#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 6.27 0.14 7.83 2.15 -1.26 -5.00 116.67 126.80 3m8a s ASP 2 Ca 0.00 0.31 -0.18 0.00 0.43 0.00 0.00 52.55 53.11 3m8a s ASP 2 Cb 0.00 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.49 3m8a s ASP 2 CO 0.00 0.08 1.75 -1.28 -0.17 0.00 0.00 175.17 175.56 3m8a h SER 3 N 7.05 0.13 -0.14 -0.34 0.87 -2.05 -2.21 113.55 116.86 3m8a h SER 3 Ca -0.39 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.13 3m8a h SER 3 Cb 1.16 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 3m8a h SER 3 CO 0.72 0.11 -0.10 0.78 -0.53 0.00 0.00 176.83 177.81 3m8a h ASN 4 N 0.24 0.45 -0.52 6.23 4.21 -1.98 0.48 115.58 124.69 3m8a h ASN 4 Ca 0.13 -0.11 -0.05 0.00 1.21 0.00 0.00 56.30 57.48 3m8a h ASN 4 Cb 0.09 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 3m8a h ASN 4 CO -0.13 0.59 0.14 0.74 -1.29 0.00 0.00 177.43 177.48 3m8a h THR 5 N 0.44 1.24 -0.08 2.81 2.02 -1.91 0.96 112.91 118.40 3m8a h THR 5 Ca 0.09 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3m8a h THR 5 Cb 0.44 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3m8a h THR 5 CO 0.02 0.30 -0.01 0.24 0.37 0.00 0.00 175.52 176.45 3m8a h MET 6 N 0.72 0.14 -0.89 6.66 2.86 -1.00 -2.03 114.93 121.39 3m8a h MET 6 Ca 0.16 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3m8a h MET 6 Cb 0.31 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3m8a h MET 6 CO -0.00 0.44 0.51 0.77 1.06 0.00 0.00 176.91 179.69 3m8a h SER 7 N -0.17 1.09 -0.57 1.22 0.02 -0.84 -0.79 113.55 113.50 3m8a h SER 7 Ca 0.02 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 3m8a h SER 7 Cb 0.38 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3m8a h SER 7 CO 0.01 0.85 0.11 0.28 -1.14 0.00 0.00 176.83 176.94 3m8a h SER 8 N 1.23 0.93 -0.36 3.07 0.02 -0.76 -1.29 113.55 116.39 3m8a h SER 8 Ca 0.32 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3m8a h SER 8 Cb -0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3m8a h SER 8 CO -0.06 0.92 -0.08 0.15 -1.14 0.00 0.00 176.83 176.63 3m8a h PHE 9 N 0.93 0.77 -0.28 3.45 3.57 -0.80 -1.94 116.94 122.64 3m8a h PHE 9 Ca 0.19 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3m8a h PHE 9 Cb 0.39 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3m8a h PHE 9 CO 0.03 0.83 0.18 1.96 -2.23 0.00 0.00 178.31 179.08 3m8a h GLN 10 N 0.49 0.37 -0.50 1.11 4.20 -0.84 0.74 115.11 120.67 3m8a h GLN 10 Ca 0.09 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3m8a h GLN 10 Cb 0.58 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3m8a h GLN 10 CO 0.03 0.25 0.13 -0.39 -0.67 0.00 0.00 178.83 178.19 3m8a h VAL 11 N 0.37 1.24 -0.81 -0.54 -1.51 -1.24 -0.67 116.25 113.09 3m8a h VAL 11 Ca 0.10 -0.82 -0.02 0.00 -1.23 0.00 0.00 66.70 64.73 3m8a h VAL 11 Cb -0.03 0.82 -0.04 0.00 -2.13 0.00 0.00 31.29 29.91 3m8a h VAL 11 CO -0.02 0.30 0.43 0.44 -1.23 0.00 0.00 177.57 177.48 3m8a h ASP 12 N 0.68 1.01 -0.37 4.19 3.32 -1.12 0.22 116.42 124.34 3m8a h ASP 12 Ca 0.16 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3m8a h ASP 12 Cb 0.31 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3m8a h ASP 12 CO -0.00 0.82 0.15 0.00 -1.72 0.00 