0.30 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3m8a h SER 42 CO 0.00 0.44 -0.34 -0.07 -0.53 0.00 0.00 176.83 176.34 3m8a h LEU 43 N 0.71 0.56 -0.39 2.23 3.38 -0.82 -0.94 115.31 120.05 3m8a h LEU 43 Ca 0.19 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3m8a h LEU 43 Cb -0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3m8a h LEU 43 CO -0.04 0.86 0.24 0.50 0.09 0.00 0.00 178.44 180.09 3m8a h LYS 44 N 0.46 0.47 -0.45 1.13 3.64 -0.97 0.27 116.57 121.12 3m8a h LYS 44 Ca 0.05 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3m8a h LYS 44 Cb 0.81 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3m8a h LYS 44 CO 0.07 0.31 0.05 0.78 -2.27 0.00 0.00 179.45 178.39 3m8a h GLY 45 N 0.49 0.83 0.94 5.01 0.00 -1.08 -2.51 103.07 106.74 3m8a h GLY 45 Ca 0.15 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3m8a h GLY 45 CO -0.05 0.53 0.15 3.21 0.00 0.00 0.00 176.54 180.38 3m8a h ARG 46 N 0.63 0.53 -0.57 4.80 3.08 -0.95 -1.67 114.38 120.23 3m8a h ARG 46 Ca 0.13 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3m8a h ARG 46 Cb 0.43 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3m8a h ARG 46 CO 0.01 0.51 0.37 0.78 -1.07 0.00 0.00 179.97 180.57 3m8a h GLY 47 N 0.43 0.81 0.76 0.04 0.00 -0.89 -0.79 103.07 103.43 3m8a h GLY 47 Ca 0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3m8a h GLY 47 CO -0.01 0.30 -0.07 -0.57 0.00 0.00 0.00 176.54 176.19 3m8a h ASN 48 N 0.78 0.35 -0.85 0.19 -0.73 -1.25 0.69 115.58 114.76 3m8a h ASN 48 Ca 0.21 -0.41 -0.03 0.00 1.87 0.00 0.00 56.30 57.94 3m8a h ASN 48 Cb -0.08 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.38 3m8a h ASN 48 CO -0.04 0.67 0.41 0.74 -0.37 0.00 0.00 177.43 178.84 3m8a h THR 49 N 0.02 1.26 0.00 -3.57 2.02 -0.94 -3.04 112.91 108.66 3m8a h THR 49 Ca 0.04 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3m8a h THR 49 Cb 0.54 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3m8a h THR 49 CO 0.02 0.31 -0.26 -0.07 0.37 0.00 0.00 175.52 175.90 3m8a h LEU 50 N 1.21 0.00 0.58 2.58 3.38 -1.11 -3.48 115.31 118.46 3m8a h LEU 50 Ca 0.29 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 3m8a h LEU 50 Cb 0.12 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.88 3m8a h LEU 50 CO -0.04 0.00 -0.26 0.61 0.09 0.00 0.00 178.44 178.84 3m8a n GLY 51 N 1.14 0.08 3.27 0.83 0.00 0.03 -5.03 105.19 105.51 3m8a n GLY 51 Ca 0.03 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.08 2.26 0.13 0.99 1.43 -0.02 -5.04 118.68 115.35 3m8a s LEU 52 Ca 0.09 -0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.39 3m8a s LEU 52 Cb -0.04 -1.46 -0.08 0.00 0.03 0.00 0.00 46.19 44.64 3m8a s LEU 52 CO 0.11 0.17 1.36 -0.62 0.23 0.00 0.00 176.35 177.60 3m8a s ASP 53 N 0.29 6.86 0.11 2.29 2.15 -1.26 -4.49 116.67 122.61 3m8a s ASP 53 Ca -0.15 2.32 -0.19 0.00 0.43 0.00 0.00 52.55 54.96 3m8a s ASP 53 Cb -0.17 -2.59 -0.06 0.00 -0.30 0.00 0.00 42.92 39.80 3m8a s ASP 53 CO 0.08 -0.62 1.68 0.40 -0.17 0.00 0.00 175.17 176.54 3m8a h ILE 54 N 4.17 1.14 -0.42 4.11 2.04 -1.95 -1.35 117.51 125.25 3m8a h ILE 54 Ca -0.43 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.11 3m8a h ILE 54 Cb 1.21 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 38.17 3m8a h ILE 54 CO 0.84 0.14 -0.12 -0.33 0.00 0.00 0.00 178.15 178.68 3m8a h GLU 55 N 0.27 -0.02 -0.38 2.37 5.08 -2.00 0.57 114.58 120.47 3m8a h GLU 55 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 3m8a h GLU 55 Cb 0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3m8a h GLU 55 CO -0.01 -0.02 -0.37 1.15 -1.00 0.00 0.00 179.01 178.76 3m8a h THR 56 N -0.03 1.27 -0.71 1.13 2.02 -1.97 -2.90 112.91 111.73 3m8a h THR 56 Ca 0.20 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 3m8a h THR 56 Cb 0.34 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3m8a h THR 56 CO -0.45 0.51 0.35 0.00 0.37 0.00 0.00 175.52 176.31 3m8a h ALA 57 N 0.83 1.28 -0.42 6.16 0.00 -0.61 -2.37 119.26 124.14 3m8a h ALA 57 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3m8a h ALA 57 Cb 0.95 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3m8a