#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8b n LEU 12 N 0.00 8.42 -4.54 4.31 4.77 -1.26 -4.91 117.00 123.79 1d8b n LEU 12 Ca 0.00 -4.45 -0.38 0.00 -0.03 0.00 0.00 56.01 51.15 1d8b n LEU 12 Cb 0.00 -1.53 -0.05 0.00 -2.33 0.00 0.00 43.42 39.51 1d8b n LEU 12 CO 0.00 1.97 2.03 -3.20 -1.33 0.00 0.00 177.39 176.86 1d8b n ASN 13 N 3.48 2.09 0.23 -1.43 2.85 -1.26 -4.79 115.26 116.43 1d8b n ASN 13 Ca 0.72 -0.30 0.07 0.00 -0.11 0.00 0.00 54.58 54.96 1d8b n ASN 13 Cb 0.25 -1.47 0.55 0.00 1.24 0.00 0.00 39.78 40.35 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 17.73 0.00 -0.44 1.20 -0.73 -1.91 -1.38 115.58 130.05 1d8b h ASN 14 Ca -0.23 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 57.93 1d8b h ASN 14 Cb 1.28 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.84 1d8b h ASN 14 CO 1.17 0.17 0.23 0.25 -0.37 0.00 0.00 177.43 178.88 1d8b h LEU 15 N 0.00 0.60 -0.50 0.34 6.46 -1.87 0.26 115.31 120.61 1d8b h LEU 15 Ca -0.00 -0.05 -0.14 0.00 -0.12 0.00 0.00 57.88 57.57 1d8b h LEU 15 Cb 0.32 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1d8b h LEU 15 CO 0.02 0.51 -0.30 -0.09 -0.62 0.00 0.00 178.44 177.96 1d8b h ARG 16 N 0.67 0.91 -0.24 1.25 9.65 -1.63 0.47 114.38 125.46 1d8b h ARG 16 Ca 0.17 -0.43 -0.08 0.00 -1.10 0.00 0.00 59.98 58.54 1d8b h ARG 16 Cb 0.07 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1d8b h ARG 16 CO -0.02 1.08 -0.21 1.98 2.80 0.00 0.00 179.97 185.60 1d8b h MET 17 N 0.77 0.44 0.19 0.20 4.05 -1.04 -0.56 114.93 118.98 1d8b h MET 17 Ca 0.08 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1d8b h MET 17 Cb 0.87 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1d8b h MET 17 CO 0.08 0.63 -0.09 1.15 0.23 0.00 0.00 176.91 178.90 1d8b h THR 18 N 0.40 0.91 -1.00 -0.77 2.02 -0.04 0.28 112.91 114.70 1d8b h THR 18 Ca 0.07 -0.61 0.06 0.00 0.77 0.00 0.00 66.41 66.70 1d8b h THR 18 Cb 0.58 1.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.20 1d8b h THR 18 CO 0.04 0.14 0.65 0.22 0.37 0.00 0.00 175.52 176.94 1d8b h TYR 19 N -0.56 1.21 -0.18 3.16 3.20 -0.74 0.24 116.97 123.29 1d8b h TYR 19 Ca -0.03 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1d8b h TYR 19 Cb 0.42 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1d8b h TYR 19 CO 0.02 0.64 -0.42 1.49 -1.64 0.00 0.00 178.16 178.25 1d8b h GLU 20 N 1.19 0.61 -0.29 1.82 4.81 -1.02 -1.80 114.58 119.89 1d8b h GLU 20 Ca 0.43 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1d8b h GLU 20 Cb 0.14 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1d8b h GLU 20 CO -0.16 1.02 0.10 -0.09 -0.73 0.00 0.00 179.01 179.15 1d8b h ARG 21 N 0.27 0.41 -0.26 1.92 9.65 0.19 -0.11 114.38 126.46 1d8b h ARG 21 Ca -0.00 -0.05 -0.17 0.00 -1.10 0.00 0.00 59.98 58.66 1d8b h ARG 21 Cb 1.03 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1d8b h ARG 21 CO 0.09 0.35 -0.50 -0.07 2.80 0.00 0.00 