0.00 179.24 178.49 3m8a h PHE 14 N 0.46 0.95 0.00 0.00 3.57 -0.63 -1.86 116.94 119.43 3m8a h PHE 14 Ca 0.12 -0.21 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 3m8a h PHE 14 Cb 0.19 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3m8a h PHE 14 CO -0.00 0.96 -0.41 -0.07 -2.23 0.00 0.00 178.31 176.55 3m8a h LEU 15 N 0.67 0.00 -0.60 0.59 3.38 -0.53 -1.39 115.31 117.43 3m8a h LEU 15 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3m8a h LEU 15 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3m8a h LEU 15 CO 0.05 0.41 0.06 -0.25 0.09 0.00 0.00 178.44 178.80 3m8a h TRP 16 N 0.00 1.11 -0.81 1.13 7.01 -0.87 -1.06 115.95 122.45 3m8a h TRP 16 Ca -0.00 -0.17 0.04 0.00 2.11 0.00 0.00 58.89 60.87 3m8a h TRP 16 Cb 0.74 -0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.45 3m8a h TRP 16 CO 0.00 0.96 0.51 1.25 -2.79 0.00 0.00 178.44 178.37 3m8a h HIS 17 N 0.93 0.95 -0.41 2.65 2.76 -0.63 0.17 115.15 121.57 3m8a h HIS 17 Ca 0.18 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 3m8a h HIS 17 Cb 0.48 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 3m8a h HIS 17 CO 0.04 0.53 0.11 0.82 -1.30 0.00 0.00 177.93 178.12 3m8a h ILE 18 N 0.97 1.22 -0.84 6.26 2.04 -0.96 -1.66 117.51 124.54 3m8a h ILE 18 Ca 0.33 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3m8a h ILE 18 Cb 0.06 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3m8a h ILE 18 CO -0.13 0.26 0.51 0.03 0.00 0.00 0.00 178.15 178.82 3m8a h ARG 19 N 0.51 1.14 -0.51 2.37 3.08 -0.56 -1.50 114.38 118.92 3m8a h ARG 19 Ca 0.13 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3m8a h ARG 19 Cb 0.29 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3m8a h ARG 19 CO -0.00 0.80 0.20 -0.22 -1.07 0.00 0.00 179.97 179.68 3m8a h LYS 20 N 1.16 0.76 -0.54 0.04 1.63 -0.45 -0.83 116.57 118.33 3m8a h LYS 20 Ca 0.30 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 3m8a h LYS 20 Cb -0.05 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 3m8a h LYS 20 CO -0.06 0.67 0.04 0.00 -3.45 0.00 0.00 179.45 176.66 3m8a h ARG 21 N 0.68 0.89 -0.21 1.90 2.47 -0.98 0.16 114.38 119.30 3m8a h ARG 21 Ca 0.17 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 3m8a h ARG 21 Cb 0.20 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3m8a h ARG 21 CO -0.01 0.86 0.09 0.35 0.56 0.00 0.00 179.97 181.82 3m8a h PHE 22 N 0.84 0.31 -0.67 3.04 3.57 -1.12 -2.88 116.94 120.03 3m8a h PHE 22 Ca 0.17 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 3m8a h PHE 22 Cb 0.44 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3m8a h PHE 22 CO 0.03 0.34 0.26 0.00 -2.23 0.00 0.00 178.31 176.70 3m8a h ALA 23 N 0.94 1.20 -0.12 2.41 0.00 -0.84 -2.35 119.26 120.51 3m8a h ALA 23 Ca 0.07 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3m8a h ALA 23 Cb 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3m8a h ALA 23 CO -0.01 0.58 0.09 -0.44 0.00 0.00 0.00 179.25 179.47 3m8a h ASP 24 N 0.97 0.00 -0.05 0.00 3.32 -0.49 -0.72 116.42 119.45 3m8a h ASP 24 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3m8a h ASP 24 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3m8a h ASP 24 CO -0.02 