#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 0.19 0.12 7.83 2.15 -1.26 -5.08 116.67 120.63 3m8a s ASP 2 Ca 0.00 0.01 -0.19 0.00 0.43 0.00 0.00 52.55 52.80 3m8a s ASP 2 Cb 0.00 -0.11 -0.05 0.00 -0.30 0.00 0.00 42.92 42.46 3m8a s ASP 2 CO 0.00 -0.09 1.75 0.28 -0.17 0.00 0.00 175.17 176.94 3m8a h SER 3 N 7.07 0.29 -0.11 -0.34 0.02 -2.05 -2.23 113.55 116.20 3m8a h SER 3 Ca -0.41 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 3m8a h SER 3 Cb 1.14 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 3m8a h SER 3 CO 0.48 0.25 -0.11 0.78 -1.14 0.00 0.00 176.83 177.10 3m8a h ASN 4 N 0.31 0.41 -0.62 3.07 4.21 -1.98 -1.18 115.58 119.80 3m8a h ASN 4 Ca 0.09 -0.10 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 3m8a h ASN 4 Cb 0.01 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 3m8a h ASN 4 CO -0.02 0.56 0.16 0.74 -1.29 0.00 0.00 177.43 177.58 3m8a h THR 5 N 0.41 1.25 -0.22 2.81 2.02 -1.94 -0.18 112.91 117.06 3m8a h THR 5 Ca 0.08 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.27 3m8a h THR 5 Cb 0.44 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3m8a h THR 5 CO 0.02 0.34 -0.16 0.24 0.37 0.00 0.00 175.52 176.34 3m8a h MET 6 N 0.91 0.49 -0.70 6.66 2.86 -0.99 -1.85 114.93 122.31 3m8a h MET 6 Ca 0.20 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3m8a h MET 6 Cb 0.35 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3m8a h MET 6 CO 0.00 0.80 0.34 0.77 1.06 0.00 0.00 176.91 179.88 3m8a h SER 7 N 0.18 0.91 -0.76 1.22 0.02 -1.16 -1.26 113.55 112.70 3m8a h SER 7 Ca 0.04 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 3m8a h SER 7 Cb 0.68 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 3m8a h SER 7 CO 0.04 0.78 0.25 0.28 -1.14 0.00 0.00 176.83 177.05 3m8a h SER 8 N 0.97 1.09 -0.38 3.07 0.02 -1.00 -0.94 113.55 116.38 3m8a h SER 8 Ca 0.24 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3m8a h SER 8 Cb 0.11 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3m8a h SER 8 CO -0.03 1.00 0.10 0.15 -1.14 0.00 0.00 176.83 176.91 3m8a h PHE 9 N 1.12 0.63 -0.00 3.45 3.57 -1.08 -1.52 116.94 123.11 3m8a h PHE 9 Ca 0.25 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3m8a h PHE 9 Cb 0.29 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 3m8a h PHE 9 CO 0.02 0.61 0.00 1.96 -2.23 0.00 0.00 178.31 178.67 3m8a h GLN 10 N 0.47 0.01 -0.60 1.11 4.20 -0.83 -0.75 115.11 118.72 3m8a h GLN 10 Ca 0.12 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.85 3m8a h GLN 10 Cb 0.28 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3m8a h GLN 10 CO -0.00 0.12 0.38 -0.24 -0.67 0.00 0.00 178.83 178.42 3m8a h VAL 11 N -0.10 1.11 -0.60 -0.54 3.04 -1.19 -1.95 116.25 116.02 3m8a h VAL 11 Ca 0.00 -0.26 -0.04 0.00 -1.01 0.00 0.00 66.70 65.39 3m8a h VAL 11 Cb 0.11 0.27 -0.03 0.00 -2.01 0.00 0.00 31.29 29.64 3m8a h VAL 11 CO -0.00 0.14 0.21 0.44 -1.01 0.00 0.00 177.57 177.35 3m8a h ASP 12 N 0.77 0.81 -0.51 3.17 3.32 -1.16 -1.15 116.42 121.67 3m8a h ASP 12 Ca 0.23 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3m8a h ASP 12 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3m8a h ASP 12 CO -0.08 0.75 0.14 0.00 -1.72 0.00 0.00 179.24 178.33 3m8a h PHE 14 N 0.70 0.90 -0.12 0.00 3.57 -1.01 -2.23 116.94 118.76 3m8a h PHE 14 Ca 0.16 -0.30 -0.09 0.00 3.53 0.00 0.00 57.97 61.27 3m8a h PHE 14 Cb 0.31 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3m8a h PHE 14 CO 0.02 1.08 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.80 3m8a h LEU 15 N 0.57 0.23 -0.51 0.59 3.38 -1.16 -2.13 115.31 116.29 3m8a h LEU 15 Ca 0.02 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3m8a h LEU 15 Cb 1.07 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3m8a h LEU 15 CO 0.10 0.53 0.02 -0.25 0.09 0.00 0.00 178.44 178.94 3m8a h TRP 16 N 0.20 0.96 -0.78 1.13 7.01 -1.26 -2.01 115.95 121.20 3m8a h TRP 16 Ca 0.03 -0.16 0.04 0.00 2.11 0.00 0.00 58.89 60.91 3m8a h TRP 16 Cb 0.65 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.41 3m8a h TRP 16 CO 0.01 0.89 0.48 1.25 -2.79 0.00 0.00 178.44 178.28 3m8a h HIS 17 N 0.75 0.90 0.01 2.65 2.76 -0.92 0.16 115.15 121.46 3m8a h HIS 17 Ca 0.15 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3m8a h HIS 17 Cb 0.49 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.16 3m8a h HIS 17 CO 0.04 0.49 -0.00 0.82 -1.30 0.00 0.00 177.93 177.98 3m8a h ILE 18 N 0.92 1.02 -0.84 6.26 2.04 -1.12 -0.13 117.51 125.66 3m8a h ILE 18 Ca 0.32 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 66.15 3m8a h ILE 18 Cb 0.07 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3m8a h ILE 18 CO -0.13 0.02 0.55 0.03 0.00 0.00 0.00 178.15 178.62 3m8a h ARG 19 N -0.05 0.90 -0.13 2.37 3.08 -0.93 0.13 114.38 119.74 3m8a h ARG 19 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3m8a h ARG 19 Cb 0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3m8a h ARG 19 CO 0.00 0.59 0.04 -0.22 -1.07 0.00 0.00 179.97 179.31 3m8a h LYS 20 N 0.92 0.20 -0.26 0.04 1.63 -0.31 0.42 116.57 119.21 3m8a h LYS 20 Ca 0.36 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 60.18 3m8a h LYS 20 Cb 0.23 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.75 3m8a h LYS 20 CO -0.13 0.35 -0.27 0.00 -3.45 0.00 0.00 179.45 175.94 3m8a h ARG 21 N 0.02 -0.26 -0.33 1.90 2.47 -0.13 -0.33 114.38 117.72 3m8a h ARG 21 Ca 0.04 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.82 3m8a h ARG 21 Cb 0.23 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.57 3m8a h ARG 21 CO -0.00 -0.18 0.10 0.35 0.56 0.00 0.00 179.97 180.80 3m8a h PHE 22 N -0.27 0.17 -0.57 3.04 3.57 -0.66 -2.54 116.94 119.68 3m8a h PHE 22 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 3m8a h PHE 22 Cb 0.49 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3m8a h PHE 22 CO -0.43 0.07 0.16 0.00 -2.23 0.00 0.00 178.31 175.88 3m8a h ALA 23 N 1.22 1.22 0.00 2.41 0.00 -0.62 -2.06 119.26 121.43 3m8a h ALA 23 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3m8a h ALA 23 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3m8a h ALA 23 CO -0.17 0.55 -0.10 -0.44 0.00 0.00 0.00 179.25 179.09 3m8a h ASP 24 N 0.83 0.00 -0.23 0.00 3.32 -0.70 -1.48 116.42 118.16 3m8a h ASP 24 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3m8a h ASP 24 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3m8a h ASP 24 CO -0.01 0.10 0.00 0.59 -1.72 0.00 0.00 179.24 178.20 3m8a n ASN 25 N -3.55 1.51 -2.51 6.45 3.02 -0.78 -4.93 115.26 