#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8b s LEU 12 N 0.00 2.34 -0.77 4.31 1.43 -1.26 -4.85 118.68 119.88 1d8b s LEU 12 Ca 0.00 1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 54.14 1d8b s LEU 12 Cb 0.00 -3.77 -0.15 0.00 0.03 0.00 0.00 46.19 42.30 1d8b s LEU 12 CO 0.00 -2.32 2.40 -3.20 0.23 0.00 0.00 176.35 173.46 1d8b n ASN 13 N -3.66 1.55 0.03 2.29 2.85 -1.26 -4.75 115.26 112.31 1d8b n ASN 13 Ca 0.07 -1.24 -0.05 0.00 -0.11 0.00 0.00 54.58 53.25 1d8b n ASN 13 Cb 0.57 -1.53 0.14 0.00 1.24 0.00 0.00 39.78 40.19 1d8b n ASN 13 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1d8b h ASN 14 N 13.54 0.45 -0.52 1.20 -0.73 -1.99 -2.57 115.58 124.96 1d8b h ASN 14 Ca -0.03 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 57.93 1d8b h ASN 14 Cb 1.06 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.49 1d8b h ASN 14 CO 1.09 0.83 0.31 0.25 -0.37 0.00 0.00 177.43 179.55 1d8b h LEU 15 N 0.35 0.64 -0.55 0.34 6.46 -1.90 0.13 115.31 120.78 1d8b h LEU 15 Ca 0.03 -0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.61 1d8b h LEU 15 Cb 0.91 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1d8b h LEU 15 CO 0.08 0.50 -0.35 -0.09 -0.62 0.00 0.00 178.44 177.96 1d8b h ARG 16 N 0.74 0.79 -0.49 1.25 9.65 -1.87 -0.07 114.38 124.38 1d8b h ARG 16 Ca 0.19 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 1d8b h ARG 16 Cb -0.01 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 1d8b h ARG 16 CO -0.04 1.01 0.25 1.98 2.80 0.00 0.00 179.97 185.98 1d8b h MET 17 N 0.66 0.69 -0.32 0.20 4.05 -0.74 0.29 114.93 119.76 1d8b h MET 17 Ca 0.06 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1d8b h MET 17 Cb 0.89 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 1d8b h MET 17 CO 0.08 0.56 0.01 1.15 0.23 0.00 0.00 176.91 178.95 1d8b h THR 18 N 0.65 1.25 -0.57 -0.77 2.02 -0.62 0.11 112.91 114.98 1d8b h THR 18 Ca 0.17 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1d8b h THR 18 Cb 0.09 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1d8b h THR 18 CO -0.02 0.30 0.05 0.22 0.37 0.00 0.00 175.52 176.44 1d8b h TYR 19 N 0.37 1.05 -0.00 3.16 3.20 -0.80 -1.91 116.97 122.04 1d8b h TYR 19 Ca 0.09 -0.16 -0.17 0.00 3.14 0.00 0.00 58.73 61.62 1d8b h TYR 19 Cb 0.42 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1d8b h TYR 19 CO 0.03 0.93 -0.81 0.93 -1.64 0.00 0.00 178.16 177.61 1d8b h GLU 20 N 0.87 0.08 -0.11 1.82 4.39 -0.37 -2.15 114.58 119.11 1d8b h GLU 20 Ca 0.17 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 1d8b h GLU 20 Cb 0.48 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1d8b h GLU 20 CO 0.02 0.84 -0.40 -0.09 -1.16 0.00 0.00 179.01 178.21 1d8b h ARG 21 N 0.04 0.23 -0.06 2.33 9.65 -0.62 -0.34 114.38 125.61 1d8b h ARG 21 Ca -0.02 -0.11 -0.18 0.00 -1.10 