#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8a h ASP 2 N 0.00 1.03 -0.34 7.83 3.58 -2.06 -2.99 116.42 123.47 3m8a h ASP 2 Ca 0.00 -0.37 -0.06 0.00 0.42 0.00 0.00 57.03 57.02 3m8a h ASP 2 Cb 0.00 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 3m8a h ASP 2 CO 0.00 1.17 0.02 0.77 -2.88 0.00 0.00 179.24 178.33 3m8a h SER 3 N 0.88 0.65 -0.18 2.28 4.64 -2.05 -2.55 113.55 117.21 3m8a h SER 3 Ca 0.12 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 3m8a h SER 3 Cb 0.75 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3m8a h SER 3 CO 0.06 0.70 -0.08 0.78 -0.87 0.00 0.00 176.83 177.43 3m8a h ASN 4 N 0.65 0.50 -0.64 4.97 2.35 -1.97 -1.14 115.58 120.30 3m8a h ASN 4 Ca 0.14 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3m8a h ASN 4 Cb 0.37 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 3m8a h ASN 4 CO 0.01 0.63 0.27 0.74 -1.65 0.00 0.00 177.43 177.43 3m8a h THR 5 N 0.49 1.23 0.11 2.81 2.02 -1.32 -0.01 112.91 118.24 3m8a h THR 5 Ca 0.10 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3m8a h THR 5 Cb 0.44 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3m8a h THR 5 CO 0.02 0.28 -0.05 0.24 0.37 0.00 0.00 175.52 176.38 3m8a h MET 6 N 0.90 -0.14 -0.76 6.66 2.86 -1.18 -1.85 114.93 121.42 3m8a h MET 6 Ca 0.22 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3m8a h MET 6 Cb 0.19 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 3m8a h MET 6 CO -0.02 0.20 0.47 0.66 1.06 0.00 0.00 176.91 179.28 3m8a h SER 7 N -0.50 0.90 -0.29 1.22 4.64 -1.19 -0.55 113.55 117.79 3m8a h SER 7 Ca -0.01 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.19 3m8a h SER 7 Cb 0.41 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3m8a h SER 7 CO 0.02 0.68 -0.08 0.28 -0.87 0.00 0.00 176.83 176.87 3m8a h SER 8 N 1.04 0.66 -0.24 4.97 0.02 -0.98 -1.21 113.55 117.82 3m8a h SER 8 Ca 0.28 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3m8a h SER 8 Cb -0.07 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3m8a h SER 8 CO -0.05 0.78 -0.02 0.15 -1.14 0.00 0.00 176.83 176.54 3m8a h PHE 9 N 0.63 0.48 -0.10 3.45 3.57 -0.54 -1.28 116.94 123.15 3m8a h PHE 9 Ca 0.12 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3m8a h PHE 9 Cb 0.50 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 3m8a h PHE 9 CO 0.02 0.63 0.06 1.96 -2.23 0.00 0.00 178.31 178.76 3m8a h GLN 10 N 0.19 0.13 -0.67 1.11 4.20 -0.89 0.05 115.11 119.23 3m8a h GLN 10 Ca 0.06 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3m8a h GLN 10 Cb 0.45 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3m8a h GLN 10 CO 0.02 0.09 0.26 -0.24 -0.67 0.00 0.00 178.83 178.29 3m8a h VAL 11 N 0.13 1.24 -0.49 -0.54 3.04 -1.26 -2.27 116.25 116.10 3m8a h VAL 11 Ca 0.04 -0.78 -0.07 0.00 -1.01 0.00 0.00 66.70 64.88 3m8a h VAL 11 Cb -0.01 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 29.74 3m8a h VAL 11 CO -0.01 0.31 0.03 0.44 -1.01 0.00 0.00 177.57 177.33 3m8a h ASP 12 N 0.96 0.76 -0.26 3.17 3.32 -0.95 -0.95 116.42 122.47 3m8a h ASP 12 Ca 0.22 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3m8a h ASP 12 Cb 0.23 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3m8a h ASP 12 CO -0.02 0.81 0.11 0.00 -1.72 0.00 0.00 179.24 178.43 3m8a h PHE 