#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 0.05 0.17 7.83 2.15 -1.26 -5.06 116.67 120.56 3m8a s ASP 2 Ca 0.00 0.53 -0.09 0.00 0.43 0.00 0.00 52.55 53.42 3m8a s ASP 2 Cb 0.00 0.50 0.05 0.00 -0.30 0.00 0.00 42.92 43.17 3m8a s ASP 2 CO 0.00 -0.20 1.56 0.77 -0.17 0.00 0.00 175.17 177.13 3m8a h SER 3 N 7.70 0.96 -0.88 -0.34 4.64 -2.05 -1.61 113.55 121.97 3m8a h SER 3 Ca -0.29 -0.37 0.02 0.00 -0.47 0.00 0.00 61.79 60.68 3m8a h SER 3 Cb 1.14 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 3m8a h SER 3 CO 0.27 1.15 0.58 0.78 -0.87 0.00 0.00 176.83 178.74 3m8a h ASN 4 N 0.80 0.98 -0.79 4.97 4.21 -1.98 0.91 115.58 124.67 3m8a h ASN 4 Ca 0.10 -0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.61 3m8a h ASN 4 Cb 0.81 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.73 3m8a h ASN 4 CO 0.07 0.69 0.52 0.74 -1.29 0.00 0.00 177.43 178.16 3m8a h THR 5 N 1.14 1.17 -0.14 2.81 2.02 -1.85 0.64 112.91 118.71 3m8a h THR 5 Ca 0.34 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 3m8a h THR 5 Cb -0.05 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 3m8a h THR 5 CO -0.09 0.19 -0.43 0.24 0.37 0.00 0.00 175.52 175.80 3m8a h MET 6 N 1.04 0.54 -0.87 6.66 2.86 -0.56 -1.86 114.93 122.74 3m8a h MET 6 Ca 0.30 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3m8a h MET 6 Cb -0.08 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 3m8a h MET 6 CO -0.08 1.01 0.45 0.77 1.06 0.00 0.00 176.91 180.12 3m8a h SER 7 N 0.16 1.11 -0.23 1.22 0.02 -0.67 -1.51 113.55 113.65 3m8a h SER 7 Ca -0.01 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 3m8a h SER 7 Cb 1.06 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3m8a h SER 7 CO 0.09 0.91 -0.15 0.28 -1.14 0.00 0.00 176.83 176.82 3m8a h SER 8 N 1.23 0.65 -0.42 3.07 0.02 -0.84 -1.59 113.55 115.66 3m8a h SER 8 Ca 0.30 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 3m8a h SER 8 Cb 0.07 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3m8a h SER 8 CO -0.04 0.81 -0.13 0.15 -1.14 0.00 0.00 176.83 176.47 3m8a h PHE 9 N 0.59 0.94 -0.12 3.45 3.57 -1.01 -2.01 116.94 122.34 3m8a h PHE 9 Ca 0.10 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3m8a h PHE 9 Cb 0.59 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3m8a h PHE 9 CO 0.03 0.96 0.06 1.96 -2.23 0.00 0.00 178.31 179.08 3m8a h GLN 10 N 0.65 0.18 -0.45 1.11 4.20 -1.08 -1.31 115.11 118.41 3m8a h GLN 10 Ca 0.10 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 3m8a h GLN 10 Cb 0.68 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3m8a h GLN 10 CO 0.05 0.25 -0.22 -0.39 -0.67 0.00 0.00 178.83 177.85 3m8a h VAL 11 N 0.06 1.27 -0.63 -0.54 -1.51 -1.31 -1.98 116.25 111.61 3m8a h VAL 11 Ca 0.04 -1.37 -0.01 0.00 -1.23 0.00 0.00 66.70 64.13 3m8a h VAL 11 Cb 0.14 1.15 -0.03 0.00 -2.13 0.00 0.00 31.29 30.41 3m8a h VAL 11 CO -0.00 0.47 0.34 0.44 -1.23 0.00 0.00 177.57 177.58 3m8a h ASP 12 N 0.80 0.77 -0.17 4.19 3.32 -1.31 0.42 116.42 124.44 3m8a h ASP 12 Ca 0.11 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3m8a h ASP 12 Cb 0.77 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3m8a h ASP 12 CO 0.06 0.63 0.03 0.00 -1.72 0.00 0.00 179.24 178.25 3m8a h PHE 14 N 0.08 0.69 -0.04 0.00 