#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8a s ASP 2 N 0.00 0.45 0.31 6.12 1.01 -1.26 -5.07 116.67 118.22 3m8a s ASP 2 Ca 0.00 -0.05 0.05 0.00 0.71 0.00 0.00 52.55 53.26 3m8a s ASP 2 Cb 0.00 -0.17 0.50 0.00 1.01 0.00 0.00 42.92 44.26 3m8a s ASP 2 CO 0.00 -0.04 1.76 0.77 0.21 0.00 0.00 175.17 177.87 3m8a h SER 3 N 6.81 0.37 0.53 0.27 4.64 -2.05 -2.11 113.55 122.00 3m8a h SER 3 Ca -0.37 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 3m8a h SER 3 Cb 1.16 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3m8a h SER 3 CO 0.49 0.63 -0.45 0.78 -0.87 0.00 0.00 176.83 177.41 3m8a h ASN 4 N 0.33 0.00 -0.28 4.97 4.21 -1.98 -0.03 115.58 122.80 3m8a h ASN 4 Ca 0.05 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.38 3m8a h ASN 4 Cb 0.64 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 3m8a h ASN 4 CO 0.05 0.45 -0.53 0.74 -1.29 0.00 0.00 177.43 176.85 3m8a h THR 5 N 0.00 1.28 -0.18 2.81 2.02 -1.92 -1.50 112.91 115.43 3m8a h THR 5 Ca -0.00 -1.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.41 3m8a h THR 5 Cb 0.84 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3m8a h THR 5 CO 0.06 0.56 -0.09 0.24 0.37 0.00 0.00 175.52 176.66 3m8a h MET 6 N 0.62 0.37 0.00 6.66 2.86 -0.97 -1.47 114.93 122.99 3m8a h MET 6 Ca 0.01 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 3m8a h MET 6 Cb 1.14 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 3m8a h MET 6 CO 0.12 0.68 -0.34 0.66 1.06 0.00 0.00 176.91 179.09 3m8a h SER 7 N 0.06 0.00 0.02 1.22 4.64 -1.03 -1.13 113.55 117.33 3m8a h SER 7 Ca 0.04 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 3m8a h SER 7 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3m8a h SER 7 CO 0.03 0.34 -0.57 0.28 -0.87 0.00 0.00 176.83 176.03 3m8a h SER 8 N 0.00 0.64 -0.38 4.97 0.02 -1.14 -1.92 113.55 115.74 3m8a h SER 8 Ca -0.00 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.52 3m8a h SER 8 Cb 0.64 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3m8a h SER 8 CO 0.04 1.07 -0.06 0.15 -1.14 0.00 0.00 176.83 176.90 3m8a h PHE 9 N 0.43 0.79 -0.30 3.45 3.57 -0.91 -1.84 116.94 122.12 3m8a h PHE 9 Ca 0.00 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 3m8a h PHE 9 Cb 1.12 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3m8a h PHE 9 CO 0.05 0.83 0.14 1.96 -2.23 0.00 0.00 178.31 179.06 3m8a h GLN 10 N 0.52 0.44 -0.56 1.11 4.20 -1.09 -0.92 115.11 118.79 3m8a h GLN 10 Ca 0.10 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 3m8a h GLN 10 Cb 0.56 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3m8a h GLN 10 CO 0.03 0.43 0.01 -0.24 -0.67 0.00 0.00 178.83 178.39 3m8a h VAL 11 N 0.35 1.26 -0.55 -0.54 3.04 -1.36 -2.35 116.25 116.11 3m8a h VAL 11 Ca 0.10 -1.10 -0.07 0.00 -1.01 0.00 0.00 66.70 64.62 3m8a h VAL 11 Cb 0.13 0.86 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 3m8a h VAL 11 CO -0.01 0.40 0.08 0.44 -1.01 0.00 0.00 177.57 177.47 3m8a h ASP 12 N 0.87 0.84 -0.24 3.17 3.32 -1.24 0.40 116.42 123.54 3m8a h ASP 12 Ca 0.16 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3m8a h ASP 12 Cb 0.53 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3m8a h ASP 12 CO 0.03 0.85 0.12 