14 N 0.28 1.15 -0.30 0.00 3.57 -1.15 -1.91 116.94 118.58 3m8a h PHE 14 Ca 0.09 -0.26 -0.07 0.00 3.53 0.00 0.00 57.97 61.26 3m8a h PHE 14 Cb 0.17 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3m8a h PHE 14 CO -0.01 1.09 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.99 3m8a h LEU 15 N 0.88 0.47 -0.75 0.59 3.38 -1.14 -2.16 115.31 116.57 3m8a h LEU 15 Ca 0.12 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3m8a h LEU 15 Cb 0.75 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3m8a h LEU 15 CO 0.06 0.61 0.11 -0.25 0.09 0.00 0.00 178.44 179.07 3m8a h TRP 16 N 0.46 1.13 -0.61 1.13 7.01 -1.07 -1.78 115.95 122.22 3m8a h TRP 16 Ca 0.09 -0.15 0.02 0.00 2.11 0.00 0.00 58.89 60.96 3m8a h TRP 16 Cb 0.46 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 27.17 3m8a h TRP 16 CO 0.01 0.94 0.38 1.25 -2.79 0.00 0.00 178.44 178.24 3m8a h HIS 17 N 1.00 0.71 -0.29 2.65 2.76 -0.74 0.16 115.15 121.41 3m8a h HIS 17 Ca 0.20 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 3m8a h HIS 17 Cb 0.42 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3m8a h HIS 17 CO 0.03 0.42 0.14 0.82 -1.30 0.00 0.00 177.93 178.04 3m8a h ILE 18 N 0.75 1.15 -0.80 6.26 2.04 -1.14 -0.23 117.51 125.54 3m8a h ILE 18 Ca 0.24 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3m8a h ILE 18 Cb -0.00 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3m8a h ILE 18 CO -0.09 0.15 0.53 0.03 0.00 0.00 0.00 178.15 178.77 3m8a h ARG 19 N 0.33 1.04 -0.30 2.37 3.08 -0.86 0.24 114.38 120.28 3m8a h ARG 19 Ca 0.10 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3m8a h ARG 19 Cb 0.11 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3m8a h ARG 19 CO -0.01 0.69 0.17 -0.22 -1.07 0.00 0.00 179.97 179.53 3m8a h LYS 20 N 1.07 0.41 -0.46 0.04 1.63 -0.47 -0.25 116.57 118.55 3m8a h LYS 20 Ca 0.29 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.02 3m8a h LYS 20 Cb -0.11 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 3m8a h LYS 20 CO -0.07 0.34 0.15 0.00 -3.45 0.00 0.00 179.45 176.42 3m8a h ARG 21 N 0.38 0.67 -0.35 1.90 2.47 -0.55 0.27 114.38 119.16 3m8a h ARG 21 Ca 0.11 -0.11 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 3m8a h ARG 21 Cb 0.04 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 3m8a h ARG 21 CO -0.02 0.59 0.01 0.35 0.56 0.00 0.00 179.97 181.46 3m8a h PHE 22 N 0.66 0.66 -0.55 3.04 3.57 -0.62 -2.66 116.94 121.04 3m8a h PHE 22 Ca 0.16 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3m8a h PHE 22 Cb 0.19 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3m8a h PHE 22 CO 0.01 0.71 0.10 0.00 -2.23 0.00 0.00 178.31 176.89 3m8a h ALA 23 N 0.87 1.13 0.00 2.41 0.00 -0.69 -2.46 119.26 120.53 3m8a h ALA 23 Ca 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3m8a h ALA 23 Cb 0.44 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3m8a h ALA 23 CO 0.02 0.57 -0.11 -0.44 0.00 0.00 0.00 179.25 179.29 3m8a h ASP 24 N 0.83 0.00 -0.00 0.00 3.32 -0.78 -0.85 116.42 118.93 3m8a h ASP 24 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3m8a h ASP 24 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3m8a h ASP 24 CO 0.01 0.11 0.00 0.59 -1.72 0.00 0.00 179.24 178.22 3m8a n ASN 25 N -4.09 0.32 -0.65 6.45 3.02 -0.93 -4.93 115.26 114.46 3m8a n ASN 25 Ca -0.02 -1.11 -0.07 0.00 -0.03 0.00 0.00 54.58 53.35 3m8a n ASN 25 Cb 0.19 -0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 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 1.04 0.43 0.44 7.41 0.00 -0.32 -4.95 105.19 109.23 3m8a n GLY 26 Ca 0.23 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.86 1.82 -4.78 0.99 4.77 -1.19 -4.95 117.00 112.80 3m8a n LEU 27 Ca -0.07 -0.65 -0.39 0.00 -0.03 0.00 0.00 56.01 54.86 3m8a n LEU 27 Cb 0.41 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3m8a n LEU 27 CO 0.09 0.34 0.33 -0.83 -1.33 0.00 0.00 177.39 176.00 3m8a s GLY 28 N -2.48 2.70 0.89 -0.72 0.00 -1.26 -5.00 107.32 101.43 3m8a s GLY 28 Ca 0.20 0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.90 3m8a s GLY 28 CO 0.56 0.71 1.23 0.51 0.00 0.00 0.00 173.10 176.11 3m8a s ASP 29 N -0.61 3.57 0.15 1.64 1.47 -1.26 -4.83 116.67 116.79 3m8a s ASP 29 Ca 0.32 0.19 -0.17 0.00 1.18 0.00 0.00 52.55 54.07 3m8a s ASP 29 Cb -0.20 -0.37 0.03 0.00 -0.34 0.00 0.00 42.92 42.05 3m8a s ASP 29 CO 0.20 -2.43 1.76 0.00 0.68 0.00 0.00 175.17 175.38 3m8a h ALA 30 N -1.31 0.40 -0.40 2.11 0.00 -1.99 -2.25 119.26 115.82 3m8a h ALA 30 Ca -0.43 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3m8a h ALA 30 Cb 1.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3m8a h ALA 30 CO 0.42 -0.24 0.08 -1.35 0.00 0.00 0.00 179.25 178.17 3m8a h PRO 31 N 0.31 0.59 -0.58 0.00 0.11 -1.99 -1.14 132.00 129.31 3m8a h PRO 31 Ca 0.15 -0.11 0.01 0.00 0.11 0.00 0.00 66.00 66.16 3m8a h PRO 31 Cb 0.08 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 3m8a h PRO 31 CO -0.12 0.55 0.37 0.35 -0.21 0.00 0.00 178.00 178.94 3m8a h PHE 32 N 0.58 0.70 -0.33 0.65 3.57 -1.85 -1.15 116.94 119.10 3m8a h PHE 32 Ca 0.13 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 3m8a h PHE 32 Cb 0.24 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3m8a h PHE 32 CO 0.01 0.42 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.22 3m8a h LEU 33 N 0.74 0.65 -0.33 0.59 3.38 -0.88 -0.85 115.31 118.61 3m8a h LEU 33 Ca 0.22 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3m8a h LEU 33 Cb -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3m8a h LEU 33 CO -0.07 0.86 0.10 -0.78 0.09 0.00 0.00 178.44 178.64 3m8a h ASP 34 N 0.57 0.49 -0.75 -0.43 3.58 -0.88 -1.53 116.42 117.46 3m8a h ASP 34 Ca 0.08 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 3m8a h ASP 34 Cb 0.68 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 3m8a h ASP 34 CO 0.05 0.57 0.41 0.03 -2.88 0.00 0.00 179.24 177.42 3m8a h ARG 35 N 0.38 1.04 -0.51 0.28 3.08 -0.98 -0.53 114.38 117.13 3m8a h ARG 35 Ca 0.11 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.07 3m8a h ARG 35 Cb 0.26 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3m8a h ARG 35 CO -0.00 0.77 0.28 1.25 -1.07 0.00 0.00 179.97 181.19 3m8a h LEU 36 N 1.03 0.42 0.07 3.04 5.85 -0.99 0.53 115.31 125.26 3m8a h LEU 36 Ca 0.26 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3m8a h LEU 36 Cb 0.03 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3m8a h LEU 36 CO -0.04 0.29 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.22 3m8a h ARG 37 N 0.54 -0.09 -0.85 1.25 2.43 -0.95 -2.00 