179.97 182.65 1d8b h LEU 22 N 0.41 0.88 -0.71 3.80 3.38 -0.89 -0.08 115.31 122.10 1d8b h LEU 22 Ca 0.10 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1d8b h LEU 22 Cb 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1d8b h LEU 22 CO -0.01 1.25 0.31 -0.09 0.09 0.00 0.00 178.44 179.99 1d8b h ARG 23 N 0.54 1.04 -0.22 1.13 2.43 -0.42 0.35 114.38 119.23 1d8b h ARG 23 Ca 0.01 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 58.85 1d8b h ARG 23 Cb 1.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1d8b h ARG 23 CO 0.11 0.85 -0.51 1.49 -1.51 0.00 0.00 179.97 180.40 1d8b h GLU 24 N 1.00 0.61 -0.12 0.20 4.81 -0.99 -2.72 114.58 117.38 1d8b h GLU 24 Ca 0.24 -0.37 -0.22 0.00 -0.13 0.00 0.00 59.36 58.89 1d8b h GLU 24 Cb 0.17 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1d8b h GLU 24 CO -0.02 0.97 -0.80 1.25 -0.73 0.00 0.00 179.01 179.69 1d8b h LEU 25 N 0.48 0.81 -0.94 1.64 6.46 -0.62 -1.46 115.31 121.68 1d8b h LEU 25 Ca 0.02 -0.54 -0.03 0.00 -0.12 0.00 0.00 57.88 57.21 1d8b h LEU 25 Cb 1.05 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1d8b h LEU 25 CO 0.10 1.33 0.36 0.28 -0.62 0.00 0.00 178.44 179.88 1d8b h SER 26 N 0.45 1.02 0.94 1.25 0.02 -0.29 0.59 113.55 117.52 1d8b h SER 26 Ca -0.05 -0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.59 1d8b h SER 26 Cb 1.41 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 1d8b h SER 26 CO 0.16 0.87 -0.84 -0.07 -1.14 0.00 0.00 176.83 175.80 1d8b h LEU 27 N 1.11 0.00 0.46 5.07 4.07 -1.47 -1.06 115.31 123.48 1d8b h LEU 27 Ca 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.20 1d8b h LEU 27 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1d8b h LEU 27 CO -0.03 0.84 -0.22 0.78 -1.08 0.00 0.00 178.44 178.73 1d8b h ASN 28 N 0.00 -0.52 0.16 -0.43 2.35 -0.71 -2.77 115.58 113.65 1d8b h ASN 28 Ca -0.01 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1d8b h ASN 28 Cb 1.54 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 40.03 1d8b h ASN 28 CO 0.11 -0.15 -0.27 -0.07 -1.65 0.00 0.00 177.43 175.41 1d8b h LEU 29 N -1.07 0.19 -1.30 1.61 3.38 -1.03 -2.60 115.31 114.48 1d8b h LEU 29 Ca -0.06 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1d8b h LEU 29 Cb 0.47 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1d8b h LEU 29 CO 0.10 0.46 0.14 1.23 0.09 0.00 0.00 178.44 180.46 1d8b h GLY 30 N 0.97 0.66 1.24 0.83 0.00 -1.25 -1.62 103.07 103.89 1d8b h GLY 30 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1d8b h GLY 30 CO 0.04 0.31 -0.45 -2.01 0.00 0.00 0.00 176.54 174.43 1d8b n ASN 31 N -4.34 0.51 -0.34 0.19 2.85 -1.05 -2.14 115.26 110.93 1d8b n ASN 31 Ca 0.03 0.03 0.13 0.00 -0.11 0.00 0.00 54.58 54.66 1d8b n ASN 31 Cb 0.17 0.07 0.42 0.00 1.24 0.00 0.00 39.78 41.68 1d8b n ASN 31 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1d8b n ARG 32 N -1.75 1.17 -3.73 1.20 0.63 -0.66 -4.85 116.66 