0.00 0.00 59.98 58.57 1d8b h ARG 21 Cb 1.41 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.99 1d8b h ARG 21 CO 0.11 0.60 -0.74 -0.07 2.80 0.00 0.00 179.97 182.68 1d8b h LEU 22 N 0.19 0.43 -0.35 3.80 3.38 -1.25 -1.84 115.31 119.67 1d8b h LEU 22 Ca 0.02 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1d8b h LEU 22 Cb 0.80 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1d8b h LEU 22 CO 0.06 1.02 -0.26 -0.09 0.09 0.00 0.00 178.44 179.27 1d8b h ARG 23 N 0.24 0.80 -0.41 1.13 2.43 -0.92 0.12 114.38 117.77 1d8b h ARG 23 Ca -0.03 -0.39 -0.13 0.00 -0.81 0.00 0.00 59.98 58.63 1d8b h ARG 23 Cb 1.31 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1d8b h ARG 23 CO 0.12 1.02 -0.25 1.49 -1.51 0.00 0.00 179.97 180.84 1d8b h GLU 24 N 0.59 0.85 -0.25 0.20 4.81 -1.06 -1.32 114.58 118.40 1d8b h GLU 24 Ca 0.07 -0.36 -0.11 0.00 -0.13 0.00 0.00 59.36 58.83 1d8b h GLU 24 Cb 0.83 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1d8b h GLU 24 CO 0.07 1.00 -0.30 1.25 -0.73 0.00 0.00 179.01 180.30 1d8b h LEU 25 N 0.73 0.51 -0.83 1.64 6.46 -1.22 -2.63 115.31 119.97 1d8b h LEU 25 Ca 0.09 -0.19 -0.11 0.00 -0.12 0.00 0.00 57.88 57.55 1d8b h LEU 25 Cb 0.79 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1d8b h LEU 25 CO 0.07 0.79 -0.28 0.28 -0.62 0.00 0.00 178.44 178.67 1d8b h SER 26 N 0.43 0.56 0.37 1.25 0.02 -0.36 0.15 113.55 115.98 1d8b h SER 26 Ca 0.06 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.68 1d8b h SER 26 Cb 0.74 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1d8b h SER 26 CO 0.06 0.82 -0.50 -0.07 -1.14 0.00 0.00 176.83 176.00 1d8b h LEU 27 N 0.48 0.16 0.00 5.07 4.07 -0.98 -2.07 115.31 122.04 1d8b h LEU 27 Ca 0.06 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 1d8b h LEU 27 Cb 0.74 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1d8b h LEU 27 CO 0.06 0.64 -0.58 -1.13 -1.08 0.00 0.00 178.44 176.34 1d8b h ASN 28 N 0.12 0.00 -0.81 -0.43 -0.73 -1.23 -3.36 115.58 109.13 1d8b h ASN 28 Ca 0.00 -0.38 0.05 0.00 1.87 0.00 0.00 56.30 57.84 1d8b h ASN 28 Cb 0.93 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.47 1d8b h ASN 28 CO 0.07 1.02 0.53 -0.07 -0.37 0.00 0.00 177.43 178.61 1d8b h LEU 29 N -1.00 0.83 -1.59 0.34 3.38 -0.81 -1.48 115.31 114.98 1d8b h LEU 29 Ca -0.12 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1d8b h LEU 29 Cb 0.80 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1d8b h LEU 29 CO -0.07 0.56 0.34 1.23 0.09 0.00 0.00 178.44 180.58 1d8b h GLY 30 N 0.96 0.61 1.05 0.83 0.00 -1.56 0.16 103.07 105.11 1d8b h GLY 30 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1d8b h GLY 30 CO -0.11 0.17 -0.70 -2.01 0.00 0.00 0.00 176.54 173.89 1d8b n ASN 31 N -4.47 0.67 -0.31 0.19 5.15 -0.82 -0.31 115.26 115.35 1d8b n ASN 31 Ca 0.06 0.05 