#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 0.54 0.09 3.17 2.15 -1.26 -5.07 116.67 116.30 3m8a s ASP 2 Ca 0.00 -0.07 -0.21 0.00 0.43 0.00 0.00 52.55 52.70 3m8a s ASP 2 Cb 0.00 -0.19 -0.11 0.00 -0.30 0.00 0.00 42.92 42.32 3m8a s ASP 2 CO 0.00 -0.03 1.68 0.28 -0.17 0.00 0.00 175.17 176.93 3m8a h SER 3 N 6.72 0.17 -0.18 -0.34 0.02 -2.05 -2.10 113.55 115.80 3m8a h SER 3 Ca -0.36 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3m8a h SER 3 Cb 1.16 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 3m8a h SER 3 CO 0.49 0.22 0.08 0.78 -1.14 0.00 0.00 176.83 177.26 3m8a h ASN 4 N 0.11 0.28 -0.50 3.07 4.21 -1.98 0.64 115.58 121.42 3m8a h ASN 4 Ca 0.05 -0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.44 3m8a h ASN 4 Cb 0.09 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 3m8a h ASN 4 CO -0.01 0.27 -0.04 0.74 -1.29 0.00 0.00 177.43 177.09 3m8a h THR 5 N 0.32 1.27 -0.19 2.81 2.02 -1.89 0.78 112.91 118.02 3m8a h THR 5 Ca 0.08 -1.15 -0.14 0.00 0.77 0.00 0.00 66.41 65.97 3m8a h THR 5 Cb 0.08 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3m8a h THR 5 CO -0.01 0.40 -0.42 0.24 0.37 0.00 0.00 175.52 176.11 3m8a h MET 6 N 0.77 0.63 -0.33 6.66 2.86 -0.75 -2.21 114.93 122.55 3m8a h MET 6 Ca 0.14 -0.41 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 3m8a h MET 6 Cb 0.58 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3m8a h MET 6 CO 0.03 1.03 0.15 0.77 1.06 0.00 0.00 176.91 179.95 3m8a h SER 7 N 0.31 0.21 -0.88 1.22 0.02 -0.81 -1.56 113.55 112.06 3m8a h SER 7 Ca 0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3m8a h SER 7 Cb 1.02 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 3m8a h SER 7 CO 0.09 0.16 0.45 0.28 -1.14 0.00 0.00 176.83 176.68 3m8a h SER 8 N 0.32 1.13 -0.58 3.07 0.02 -0.85 -1.44 113.55 115.21 3m8a h SER 8 Ca 0.14 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 3m8a h SER 8 Cb 0.07 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3m8a h SER 8 CO -0.11 0.92 -0.01 0.15 -1.14 0.00 0.00 176.83 176.64 3m8a h PHE 9 N 1.24 1.12 0.08 3.45 3.57 -1.16 -1.61 116.94 123.64 3m8a h PHE 9 Ca 0.31 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 3m8a h PHE 9 Cb 0.07 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3m8a h PHE 9 CO 0.01 1.00 -0.04 1.96 -2.23 0.00 0.00 178.31 179.02 3m8a h GLN 10 N 0.92 -0.10 -0.74 1.11 4.20 -0.92 -1.62 115.11 117.95 3m8a h GLN 10 Ca 0.16 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3m8a h GLN 10 Cb 0.57 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 3m8a h GLN 10 CO 0.03 0.08 0.44 -0.24 -0.67 0.00 0.00 178.83 178.48 3m8a h VAL 11 N -0.27 1.21 -0.43 -0.54 3.04 -1.28 -2.32 116.25 115.66 3m8a h VAL 11 Ca -0.01 -0.46 -0.05 0.00 -1.01 0.00 0.00 66.70 65.17 3m8a h VAL 11 Cb 0.23 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.67 3m8a h VAL 11 CO 0.02 0.22 0.05 0.44 -1.01 0.00 0.00 177.57 177.28 3m8a h ASP 12 N 1.01 0.62 -0.12 3.17 3.32 -1.23 -1.31 116.42 121.88 3m8a h ASP 12 Ca 0.26 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3m8a h ASP 12 Cb -0.