114.46 3m8a n ASN 25 Ca -0.02 -1.86 -0.18 0.00 -0.03 0.00 0.00 54.58 52.48 3m8a n ASN 25 Cb 0.23 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.01 -0.31 0.11 7.41 0.00 -0.56 -4.94 105.19 107.92 3m8a n GLY 26 Ca 0.12 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.35 1.14 -4.82 0.99 4.77 -1.16 -4.97 117.00 109.60 3m8a n LEU 27 Ca -0.10 -0.56 -0.37 0.00 -0.03 0.00 0.00 56.01 54.95 3m8a n LEU 27 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 3m8a n LEU 27 CO 0.39 0.26 0.34 -0.83 -1.33 0.00 0.00 177.39 176.21 3m8a s GLY 28 N -2.66 2.62 0.75 -0.72 0.00 -1.26 -4.99 107.32 101.06 3m8a s GLY 28 Ca 0.09 0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.84 3m8a s GLY 28 CO 0.71 0.44 1.02 2.09 0.00 0.00 0.00 173.10 177.37 3m8a n ASP 29 N 1.06 0.83 -0.03 1.64 5.68 -1.26 -4.87 116.55 119.60 3m8a n ASP 29 Ca -0.05 -1.83 -0.10 0.00 -0.50 0.00 0.00 54.79 52.31 3m8a n ASP 29 Cb 0.51 -0.71 -0.04 0.00 -1.14 0.00 0.00 41.12 39.74 3m8a n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3m8a h ALA 30 N -1.03 0.20 -0.62 2.12 0.00 -1.99 -2.27 119.26 115.67 3m8a h ALA 30 Ca -0.33 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3m8a h ALA 30 Cb 1.11 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3m8a h ALA 30 CO 0.31 -0.35 0.31 -1.35 0.00 0.00 0.00 179.25 178.17 3m8a h PRO 31 N 0.17 0.86 -0.20 0.00 0.11 -1.99 -1.25 132.00 129.71 3m8a h PRO 31 Ca 0.07 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3m8a h PRO 31 Cb 0.02 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3m8a h PRO 31 CO -0.05 0.66 0.11 0.35 -0.21 0.00 0.00 178.00 178.86 3m8a h PHE 32 N 0.87 0.27 0.00 0.65 3.57 -1.91 -1.03 116.94 119.36 3m8a h PHE 32 Ca 0.22 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3m8a h PHE 32 Cb 0.06 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3m8a h PHE 32 CO 0.01 0.24 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.11 3m8a h LEU 33 N 0.23 0.00 -0.09 0.59 3.38 -1.13 -0.51 115.31 117.78 3m8a h LEU 33 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3m8a h LEU 33 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3m8a h LEU 33 CO -0.01 0.15 -0.28 -0.78 0.09 0.00 0.00 178.44 177.61 3m8a h ASP 34 N 0.00 0.40 -0.74 -0.43 3.58 -0.80 -2.35 116.42 116.08 3m8a h ASP 34 Ca -0.00 -0.61 -0.05 0.00 0.42 0.00 0.00 57.03 56.79 3m8a h ASP 34 Cb 0.28 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3m8a h ASP 34 CO 0.02 0.94 0.26 0.03 -2.88 0.00 0.00 179.24 177.60 3m8a h ARG 35 N -0.12 1.14 -0.05 0.28 3.08 -0.91 -1.42 114.38 116.38 3m8a h ARG 35 Ca -0.01 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.82 3m8a h ARG 35 Cb 0.90 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3m8a h ARG 35 CO 0.06 0.95 -0.02 1.25 -1.07 0.00 0.00 179.97 181.14 3m8a h LEU 36 N 1.10 -0.07 -0.25 3.04 5.85 -1.10 -0.11 115.31 123.77 3m8a h LEU 36 Ca 0.24 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3m8a h LEU 36 Cb 0.27 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3m8a h LEU 36 CO -0.01 -0.03 0.15 -0.09 -0.34 0.00 0.00 178.44 178.12 3m8a h ARG 37 N -0.02 0.34 0.38 1.25 2.43 -1.26 -2.40 114.38 115.11 3m8a h ARG 37 Ca 0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3m8a