0.13 0.00 -0.60 0.00 0.00 54.58 54.22 1d8b n ASN 31 Cb 0.19 0.29 0.36 0.00 -0.53 0.00 0.00 39.78 40.08 1d8b n ASN 31 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1d8b n ARG 32 N -2.06 1.01 0.11 1.20 3.00 -0.11 -4.22 116.66 115.58 1d8b n ARG 32 Ca 0.03 -0.63 -0.13 0.00 -0.00 0.00 0.00 57.85 57.12 1d8b n ARG 32 Cb 0.44 -1.49 -0.08 0.00 0.00 0.00 0.00 32.46 31.33 1d8b n ARG 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1d8b h MET 33 N 1.54 -0.29 -4.99 -0.14 4.05 -1.20 -3.50 114.93 110.40 1d8b h MET 33 Ca 0.00 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1d8b h MET 33 Cb 0.54 0.07 -0.13 0.00 -0.80 0.00 0.00 31.60 31.28 1d8b h MET 33 CO 0.00 0.06 -1.56 0.28 0.23 0.00 0.00 176.91 175.92 1d8b n VAL 34 N -5.05-13.01 -2.15 -5.77 0.31 -1.26 -4.85 118.33 86.55 1d8b n VAL 34 Ca -0.09 2.85 -0.38 0.00 -0.01 0.00 0.00 64.34 66.71 1d8b n VAL 34 Cb 0.25 -6.52 0.00 0.00 -0.91 0.00 0.00 33.84 26.66 1d8b n VAL 34 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1d8b s PRO 35 N -0.66 3.67 0.18 5.55 0.02 -1.26 -5.08 135.00 137.42 1d8b s PRO 35 Ca -0.27 1.90 -0.33 0.00 0.02 0.00 0.00 61.00 62.32 1d8b s PRO 35 Cb 0.02 -2.42 -0.14 0.00 0.02 0.00 0.00 34.50 31.98 1d8b s PRO 35 CO 0.73 -0.66 1.46 -2.30 -0.33 0.00 0.00 177.00 175.90 1d8b n PRO 36 N -0.51 1.93 0.17 5.54 -0.02 -1.26 -4.89 135.00 135.96 1d8b n PRO 36 Ca 0.07 0.69 0.03 0.00 -2.02 0.00 0.00 63.50 62.28 1d8b n PRO 36 Cb 0.47 -2.39 0.24 0.00 -0.02 0.00 0.00 33.50 31.79 1d8b n PRO 36 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1d8b h VAL 37 N 3.32 1.00 0.00 -1.45 2.07 -1.01 -3.47 116.25 116.71 1d8b h VAL 37 Ca -0.45 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1d8b h VAL 37 Cb 1.28 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1d8b h VAL 37 CO 0.82 0.46 0.00 0.61 0.02 0.00 0.00 177.57 179.47 1d8b n GLY 38 N 0.47 1.88 2.61 2.17 0.00 -1.26 -4.65 105.19 106.41 1d8b n GLY 38 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1d8b n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1d8b s ASN 39 N 0.00 3.21 0.00 1.61 2.47 -1.26 -4.98 114.94 115.99 1d8b s ASN 39 Ca 0.00 -2.65 0.00 0.00 0.42 0.00 0.00 52.86 50.63 1d8b s ASN 39 Cb 0.00 -0.81 0.00 0.00 -1.45 0.00 0.00 41.25 38.99 1d8b s ASN 39 CO 0.00 -0.25 0.56 0.33 -3.72 0.00 0.00 177.10 174.02 1d8b n PHE 40 N 3.47 0.00 -4.80 0.43 7.35 -1.26 -4.61 117.46 118.04 1d8b n PHE 40 Ca 0.13 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.50 1d8b n PHE 40 Cb 0.37 -0.06 -0.16 0.00 0.35 0.00 0.00 39.48 39.99 1d8b n PHE 40 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1d8b s MET 41 N -1.24 3.20 0.61 -4.13 1.75 -1.26 -4.99 119.30 113.24 1d8b s MET 41 Ca 0.00 -0.77 -0.19 0.00 -1.25 0.00 0.00 55.69 53.48 1d8b s MET 41 Cb 0.00 -2.52 -0.03 0.00 2.84 0.00 0.00 