0.00 -1.72 0.00 0.00 179.24 178.52 3m8a h PHE 14 N 0.27 1.11 -0.30 0.00 3.57 -1.14 -1.77 116.94 118.67 3m8a h PHE 14 Ca 0.08 -0.35 -0.08 0.00 3.53 0.00 0.00 57.97 61.16 3m8a h PHE 14 Cb 0.11 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3m8a h PHE 14 CO -0.03 1.17 -0.15 -0.07 -2.23 0.00 0.00 178.31 177.01 3m8a h LEU 15 N 0.74 0.51 -0.84 0.59 3.38 -0.83 -1.12 115.31 117.75 3m8a h LEU 15 Ca 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3m8a h LEU 15 Cb 1.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3m8a h LEU 15 CO 0.10 0.69 0.40 -0.25 0.09 0.00 0.00 178.44 179.47 3m8a h TRP 16 N 0.48 1.21 -0.73 1.13 7.01 -0.81 -1.88 115.95 122.36 3m8a h TRP 16 Ca 0.08 -0.06 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 3m8a h TRP 16 Cb 0.54 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 3m8a h TRP 16 CO 0.02 0.88 0.22 1.25 -2.79 0.00 0.00 178.44 178.01 3m8a h HIS 17 N 1.19 1.17 -0.33 2.65 2.76 -0.58 -0.39 115.15 121.62 3m8a h HIS 17 Ca 0.29 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3m8a h HIS 17 Cb 0.13 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 3m8a h HIS 17 CO 0.01 0.93 0.16 0.82 -1.30 0.00 0.00 177.93 178.55 3m8a h ILE 18 N 1.08 1.16 -0.61 6.26 2.04 -0.85 -2.28 117.51 124.32 3m8a h ILE 18 Ca 0.23 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3m8a h ILE 18 Cb 0.31 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3m8a h ILE 18 CO -0.01 0.17 0.31 0.03 0.00 0.00 0.00 178.15 178.65 3m8a h ARG 19 N 0.39 0.85 -0.53 2.37 3.08 -1.05 -0.74 114.38 118.75 3m8a h ARG 19 Ca 0.11 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3m8a h ARG 19 Cb 0.12 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3m8a h ARG 19 CO -0.01 0.65 0.15 -0.22 -1.07 0.00 0.00 179.97 179.46 3m8a h LYS 20 N 0.86 0.84 -0.42 0.04 3.64 -0.86 -0.00 116.57 120.66 3m8a h LYS 20 Ca 0.22 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 3m8a h LYS 20 Cb 0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3m8a h LYS 20 CO -0.03 0.78 -0.19 0.00 -2.27 0.00 0.00 179.45 177.74 3m8a h ARG 21 N 0.73 0.86 -0.55 1.90 3.08 -0.95 -0.04 114.38 119.41 3m8a h ARG 21 Ca 0.17 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 59.87 3m8a h ARG 21 Cb 0.31 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3m8a h ARG 21 CO -0.00 1.01 0.34 0.35 -1.07 0.00 0.00 179.97 180.61 3m8a h PHE 22 N 0.68 0.65 -0.47 3.04 3.57 -1.05 -1.25 116.94 122.10 3m8a h PHE 22 Ca 0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3m8a h PHE 22 Cb 0.75 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3m8a h PHE 22 CO 0.06 0.38 0.10 0.00 -2.23 0.00 0.00 178.31 176.61 3m8a h ALA 23 N 1.23 0.62 -0.81 2.41 0.00 -0.72 -2.79 119.26 119.20 3m8a h ALA 23 Ca 0.22 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3m8a h ALA 23 Cb -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3m8a h ALA 23 CO -0.08 0.33 0.53 -0.44 0.00 0.00 0.00 179.25 179.59 3m8a h ASP 24 N 0.64 0.81 0.20 0.00 3.32 -0.65 -1.28 116.42 119.46 3m8a h ASP 24 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3m8a h ASP 24 Cb 0.35 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3m8a h ASP 24 CO 0.00 