h ARG 37 Cb 0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3m8a h ARG 37 CO -0.06 0.27 -0.18 -0.09 -1.51 0.00 0.00 179.97 178.40 3m8a h ARG 38 N 0.32 -0.50 -0.30 0.20 2.43 -1.16 -3.08 114.38 112.29 3m8a h ARG 38 Ca 0.09 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3m8a h ARG 38 Cb 0.01 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3m8a h ARG 38 CO -0.02 -0.27 0.18 -0.44 -1.51 0.00 0.00 179.97 177.91 3m8a h ASP 39 N -0.62 0.36 -0.57 -3.80 3.32 -1.03 -1.87 116.42 112.21 3m8a h ASP 39 Ca -0.05 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3m8a h ASP 39 Cb 0.46 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3m8a h ASP 39 CO 0.09 0.28 0.21 -0.61 -1.72 0.00 0.00 179.24 177.49 3m8a h GLN 40 N 0.42 0.87 -0.56 3.56 4.15 -1.41 0.14 115.11 122.27 3m8a h GLN 40 Ca 0.11 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.28 3m8a h GLN 40 Cb -0.01 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3m8a h GLN 40 CO -0.02 0.76 0.04 -0.22 -1.93 0.00 0.00 178.83 177.46 3m8a h LYS 41 N 0.79 0.97 -0.65 1.69 3.11 -1.36 -1.87 116.57 119.26 3m8a h LYS 41 Ca 0.19 -0.29 -0.07 0.00 -2.81 0.00 0.00 60.65 57.66 3m8a h LYS 41 Cb 0.23 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.34 3m8a h LYS 41 CO -0.01 0.96 0.11 1.03 -2.81 0.00 0.00 179.45 178.73 3m8a h SER 42 N 0.86 1.02 0.04 4.20 0.87 -1.00 -2.20 113.55 117.34 3m8a h SER 42 Ca 0.16 -0.26 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 3m8a h SER 42 Cb 0.49 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3m8a h SER 42 CO 0.02 1.02 -0.47 -0.07 -0.53 0.00 0.00 176.83 176.80 3m8a h LEU 43 N 0.98 0.54 -0.61 2.23 3.38 -0.62 -0.86 115.31 120.35 3m8a h LEU 43 Ca 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3m8a h LEU 43 Cb 0.43 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3m8a h LEU 43 CO 0.01 0.93 0.26 0.11 0.09 0.00 0.00 178.44 179.84 3m8a h LYS 44 N 0.40 0.91 -0.18 1.13 1.57 -1.22 -0.10 116.57 119.07 3m8a h LYS 44 Ca 0.02 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3m8a h LYS 44 Cb 0.98 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3m8a h LYS 44 CO 0.09 0.76 0.06 0.78 -0.57 0.00 0.00 179.45 180.57 3m8a h GLY 45 N 0.85 0.30 0.97 3.86 0.00 -1.20 -1.99 103.07 105.87 3m8a h GLY 45 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3m8a h GLY 45 CO -0.02 0.16 0.24 3.21 0.00 0.00 0.00 176.54 180.13 3m8a h ARG 46 N 0.13 0.69 -0.87 4.80 3.08 -1.01 -2.12 114.38 119.07 3m8a h ARG 46 Ca 0.06 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3m8a h ARG 46 Cb 0.21 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3m8a h ARG 46 CO -0.00 0.57 0.58 0.78 -1.07 0.00 0.00 179.97 180.83 3m8a h GLY 47 N 0.63 1.22 0.89 0.04 0.00 -0.96 -1.29 103.07 103.60 3m8a h GLY 47 Ca 0.17 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3m8a h GLY 47 CO -0.02 0.45 0.08 -0.57 0.00 0.00 0.00 176.54 176.48 3m8a h ASN 48 N 1.18 0.31 -0.44 0.19 -1.24 -1.11 0.97 115.58 115.44 3m8a h ASN 48 Ca 0.32 -0.18 0.01 0.00 0.71 0.00 0.00 56.30 57.16 3m8a h ASN 48 Cb -0.14 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 3m8a h ASN 48 CO -0.07 0.40 0.29 0.74 -1.29 0.00 0.00 177.43 177.50 3m8a h THR 49 N 0.20 1.09 0.00 -3.57 2.02 -1.17 -2.90 112.91 108.59 3m8a h THR 49 Ca 0.07 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3m8a h THR 49 Cb 0.19 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3m8a h THR 49 CO -0.01 0.11 -0.04 0.18 0.37 0.00 0.00 175.52 176.13 3m8a n LEU 50 N -4.79 0.80 -1.18 2.58 4.77 -0.51 -4.93 117.00 113.74 3m8a n LEU 50 Ca 0.02 0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 56.46 3m8a n LEU 50 Cb 0.03 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3m8a n LEU 50 CO 0.34 -0.17 -0.08 0.61 -1.33 0.00 0.00 177.39 176.76 3m8a n GLY 51 N 1.31 0.05 3.36 -0.72 0.00 -0.17 -5.04 105.19 103.99 3m8a n GLY 51 Ca 0.05 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.82 2.52 0.15 0.99 1.43 0.16 -5.03 118.68 116.09 3m8a s LEU 52 Ca 0.04 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 3m8a s LEU 52 Cb -0.02 -1.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.60 3m8a s LEU 52 CO 0.05 0.23 1.22 -0.62 0.23 0.00 0.00 176.35 177.46 3m8a s ASP 53 N -0.06 7.06 0.12 2.29 2.15 -1.26 -4.42 116.67 122.54 3m8a s ASP 53 Ca -0.04 2.20 -0.16 0.00 0.43 0.00 0.00 52.55 54.98 3m8a s ASP 53 Cb -0.14 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.86 3m8a s ASP 53 CO 0.04 -0.42 1.61 0.40 -0.17 0.00 0.00 175.17 176.63 3m8a h ILE 54 N 3.97 1.24 -0.19 4.11 2.04 -1.95 -2.10 117.51 124.63 3m8a h ILE 54 Ca -0.44 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 64.64 3m8a h ILE 54 Cb 1.21 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 3m8a h ILE 54 CO 0.77 0.29 -0.14 -0.08 0.00 0.00 0.00 178.15 178.98 3m8a h GLU 55 N 0.49 -0.14 -0.09 2.37 4.81 -1.99 0.12 114.58 120.14 3m8a h GLU 55 Ca 0.12 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 3m8a h GLU 55 Cb 0.35 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3m8a h GLU 55 CO 0.01 -0.09 -0.58 1.79 -0.73 0.00 0.00 179.01 179.40 3m8a h THR 56 N -0.15 1.37 -0.56 0.32 1.35 -1.98 -2.95 112.91 110.32 3m8a h THR 56 Ca 0.11 -1.92 -0.07 0.00 -0.55 0.00 0.00 66.41 63.98 3m8a h THR 56 Cb 0.32 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 3m8a h THR 56 CO -0.28 0.57 0.07 0.00 -0.25 0.00 0.00 175.52 175.63 3m8a h ALA 57 N 1.18 1.07 -0.63 6.62 0.00 -0.86 -2.59 119.26 124.04 3m8a h ALA 57 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3m8a h ALA 57 Cb 1.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3m8a h ALA 57 CO 0.09 0.60 0.36 1.15 0.00 0.00 0.00 179.25 181.45 3m8a h THR 58 N 0.86 1.19 -0.71 0.00 2.02 -0.69 0.14 112.91 115.73 3m8a h THR 58 Ca 0.17 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 3m8a h THR 58 Cb 0.41 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3m8a h THR 58 CO 0.01 0.21 0.22 -0.07 0.37 0.00 0.00 175.52 176.26 3m8a h LEU 59 N 0.86 1.02 -0.10 2.58 3.38 -1.34 -0.07 115.31 121.64 3m8a h LEU 59 Ca 0.22 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3m8a h LEU 59 Cb 0.01 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.50 3m8a h LEU 59 CO -0.04 0.95 -0.55 0.58 0.09 0.00 0.00 178.44 179.48 3m8a h VAL 60 N 1.05 1.36 -1.00 1.22 2.07 -1.21 -2.97 116.25 116.78 3m8a h VAL 60 Ca 0.23 -1.87 0.11 0.00 0.82 0.00 0.00 66.70 65.99 3m8a h VAL 60 Cb 0.30 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.19 