34.83 35.12 1d8b s MET 41 CO 0.00 0.12 1.23 -2.14 -0.65 0.00 0.00 175.02 173.57 1d8b s PRO 42 N 0.55 2.87 0.39 4.11 0.02 -1.26 -4.79 135.00 136.90 1d8b s PRO 42 Ca -0.11 1.88 0.15 0.00 0.02 0.00 0.00 61.00 62.94 1d8b s PRO 42 Cb -0.16 -1.91 1.01 0.00 0.02 0.00 0.00 34.50 33.46 1d8b s PRO 42 CO 0.04 -1.30 1.82 0.22 -0.33 0.00 0.00 177.00 177.46 1d8b h ASP 43 N 0.80 0.50 0.32 2.53 3.58 -1.99 -0.80 116.42 121.36 1d8b h ASP 43 Ca -0.51 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 1d8b h ASP 43 Cb 1.31 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1d8b h ASP 43 CO 0.55 0.18 -0.15 0.77 -2.88 0.00 0.00 179.24 177.70 1d8b h SER 44 N 0.48 -0.36 -0.29 2.28 4.64 -2.01 -2.31 113.55 115.99 1d8b h SER 44 Ca 0.52 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.71 1d8b h SER 44 Cb 1.18 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1d8b h SER 44 CO -0.24 -0.16 -0.02 0.40 -0.87 0.00 0.00 176.83 175.94 1d8b h ILE 45 N -0.54 1.22 -0.55 0.95 1.08 -1.71 -2.51 117.51 115.45 1d8b h ILE 45 Ca -0.04 -0.91 -0.02 0.00 -0.39 0.00 0.00 64.86 63.50 1d8b h ILE 45 Cb 0.40 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1d8b h ILE 45 CO 0.07 0.32 0.28 -0.07 -0.69 0.00 0.00 178.15 178.05 1d8b h LEU 46 N 0.60 0.68 0.08 1.44 3.38 -1.06 -0.07 115.31 120.36 1d8b h LEU 46 Ca 0.12 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1d8b h LEU 46 Cb 0.40 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1d8b h LEU 46 CO 0.02 0.57 -0.04 0.11 0.09 0.00 0.00 178.44 179.19 1d8b h LYS 47 N 0.77 -0.10 -0.45 1.13 1.57 -0.99 -1.85 116.57 116.65 1d8b h LYS 47 Ca 0.19 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1d8b h LYS 47 Cb 0.06 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1d8b h LYS 47 CO -0.03 0.37 -0.18 1.57 -0.57 0.00 0.00 179.45 180.60 1d8b h LYS 48 N -0.63 0.88 -0.01 3.15 2.10 -1.40 -2.41 116.57 118.26 1d8b h LYS 48 Ca -0.01 -0.35 -0.10 0.00 -2.00 0.00 0.00 60.65 58.19 1d8b h LYS 48 Cb 0.52 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1d8b h LYS 48 CO 0.02 0.99 -0.49 0.00 -2.00 0.00 0.00 179.45 177.97 1d8b h MET 49 N 0.77 0.01 -0.03 0.07 -0.00 -1.09 -1.44 114.93 113.23 1d8b h MET 49 Ca 0.11 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.70 59.66 1d8b h MET 49 Cb 0.72 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.30 1d8b h MET 49 CO 0.06 0.50 -0.64 0.00 -0.00 0.00 0.00 176.91 176.82 1d8b h ALA 50 N 1.50 0.86 0.11 -3.00 0.00 -1.08 0.13 119.26 117.77 1d8b h ALA 50 Ca -0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.14 1d8b h ALA 50 Cb 0.87 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1d8b h ALA 50 CO 0.06 0.77 -0.88 0.00 0.00 0.00 0.00 179.25 179.20 1d8b h ALA 51 N 1.24 0.01 0.19 0.00 0.00 -1.20 -3.38 119.26 116.13 1d8b h ALA 51 Ca -0.01 -0.80 -0.32 0.00 0.00 0.00 0.00 54.91 53.77 1d8b h ALA 51 Cb 1.15 0.23 0.02 0.00 0.00 0.00 0.00 17.79 19.19 1d8b h ALA 51 CO 0.09 0.46 -1.51 0.82 0.00 0.00 0.00 179.25 179.11 1d8b h ILE 52 N -0.48 1.22 -5.75 0.00 5.03 -1.35 -3.49 117.51 112.68 1d8b h ILE 52 Ca -0.18 -2.74 -0.14 0.00 -0.12 0.00 0.00 64.86 61.68 1d8b h ILE 52 Cb 1.56 2.91 0.01 0.00 -3.03 0.00 0.00 36.82 38.27 1d8b h ILE 52 CO 0.08 0.84 -0.32 0.18 -0.68 0.00 0.00 178.15 178.25 1d8b n LEU 53 N -3.60 -5.42 -4.60 1.44 4.77 0.46 -4.82 117.00 105.22 1d8b n LEU 53 Ca -0.17 -0.34 -0.43 0.00 -0.03 0.00 0.00 56.01 55.04 1d8b n LEU 53 Cb 1.07 -2.86 -0.03 0.00 -2.33 0.00 0.00 43.42 39.27 1d8b n LEU 53 CO 0.55 -0.67 1.80 -2.84 -1.33 0.00 0.00 177.39 174.90 1d8b s PRO 54 N -3.61 3.14 0.27 3.23 0.02 -1.26 -4.83 135.00 131.96 1d8b s PRO 54 Ca 0.02 1.91 0.25 0.00 0.02 0.00 0.00 61.00 63.21 1d8b s PRO 54 Cb -0.01 -4.35 0.91 0.00 0.02 0.00 0.00 34.50 31.08 1d8b s PRO 54 CO 0.79 -2.10 1.75 0.52 -0.33 0.00 0.00 177.00 177.64 1d8b h MET 55 N 14.81 0.00 -4.10 5.54 2.86 -1.91 -3.45 114.93 128.67 1d8b h MET 55 Ca -0.39 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.12 1d8b h MET 55 Cb 1.23 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.75 1d8b h MET 55 CO 0.98 0.00 -0.50 1.21 1.06 0.00 0.00 176.91 179.66 1d8b s ASN 56 N -4.56 0.23 0.26 1.22 2.47 -1.26 -5.01 114.94 108.30 1d8b s ASN 56 Ca 0.07 -0.94 0.23 0.00 0.42 0.00 0.00 52.86 52.63 1d8b s ASN 56 Cb 0.10 0.32 1.00 0.00 -1.45 0.00 0.00 41.25 41.23 1d8b s ASN 56 CO 0.50 -0.75 1.69 0.47 -3.72 0.00 0.00 177.10 175.29 1d8b n ASP 57 N -0.08 0.63 -0.03 -4.21 9.92 -1.26 -2.54 116.55 118.98 1d8b n ASP 57 Ca -0.10 0.68 -0.15 0.00 -0.53 0.00 0.00 54.79 54.69 1d8b n ASP 57 Cb 0.63 -0.81 -0.09 0.00 -0.64 0.00 0.00 41.12 40.22 1d8b n ASP 57 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1d8b h SER 58 N 0.00 0.53 0.31 -2.24 4.64 -1.97 -3.13 113.55 111.69 1d8b h SER 58 Ca 0.00 -0.63 -0.04 0.00 -0.47 0.00 0.00 61.79 60.65 1d8b h SER 58 Cb 0.29 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1d8b h SER 58 CO 0.00 1.07 -0.17 0.00 -0.87 0.00 0.00 176.83 176.86 1d8b h ALA 59 N 0.47 1.43 -0.38 5.18 0.00 -1.89 -2.78 119.26 121.29 1d8b h ALA 59 Ca -0.02 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1d8b h ALA 59 Cb 1.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1d8b h ALA 59 CO 0.08 0.22 0.40 0.74 0.00 0.00 0.00 179.25 180.69 1d8b h PHE 60 N 0.00 0.00 0.00 0.00 0.04 -1.49 -1.19 116.94 114.30 1d8b h PHE 60 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1d8b h PHE 60 Cb 0.37 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 1d8b h PHE 60 CO 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 178.31 177.70 1d8b h ALA 61 N 1.55 1.59 -0.01 2.45 0.00 -1.64 -0.79 119.26 