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 3m8a h ASP 12 CO -0.05 0.66 0.03 0.00 -1.72 0.00 0.00 179.24 178.16 3m8a h PHE 14 N -0.01 0.90 -0.19 0.00 3.57 -1.26 -2.12 116.94 117.83 3m8a h PHE 14 Ca 0.04 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 3m8a h PHE 14 Cb 0.26 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3m8a h PHE 14 CO 0.01 0.97 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.98 3m8a h LEU 15 N 0.56 0.25 -0.53 0.59 3.38 -1.25 -0.91 115.31 117.40 3m8a h LEU 15 Ca 0.08 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3m8a h LEU 15 Cb 0.75 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3m8a h LEU 15 CO 0.06 0.31 -0.22 -0.25 0.09 0.00 0.00 178.44 178.42 3m8a h TRP 16 N 0.27 1.10 -0.78 1.13 7.01 -1.11 -2.14 115.95 121.42 3m8a h TRP 16 Ca 0.06 -0.27 0.01 0.00 2.11 0.00 0.00 58.89 60.80 3m8a h TRP 16 Cb 0.20 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 26.97 3m8a h TRP 16 CO 0.00 1.08 0.51 1.25 -2.79 0.00 0.00 178.44 178.49 3m8a h HIS 17 N 0.82 0.98 -0.02 2.65 2.76 -0.52 0.33 115.15 122.16 3m8a h HIS 17 Ca 0.11 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3m8a h HIS 17 Cb 0.79 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 3m8a h HIS 17 CO 0.05 0.63 -0.02 0.82 -1.30 0.00 0.00 177.93 178.10 3m8a h ILE 18 N 1.06 0.93 -0.90 6.26 2.04 -0.98 -1.14 117.51 124.78 3m8a h ILE 18 Ca 0.28 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.20 3m8a h ILE 18 Cb -0.11 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3m8a h ILE 18 CO -0.06 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.69 3m8a h ARG 19 N -0.03 1.04 -0.49 2.37 3.08 -1.05 -0.78 114.38 118.52 3m8a h ARG 19 Ca 0.02 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3m8a h ARG 19 Cb 0.06 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3m8a h ARG 19 CO -0.04 0.69 0.15 -0.22 -1.07 0.00 0.00 179.97 179.48 3m8a h LYS 20 N 1.07 0.76 -0.35 0.04 3.64 -0.64 -0.55 116.57 120.55 3m8a h LYS 20 Ca 0.38 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3m8a h LYS 20 Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3m8a h LYS 20 CO -0.15 0.72 -0.14 0.00 -2.27 0.00 0.00 179.45 177.60 3m8a h ARG 21 N 0.66 0.62 0.35 1.90 2.47 -0.66 0.32 114.38 120.04 3m8a h ARG 21 Ca 0.16 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3m8a h ARG 21 Cb 0.27 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 3m8a h ARG 21 CO -0.00 0.75 -0.17 0.35 0.56 0.00 0.00 179.97 181.46 3m8a h PHE 22 N 0.57 -0.43 -0.99 3.04 3.57 -0.95 -2.62 116.94 119.13 3m8a h PHE 22 Ca 0.10 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.67 3m8a h PHE 22 Cb 0.57 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 3m8a h PHE 22 CO 0.02 -0.20 0.64 0.00 -2.23 0.00 0.00 178.31 176.54 3m8a h ALA 23 N 0.04 1.45 0.00 2.41 0.00 -0.91 -1.18 119.26 121.07 3m8a h ALA 23 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3m8a h ALA 23 Cb 0.43 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3m8a h ALA 23 CO 0.08 0.37 -0.03 -0.44 0.00 0.00 0.00 179.25 179.23 3m8a h ASP 24 N 1.11 0.00 -0.04 0.00 3.32 -0.71 -1.84 116.42 118.25 3m8a h ASP 24 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3m8a h ASP 24 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3m8a h ASP 24 CO -0.19 