0.53 0.00 0.59 -1.72 0.00 0.00 179.24 178.65 3m8a n ASN 25 N -4.47 0.00 0.00 6.45 3.02 -0.50 -4.89 115.26 114.86 3m8a n ASN 25 Ca 0.12 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3m8a n ASN 25 Cb 0.18 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.42 0.41 0.28 7.41 0.00 -0.48 -4.97 105.19 108.25 3m8a n GLY 26 Ca 0.13 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 1.37 -4.82 0.99 4.77 -1.12 -4.94 117.00 113.24 3m8a n LEU 27 Ca 0.00 -0.47 -0.37 0.00 -0.03 0.00 0.00 56.01 55.14 3m8a n LEU 27 Cb 0.04 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3m8a n LEU 27 CO 0.00 0.27 0.31 -0.83 -1.33 0.00 0.00 177.39 175.81 3m8a s GLY 28 N -2.64 2.59 0.55 -0.72 0.00 -1.26 -5.00 107.32 100.84 3m8a s GLY 28 Ca 0.18 0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.95 3m8a s GLY 28 CO 0.62 0.38 0.76 0.51 0.00 0.00 0.00 173.10 175.38 3m8a s ASP 29 N -1.49 5.24 0.20 1.64 1.47 -1.26 -4.87 116.67 117.60 3m8a s ASP 29 Ca 0.36 -0.15 -0.12 0.00 1.18 0.00 0.00 52.55 53.83 3m8a s ASP 29 Cb -0.17 -0.70 0.26 0.00 -0.34 0.00 0.00 42.92 41.96 3m8a s ASP 29 CO 0.20 -1.16 1.68 0.00 0.68 0.00 0.00 175.17 176.57 3m8a h ALA 30 N 0.11 0.57 -0.78 2.11 0.00 -1.99 -1.51 119.26 117.78 3m8a h ALA 30 Ca -0.41 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3m8a h ALA 30 Cb 1.29 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 3m8a h ALA 30 CO 0.49 -0.38 0.43 -1.35 0.00 0.00 0.00 179.25 178.45 3m8a h PRO 31 N 0.14 1.07 -0.59 0.00 0.11 -1.99 -1.12 132.00 129.62 3m8a h PRO 31 Ca 0.30 -0.11 0.02 0.00 0.11 0.00 0.00 66.00 66.31 3m8a h PRO 31 Cb 0.46 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 3m8a h PRO 31 CO -0.47 0.78 0.38 0.35 -0.21 0.00 0.00 178.00 178.83 3m8a h PHE 32 N 1.08 0.71 -0.19 0.65 3.57 -1.73 -1.22 116.94 119.81 3m8a h PHE 32 Ca 0.27 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 3m8a h PHE 32 Cb 0.01 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3m8a h PHE 32 CO 0.01 0.42 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.20 3m8a h LEU 33 N 0.75 0.35 -0.37 0.59 3.38 -0.86 -0.93 115.31 118.22 3m8a h LEU 33 Ca 0.23 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3m8a h LEU 33 Cb -0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3m8a h LEU 33 CO -0.08 0.59 0.03 -0.78 0.09 0.00 0.00 178.44 178.30 3m8a h ASP 34 N 0.31 0.62 -0.47 -0.43 3.58 -0.72 -1.87 116.42 117.44 3m8a h ASP 34 Ca 0.05 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.19 3m8a h ASP 34 Cb 0.60 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3m8a h ASP 34 CO 0.04 0.75 0.21 0.03 -2.88 0.00 0.00 179.24 177.39 3m8a h ARG 35 N 0.47 0.73 -0.49 0.28 3.08 -0.95 -1.14 114.38 116.36 3m8a h ARG 35 Ca 0.11 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3m8a h ARG 35 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3m8a h ARG 35 CO 0.01 0.60 0.28 1.25 -1.07 0.00 0.00 179.97 181.04 3m8a h LEU 36 N 0.73 0.61 0.04 3.04 5.85 -0.96 0.08 115.31 124.70 3m8a h LEU 36 Ca 0.18 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3m8a h LEU 36 Cb 0.14 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3m8a h LEU 36 CO -0.02 0.51 