122.41 1d8b h ALA 61 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1d8b h ALA 61 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1d8b h ALA 61 CO -0.00 0.02 -0.06 0.25 0.00 0.00 0.00 179.25 179.45 1d8b n THR 62 N -3.96 0.00 0.20 0.00 -2.24 -0.45 -3.48 114.28 104.35 1d8b n THR 62 Ca -0.03 -0.11 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1d8b n THR 62 Cb 0.10 0.03 0.37 0.00 -2.10 0.00 0.00 70.33 68.72 1d8b n THR 62 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1d8b h LEU 63 N 1.03 0.00 0.00 3.22 3.38 -1.28 -3.49 115.31 118.17 1d8b h LEU 63 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1d8b h LEU 63 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1d8b h LEU 63 CO 0.00 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1d8b n GLY 64 N 0.24 0.90 2.37 0.83 0.00 -1.23 -4.85 105.19 103.45 1d8b n GLY 64 Ca -0.00 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 1d8b n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d8b n THR 65 N 0.00 0.48 -2.32 2.61 -2.24 -1.26 -4.93 114.28 106.62 1d8b n THR 65 Ca 0.00 -4.42 -0.42 0.00 -2.27 0.00 0.00 64.05 56.94 1d8b n THR 65 Cb 0.00 -1.99 -0.03 0.00 -2.10 0.00 0.00 70.33 66.21 1d8b n THR 65 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1d8b s VAL 66 N -1.47 3.79 0.60 2.28 -7.23 -1.26 -4.96 120.40 112.14 1d8b s VAL 66 Ca 0.35 1.26 -0.18 0.00 -1.81 0.00 0.00 61.98 61.61 1d8b s VAL 66 Cb 0.12 -3.81 -0.08 0.00 0.56 0.00 0.00 36.38 33.18 1d8b s VAL 66 CO -0.10 0.08 0.52 1.21 -0.31 0.00 0.00 175.10 176.50 1d8b n GLU 67 N 4.20 0.47 -0.36 4.82 2.13 -1.26 -4.66 120.64 125.99 1d8b n GLU 67 Ca 0.10 0.19 0.02 0.00 0.66 0.00 0.00 57.16 58.13 1d8b n GLU 67 Cb 0.45 -1.72 0.17 0.00 0.27 0.00 0.00 31.44 30.61 1d8b n GLU 67 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1d8b h ASP 68 N 0.12 1.05 0.80 4.31 1.82 -1.99 0.12 116.42 122.65 1d8b h ASP 68 Ca -0.46 -0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.10 1d8b h ASP 68 Cb 1.39 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 41.16 1d8b h ASP 68 CO 0.46 0.69 -0.39 0.07 -1.61 0.00 0.00 179.24 178.47 1d8b h LYS 69 N 1.20 0.00 -0.13 0.28 2.10 -1.98 -0.35 116.57 117.69 1d8b h LYS 69 Ca 0.41 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.83 1d8b h LYS 69 Cb 0.08 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.42 1d8b h LYS 69 CO -0.14 0.39 -0.80 1.88 -2.00 0.00 0.00 179.45 178.78 1d8b h TYR 70 N 0.00 1.00 -0.18 0.07 0.05 -1.20 -1.55 116.97 115.16 1d8b h TYR 70 Ca -0.00 -0.45 -0.12 0.00 0.05 0.00 0.00 58.73 58.20 1d8b h TYR 70 Cb 0.89 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 1d8b h TYR 70 CO 0.00 1.28 -0.41 0.00 -1.05 0.00 0.00 178.16 177.97 1d8b h ARG 71 N 0.49 0.41 -0.03 4.88 3.08 -0.74 -0.36 114.38 122.11 1d8b h ARG 71 Ca -0.06 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1d8b h ARG 71 Cb 1.