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 177.95 3m8a n ASN 25 N -4.49 0.35 -0.95 6.45 3.02 -0.45 -4.90 115.26 114.29 3m8a n ASN 25 Ca -0.03 -1.61 -0.09 0.00 -0.03 0.00 0.00 54.58 52.82 3m8a n ASN 25 Cb 0.12 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.80 0.21 0.01 7.41 0.00 -0.69 -4.96 105.19 107.97 3m8a n GLY 26 Ca 0.11 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.23 0.72 -4.82 0.99 4.77 -1.20 -4.97 117.00 111.26 3m8a n LEU 27 Ca -0.10 -0.26 -0.35 0.00 -0.03 0.00 0.00 56.01 55.27 3m8a n LEU 27 Cb 0.52 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3m8a n LEU 27 CO 0.13 0.16 0.43 -0.83 -1.33 0.00 0.00 177.39 175.94 3m8a s GLY 28 N -3.32 2.56 0.72 -0.72 0.00 -1.26 -4.99 107.32 100.31 3m8a s GLY 28 Ca 0.06 0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.89 3m8a s GLY 28 CO 0.83 0.48 1.00 0.51 0.00 0.00 0.00 173.10 175.92 3m8a s ASP 29 N -1.78 4.44 0.15 1.64 -4.77 -1.26 -4.86 116.67 110.23 3m8a s ASP 29 Ca 0.46 -0.09 -0.19 0.00 -3.30 0.00 0.00 52.55 49.42 3m8a s ASP 29 Cb -0.15 -0.38 0.03 0.00 -1.09 0.00 0.00 42.92 41.33 3m8a s ASP 29 CO 0.20 -1.80 1.68 0.00 0.70 0.00 0.00 175.17 175.95 3m8a h ALA 30 N -0.57 0.16 -0.41 2.11 0.00 -1.99 -1.47 119.26 117.09 3m8a h ALA 30 Ca -0.40 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3m8a h ALA 30 Cb 1.28 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 3m8a h ALA 30 CO 0.45 -0.49 0.25 -1.35 0.00 0.00 0.00 179.25 178.12 3m8a h PRO 31 N -0.03 0.55 -0.38 0.00 0.11 -1.99 -1.06 132.00 129.20 3m8a h PRO 31 Ca 0.14 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 3m8a h PRO 31 Cb 0.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3m8a h PRO 31 CO -0.32 0.39 0.07 0.35 -0.21 0.00 0.00 178.00 178.28 3m8a h PHE 32 N 0.57 0.67 -0.11 0.65 3.57 -1.79 -0.99 116.94 119.51 3m8a h PHE 32 Ca 0.15 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3m8a h PHE 32 Cb -0.02 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3m8a h PHE 32 CO 0.00 0.67 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.48 3m8a h LEU 33 N 0.48 0.17 -0.14 0.59 3.38 -0.65 -1.85 115.31 117.29 3m8a h LEU 33 Ca 0.12 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3m8a h LEU 33 Cb 0.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3m8a h LEU 33 CO 0.01 0.38 -0.32 -0.78 0.09 0.00 0.00 178.44 177.82 3m8a h ASP 34 N 0.17 0.53 -0.37 -0.43 3.58 -0.92 -2.39 116.42 116.57 3m8a h ASP 34 Ca 0.03 -0.57 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 3m8a h ASP 34 Cb 0.45 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 3m8a h ASP 34 CO 0.03 1.00 0.21 0.03 -2.88 0.00 0.00 179.24 177.63 3m8a h ARG 35 N 0.08 0.54 -0.16 0.28 3.08 -1.01 -1.68 114.38 115.51 3m8a h ARG 35 Ca 0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3m8a h ARG 35 Cb 0.92 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 3m8a h ARG 35 CO 0.07 0.40 -0.06 1.25 -1.07 0.00 0.00 179.97 180.56 3m8a h LEU 36 N 0.55 0.33 0.24 3.04 5.85 -1.26 -1.69 115.31 122.38 3m8a h LEU 36 Ca 0.14 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3m8a h LEU 36 Cb 0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3m8a h LEU 36 CO -0.02 0.65 