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.49 3m8a h ARG 37 N 0.65 -0.05 -0.71 1.25 2.43 -0.93 -1.62 114.38 115.40 3m8a h ARG 37 Ca 0.17 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.47 3m8a h ARG 37 Cb 0.04 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.51 3m8a h ARG 37 CO -0.03 0.25 0.26 -0.09 -1.51 0.00 0.00 179.97 178.85 3m8a h ARG 38 N -0.36 0.40 -0.05 0.20 2.43 -1.14 -2.68 114.38 113.19 3m8a h ARG 38 Ca -0.01 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 3m8a h ARG 38 Cb 0.33 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3m8a h ARG 38 CO 0.01 0.27 -0.63 -0.44 -1.51 0.00 0.00 179.97 177.67 3m8a h ASP 39 N 0.42 0.23 -0.15 -3.80 3.32 -0.90 -2.37 116.42 113.17 3m8a h ASP 39 Ca 0.38 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3m8a h ASP 39 Cb 0.55 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3m8a h ASP 39 CO -0.38 0.80 0.09 -0.61 -1.72 0.00 0.00 179.24 177.41 3m8a h GLN 40 N 0.14 0.20 -0.22 3.56 4.15 -0.99 -0.16 115.11 121.79 3m8a h GLN 40 Ca -0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3m8a h GLN 40 Cb 1.14 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 3m8a h GLN 40 CO 0.09 0.19 0.12 0.87 -1.93 0.00 0.00 178.83 178.17 3m8a h LYS 41 N 0.16 0.31 -0.63 1.69 1.57 -1.43 -1.62 116.57 116.62 3m8a h LYS 41 Ca 0.05 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3m8a h LYS 41 Cb 0.04 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3m8a h LYS 41 CO -0.01 0.30 0.41 1.03 -0.57 0.00 0.00 179.45 180.61 3m8a h SER 42 N 0.25 0.71 -0.34 0.86 0.87 -1.32 -1.72 113.55 112.85 3m8a h SER 42 Ca 0.08 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 3m8a h SER 42 Cb 0.08 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 3m8a h SER 42 CO -0.01 0.51 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.63 3m8a h LEU 43 N 0.84 0.76 -0.07 2.23 3.38 -0.90 0.77 115.31 122.32 3m8a h LEU 43 Ca 0.24 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3m8a h LEU 43 Cb -0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3m8a h LEU 43 CO -0.06 0.88 -0.00 0.11 0.09 0.00 0.00 178.44 179.46 3m8a h LYS 44 N 0.70 0.02 -0.37 1.13 1.57 -0.95 0.81 116.57 119.48 3m8a h LYS 44 Ca 0.12 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3m8a h LYS 44 Cb 0.57 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3m8a h LYS 44 CO 0.04 0.01 0.21 0.78 -0.57 0.00 0.00 179.45 179.91 3m8a h GLY 45 N 0.02 0.51 1.03 3.86 0.00 -1.09 -1.97 103.07 105.43 3m8a h GLY 45 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3m8a h GLY 45 CO -0.06 0.13 0.19 3.21 0.00 0.00 0.00 176.54 180.01 3m8a h ARG 46 N 0.42 1.02 -0.36 4.80 3.08 -0.64 -1.88 114.38 120.83 3m8a h ARG 46 Ca 0.15 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3m8a h ARG 46 Cb 0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3m8a h ARG 46 CO -0.08 0.90 0.18 0.78 -1.07 0.00 0.00 179.97 180.68 3m8a h GLY 47 N 0.95 0.55 0.96 0.04 0.00 -0.56 -1.55 103.07 103.46 3m8a h GLY 47 Ca 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3m8a h GLY 47 CO -0.00 0.25 -0.10 -0.57 0.00 0.00 0.00 176.54 176.12 3m8a h ASN 48 N 0.45 -0.25 -0.79 0.19 -1.24 -1.28 0.29 115.58 112.96 3m8a h ASN 48 