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.47 1d8b h ARG 71 CO 0.16 0.76 0.01 -0.09 -1.07 0.00 0.00 179.97 179.74 1d8b h ARG 72 N 0.34 0.05 -0.00 0.04 2.43 -0.90 -2.73 114.38 113.61 1d8b h ARG 72 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1d8b h ARG 72 Cb 0.87 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1d8b h ARG 72 CO 0.07 0.24 -0.07 2.89 -1.51 0.00 0.00 179.97 181.60 1d8b n ARG 73 N -4.96 0.69 -0.09 0.20 0.00 -0.60 -3.71 116.66 108.19 1d8b n ARG 73 Ca -0.07 -0.17 0.21 0.00 -0.00 0.00 0.00 57.85 57.82 1d8b n ARG 73 Cb 0.13 -1.50 0.65 0.00 -0.00 0.00 0.00 32.46 31.74 1d8b n ARG 73 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 1d8b h PHE 74 N 0.42 0.13 -0.13 2.89 0.04 -0.73 0.12 116.94 119.69 1d8b h PHE 74 Ca 0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1d8b h PHE 74 Cb 0.31 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1d8b h PHE 74 CO 0.00 0.04 0.18 1.57 -0.60 0.00 0.00 178.31 179.50 1d8b h LYS 75 N 0.11 0.00 0.00 1.51 2.10 -1.72 0.35 116.57 118.92 1d8b h LYS 75 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 1d8b h LYS 75 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1d8b h LYS 75 CO -0.04 0.00 -0.07 0.66 -2.00 0.00 0.00 179.45 178.00 1d8b n TYR 76 N -3.62 0.04 0.21 0.07 4.01 0.42 -3.00 117.16 115.29 1d8b n TYR 76 Ca 0.00 0.01 0.07 0.00 -0.16 0.00 0.00 57.90 57.83 1d8b n TYR 76 Cb 0.28 -0.49 -0.10 0.00 -0.31 0.00 0.00 39.34 38.72 1d8b n TYR 76 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1d8b n PHE 77 N -1.53 0.00 0.08 -0.72 3.72 0.11 -4.47 117.46 114.65 1d8b n PHE 77 Ca 0.07 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.61 1d8b n PHE 77 Cb 0.34 -0.22 0.63 0.00 -0.94 0.00 0.00 39.48 39.29 1d8b n PHE 77 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1d8b h LYS 78 N 0.00 0.09 -0.03 -1.08 1.63 -1.00 0.30 116.57 116.47 1d8b h LYS 78 Ca 0.00 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.66 1d8b h LYS 78 Cb 0.56 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1d8b h LYS 78 CO 0.00 0.06 -0.58 0.00 -3.45 0.00 0.00 179.45 175.47 1d8b h ALA 79 N 1.82 0.96 0.12 5.00 0.00 -1.78 -2.60 119.26 122.78 1d8b h ALA 79 Ca 0.16 -0.53 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 1d8b h ALA 79 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1d8b h ALA 79 CO -0.01 0.72 -1.17 1.15 0.00 0.00 0.00 179.25 179.93 1d8b h THR 80 N 0.08 1.21 -0.52 0.00 2.02 -1.19 -3.04 112.91 111.47 1d8b h THR 80 Ca -0.00 -2.44 0.03 0.00 0.77 0.00 0.00 66.41 64.76 1d8b h THR 80 Cb 1.05 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 70.31 1d8b h THR 80 CO 0.08 0.69 0.35 0.40 0.37 0.00 0.00 175.52 177.41 1d8b h ILE 81 N -0.36 1.08 