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.43 3m8a h ARG 37 N 0.01 -0.45 -0.01 1.25 2.43 -1.18 -2.35 114.38 114.09 3m8a h ARG 37 Ca 0.04 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3m8a h ARG 37 Cb 0.52 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3m8a h ARG 37 CO 0.02 -0.30 0.01 -0.09 -1.51 0.00 0.00 179.97 178.10 3m8a h ARG 38 N -0.46 0.01 -0.21 0.20 2.43 -1.35 -2.98 114.38 112.02 3m8a h ARG 38 Ca -0.01 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3m8a h ARG 38 Cb 0.41 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3m8a h ARG 38 CO -0.02 0.02 0.15 -0.44 -1.51 0.00 0.00 179.97 178.17 3m8a h ASP 39 N 0.00 0.10 -0.26 -3.80 3.32 -1.29 -1.86 116.42 112.63 3m8a h ASP 39 Ca 0.00 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3m8a h ASP 39 Cb 0.01 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3m8a h ASP 39 CO -0.00 0.07 0.06 -0.61 -1.72 0.00 0.00 179.24 177.04 3m8a h GLN 40 N 0.12 0.42 -0.47 3.56 4.15 -1.26 -0.62 115.11 121.00 3m8a h GLN 40 Ca 0.09 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 3m8a h GLN 40 Cb 0.23 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3m8a h GLN 40 CO -0.01 0.51 0.04 0.87 -1.93 0.00 0.00 178.83 178.31 3m8a h LYS 41 N 0.25 0.80 -0.64 1.69 1.57 -1.48 -1.67 116.57 117.09 3m8a h LYS 41 Ca 0.08 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3m8a h LYS 41 Cb 0.28 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3m8a h LYS 41 CO 0.00 0.83 0.38 1.03 -0.57 0.00 0.00 179.45 181.11 3m8a h SER 42 N 0.66 0.77 0.27 0.86 0.87 -1.22 -2.29 113.55 113.47 3m8a h SER 42 Ca 0.14 -0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.46 3m8a h SER 42 Cb 0.44 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3m8a h SER 42 CO 0.02 0.60 -0.79 -0.07 -0.53 0.00 0.00 176.83 176.05 3m8a h LEU 43 N 0.88 0.51 -0.75 2.23 3.38 -0.86 -2.53 115.31 118.17 3m8a h LEU 43 Ca 0.23 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3m8a h LEU 43 Cb -0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3m8a h LEU 43 CO -0.04 1.12 0.49 0.11 0.09 0.00 0.00 178.44 180.20 3m8a h LYS 44 N 0.27 0.99 -0.17 1.13 1.57 -0.82 -1.70 116.57 117.84 3m8a h LYS 44 Ca -0.05 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3m8a h LYS 44 Cb 1.39 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3m8a h LYS 44 CO 0.14 0.67 0.03 0.78 -0.57 0.00 0.00 179.45 180.49 3m8a h GLY 45 N 1.02 0.31 0.96 3.86 0.00 -1.41 -2.28 103.07 105.52 3m8a h GLY 45 Ca 0.27 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.42 3m8a h GLY 45 CO -0.06 0.19 0.53 3.21 0.00 0.00 0.00 176.54 180.41 3m8a h ARG 46 N 0.08 1.04 -0.49 4.80 3.08 -1.31 -1.14 114.38 120.44 3m8a h ARG 46 Ca 0.05 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3m8a h ARG 46 Cb 0.30 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3m8a h ARG 46 CO 0.00 0.69 0.20 0.78 -1.07 0.00 0.00 179.97 180.57 3m8a h GLY 47 N 1.07 0.79 1.05 0.04 0.00 -1.24 -0.82 103.07 103.96 3m8a h GLY 47 Ca 0.31 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3m8a h GLY 47 CO -0.08 0.40 0.19 -0.57 0.00 0.00 0.00 176.54 176.48 3m8a h ASN 48 N 0.66 1.02 -0.28 0.19 -1.24 -1.19 0.69 115.58 