3.57 -0.88 -2.02 116.94 118.34 3m8a h PHE 14 Ca 0.05 -0.20 -0.10 0.00 3.53 0.00 0.00 57.97 61.26 3m8a h PHE 14 Cb 0.29 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3m8a h PHE 14 CO 0.01 0.88 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.49 3m8a h LEU 15 N 0.48 0.08 -0.54 0.59 3.38 -0.85 -1.69 115.31 116.75 3m8a h LEU 15 Ca 0.04 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3m8a h LEU 15 Cb 0.89 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3m8a h LEU 15 CO 0.08 0.50 -0.24 -0.25 0.09 0.00 0.00 178.44 178.61 3m8a h TRP 16 N 0.07 1.06 -0.80 1.13 7.01 -0.99 -1.81 115.95 121.62 3m8a h TRP 16 Ca 0.00 -0.26 -0.01 0.00 2.11 0.00 0.00 58.89 60.73 3m8a h TRP 16 Cb 0.77 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 3m8a h TRP 16 CO 0.00 1.06 0.44 1.25 -2.79 0.00 0.00 178.44 178.41 3m8a h HIS 17 N 0.79 1.09 -0.32 2.65 2.76 -0.72 0.47 115.15 121.88 3m8a h HIS 17 Ca 0.10 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3m8a h HIS 17 Cb 0.80 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 3m8a h HIS 17 CO 0.05 0.76 0.15 0.82 -1.30 0.00 0.00 177.93 178.41 3m8a h ILE 18 N 1.11 1.15 -1.01 6.26 2.04 -1.14 -1.49 117.51 124.42 3m8a h ILE 18 Ca 0.28 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3m8a h ILE 18 Cb 0.03 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3m8a h ILE 18 CO -0.05 0.16 0.67 0.03 0.00 0.00 0.00 178.15 178.96 3m8a h ARG 19 N 0.38 1.33 -0.40 2.37 3.08 -0.95 -0.04 114.38 120.14 3m8a h ARG 19 Ca 0.11 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3m8a h ARG 19 Cb 0.11 -0.30 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3m8a h ARG 19 CO -0.01 0.88 0.06 -0.22 -1.07 0.00 0.00 179.97 179.61 3m8a h LYS 20 N 1.37 0.66 -0.74 0.04 1.63 -0.71 -0.96 116.57 117.87 3m8a h LYS 20 Ca 0.37 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.93 3m8a h LYS 20 Cb -0.16 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.36 3m8a h LYS 20 CO -0.08 0.71 0.24 0.00 -3.45 0.00 0.00 179.45 176.87 3m8a h ARG 21 N 0.51 1.14 -0.16 1.90 2.47 -0.89 0.40 114.38 119.76 3m8a h ARG 21 Ca 0.12 -0.24 0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3m8a h ARG 21 Cb 0.37 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3m8a h ARG 21 CO 0.01 0.97 0.05 0.35 0.56 0.00 0.00 179.97 181.90 3m8a h PHE 22 N 1.09 0.09 -0.57 3.04 3.57 -0.85 -2.58 116.94 120.73 3m8a h PHE 22 Ca 0.24 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 3m8a h PHE 22 Cb 0.29 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3m8a h PHE 22 CO 0.02 0.04 0.13 0.00 -2.23 0.00 0.00 178.31 176.28 3m8a h ALA 23 N 1.10 1.16 0.00 2.41 0.00 -0.80 -2.54 119.26 120.59 3m8a h ALA 23 Ca 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3m8a h ALA 23 Cb 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3m8a h ALA 23 CO -0.07 0.57 -0.13 -0.44 0.00 0.00 0.00 179.25 179.17 3m8a h ASP 24 N 0.85 0.00 0.19 0.00 3.32 -0.68 -0.98 116.42 119.13 3m8a h ASP 24 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3m8a h ASP 24 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3m8a h ASP 24 CO 0.00 0.13 -0.02 0.59 -1.72 0.00 0.00 179.24 178.22 3m8a n ASN 25 N -4.12 0.26 -0.89 6.45 3.02 -0.97 -4.93 