0.00 3.11 2.04 -0.58 0.31 117.51 123.10 1d8b h ILE 81 Ca -0.24 -0.21 -0.13 0.00 1.00 0.00 0.00 64.86 65.27 1d8b h ILE 81 Cb 1.69 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1d8b h ILE 81 CO 0.08 0.11 -0.64 0.00 0.00 0.00 0.00 178.15 177.71 1d8b h ALA 82 N 1.69 0.65 0.18 1.87 0.00 -1.58 -3.12 119.26 118.94 1d8b h ALA 82 Ca 0.21 -0.58 -0.28 0.00 0.00 0.00 0.00 54.91 54.25 1d8b h ALA 82 Cb 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1d8b h ALA 82 CO -0.05 0.80 -1.33 0.22 0.00 0.00 0.00 179.25 178.88 1d8b h ASP 83 N 0.00 0.58 0.24 0.00 3.58 -1.10 -3.30 116.42 116.42 1d8b h ASP 83 Ca -0.01 -0.92 -0.04 0.00 0.42 0.00 0.00 57.03 56.49 1d8b h ASP 83 Cb 1.40 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 1d8b h ASP 83 CO 0.08 1.62 -0.18 -0.07 -2.88 0.00 0.00 179.24 177.81 1d8b h LEU 84 N -0.12 0.00 -0.77 2.28 3.38 -0.54 -0.67 115.31 118.87 1d8b h LEU 84 Ca -0.25 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1d8b h LEU 84 Cb 1.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.64 1d8b h LEU 84 CO 0.17 0.18 -0.61 0.77 0.09 0.00 0.00 178.44 179.04 1d8b h SER 85 N 0.00 0.01 0.80 -0.43 4.64 -1.66 -0.27 113.55 116.64 1d8b h SER 85 Ca -0.00 -0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 1d8b h SER 85 Cb 0.35 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1d8b h SER 85 CO 0.02 0.62 -1.17 0.11 -0.87 0.00 0.00 176.83 175.54 1d8b h LYS 86 N 0.00 0.11 0.00 4.77 1.57 -1.43 -3.18 116.57 118.41 1d8b h LYS 86 Ca -0.01 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1d8b h LYS 86 Cb 1.09 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1d8b h LYS 86 CO 0.08 1.05 -0.09 1.63 -0.57 0.00 0.00 179.45 181.56 1d8b n LYS 87 N -3.40 0.15 0.26 3.15 4.76 -0.33 -3.33 118.16 119.42 1d8b n LYS 87 Ca -0.05 0.11 0.15 0.00 -2.87 0.00 0.00 58.31 55.64 1d8b n LYS 87 Cb 0.98 -1.66 0.67 0.00 -1.84 0.00 0.00 35.03 33.18 1d8b n LYS 87 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1d8b h ARG 88 N 0.00 0.00 -2.39 1.97 2.43 -1.02 -2.78 114.38 112.60 1d8b h ARG 88 Ca 0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 1d8b h ARG 88 Cb 0.63 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1d8b h ARG 88 CO 0.00 0.09 0.80 0.43 -1.51 0.00 0.00 179.97 179.78 1d8b n SER 89 N -3.28 5.61 -3.93 -3.80 7.64 -1.21 -4.61 113.62 110.03 1d8b n SER 89 Ca -0.00 -2.42 -0.30 0.00 1.01 0.00 0.00 58.87 57.16 1d8b n SER 89 Cb 0.31 -1.33 0.02 0.00 -1.01 0.00 0.00 64.21 62.21 1d8b n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1d8b n SER 90 N 2.88 -4.51 0.00 6.43 7.64 -1.24 -5.15 113.62 119.67 1d8b n SER 90 Ca 0.48 -0.80 0.15 0.00 1.01 0.00 0.00 58.87 59.71 1d8b n SER 90 Cb 0.65 -3.81 0.91 0.00 -1.01 0.00 0.00 64.21 60.96 1d8b n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41