114.38 114.71 3m8a h ARG 37 Ca 0.22 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3m8a h ARG 37 Cb 0.10 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3m8a h ARG 37 CO -0.14 0.27 0.47 0.00 -1.51 0.00 0.00 179.97 179.06 3m8a h ARG 38 N -0.46 1.19 -0.10 0.20 3.08 -0.99 -2.53 114.38 114.76 3m8a h ARG 38 Ca -0.01 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 3m8a h ARG 38 Cb 0.40 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3m8a h ARG 38 CO 0.02 0.86 -0.45 -0.44 -1.07 0.00 0.00 179.97 178.89 3m8a h ASP 39 N 1.19 0.26 -0.55 7.04 3.32 -0.87 -1.66 116.42 125.15 3m8a h ASP 39 Ca 0.30 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3m8a h ASP 39 Cb 0.02 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3m8a h ASP 39 CO -0.05 0.68 0.22 -0.61 -1.72 0.00 0.00 179.24 177.76 3m8a h GLN 40 N 0.20 0.82 -0.20 3.56 4.15 -0.95 0.11 115.11 122.81 3m8a h GLN 40 Ca 0.01 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 3m8a h GLN 40 Cb 0.87 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 3m8a h GLN 40 CO 0.07 0.72 0.04 -0.22 -1.93 0.00 0.00 178.83 177.51 3m8a h LYS 41 N 0.75 0.32 -0.58 1.69 3.64 -1.24 -1.49 116.57 119.66 3m8a h LYS 41 Ca 0.18 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3m8a h LYS 41 Cb 0.20 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3m8a h LYS 41 CO -0.01 0.46 0.18 0.66 -2.27 0.00 0.00 179.45 178.46 3m8a h SER 42 N 0.13 0.80 -0.65 4.20 4.64 -1.09 -1.90 113.55 119.68 3m8a h SER 42 Ca 0.06 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 3m8a h SER 42 Cb 0.29 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3m8a h SER 42 CO 0.00 0.75 0.07 -0.07 -0.87 0.00 0.00 176.83 176.72 3m8a h LEU 43 N 0.84 1.06 -0.63 5.97 3.38 -0.67 0.94 115.31 126.20 3m8a h LEU 43 Ca 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3m8a h LEU 43 Cb 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3m8a h LEU 43 CO -0.01 1.07 0.36 0.11 0.09 0.00 0.00 178.44 180.05 3m8a h LYS 44 N 1.01 0.87 -0.41 1.13 6.56 -0.90 0.16 116.57 124.98 3m8a h LYS 44 Ca 0.19 -0.09 -0.02 0.00 -1.06 0.00 0.00 60.65 59.67 3m8a h LYS 44 Cb 0.48 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 3m8a h LYS 44 CO 0.02 0.65 0.18 0.78 -2.06 0.00 0.00 179.45 179.01 3m8a h GLY 45 N 0.85 0.64 1.02 3.86 0.00 -1.00 -1.89 103.07 106.57 3m8a h GLY 45 Ca 0.22 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3m8a h GLY 45 CO -0.04 0.32 0.20 3.21 0.00 0.00 0.00 176.54 180.23 3m8a h ARG 46 N 0.52 1.01 -0.75 4.80 3.08 -0.59 -1.90 114.38 120.54 3m8a h ARG 46 Ca 0.14 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3m8a h ARG 46 Cb 0.16 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3m8a h ARG 46 CO -0.01 0.89 0.47 0.78 -1.07 0.00 0.00 179.97 181.02 3m8a h GLY 47 N 0.94 1.08 0.67 0.04 0.00 -0.79 -0.79 103.07 104.22 3m8a h GLY 47 Ca 0.21 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3m8a h GLY 47 CO -0.01 0.42 -0.02 3.43 0.00 0.00 0.00 176.54 180.36 3m8a h ASN 48 N 1.03 0.14 -0.44 0.19 4.21 -1.07 0.13 115.58 119.77 3m8a h ASN 48 Ca 0.27 -0.39 0.04 0.00 1.21 0.00 0.00 56.30 57.43 3m8a h ASN 48 Cb -0.07 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.06 3m8a h ASN 48 CO -0.05 0.50 0.22 0.74 -1.29 0.00 0.00 177.43 177.54 3m8a h THR 49 N -0.23 0.96 0.00 2.81 2.02 -1.11 -2.78 112.91 114.57 3m8a h THR 49 Ca 0.02 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3m8a h THR 49 Cb 0.45 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3m8a h THR 49 CO 0.01 0.08 0.00 -0.07 0.37 0.00 0.00 175.52 175.91 3m8a h LEU 50 N 0.43 0.00 0.64 2.58 3.38 -1.15 -3.47 115.31 117.72 3m8a h LEU 50 Ca 0.19 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.93 3m8a h LEU 50 Cb 0.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.88 3m8a h LEU 50 CO -0.14 0.00 -0.33 0.61 0.09 0.00 0.00 178.44 178.66 3m8a n GLY 51 N 1.10 -0.02 3.37 0.83 0.00 -0.04 -5.02 105.19 105.40 3m8a n GLY 51 Ca 0.04 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.84 2.75 0.10 0.99 1.43 0.24 -5.03 118.68 115.32 3m8a s LEU 52 Ca 0.13 -0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 52.60 3m8a s LEU 52 Cb -0.06 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 3m8a s LEU 52 CO 0.16 0.15 1.30 -0.62 0.23 0.00 0.00 176.35 177.57 3m8a s ASP 53 N 0.42 6.95 0.18 2.29 2.15 -1.26 -4.56 116.67 122.83 3m8a s ASP 53 Ca -0.09 2.20 -0.11 0.00 0.43 0.00 0.00 52.55 54.98 3m8a s ASP 53 Cb -0.16 -2.59 0.08 0.00 -0.30 0.00 0.00 42.92 39.95 3m8a s ASP 53 CO 0.05 -0.55 1.69 0.40 -0.17 0.00 0.00 175.17 176.59 3m8a h ILE 54 N 4.29 1.25 -0.58 4.11 2.04 -1.96 -1.55 117.51 125.11 3m8a h ILE 54 Ca -0.42 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 3m8a h ILE 54 Cb 1.21 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3m8a h ILE 54 CO 0.83 0.34 0.32 -0.08 0.00 0.00 0.00 178.15 179.55 3m8a h GLU 55 N 0.90 0.82 -0.18 2.37 4.81 -2.00 -0.60 114.58 120.69 3m8a h GLU 55 Ca 0.20 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3m8a h GLU 55 Cb 0.33 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3m8a h GLU 55 CO -0.00 0.63 -0.00 1.15 -0.73 0.00 0.00 179.01 180.05 3m8a h THR 56 N 0.79 1.26 -0.86 0.32 2.02 -1.95 -3.10 112.91 111.38 3m8a h THR 56 Ca 0.20 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 3m8a h THR 56 Cb 0.05 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 3m8a h THR 56 CO -0.03 0.26 0.50 0.00 0.37 0.00 0.00 175.52 176.62 3m8a h ALA 57 N 0.77 1.26 -0.79 6.16 0.00 -1.06 -2.67 119.26 122.93 3m8a h ALA 57 Ca 0.05 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3m8a h ALA 57 Cb 0.40 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3m8a h ALA 57 CO 0.01 0.62 0.48 1.15 0.00 0.00 0.00 179.25 181.51 3m8a h THR 58 N 1.19 1.03 -0.28 0.00 2.02 -1.10 0.04 112.91 115.81 3m8a h THR 58 Ca 0.31 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 3m8a h THR 58 Cb -0.02 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 3m8a h THR 58 CO -0.05 0.16 -0.36 -0.07 0.37 0.00 0.00 175.52 175.57 3m8a h LEU 59 N 0.89 0.67 -0.24 2.58 3.38 -1.41 0.99 115.31 122.17 3m8a h LEU 59 Ca 0.34 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3m8a h LEU 59 Cb 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3m8a h LEU 59 CO -0.17 0.96 -0.21 0.58 0.09 0.00 0.00 178.44 179.70 3m8a h VAL 60 N 0.53 1.31 -0.69 1.22 2.07 -1.20 -2.93 116.25 116.56 3m8a h VAL 60 Ca 0.05 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 3m8a h VAL 60 Cb 0.86 