Ca 0.12 0.01 0.08 0.00 0.71 0.00 0.00 56.30 57.23 3m8a h ASN 48 Cb 0.10 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.16 3m8a h ASN 48 CO -0.02 -0.16 0.45 0.74 -1.29 0.00 0.00 177.43 177.15 3m8a h THR 49 N -0.26 0.94 0.00 -3.57 2.02 -1.22 -2.71 112.91 108.11 3m8a h THR 49 Ca -0.02 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3m8a h THR 49 Cb 0.21 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3m8a h THR 49 CO 0.02 0.14 -0.40 -0.07 0.37 0.00 0.00 175.52 175.58 3m8a h LEU 50 N 0.79 0.00 0.65 2.58 3.38 -1.09 -3.48 115.31 118.13 3m8a h LEU 50 Ca 0.37 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 3m8a h LEU 50 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3m8a h LEU 50 CO -0.22 0.06 -0.16 0.61 0.09 0.00 0.00 178.44 178.81 3m8a n GLY 51 N 1.30 0.17 3.32 0.83 0.00 -0.05 -5.04 105.19 105.72 3m8a n GLY 51 Ca 0.04 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.93 2.23 0.06 0.99 1.43 -0.37 -5.04 118.68 116.06 3m8a s LEU 52 Ca 0.02 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 3m8a s LEU 52 Cb -0.01 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 3m8a s LEU 52 CO 0.03 0.28 1.07 -0.62 0.23 0.00 0.00 176.35 177.34 3m8a s ASP 53 N -0.35 7.27 0.23 2.29 2.15 -1.26 -4.45 116.67 122.55 3m8a s ASP 53 Ca 0.02 1.86 -0.07 0.00 0.43 0.00 0.00 52.55 54.79 3m8a s ASP 53 Cb -0.12 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 40.17 3m8a s ASP 53 CO 0.02 -0.30 1.88 0.40 -0.17 0.00 0.00 175.17 177.00 3m8a h ILE 54 N 4.45 1.15 0.05 4.11 2.04 -1.95 -2.04 117.51 125.32 3m8a h ILE 54 Ca -0.42 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.08 3m8a h ILE 54 Cb 1.22 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3m8a h ILE 54 CO 0.76 0.20 -0.10 -0.33 0.00 0.00 0.00 178.15 178.68 3m8a h GLU 55 N 1.08 -0.19 -0.05 2.37 4.39 -1.99 0.74 114.58 120.92 3m8a h GLU 55 Ca 0.34 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.87 3m8a h GLU 55 Cb -0.01 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3m8a h GLU 55 CO -0.11 -0.13 -0.74 0.00 -1.16 0.00 0.00 179.01 176.87 3m8a h THR 56 N -0.20 1.41 -0.80 1.13 1.03 -1.98 -2.86 112.91 110.63 3m8a h THR 56 Ca 0.02 -2.22 -0.01 0.00 -0.01 0.00 0.00 66.41 64.19 3m8a h THR 56 Cb 0.22 2.18 -0.04 0.00 -1.07 0.00 0.00 68.15 69.44 3m8a h THR 56 CO -0.07 0.66 0.46 0.00 -0.01 0.00 0.00 175.52 176.56 3m8a h ALA 57 N 1.00 1.30 -0.77 0.00 0.00 -1.12 -0.61 119.26 119.07 3m8a h ALA 57 Ca -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3m8a h ALA 57 Cb 1.31 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3m8a h ALA 57 CO 0.12 0.59 0.35 1.15 0.00 0.00 0.00 179.25 181.46 3m8a h THR 58 N 1.11 1.25 -0.55 0.00 2.02 -0.81 0.96 112.91 116.89 3m8a h THR 58 Ca 0.29 -0.72 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 3m8a h THR 58 Cb -0.01 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 3m8a h THR 58 CO -0.05 0.30 -0.04 -0.07 0.37 0.00 0.00 175.52 176.03 3m8a h LEU 59 N 1.09 0.96 -0.29 2.58 3.38 -1.12 -0.58 115.31 121.33 3m8a h LEU 59 Ca 0.26 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3m8a h LEU 59 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3m8a h LEU 59 CO -0.03 1.04 -0.14 0.58 0.09 0.00 0.00 178.44 179.98 3m8a h VAL 60 N 0.89 1.29 -0.93 1.22 2.07 -0.71 -2.99 116.25 117.10 3m8a h VAL 60 Ca 0.15 -1.24 0.14 0.00 0.82 0.00 0.00 66.70 66.57 3m8a h VAL 60 Cb 0.58 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.76 3m8a h VAL 60 CO 0.03 0.40 0.59 1.23 0.02 0.00 0.00 177.57 179.84 3m8a h GLY 61 N 0.36 1.36 1.00 2.17 0.00 -0.50 -0.78 103.07 106.67 3m8a h GLY 61 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3m8a h GLY 61 CO 0.04 0.11 0.26 1.70 0.00 0.00 0.00 176.54 178.65 3m8a h LYS 62 N 0.79 0.52 -0.55 4.80 3.64 -0.99 0.86 116.57 125.64 3m8a h LYS 62 Ca 0.47 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.70 3m8a h LYS 62 Cb 0.65 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3m8a h LYS 62 CO -0.23 0.35 -0.10 1.96 -2.27 0.00 0.00 179.45 179.17 3m8a h GLN 63 N 0.53 1.02 -0.06 1.90 4.20 -1.11 0.11 115.11 121.70 3m8a h GLN 63 Ca 0.14 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3m8a h GLN 63 Cb -0.05 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3m8a h GLN 63 CO -0.03 1.06 0.02 0.82 -0.67 0.00 0.00 178.83 180.02 3m8a h ILE 64 N 0.91 1.17 -0.68 2.54 2.04 -0.95 -1.88 117.51 120.67 3m8a h ILE 64 Ca 0.14 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 3m8a h ILE 64 Cb 0.66 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 3m8a h ILE 64 CO 0.05 0.15 0.27 0.58 0.00 0.00 0.00 178.15 179.19 3m8a h VAL 65 N -0.10 1.24 -0.76 1.67 2.07 -0.68 -1.46 116.25 118.23 3m8a h VAL 65 Ca 0.02 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.78 3m8a h VAL 65 Cb 0.22 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3m8a h VAL 65 CO -0.00 0.31 0.50 -0.33 0.02 0.00 0.00 177.57 178.06 3m8a h GLU 66 N 0.97 0.96 -0.32 1.57 5.08 -0.73 0.88 114.58 122.99 3m8a h GLU 66 Ca 0.23 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3m8a h GLU 66 Cb 0.22 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3m8a h GLU 66 CO -0.02 0.64 0.19 2.35 -1.00 0.00 0.00 179.01 181.16 3m8a h TRP 67 N 0.99 0.44 -0.30 4.33 7.01 -1.04 -1.10 115.95 126.27 3m8a h TRP 67 Ca 0.29 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 3m8a h TRP 67 Cb -0.05 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.86 3m8a h TRP 67 CO -0.03 0.34 0.17 0.82 -2.79 0.00 0.00 178.44 176.95 3m8a h ILE 68 N 0.41 1.13 -0.15 2.65 2.04 -0.63 -1.62 117.51 121.33 3m8a h ILE 68 Ca 0.11 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 3m8a h ILE 68 Cb 0.04 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3m8a h ILE 68 CO -0.02 0.13 -0.29 -0.07 0.00 0.00 0.00 178.15 177.90 3m8a h LEU 69 N 0.37 0.29 -0.36 1.44 3.38 -0.70 -2.95 115.31 116.77 3m8a h LEU 69 Ca 0.11 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3m8a h LEU 69 Cb 0.05 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3m8a h LEU 69 CO -0.02 0.58 -0.52 0.50 0.09 0.00 0.00 178.44 179.07 3m8a h LYS 70 N 0.26 0.82 0.00 1.13 3.64 -1.01 -3.51 116.57 117.90 3m8a h LYS 70 Ca 0.04 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3m8a h LYS 70 Cb 0.65 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3m8a h LYS 70 CO 0.05 1.14 0.00 0.39 -2.27 0.00 0.00 179.45 178.75