115.26 114.08 3m8a n ASN 25 Ca -0.02 -0.78 -0.08 0.00 -0.03 0.00 0.00 54.58 53.66 3m8a n ASN 25 Cb 0.21 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 1.14 0.10 0.16 7.41 0.00 -0.37 -4.96 105.19 108.66 3m8a n GLY 26 Ca 0.19 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.13 0.99 -4.84 0.99 4.77 -1.13 -4.93 117.00 111.72 3m8a n LEU 27 Ca -0.09 -0.28 -0.37 0.00 -0.03 0.00 0.00 56.01 55.24 3m8a n LEU 27 Cb 0.55 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 3m8a n LEU 27 CO 0.11 0.21 0.19 -0.83 -1.33 0.00 0.00 177.39 175.74 3m8a s GLY 28 N -2.75 2.51 0.83 -0.72 0.00 -1.26 -4.99 107.32 100.93 3m8a s GLY 28 Ca 0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 44.72 44.68 3m8a s GLY 28 CO 0.65 0.19 1.14 0.51 0.00 0.00 0.00 173.10 175.59 3m8a s ASP 29 N -1.40 3.79 0.16 1.64 -4.77 -1.26 -4.84 116.67 109.98 3m8a s ASP 29 Ca 0.31 -0.15 -0.16 0.00 -3.30 0.00 0.00 52.55 49.26 3m8a s ASP 29 Cb -0.16 -0.07 0.05 0.00 -1.09 0.00 0.00 42.92 41.65 3m8a s ASP 29 CO 0.18 -2.26 1.79 0.00 0.70 0.00 0.00 175.17 175.58 3m8a h ALA 30 N -1.01 0.50 -0.23 2.11 0.00 -1.99 -1.99 119.26 116.66 3m8a h ALA 30 Ca -0.39 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3m8a h ALA 30 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3m8a h ALA 30 CO 0.38 -0.12 -0.00 -1.35 0.00 0.00 0.00 179.25 178.16 3m8a h PRO 31 N 0.46 0.34 -0.22 0.00 0.11 -1.99 -1.11 132.00 129.58 3m8a h PRO 31 Ca 0.16 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 3m8a h PRO 31 Cb 0.03 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3m8a h PRO 31 CO -0.09 0.37 0.04 0.35 -0.21 0.00 0.00 178.00 178.46 3m8a h PHE 32 N 0.33 0.39 0.00 0.65 3.57 -1.86 -1.70 116.94 118.31 3m8a h PHE 32 Ca 0.08 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3m8a h PHE 32 Cb 0.23 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3m8a h PHE 32 CO 0.01 0.49 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.34 3m8a h LEU 33 N 0.17 0.00 -0.11 0.59 3.38 -0.96 -1.49 115.31 116.89 3m8a h LEU 33 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3m8a h LEU 33 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3m8a h LEU 33 CO 0.00 0.16 -0.29 -0.78 0.09 0.00 0.00 178.44 177.62 3m8a h ASP 34 N 0.00 0.45 -0.31 -0.43 3.58 -0.95 -2.63 116.42 116.12 3m8a h ASP 34 Ca -0.00 -0.59 -0.05 0.00 0.42 0.00 0.00 57.03 56.81 3m8a h ASP 34 Cb 0.31 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 3m8a h ASP 34 CO 0.02 0.96 0.03 0.03 -2.88 0.00 0.00 179.24 177.40 3m8a h ARG 35 N -0.04 0.64 0.08 0.28 3.08 -1.06 -1.18 114.38 116.17 3m8a h ARG 35 Ca -0.01 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3m8a h ARG 35 Cb 0.90 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3m8a h ARG 35 CO 0.06 0.64 -0.04 1.25 -1.07 0.00 0.00 179.97 180.81 3m8a h LEU 36 N 0.61 -0.10 -0.36 3.04 5.85 -1.25 0.79 115.31 123.90 3m8a h LEU 36 Ca 0.13 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3m8a h LEU 36 Cb 0.34 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3m8a h LEU 36 CO 0.01 -0.05 0.13 -0.09 -0.34 0.00 0.00 178.44 178.10 3m8a h ARG 37 N -0.14 0.54 -0.02 1.25 2.43 -1.33 -1.98 114.38 115.13 3m8a h ARG 37 Ca -0.01 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3m8a