108.67 1d8b n ARG 32 Ca 0.05 -0.69 -0.36 0.00 -0.92 0.00 0.00 57.85 55.93 1d8b n ARG 32 Cb 0.38 -1.49 -0.06 0.00 0.45 0.00 0.00 32.46 31.75 1d8b n ARG 32 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1d8b s MET 33 N -2.31 3.62 -0.20 -0.14 1.75 -0.89 -5.05 119.30 116.08 1d8b s MET 33 Ca 0.29 0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.76 1d8b s MET 33 Cb 0.20 -3.12 0.04 0.00 2.84 0.00 0.00 34.83 34.78 1d8b s MET 33 CO 0.45 0.68 -0.14 0.08 -0.65 0.00 0.00 175.02 175.44 1d8b s VAL 34 N -1.20 1.90 0.62 10.11 1.01 -1.26 -1.32 120.40 130.25 1d8b s VAL 34 Ca 0.24 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1d8b s VAL 34 Cb -0.14 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1d8b s VAL 34 CO 0.13 0.26 1.03 -2.16 0.00 0.00 0.00 175.10 174.36 1d8b s PRO 35 N 1.30 3.47 0.30 2.72 0.04 -1.26 -5.10 135.00 136.47 1d8b s PRO 35 Ca -0.01 0.89 -0.28 0.00 0.04 0.00 0.00 61.00 61.65 1d8b s PRO 35 Cb -0.16 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 1d8b s PRO 35 CO -0.09 -0.67 1.05 -2.30 0.04 0.00 0.00 177.00 175.02 1d8b n PRO 36 N -2.54 1.46 0.06 0.56 -0.02 -0.44 -4.93 135.00 129.15 1d8b n PRO 36 Ca 0.07 0.51 -0.21 0.00 -2.02 0.00 0.00 63.50 61.85 1d8b n PRO 36 Cb 0.54 -1.92 -0.12 0.00 -0.02 0.00 0.00 33.50 31.98 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 2.04 1.33 0.00 -1.45 2.07 -1.66 -3.48 116.25 115.10 1d8b h VAL 37 Ca -0.41 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 64.79 1d8b h VAL 37 Cb 1.33 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 1d8b h VAL 37 CO 0.61 0.70 0.00 0.61 0.02 0.00 0.00 177.57 179.51 1d8b n GLY 38 N 1.25 1.89 3.00 2.17 0.00 -1.26 -4.62 105.19 107.61 1d8b n GLY 38 Ca -0.12 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 5.37 0.20 1.61 2.47 -1.26 -4.91 114.94 118.42 1d8b s ASN 39 Ca 0.00 -3.74 -0.11 0.00 0.42 0.00 0.00 52.86 49.43 1d8b s ASN 39 Cb 0.00 -1.77 0.12 0.00 -1.45 0.00 0.00 41.25 38.15 1d8b s ASN 39 CO 0.00 -0.14 1.84 0.15 -3.72 0.00 0.00 177.10 175.23 1d8b h PHE 40 N 5.76 0.90 -2.96 0.43 3.57 -1.82 -3.42 116.94 119.41 1d8b h PHE 40 Ca 0.14 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.43 1d8b h PHE 40 Cb 0.79 -0.30 -0.31 0.00 2.79 0.00 0.00 35.95 38.92 1d8b h PHE 40 CO 0.70 0.60 -0.51 1.41 -2.23 0.00 0.00 178.31 178.28 1d8b s MET 41 N -6.00 0.17 0.58 1.11 1.75 -1.26 -4.99 119.30 110.66 1d8b s MET 41 Ca -0.13 0.63 -0.21 0.00 -1.25 0.00 0.00 55.69 54.73 1d8b s MET 41 Cb 0.14 -0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.68 1d8b s MET 41 CO 0.78 -0.22 1.34 -2.30 -0.65 0.00 0.00 175.02 173.97 1d8b n PRO 42 N 4.78 1.53 -0.35 4.11 -0.02 -1.26 -4.76 135.00 139.02 1d8b n PRO 42 Ca -0.16 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1d8b n PRO 42 Cb 0.51 -2.57 0.32 0.00 -0.02 0.00 0.00 33.50 31.75 1d8b n PRO 42 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1d8b