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.09 3m8a n ASN 25 N -4.44 0.50 -1.33 6.45 3.02 -0.89 -4.92 115.26 113.65 3m8a n ASN 25 Ca -0.00 -1.48 -0.11 0.00 -0.03 0.00 0.00 54.58 52.95 3m8a n ASN 25 Cb 0.20 -0.03 -0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.90 -0.09 0.43 7.41 0.00 -0.28 -4.94 105.19 108.62 3m8a n GLY 26 Ca 0.15 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.69 1.87 -4.79 0.99 4.77 -1.21 -4.97 117.00 111.97 3m8a n LEU 27 Ca -0.13 -0.71 -0.38 0.00 -0.03 0.00 0.00 56.01 54.77 3m8a n LEU 27 Cb 0.60 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 3m8a n LEU 27 CO 0.17 0.36 0.47 -0.83 -1.33 0.00 0.00 177.39 176.22 3m8a s GLY 28 N -2.55 2.77 0.69 -0.72 0.00 -1.26 -4.99 107.32 101.25 3m8a s GLY 28 Ca 0.17 0.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.16 3m8a s GLY 28 CO 0.61 0.72 0.95 0.51 0.00 0.00 0.00 173.10 175.89 3m8a s ASP 29 N -1.42 4.58 0.17 1.64 -4.77 -1.26 -4.85 116.67 110.76 3m8a s ASP 29 Ca 0.40 -0.18 -0.14 0.00 -3.30 0.00 0.00 52.55 49.33 3m8a s ASP 29 Cb -0.20 -0.34 0.12 0.00 -1.09 0.00 0.00 42.92 41.41 3m8a s ASP 29 CO 0.23 -1.69 1.76 0.00 0.70 0.00 0.00 175.17 176.17 3m8a h ALA 30 N -0.43 0.53 -0.62 2.11 0.00 -1.98 -1.38 119.26 117.49 3m8a h ALA 30 Ca -0.39 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3m8a h ALA 30 Cb 1.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3m8a h ALA 30 CO 0.45 -0.21 0.20 -1.35 0.00 0.00 0.00 179.25 178.34 3m8a h PRO 31 N 0.35 0.94 -0.45 0.00 0.11 -1.98 0.25 132.00 131.23 3m8a h PRO 31 Ca 0.20 -0.18 0.01 0.00 0.11 0.00 0.00 66.00 66.15 3m8a h PRO 31 Cb 0.17 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 3m8a h PRO 31 CO -0.19 0.81 0.28 0.35 -0.21 0.00 0.00 178.00 179.03 3m8a h PHE 32 N 0.91 0.52 0.00 0.65 3.57 -1.86 -0.84 116.94 119.89 3m8a h PHE 32 Ca 0.21 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3m8a h PHE 32 Cb 0.26 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3m8a h PHE 32 CO 0.02 0.31 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.86 3m8a h LEU 33 N 0.56 0.00 -0.23 0.59 3.38 -0.92 -1.41 115.31 117.28 3m8a h LEU 33 Ca 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3m8a h LEU 33 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3m8a h LEU 33 CO -0.06 0.48 -0.41 -0.78 0.09 0.00 0.00 178.44 177.75 3m8a h ASP 34 N 0.00 0.76 -0.76 -0.43 3.58 -0.60 -2.13 116.42 116.84 3m8a h ASP 34 Ca -0.00 -0.53 -0.03 0.00 0.42 0.00 0.00 57.03 56.89 3m8a h ASP 34 Cb 0.89 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 3m8a h ASP 34 CO 0.06 1.15 0.37 0.03 -2.88 0.00 0.00 179.24 177.97 3m8a h ARG 35 N 0.39 1.08 -0.29 0.28 3.08 -0.95 -1.49 114.38 116.49 3m8a h ARG 35 Ca 0.01 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3m8a h ARG 35 Cb 1.01 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3m8a h ARG 35 CO 0.09 0.84 0.19 1.25 -1.07 0.00 0.00 179.97 181.27 3m8a h LEU 36 N 1.06 0.34 -0.26 3.04 5.85 -1.16 0.34 115.31 124.52 3m8a h LEU 36 Ca 0.26 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3m8a h LEU 36 Cb 0.10 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3m8a h LEU 36 CO -0.03 0.25 