h ARG 37 Cb 0.11 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3m8a h ARG 37 CO 0.02 0.55 0.01 -0.09 -1.51 0.00 0.00 179.97 178.95 3m8a h ARG 38 N 0.43 0.03 -0.17 0.20 2.43 -1.13 -3.00 114.38 113.18 3m8a h ARG 38 Ca 0.12 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3m8a h ARG 38 Cb 0.22 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3m8a h ARG 38 CO -0.01 0.08 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.91 3m8a h ASP 39 N -0.02 0.27 -0.66 -3.80 3.32 -0.81 -1.83 116.42 112.89 3m8a h ASP 39 Ca 0.01 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 3m8a h ASP 39 Cb 0.05 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3m8a h ASP 39 CO -0.00 0.47 0.14 -0.61 -1.72 0.00 0.00 179.24 177.51 3m8a h GLN 40 N 0.26 1.08 -0.39 3.56 4.15 -1.28 0.98 115.11 123.47 3m8a h GLN 40 Ca 0.05 -0.27 -0.06 0.00 0.77 0.00 0.00 58.65 59.14 3m8a h GLN 40 Cb 0.47 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3m8a h GLN 40 CO 0.03 0.98 0.02 -0.22 -1.93 0.00 0.00 178.83 177.70 3m8a h LYS 41 N 1.00 0.68 -0.59 1.69 3.64 -1.36 -2.31 116.57 119.33 3m8a h LYS 41 Ca 0.21 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3m8a h LYS 41 Cb 0.40 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3m8a h LYS 41 CO 0.01 0.76 0.25 1.03 -2.27 0.00 0.00 179.45 179.23 3m8a h SER 42 N 0.51 0.81 0.34 4.20 0.87 -1.02 -2.50 113.55 116.75 3m8a h SER 42 Ca 0.11 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 3m8a h SER 42 Cb 0.45 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3m8a h SER 42 CO 0.02 0.75 -0.41 -0.07 -0.53 0.00 0.00 176.83 176.58 3m8a h LEU 43 N 0.82 0.11 -0.47 2.23 3.38 -0.74 -1.28 115.31 119.35 3m8a h LEU 43 Ca 0.20 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3m8a h LEU 43 Cb 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3m8a h LEU 43 CO -0.02 0.51 -0.00 0.11 0.09 0.00 0.00 178.44 179.13 3m8a h LYS 44 N 0.09 0.84 0.30 1.13 1.57 -1.20 -1.06 116.57 118.23 3m8a h LYS 44 Ca 0.01 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3m8a h LYS 44 Cb 0.77 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3m8a h LYS 44 CO 0.06 0.89 -0.14 0.78 -0.57 0.00 0.00 179.45 180.46 3m8a h GLY 45 N 0.69 -0.42 0.97 3.86 0.00 -1.16 -2.16 103.07 104.85 3m8a h GLY 45 Ca 0.13 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.63 3m8a h GLY 45 CO 0.02 -0.15 0.56 3.21 0.00 0.00 0.00 176.54 180.18 3m8a h ARG 46 N -0.41 1.09 -0.88 4.80 3.08 -1.22 -1.43 114.38 119.41 3m8a h ARG 46 Ca -0.04 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3m8a h ARG 46 Cb 0.31 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3m8a h ARG 46 CO 0.07 0.72 0.59 0.78 -1.07 0.00 0.00 179.97 181.05 3m8a h GLY 47 N 1.12 1.24 0.82 0.04 0.00 -1.06 0.49 103.07 105.72 3m8a h GLY 47 Ca 0.32 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3m8a h GLY 47 CO -0.08 0.45 -0.11 -0.57 0.00 0.00 0.00 176.54 176.23 3m8a h ASN 48 N 1.20 0.47 -0.81 0.19 -0.73 -1.02 0.87 115.58 115.74 3m8a h ASN 48 Ca 0.32 -0.42 -0.04 0.00 1.87 0.00 0.00 56.30 58.04 3m8a h ASN 48 Cb -0.14 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 38.28 3m8a h ASN 48 CO -0.07 0.79 0.37 0.74 -0.37 0.00 0.00 177.43 