h ASP 43 N 1.16 0.79 -0.18 2.55 3.58 -1.99 -0.07 116.42 122.26 1d8b h ASP 43 Ca -0.51 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 1d8b h ASP 43 Cb 1.31 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 1d8b h ASP 43 CO 0.56 0.28 0.06 0.77 -2.88 0.00 0.00 179.24 178.02 1d8b h SER 44 N 0.77 0.27 -0.55 2.28 4.64 -2.00 -2.05 113.55 116.91 1d8b h SER 44 Ca 0.58 -0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 1d8b h SER 44 Cb 0.90 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1d8b h SER 44 CO -0.38 0.40 0.09 0.40 -0.87 0.00 0.00 176.83 176.47 1d8b h ILE 45 N 0.12 1.25 -0.55 0.95 1.08 -1.65 -2.17 117.51 116.54 1d8b h ILE 45 Ca 0.06 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.56 1d8b h ILE 45 Cb 0.23 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1d8b h ILE 45 CO -0.00 0.36 0.32 -0.07 -0.69 0.00 0.00 178.15 178.07 1d8b h LEU 46 N 0.90 0.66 0.30 1.44 3.38 -0.90 -0.18 115.31 120.91 1d8b h LEU 46 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 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 0.01 0.52 -0.14 0.11 0.09 0.00 0.00 178.44 179.03 1d8b h LYS 47 N 0.76 -0.38 -0.59 1.13 1.57 -0.77 -2.18 116.57 116.10 1d8b h LYS 47 Ca 0.20 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1d8b h LYS 47 Cb -0.01 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1d8b h LYS 47 CO -0.04 -0.05 0.08 1.57 -0.57 0.00 0.00 179.45 180.45 1d8b h LYS 48 N -0.87 0.99 -0.02 3.15 2.10 -1.34 -2.30 116.57 118.28 1d8b h LYS 48 Ca -0.04 -0.28 -0.07 0.00 -2.00 0.00 0.00 60.65 58.26 1d8b h LYS 48 Cb 0.52 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1d8b h LYS 48 CO 0.07 0.94 -0.34 0.00 -2.00 0.00 0.00 179.45 178.12 1d8b h MET 49 N 0.89 0.03 -0.00 0.07 -0.00 -1.13 0.13 114.93 114.93 1d8b h MET 49 Ca 0.18 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.70 59.72 1d8b h MET 49 Cb 0.45 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.02 1d8b h MET 49 CO 0.01 0.37 -0.69 0.00 -0.00 0.00 0.00 176.91 176.61 1d8b h ALA 50 N 1.63 0.86 0.11 -3.00 0.00 -1.07 0.11 119.26 117.90 1d8b h ALA 50 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 54.91 53.97 1d8b h ALA 50 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1d8b h ALA 50 CO 0.05 0.86 -1.65 0.00 0.00 0.00 0.00 179.25 178.51 1d8b h ALA 51 N 1.31 0.27 0.11 0.00 0.00 -0.97 -3.38 119.26 116.59 1d8b h ALA 51 Ca -0.01 -1.22 -0.27 0.00 0.00 0.00 0.00 54.91 53.41 1d8b h ALA 51 Cb 1.22 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1d8b h ALA 51 CO 0.09 1.01 -1.26 0.82 0.00 0.00 0.00 179.25 179.91 1d8b h ILE 52 N -0.21 1.47 -6.11 0.00 5.03 -0.85 -3.49 117.51 113.35 1d8b h ILE 52 Ca -0.36 -3.07 -0.28 0.00 -0.12 0.00 0.00 64.86 61.03 1d8b h ILE 52 Cb 1.84 2.90 0.01 0.00 -3.03 0.00 0.00 36.82 38.55 1d8b h ILE 52 CO 0.05 0.89 -0.63 0.18 -0.68 0.00 0.00 178.15 177.96 1d8b n LEU 