115.43 3m8a h ASN 48 Ca 0.17 -0.22 -0.14 0.00 0.71 0.00 0.00 56.30 56.81 3m8a h ASN 48 Cb 0.19 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 3m8a h ASN 48 CO -0.01 0.98 -0.33 0.74 -1.29 0.00 0.00 177.43 177.52 3m8a h THR 49 N 1.02 1.28 0.00 -3.57 2.02 -1.02 -3.18 112.91 109.45 3m8a h THR 49 Ca 0.22 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.92 3m8a h THR 49 Cb 0.34 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3m8a h THR 49 CO -0.00 0.49 -0.53 0.18 0.37 0.00 0.00 175.52 176.03 3m8a n LEU 50 N -4.07 0.52 -1.62 2.58 4.77 -0.33 -4.95 117.00 113.90 3m8a n LEU 50 Ca -0.01 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 3m8a n LEU 50 Cb 0.50 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3m8a n LEU 50 CO 0.46 0.10 -0.04 0.61 -1.33 0.00 0.00 177.39 177.19 3m8a n GLY 51 N 1.48 -0.01 3.31 -0.72 0.00 -0.43 -5.03 105.19 103.79 3m8a n GLY 51 Ca 0.05 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.68 2.43 0.20 0.99 1.43 0.11 -5.03 118.68 115.11 3m8a s LEU 52 Ca 0.12 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 3m8a s LEU 52 Cb -0.05 -1.51 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 3m8a s LEU 52 CO 0.15 0.18 1.33 -0.62 0.23 0.00 0.00 176.35 177.62 3m8a s ASP 53 N 0.24 6.86 0.06 2.29 2.15 -1.26 -4.45 116.67 122.56 3m8a s ASP 53 Ca -0.12 2.43 -0.19 0.00 0.43 0.00 0.00 52.55 55.09 3m8a s ASP 53 Cb -0.16 -2.61 -0.12 0.00 -0.30 0.00 0.00 42.92 39.73 3m8a s ASP 53 CO 0.07 -0.56 1.41 0.40 -0.17 0.00 0.00 175.17 176.31 3m8a h ILE 54 N 3.77 1.31 -0.34 4.11 2.04 -1.96 -2.15 117.51 124.30 3m8a h ILE 54 Ca -0.45 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 64.30 3m8a h ILE 54 Cb 1.21 1.69 -0.08 0.00 -0.74 0.00 0.00 36.82 38.90 3m8a h ILE 54 CO 0.78 0.36 -0.26 -0.08 0.00 0.00 0.00 178.15 178.95 3m8a h GLU 55 N 0.09 -0.22 -0.01 2.37 4.81 -1.99 0.24 114.58 119.88 3m8a h GLU 55 Ca 0.04 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 3m8a h GLU 55 Cb 0.61 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3m8a h GLU 55 CO 0.03 -0.14 -0.68 0.00 -0.73 0.00 0.00 179.01 177.49 3m8a h THR 56 N -0.22 1.48 -0.39 0.32 1.03 -1.99 -2.84 112.91 110.29 3m8a h THR 56 Ca 0.17 -2.30 -0.10 0.00 -0.01 0.00 0.00 66.41 64.16 3m8a h THR 56 Cb 0.49 2.24 -0.02 0.00 -1.07 0.00 0.00 68.15 69.79 3m8a h THR 56 CO -0.47 0.66 -0.17 0.00 -0.01 0.00 0.00 175.52 175.53 3m8a h ALA 57 N 1.29 0.96 -0.43 0.00 0.00 -0.63 -2.05 119.26 118.40 3m8a h ALA 57 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3m8a h ALA 57 Cb 1.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3m8a h ALA 57 CO 0.09 0.61 0.15 1.15 0.00 0.00 0.00 179.25 181.24 3m8a h THR 58 N 0.66 1.21 -0.75 0.00 2.02 -0.50 0.04 112.91 115.59 3m8a h THR 58 Ca 0.10 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 3m8a h THR 58 Cb 0.66 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 3m8a h THR 58 CO 0.05 0.25 0.28 -0.07 0.37 0.00 0.00 175.52 176.39 3m8a h LEU 59 N 0.55 1.06 -0.36 2.58 3.38 -1.37 0.12 115.31 121.27 3m8a h LEU 59 Ca 0.14 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3m8a h LEU 59 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3m8a h LEU 59 CO -0.01 