178.88 3m8a h THR 49 N 0.16 1.26 0.00 -3.57 2.02 -0.97 -2.93 112.91 108.88 3m8a h THR 49 Ca 0.05 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3m8a h THR 49 Cb 0.61 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3m8a h THR 49 CO 0.03 0.32 -0.57 -0.07 0.37 0.00 0.00 175.52 175.60 3m8a h LEU 50 N 1.17 0.00 0.91 2.58 3.38 -0.90 -3.48 115.31 118.97 3m8a h LEU 50 Ca 0.28 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 3m8a h LEU 50 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3m8a h LEU 50 CO -0.03 0.07 -0.21 0.61 0.09 0.00 0.00 178.44 178.97 3m8a n GLY 51 N 1.29 0.08 3.34 0.83 0.00 -0.01 -5.04 105.19 105.68 3m8a n GLY 51 Ca 0.03 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.42 2.38 0.15 0.99 1.43 0.09 -5.02 118.68 116.28 3m8a s LEU 52 Ca 0.02 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3m8a s LEU 52 Cb -0.01 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 3m8a s LEU 52 CO 0.03 0.25 1.11 -1.81 0.23 0.00 0.00 176.35 176.16 3m8a s ASP 53 N -0.18 7.24 0.17 2.29 1.01 -1.26 -4.46 116.67 121.47 3m8a s ASP 53 Ca -0.02 2.06 -0.15 0.00 0.71 0.00 0.00 52.55 55.15 3m8a s ASP 53 Cb -0.14 -2.60 0.10 0.00 1.01 0.00 0.00 42.92 41.30 3m8a s ASP 53 CO 0.03 -0.26 1.76 0.40 0.21 0.00 0.00 175.17 177.31 3m8a h ILE 54 N 3.90 0.89 -0.22 0.77 2.04 -1.94 -2.56 117.51 120.39 3m8a h ILE 54 Ca -0.44 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.36 3m8a h ILE 54 Cb 1.21 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 3m8a h ILE 54 CO 0.74 0.06 -0.35 -0.08 0.00 0.00 0.00 178.15 178.52 3m8a h GLU 55 N 0.34 -0.36 -0.09 2.37 4.81 -1.99 0.22 114.58 119.88 3m8a h GLU 55 Ca 0.19 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.30 3m8a h GLU 55 Cb 0.16 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3m8a h GLU 55 CO -0.18 -0.24 -0.58 1.79 -0.73 0.00 0.00 179.01 179.07 3m8a h THR 56 N -0.37 1.37 -0.61 0.32 1.35 -1.98 -2.91 112.91 110.07 3m8a h THR 56 Ca 0.12 -1.90 -0.07 0.00 -0.55 0.00 0.00 66.41 64.00 3m8a h THR 56 Cb 0.56 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.89 3m8a h THR 56 CO -0.43 0.57 0.10 0.00 -0.25 0.00 0.00 175.52 175.52 3m8a h ALA 57 N 1.18 1.02 -0.73 6.62 0.00 -0.97 -1.89 119.26 124.49 3m8a h ALA 57 Ca -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3m8a h ALA 57 Cb 1.07 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3m8a h ALA 57 CO 0.09 0.63 0.48 1.15 0.00 0.00 0.00 179.25 181.60 3m8a h THR 58 N 0.94 1.18 -0.59 0.00 2.02 -0.47 0.14 112.91 116.13 3m8a h THR 58 Ca 0.19 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 3m8a h THR 58 Cb 0.40 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3m8a h THR 58 CO 0.01 0.18 -0.03 -0.07 0.37 0.00 0.00 175.52 175.98 3m8a h LEU 59 N 0.98 1.05 -0.33 2.58 3.38 -1.25 -0.30 115.31 121.42 3m8a h LEU 59 Ca 0.27 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3m8a h LEU 59 Cb -0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 3m8a h LEU 59 CO -0.06 1.12 -0.18 0.58 0.09 0.00 0.00 178.44 179.98 3m8a h VAL 60 N 0.96 1.29 -0.76 1.22 2.07 -1.09 -2.82 116.25 117.13 3m8a h VAL 60 Ca 0.16 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.43 3m8a h VAL 60 Cb 0.60 