53 N -3.49 -4.01 -4.65 1.44 4.77 0.38 -4.90 117.00 106.53 1d8b n LEU 53 Ca -0.09 -0.62 -0.43 0.00 -0.03 0.00 0.00 56.01 54.85 1d8b n LEU 53 Cb 1.02 -2.43 -0.02 0.00 -2.33 0.00 0.00 43.42 39.66 1d8b n LEU 53 CO 0.52 -0.20 0.95 -2.16 -1.33 0.00 0.00 177.39 175.17 1d8b s PRO 54 N -4.34 4.20 0.00 3.23 0.05 -1.26 -4.83 135.00 132.05 1d8b s PRO 54 Ca 0.08 1.32 0.20 0.00 0.05 0.00 0.00 61.00 62.65 1d8b s PRO 54 Cb -0.03 -3.68 0.53 0.00 0.05 0.00 0.00 34.50 31.37 1d8b s PRO 54 CO 0.83 -0.72 1.45 -1.33 0.05 0.00 0.00 177.00 177.28 1d8b n MET 55 N 6.51 2.36 -3.68 4.56 2.81 -1.26 -4.83 117.12 123.59 1d8b n MET 55 Ca 0.12 -2.10 -0.11 0.00 -1.81 0.00 0.00 57.70 53.80 1d8b n MET 55 Cb 0.46 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.44 1d8b n MET 55 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1d8b s ASN 56 N -1.15 -0.20 0.27 7.83 3.84 -1.26 -5.00 114.94 119.27 1d8b s ASN 56 Ca 0.39 -0.24 0.01 0.00 0.21 0.00 0.00 52.86 53.23 1d8b s ASN 56 Cb 0.21 0.43 0.38 0.00 -0.55 0.00 0.00 41.25 41.72 1d8b s ASN 56 CO 0.28 -0.75 1.73 -0.78 -2.79 0.00 0.00 177.10 174.80 1d8b h ASP 57 N 2.73 0.60 0.49 -4.21 3.58 -1.99 -0.06 116.42 117.56 1d8b h ASP 57 Ca -0.33 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 56.92 1d8b h ASP 57 Cb 1.23 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 1d8b h ASP 57 CO 0.47 0.78 -0.09 0.77 -2.88 0.00 0.00 179.24 178.28 1d8b h SER 58 N 0.55 0.00 0.43 2.28 4.64 -2.01 -2.32 113.55 117.12 1d8b h SER 58 Ca 0.09 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.11 1d8b h SER 58 Cb 0.59 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.63 1d8b h SER 58 CO 0.04 0.09 -1.77 0.00 -0.87 0.00 0.00 176.83 174.32 1d8b n ALA 59 N -2.21 1.46 -0.00 5.18 0.00 -0.73 -4.11 120.51 120.10 1d8b n ALA 59 Ca -0.01 -0.80 0.23 0.00 0.00 0.00 0.00 53.44 52.86 1d8b n ALA 59 Cb 0.25 -0.79 0.71 0.00 0.00 0.00 0.00 19.45 19.61 1d8b n ALA 59 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1d8b h PHE 60 N 0.00 0.00 -0.00 0.00 0.04 -0.45 -0.05 116.94 116.49 1d8b h PHE 60 Ca -0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.46 1d8b h PHE 60 Cb 2.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.18 1d8b h PHE 60 CO 0.00 0.00 0.02 0.00 -0.60 0.00 0.00 178.31 177.74 1d8b h ALA 61 N 1.39 1.13 0.00 2.45 0.00 -1.71 -0.57 119.26 121.95 1d8b h ALA 61 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1d8b h ALA 61 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1d8b h ALA 61 CO -0.00 -0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.47 1d8b n THR 62 N -3.21 0.00 1.39 0.00 -2.24 -0.03 -3.11 114.28 107.08 1d8b n THR 62 Ca -0.03 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1d8b n THR 62 Cb 0.10 -0.50 0.70 0.00 -2.10 0.00 0.00 70.33 68.53 1d8b n THR 62 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1d8b n LEU 63 N -1.10 0.00 0.00 3.22 4.77 -0.22 -4.93 117.00 118.74 1d8b n LEU 63 Ca 0.21 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1d8b n LEU 63 Cb 0.16 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1d8b n LEU 63 CO 0.20 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1d8b n GLY 64 N 0.80 2.15 2.78 -0.72 0.00 -1.18 -4.69 105.19 104.32 1d8b n GLY 64 Ca 0.15 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1d8b n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d8b s THR 65 N 0.00 -0.42 -0.18 2.61 -4.23 -1.26 -5.06 115.64 107.09 1d8b s THR 65 Ca 0.00 -0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 1d8b s THR 65 Cb 0.00 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1d8b s THR 65 CO 0.00 -0.46 -0.14 0.68 -0.54 0.00 0.00 174.62 174.16 1d8b s VAL 66 N 2.27 2.64 0.66 2.29 -7.23 -1.26 -5.04 120.40 114.72 1d8b s VAL 66 Ca 0.10 -0.75 -0.17 0.00 -1.81 0.00 0.00 61.98 59.35 1d8b s VAL 66 Cb -0.14 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1d8b s VAL 66 CO -0.29 0.50 0.91 1.21 -0.31 0.00 0.00 175.10 177.12 1d8b n GLU 67 N 4.50 0.68 0.06 4.82 0.00 -1.26 -4.72 120.64 124.72 1d8b n GLU 67 Ca -0.20 0.28 0.04 0.00 0.00 0.00 0.00 57.16 57.29 1d8b n GLU 67 Cb 0.51 -2.14 0.45 0.00 0.00 0.00 0.00 31.44 30.25 1d8b n GLU 67 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1d8b h ASP 68 N 0.12 0.36 0.67 4.31 3.58 -1.99 0.18 116.42 123.65 1d8b h ASP 68 Ca -0.48 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 56.87 1d8b h ASP 68 Cb 1.36 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1d8b h ASP 68 CO 0.48 0.30 -0.38 0.07 -2.88 0.00 0.00 179.24 176.83 1d8b h LYS 69 N 0.42 0.00 0.01 0.28 2.10 -2.01 -2.48 116.57 114.88 1d8b h LYS 69 Ca 0.11 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.54 1d8b h LYS 69 Cb 0.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1d8b h LYS 69 CO -0.02 0.38 -0.92 1.88 -2.00 0.00 0.00 179.45 178.77 1d8b h TYR 70 N 0.00 0.48 -0.21 0.07 0.05 -1.08 -3.15 116.97 113.13 1d8b h TYR 70 Ca -0.00 -0.27 -0.05 0.00 0.05 0.00 0.00 58.73 58.46 1d8b h TYR 70 Cb 0.82 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 1d8b h TYR 70 CO 0.00 1.09 -0.11 -0.09 -1.05 0.00 0.00 178.16 177.99 1d8b h ARG 71 N 0.18 0.34 0.19 4.88 2.43 -0.53 -2.58 114.38 119.27 1d8b h ARG 71 Ca -0.07 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1d8b h ARG 71 Cb 1.56 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 1d8b h ARG 71 CO 0.15 0.46 -0.09 0.00 -1.51 0.00 0.00 179.97 178.98 1d8b h ARG 72 N 0.32 -0.24 0.00 0.20 3.08 -1.43 -3.07 114.38 113.24 1d8b h ARG 72 Ca 0.06 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1d8b h ARG 72 Cb 0.40 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1d8b h ARG 72 CO 0.02 -0.16 0.00 2.89 -1.07 0.00 0.00 179.97 181.65 1d8b n ARG 73 N -2.78 0.10 -0.11 0.04 0.00 -1.23 -2.17 116.66 110.50 1d8b n ARG 73 Ca -0.03 0.21 