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3m8a h VAL 60 CO 0.07 0.42 0.35 1.23 0.02 0.00 0.00 177.57 179.67 3m8a h GLY 61 N 0.28 1.03 0.52 2.17 0.00 -0.85 -2.65 103.07 103.57 3m8a h GLY 61 Ca 0.04 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 46.94 3m8a h GLY 61 CO 0.05 0.46 -0.10 1.70 0.00 0.00 0.00 176.54 178.65 3m8a h LYS 62 N 0.97 -0.09 -0.34 4.80 3.64 -0.67 -1.12 116.57 123.76 3m8a h LYS 62 Ca 0.24 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 3m8a h LYS 62 Cb 0.07 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3m8a h LYS 62 CO -0.03 -0.06 -0.18 0.37 -2.27 0.00 0.00 179.45 177.28 3m8a h GLN 63 N -0.09 0.62 -0.15 1.90 -0.00 -1.34 0.43 115.11 116.48 3m8a h GLN 63 Ca 0.10 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 3m8a h GLN 63 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.67 3m8a h GLN 63 CO -0.23 0.76 0.04 0.82 0.00 0.00 0.00 178.83 180.22 3m8a h ILE 64 N 0.55 1.19 -0.73 2.39 2.04 -1.20 -2.29 117.51 119.46 3m8a h ILE 64 Ca 0.09 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 3m8a h ILE 64 Cb 0.62 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 3m8a h ILE 64 CO 0.04 0.17 0.20 0.58 0.00 0.00 0.00 178.15 179.15 3m8a h VAL 65 N 0.05 1.26 -0.97 1.67 2.07 -1.03 -1.79 116.25 117.52 3m8a h VAL 65 Ca 0.05 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.67 3m8a h VAL 65 Cb 0.23 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 3m8a h VAL 65 CO -0.00 0.37 0.63 -0.33 0.02 0.00 0.00 177.57 178.26 3m8a h GLU 66 N 1.09 1.15 -0.21 1.57 5.08 -0.84 -0.91 114.58 121.51 3m8a h GLU 66 Ca 0.23 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 3m8a h GLU 66 Cb 0.34 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3m8a h GLU 66 CO -0.00 0.76 -0.38 -1.49 -1.00 0.00 0.00 179.01 176.90 3m8a h TRP 67 N 1.18 0.56 -0.34 4.33 4.06 -0.78 -0.69 115.95 124.27 3m8a h TRP 67 Ca 0.40 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 61.19 3m8a h TRP 67 Cb 0.08 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 3m8a h TRP 67 CO -0.00 0.79 0.16 0.82 -3.56 0.00 0.00 178.44 176.65 3m8a h ILE 68 N 0.40 1.16 -0.54 1.49 2.04 -0.45 -0.86 117.51 120.76 3m8a h ILE 68 Ca 0.04 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 3m8a h ILE 68 Cb 0.84 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3m8a h ILE 68 CO 0.07 0.17 -0.01 -0.07 0.00 0.00 0.00 178.15 178.31 3m8a h LEU 69 N 0.41 0.90 -0.33 1.44 3.38 -1.06 -3.15 115.31 116.90 3m8a h LEU 69 Ca 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3m8a h LEU 69 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3m8a h LEU 69 CO -0.01 0.97 0.06 0.50 0.09 0.00 0.00 178.44 180.04 3m8a h LYS 70 N 0.85 0.55 0.00 1.13 3.64 -0.91 -3.17 116.57 118.66 3m8a h LYS 70 Ca 0.16 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3m8a h LYS 70 Cb 0.52 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3m8a h LYS 70 CO 0.03 0.63 -0.04 1.05 -2.27 0.00 0.00 179.45 178.85 3m8a h GLU 71 N 0.38 0.00 0.00 1.90 4.11 -1.12 -3.51 114.58 116.34 3m8a h GLU 71 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3m8a h GLU 71 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3m8a h GLU 71 CO 0.01 0.04 0.00 0.39 0.07 0.00 0.00 179.01 179.52