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.16 3m8a h ARG 37 N 0.39 0.50 -0.35 1.25 2.43 -1.26 -2.12 114.38 115.21 3m8a h ARG 37 Ca 0.11 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 3m8a h ARG 37 Cb -0.03 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3m8a h ARG 37 CO -0.02 0.72 -0.04 0.00 -1.51 0.00 0.00 179.97 179.11 3m8a h ARG 38 N 0.24 0.65 -0.29 0.20 3.08 -1.15 -3.09 114.38 114.02 3m8a h ARG 38 Ca 0.06 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 3m8a h ARG 38 Cb 0.54 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3m8a h ARG 38 CO 0.03 0.79 0.02 -0.44 -1.07 0.00 0.00 179.97 179.30 3m8a h ASP 39 N 0.45 0.40 -0.67 7.04 3.32 -0.33 -1.74 116.42 124.90 3m8a h ASP 39 Ca 0.09 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3m8a h ASP 39 Cb 0.53 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3m8a h ASP 39 CO 0.03 0.45 0.27 -0.61 -1.72 0.00 0.00 179.24 177.66 3m8a h GLN 40 N 0.43 1.01 -0.35 3.56 4.15 -1.32 0.72 115.11 123.30 3m8a h GLN 40 Ca 0.10 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 3m8a h GLN 40 Cb 0.25 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3m8a h GLN 40 CO 0.00 0.84 0.00 -0.22 -1.93 0.00 0.00 178.83 177.53 3m8a h LYS 41 N 0.95 0.62 -0.67 1.69 3.64 -1.36 -1.72 116.57 119.73 3m8a h LYS 41 Ca 0.22 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3m8a h LYS 41 Cb 0.21 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3m8a h LYS 41 CO -0.02 0.73 0.33 0.77 -2.27 0.00 0.00 179.45 178.99 3m8a h SER 42 N 0.43 0.88 -0.67 4.20 0.02 -1.09 -2.07 113.55 115.25 3m8a h SER 42 Ca 0.10 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3m8a h SER 42 Cb 0.45 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3m8a h SER 42 CO 0.02 0.76 0.27 -0.07 -1.14 0.00 0.00 176.83 176.67 3m8a h LEU 43 N 0.93 0.94 -0.92 5.07 3.38 -0.76 -0.19 115.31 123.77 3m8a h LEU 43 Ca 0.23 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3m8a h LEU 43 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3m8a h LEU 43 CO -0.03 0.84 0.14 0.11 0.09 0.00 0.00 178.44 179.59 3m8a h LYS 44 N 1.00 0.94 -0.14 1.13 1.57 -0.99 0.22 116.57 120.30 3m8a h LYS 44 Ca 0.23 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3m8a h LYS 44 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3m8a h LYS 44 CO -0.02 0.84 0.00 0.78 -0.57 0.00 0.00 179.45 180.48 3m8a h GLY 45 N 1.02 0.27 1.00 3.86 0.00 -0.97 -1.97 103.07 106.29 3m8a h GLY 45 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3m8a h GLY 45 CO 0.00 0.18 0.41 3.21 0.00 0.00 0.00 176.54 180.34 3m8a h ARG 46 N -0.00 0.97 -0.48 4.80 3.08 -0.88 -1.40 114.38 120.48 3m8a h ARG 46 Ca 0.04 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3m8a h ARG 46 Cb 0.36 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3m8a h ARG 46 CO 0.01 0.71 0.15 0.78 -1.07 0.00 0.00 179.97 180.55 3m8a h GLY 47 N 0.97 0.80 0.99 0.04 0.00 -0.94 -0.18 103.07 104.75 3m8a h GLY 47 Ca 0.25 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3m8a h GLY 47 CO -0.04 0.44 0.31 -0.57 0.00 0.00 0.00 176.54 176.68 3m8a h ASN 48 N 0.64 0.63 -0.26 0.19 -0.73 -1.17 0.19 115.58 115.08 3m8a h ASN 48 Ca 0.16 -0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.26 3m8a h ASN 48 Cb 0.27 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 3m8a h ASN 48 CO -0.01 0.51 0.14 0.74 -0.37 0.00 0.00 177.43 178.45 3m8a h THR 49 N 0.70 1.11 0.00 -3.57 2.02 -1.04 -3.03 112.91 109.10 3m8a h THR 49 Ca 0.19 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3m8a h THR 49 Cb -0.00 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3m8a h THR 49 CO -0.03 0.11 0.00 0.18 0.37 0.00 0.00 175.52 176.15 3m8a n LEU 50 N -4.85 0.81 -0.77 2.58 4.77 -0.10 -4.93 117.00 114.51 3m8a n LEU 50 Ca -0.02 0.58 -0.07 0.00 -0.03 0.00 0.00 56.01 56.46 3m8a n LEU 50 Cb 0.07 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 3m8a n LEU 50 CO 0.35 -0.19 -0.09 0.61 -1.33 0.00 0.00 177.39 176.74 3m8a n GLY 51 N 1.28 0.16 3.45 -0.72 0.00 0.43 -5.02 105.19 104.76 3m8a n GLY 51 Ca 0.05 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.98 3.04 0.06 0.99 1.43 0.11 -5.02 118.68 117.31 3m8a s LEU 52 Ca 0.00 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 3m8a s LEU 52 Cb 0.00 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 3m8a s LEU 52 CO 0.00 0.16 1.11 -0.62 0.23 0.00 0.00 176.35 177.23 3m8a s ASP 53 N 0.37 7.21 0.20 2.29 2.15 -1.26 -4.44 116.67 123.19 3m8a s ASP 53 Ca -0.07 1.90 -0.11 0.00 0.43 0.00 0.00 52.55 54.70 3m8a s ASP 53 Cb -0.15 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 40.03 3m8a s ASP 53 CO 0.04 -0.36 1.87 0.40 -0.17 0.00 0.00 175.17 176.95 3m8a h ILE 54 N 4.50 1.18 -0.35 4.11 2.04 -1.95 -0.74 117.51 126.31 3m8a h ILE 54 Ca -0.42 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3m8a h ILE 54 Cb 1.22 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3m8a h ILE 54 CO 0.78 0.17 0.22 -0.33 0.00 0.00 0.00 178.15 178.99 3m8a h GLU 55 N 0.96 0.47 -0.26 2.37 5.08 -1.99 0.53 114.58 121.73 3m8a h GLU 55 Ca 0.26 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3m8a h GLU 55 Cb -0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3m8a h GLU 55 CO -0.06 0.33 0.06 1.15 -1.00 0.00 0.00 179.01 179.49 3m8a h THR 56 N 0.46 1.22 -0.88 1.13 2.02 -1.93 -2.83 112.91 112.10 3m8a h THR 56 Ca 0.13 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3m8a h THR 56 Cb -0.02 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3m8a h THR 56 CO -0.03 0.23 0.51 0.00 0.37 0.00 0.00 175.52 176.61 3m8a h ALA 57 N 0.88 1.24 -0.44 6.16 0.00 -0.99 -1.29 119.26 124.81 3m8a h ALA 57 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m8a h ALA 57 Cb 0.30 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3m8a h ALA 57 CO 0.00 0.64 0.28 1.15 0.00 0.00 0.00 179.25 181.32 3m8a h THR 58 N 1.22 1.12 -0.51 0.00 2.02 -0.83 0.92 112.91 116.86 3m8a h THR 58 Ca 0.31 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 3m8a h THR 58 Cb -0.02 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 3m8a h THR 58 CO -0.06 0.12 -0.03 -0.07 0.37 0.00 0.00 175.52 175.86 3m8a h LEU 59 N 0.59 0.85 -0.35 2.58 3.38 -1.17 -0.61 115.31 120.58 3m8a h LEU 59 Ca 0.16 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3m8a h LEU 59 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3m8a h LEU 59 