0.96 -0.10 0.58 0.09 0.00 0.00 178.44 179.96 3m8a h VAL 60 N 1.10 1.28 -0.69 1.22 2.07 -1.23 -2.68 116.25 117.31 3m8a h VAL 60 Ca 0.25 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3m8a h VAL 60 Cb 0.25 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3m8a h VAL 60 CO -0.02 0.39 0.41 1.23 0.02 0.00 0.00 177.57 179.60 3m8a h GLY 61 N 0.50 1.00 0.74 2.17 0.00 -0.66 -0.29 103.07 106.52 3m8a h GLY 61 Ca 0.09 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.04 3m8a h GLY 61 CO 0.04 0.40 0.05 1.70 0.00 0.00 0.00 176.54 178.73 3m8a h LYS 62 N 0.95 0.14 -0.25 4.80 3.64 -0.66 -0.57 116.57 124.62 3m8a h LYS 62 Ca 0.25 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3m8a h LYS 62 Cb -0.03 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3m8a h LYS 62 CO -0.05 0.09 -0.17 1.96 -2.27 0.00 0.00 179.45 179.02 3m8a h GLN 63 N 0.15 0.44 -0.19 1.90 4.20 -1.03 0.39 115.11 120.97 3m8a h GLN 63 Ca 0.11 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3m8a h GLN 63 Cb 0.10 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3m8a h GLN 63 CO -0.14 0.60 -0.07 0.82 -0.67 0.00 0.00 178.83 179.37 3m8a h ILE 64 N 0.41 1.30 -0.43 2.54 2.04 -0.61 -2.54 117.51 120.21 3m8a h ILE 64 Ca 0.07 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.78 3m8a h ILE 64 Cb 0.54 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3m8a h ILE 64 CO 0.03 0.33 0.05 0.58 0.00 0.00 0.00 178.15 179.15 3m8a h VAL 65 N 0.09 1.25 -0.76 1.67 2.07 -0.91 -1.06 116.25 118.60 3m8a h VAL 65 Ca 0.05 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.68 3m8a h VAL 65 Cb 0.54 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3m8a h VAL 65 CO 0.02 0.32 0.46 -0.33 0.02 0.00 0.00 177.57 178.06 3m8a h GLU 66 N 0.59 0.83 -0.71 1.57 5.08 -0.96 0.32 114.58 121.30 3m8a h GLU 66 Ca 0.13 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3m8a h GLU 66 Cb 0.41 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3m8a h GLU 66 CO 0.01 0.55 0.17 2.35 -1.00 0.00 0.00 179.01 181.09 3m8a h TRP 67 N 0.85 1.18 -0.03 4.33 7.01 -1.29 -0.38 115.95 127.62 3m8a h TRP 67 Ca 0.33 -0.14 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 3m8a h TRP 67 Cb 0.13 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 26.86 3m8a h TRP 67 CO -0.05 0.96 0.00 0.82 -2.79 0.00 0.00 178.44 177.38 3m8a h ILE 68 N 1.07 1.21 -0.55 2.65 2.04 0.17 -1.83 117.51 122.28 3m8a h ILE 68 Ca 0.22 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3m8a h ILE 68 Cb 0.37 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3m8a h ILE 68 CO 0.00 0.17 0.22 -0.07 0.00 0.00 0.00 178.15 178.47 3m8a h LEU 69 N -0.20 0.72 -0.71 1.44 3.38 -0.26 -2.00 115.31 117.67 3m8a h LEU 69 Ca 0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3m8a h LEU 69 Cb 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3m8a h LEU 69 CO 0.00 0.65 0.15 0.50 0.09 0.00 0.00 178.44 179.84 3m8a h LYS 70 N 0.79 1.14 -0.01 1.13 3.64 -1.01 -3.51 116.57 118.73 3m8a h LYS 70 Ca 0.19 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3m8a h LYS 70 Cb 0.16 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3m8a h LYS 70 CO -0.02 1.01 0.00 -1.91 -2.27 0.00 0.00 179.45 176.26