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 3m8a h VAL 60 CO 0.04 0.42 0.50 1.23 0.02 0.00 0.00 177.57 179.78 3m8a h GLY 61 N 0.47 1.03 0.80 2.17 0.00 -0.46 -0.82 103.07 106.26 3m8a h GLY 61 Ca 0.07 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.09 3m8a h GLY 61 CO 0.05 0.25 -0.01 1.70 0.00 0.00 0.00 176.54 178.54 3m8a h LYS 62 N 0.83 0.02 -0.40 4.80 3.64 -0.87 0.01 116.57 124.61 3m8a h LYS 62 Ca 0.32 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 3m8a h LYS 62 Cb 0.21 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3m8a h LYS 62 CO -0.11 0.02 -0.07 1.96 -2.27 0.00 0.00 179.45 178.98 3m8a h GLN 63 N 0.02 0.67 0.04 1.90 4.20 -1.08 0.11 115.11 120.97 3m8a h GLN 63 Ca 0.05 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3m8a h GLN 63 Cb 0.07 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3m8a h GLN 63 CO -0.10 0.74 -0.02 0.82 -0.67 0.00 0.00 178.83 179.60 3m8a h ILE 64 N 0.62 1.17 -0.82 2.54 2.04 -0.97 -1.84 117.51 120.25 3m8a h ILE 64 Ca 0.12 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3m8a h ILE 64 Cb 0.49 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 3m8a h ILE 64 CO 0.03 0.17 0.54 0.58 0.00 0.00 0.00 178.15 179.47 3m8a h VAL 65 N -0.34 1.21 -0.75 1.67 2.07 -0.75 -1.22 116.25 118.13 3m8a h VAL 65 Ca -0.01 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3m8a h VAL 65 Cb 0.31 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3m8a h VAL 65 CO 0.01 0.20 0.33 -0.33 0.02 0.00 0.00 177.57 177.80 3m8a h GLU 66 N 1.11 1.09 -0.71 1.57 5.08 -0.78 0.60 114.58 122.54 3m8a h GLU 66 Ca 0.30 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3m8a h GLU 66 Cb -0.12 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 3m8a h GLU 66 CO -0.07 0.87 0.18 2.35 -1.00 0.00 0.00 179.01 181.34 3m8a h TRP 67 N 1.08 1.18 0.09 4.33 7.01 -0.90 -1.35 115.95 127.38 3m8a h TRP 67 Ca 0.25 -0.14 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 3m8a h TRP 67 Cb 0.16 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 3m8a h TRP 67 CO 0.02 0.95 -0.04 0.82 -2.79 0.00 0.00 178.44 177.40 3m8a h ILE 68 N 1.06 1.03 -0.43 2.65 2.04 -0.35 -2.44 117.51 121.07 3m8a h ILE 68 Ca 0.22 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3m8a h ILE 68 Cb 0.36 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3m8a h ILE 68 CO 0.00 0.11 0.16 -0.07 0.00 0.00 0.00 178.15 178.35 3m8a h LEU 69 N -0.31 0.55 -0.62 1.44 3.38 -0.87 -2.42 115.31 116.46 3m8a h LEU 69 Ca -0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3m8a h LEU 69 Cb 0.26 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3m8a h LEU 69 CO 0.02 0.51 0.14 0.50 0.09 0.00 0.00 178.44 179.70 3m8a h LYS 70 N 0.60 1.00 0.00 1.13 3.64 -1.17 -2.68 116.57 119.10 3m8a h LYS 70 Ca 0.15 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3m8a h LYS 70 Cb 0.13 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3m8a h LYS 70 CO -0.01 0.91 -0.01 0.93 -2.27 0.00 0.00 179.45 179.00 3m8a h GLU 71 N 0.91 0.00 -0.01 1.90 4.39 -1.05 -3.51 114.58 117.21 3m8a h GLU 71 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3m8a h GLU 71 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3m8a h GLU 71 CO 0.00 0.01 0.00 0.39 -1.16 0.00 0.00 179.01 178.25