CO -0.03 0.93 -0.18 0.58 0.09 0.00 0.00 178.44 179.83 3m8a h VAL 60 N 0.80 1.29 -0.72 1.22 2.07 -1.02 -3.01 116.25 116.89 3m8a h VAL 60 Ca 0.15 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.42 3m8a h VAL 60 Cb 0.52 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 3m8a h VAL 60 CO 0.03 0.42 0.47 1.23 0.02 0.00 0.00 177.57 179.74 3m8a h GLY 61 N 0.51 0.97 1.00 2.17 0.00 -0.57 -1.33 103.07 105.82 3m8a h GLY 61 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3m8a h GLY 61 CO 0.05 0.26 0.24 1.70 0.00 0.00 0.00 176.54 178.79 3m8a h LYS 62 N 0.80 0.47 -0.45 4.80 3.64 -0.99 -0.47 116.57 124.37 3m8a h LYS 62 Ca 0.30 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.56 3m8a h LYS 62 Cb 0.16 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3m8a h LYS 62 CO -0.09 0.31 -0.09 1.96 -2.27 0.00 0.00 179.45 179.26 3m8a h GLN 63 N 0.48 0.80 0.40 1.90 1.08 -1.26 -1.42 115.11 117.09 3m8a h GLN 63 Ca 0.13 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3m8a h GLN 63 Cb -0.05 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3m8a h GLN 63 CO -0.03 0.87 -0.19 0.82 -0.95 0.00 0.00 178.83 179.34 3m8a h ILE 64 N 0.73 0.61 -0.63 2.54 2.04 -0.90 -1.59 117.51 120.30 3m8a h ILE 64 Ca 0.12 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.77 3m8a h ILE 64 Cb 0.58 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3m8a h ILE 64 CO 0.04 0.05 0.39 0.58 0.00 0.00 0.00 178.15 179.20 3m8a h VAL 65 N -0.67 1.08 -0.75 1.67 2.07 -1.05 0.80 116.25 119.39 3m8a h VAL 65 Ca -0.05 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3m8a h VAL 65 Cb 0.49 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3m8a h VAL 65 CO 0.09 0.14 0.30 -0.33 0.02 0.00 0.00 177.57 177.79 3m8a h GLU 66 N 0.76 1.12 -0.56 1.57 5.08 -1.25 -0.85 114.58 120.46 3m8a h GLU 66 Ca 0.26 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3m8a h GLU 66 Cb 0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3m8a h GLU 66 CO -0.11 0.91 -0.05 2.35 -1.00 0.00 0.00 179.01 181.12 3m8a h TRP 67 N 1.09 1.14 -0.08 4.33 7.01 -0.81 -2.12 115.95 126.51 3m8a h TRP 67 Ca 0.25 -0.22 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3m8a h TRP 67 Cb 0.21 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 3m8a h TRP 67 CO 0.02 1.03 0.04 0.82 -2.79 0.00 0.00 178.44 177.56 3m8a h ILE 68 N 0.92 1.00 0.00 2.65 1.08 -0.39 -3.07 117.51 119.70 3m8a h ILE 68 Ca 0.15 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 3m8a h ILE 68 Cb 0.61 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 3m8a h ILE 68 CO 0.04 0.02 0.00 0.18 -0.69 0.00 0.00 178.15 177.69 3m8a n LEU 69 N -5.06 0.00 0.13 1.44 4.77 -0.37 -3.49 117.00 114.42 3m8a n LEU 69 Ca -0.05 0.42 -0.02 0.00 -0.03 0.00 0.00 56.01 56.33 3m8a n LEU 69 Cb 0.04 -0.42 0.20 0.00 -2.33 0.00 0.00 43.42 40.91 3m8a n LEU 69 CO 0.32 -0.03 0.55 0.11 -1.33 0.00 0.00 177.39 177.01 3m8a h LYS 70 N 0.00 0.08 0.00 3.23 1.57 -1.28 -3.50 116.57 116.67 3m8a h LYS 70 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3m8a h LYS 70 Cb 0.39 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3m8a h LYS 70 CO 0.00 0.61 0.00 0.39 -0.57 0.00 0.00 179.45 179.88