3m8a h VAL 60 CO -0.01 0.56 0.64 1.23 0.02 0.00 0.00 177.57 180.01 3m8a h GLY 61 N 0.16 1.60 0.74 2.17 0.00 -0.52 -0.19 103.07 107.03 3m8a h GLY 61 Ca -0.04 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 46.90 3m8a h GLY 61 CO 0.11 0.21 0.27 1.70 0.00 0.00 0.00 176.54 178.83 3m8a h LYS 62 N 1.03 0.51 -0.18 4.80 3.64 -0.95 0.13 116.57 125.55 3m8a h LYS 62 Ca 0.48 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.65 3m8a h LYS 62 Cb 0.41 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3m8a h LYS 62 CO -0.24 0.34 -0.60 1.96 -2.27 0.00 0.00 179.45 178.65 3m8a h GLN 63 N 0.53 0.60 -0.38 1.90 4.20 -1.15 0.27 115.11 121.07 3m8a h GLN 63 Ca 0.23 -0.40 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 3m8a h GLN 63 Cb 0.12 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3m8a h GLN 63 CO -0.15 1.02 0.08 0.82 -0.67 0.00 0.00 178.83 179.93 3m8a h ILE 64 N 0.45 1.23 -0.46 2.54 2.04 -0.69 -1.29 117.51 121.33 3m8a h ILE 64 Ca -0.00 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 3m8a h ILE 64 Cb 1.16 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3m8a h ILE 64 CO 0.11 0.28 0.13 0.58 0.00 0.00 0.00 178.15 179.25 3m8a h VAL 65 N 0.47 1.23 -0.73 1.67 2.07 -0.88 -1.13 116.25 118.94 3m8a h VAL 65 Ca 0.12 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3m8a h VAL 65 Cb 0.33 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3m8a h VAL 65 CO 0.00 0.28 0.45 -0.33 0.02 0.00 0.00 177.57 177.99 3m8a h GLU 66 N 0.61 0.83 -0.83 1.57 5.08 -0.83 0.29 114.58 121.31 3m8a h GLU 66 Ca 0.15 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3m8a h GLU 66 Cb 0.29 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3m8a h GLU 66 CO -0.00 0.55 0.37 2.35 -1.00 0.00 0.00 179.01 181.28 3m8a h TRP 67 N 0.86 1.22 0.08 4.33 2.91 -0.95 0.33 115.95 124.73 3m8a h TRP 67 Ca 0.30 -0.07 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 3m8a h TRP 67 Cb 0.08 -0.37 0.00 0.00 -0.51 0.00 0.00 29.16 28.35 3m8a h TRP 67 CO -0.05 0.90 -0.04 0.82 -1.03 0.00 0.00 178.44 179.05 3m8a h ILE 68 N 1.19 1.13 -0.30 2.65 2.04 -0.10 -2.78 117.51 121.34 3m8a h ILE 68 Ca 0.28 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 3m8a h ILE 68 Cb 0.16 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3m8a h ILE 68 CO -0.03 0.19 -0.16 -0.07 0.00 0.00 0.00 178.15 178.08 3m8a h LEU 69 N -0.46 0.51 -0.96 1.44 3.38 -0.37 -2.78 115.31 116.08 3m8a h LEU 69 Ca -0.01 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3m8a h LEU 69 Cb 0.39 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3m8a h LEU 69 CO 0.02 0.70 -0.12 0.50 0.09 0.00 0.00 178.44 179.62 3m8a h LYS 70 N 0.48 0.62 0.00 1.13 3.64 -0.99 -2.57 116.57 118.88 3m8a h LYS 70 Ca 0.08 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3m8a h LYS 70 Cb 0.56 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3m8a h LYS 70 CO 0.04 0.73 -0.03 1.49 -2.27 0.00 0.00 179.45 179.40 3m8a h GLU 71 N 0.57 0.00 -0.02 1.90 4.81 -1.21 -3.51 114.58 117.12 3m8a h GLU 71 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3m8a h GLU 71 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3m8a h GLU 71 CO 0.03 0.03 0.00 0.39 -0.73 0.00 0.00 179.01 178.74