h ALA 57 CO 0.09 0.56 0.26 1.15 0.00 0.00 0.00 179.25 181.32 3m8a h THR 58 N 1.00 1.12 -0.83 0.00 2.02 -0.81 0.04 112.91 115.45 3m8a h THR 58 Ca 0.25 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3m8a h THR 58 Cb 0.09 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 3m8a h THR 58 CO -0.03 0.12 0.40 -0.07 0.37 0.00 0.00 175.52 176.31 3m8a h LEU 59 N 0.56 1.09 -0.25 2.58 3.38 -1.28 -0.53 115.31 120.87 3m8a h LEU 59 Ca 0.15 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3m8a h LEU 59 Cb -0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3m8a h LEU 59 CO -0.03 0.92 -0.40 0.58 0.09 0.00 0.00 178.44 179.61 3m8a h VAL 60 N 1.19 1.31 -0.84 1.22 2.07 -1.23 -2.83 116.25 117.14 3m8a h VAL 60 Ca 0.29 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.25 3m8a h VAL 60 Cb 0.12 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 3m8a h VAL 60 CO -0.04 0.51 0.55 1.23 0.02 0.00 0.00 177.57 179.84 3m8a h GLY 61 N 0.42 1.19 0.97 2.17 0.00 -0.63 -0.54 103.07 106.65 3m8a h GLY 61 Ca 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.96 3m8a h GLY 61 CO 0.09 0.34 0.36 1.70 0.00 0.00 0.00 176.54 179.03 3m8a h LYS 62 N 1.02 0.71 -0.37 4.80 3.64 -1.02 0.56 116.57 125.91 3m8a h LYS 62 Ca 0.34 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 3m8a h LYS 62 Cb 0.07 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3m8a h LYS 62 CO -0.10 0.47 -0.20 1.96 -2.27 0.00 0.00 179.45 179.30 3m8a h GLN 63 N 0.73 0.71 -0.20 1.90 4.20 -1.01 0.11 115.11 121.56 3m8a h GLN 63 Ca 0.21 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 3m8a h GLN 63 Cb -0.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3m8a h GLN 63 CO -0.06 0.86 -0.06 0.82 -0.67 0.00 0.00 178.83 179.72 3m8a h ILE 64 N 0.63 1.29 -0.29 2.54 2.04 -0.71 -1.87 117.51 121.15 3m8a h ILE 64 Ca 0.09 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 3m8a h ILE 64 Cb 0.69 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3m8a h ILE 64 CO 0.05 0.32 0.16 0.58 0.00 0.00 0.00 178.15 179.27 3m8a h VAL 65 N 0.10 1.12 -0.74 1.67 2.07 -0.75 -1.39 116.25 118.32 3m8a h VAL 65 Ca 0.05 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.37 3m8a h VAL 65 Cb 0.52 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 3m8a h VAL 65 CO 0.02 0.11 0.40 -0.33 0.02 0.00 0.00 177.57 177.79 3m8a h GLU 66 N 0.35 0.66 -0.66 1.57 5.08 -0.76 0.20 114.58 121.02 3m8a h GLU 66 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3m8a h GLU 66 Cb 0.04 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3m8a h GLU 66 CO -0.02 0.44 0.38 2.35 -1.00 0.00 0.00 179.01 181.15 3m8a h TRP 67 N 0.68 0.89 -0.31 4.33 2.91 -0.95 0.17 115.95 123.68 3m8a h TRP 67 Ca 0.36 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.34 3m8a h TRP 67 Cb 0.34 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 3m8a h TRP 67 CO -0.09 0.63 0.10 0.82 -1.03 0.00 0.00 178.44 178.87 3m8a h ILE 68 N 0.90 1.20 -0.32 2.65 2.04 -0.23 -1.74 117.51 122.01 3m8a h ILE 68 Ca 0.23 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 3m8a h ILE 68 Cb 0.02 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3m8a h ILE 68 CO -0.04 0.21 -0.11 -0.07 0.00 0.00 0.00 178.15 178.15 3m8a h LEU 69 N 0.34 0.52 -0.44 1.44 3.38 -0.39 -2.77 115.31 117.39 3m8a h LEU 69 Ca 0.10 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 3m8a h LEU 69 Cb 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3m8a h LEU 69 CO -0.00 0.66 -0.66 0.50 0.09 0.00 0.00 178.44 179.03 3m8a h LYS 70 N 0.50 0.49 -0.63 1.13 3.64 -0.90 -3.30 116.57 117.49 3m8a h LYS 70 Ca 0.09 -0.36 0.02 0.00 -1.27 0.00 0.00 60.65 59.13 3m8a h LYS 70 Cb 0.48 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 3m8a h LYS 70 CO 0.03 0.98 0.42 1.49 -2.27 0.00 0.00 179.45 180.09 3m8a h GLU 71 N 0.35 0.78 -0.02 1.90 4.57 -1.02 -3.51 114.58 117.62 3m8a h GLU 71 Ca -0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3m8a h GLU 71 Cb 1.22 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3m8a h GLU 71 CO 0.12 0.52 0.00 -0.85 -1.18 0.00 0.00 179.01 177.62