0.07 0.00 -0.00 0.00 0.00 57.85 58.10 1d8b n ARG 73 Cb 0.10 -1.50 0.40 0.00 -0.00 0.00 0.00 32.46 31.46 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 0.00 0.63 -0.18 2.89 0.04 -1.35 -1.66 116.94 117.31 1d8b h PHE 74 Ca 0.00 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.84 1d8b h PHE 74 Cb 0.06 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1d8b h PHE 74 CO 0.00 0.35 0.27 1.57 -0.60 0.00 0.00 178.31 179.90 1d8b h LYS 75 N 0.63 0.00 -0.00 1.51 2.10 -1.58 0.10 116.57 119.33 1d8b h LYS 75 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1d8b h LYS 75 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1d8b h LYS 75 CO -0.07 0.00 -0.10 0.66 -2.00 0.00 0.00 179.45 177.93 1d8b n TYR 76 N -3.50 0.00 0.27 0.07 4.01 -0.62 -3.49 117.16 113.90 1d8b n TYR 76 Ca 0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.82 1d8b n TYR 76 Cb 0.38 -0.24 -0.09 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.11 0.00 -0.29 -0.72 3.72 0.34 -4.63 117.46 114.78 1d8b n PHE 77 Ca 0.13 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.71 1d8b n PHE 77 Cb 0.28 -0.17 0.46 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.49 -0.14 -1.08 1.63 -1.55 0.14 116.57 116.07 1d8b h LYS 78 Ca 0.00 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 1d8b h LYS 78 Cb 0.48 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1d8b h LYS 78 CO 0.00 0.33 -0.27 0.00 -3.45 0.00 0.00 179.45 176.05 1d8b h ALA 79 N 1.62 1.29 0.12 5.00 0.00 -1.82 -1.25 119.26 124.21 1d8b h ALA 79 Ca 0.52 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.82 1d8b h ALA 79 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1d8b h ALA 79 CO -0.25 0.48 -1.51 1.15 0.00 0.00 0.00 179.25 179.13 1d8b h THR 80 N 0.23 0.96 -0.75 0.00 2.02 -1.38 -3.25 112.91 110.74 1d8b h THR 80 Ca 0.03 -2.39 0.01 0.00 0.77 0.00 0.00 66.41 64.84 1d8b h THR 80 Cb 0.61 2.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.64 1d8b h THR 80 CO 0.04 0.72 0.49 0.40 0.37 0.00 0.00 175.52 177.55 1d8b h ILE 81 N -0.27 1.18 -0.78 3.11 2.04 -0.80 -0.79 117.51 121.21 1d8b h ILE 81 Ca -0.33 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1d8b h ILE 81 Cb 1.79 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1d8b h ILE 81 CO 0.06 0.18 0.38 0.00 0.00 0.00 0.00 178.15 178.77 1d8b h ALA 82 N 1.28 1.20 -0.13 1.87 0.00 -1.38 0.73 119.26 122.84 1d8b h ALA 82 Ca 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1d8b h ALA 82 Cb -0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1d8b h ALA 82 CO -0.07 0.61 -0.10 0.22 0.00 0.00 0.00 179.25 179.92 1d8b h ASP 83 N 1.10 0.31 0.46 0.00 1.82 -1.45 -2.13 116.42 116.53 1d8b h ASP 83 Ca 0.27 -0.45 -0.11 0.00 -0.39 0.00 0.00 57.03 56.35 1d8b h ASP 83 Cb 0.10 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 1d8b h ASP 83 CO -0.04 0.69 -0.49 -0.07 -1.61 0.00 0.00 179.24 177.73 1d8b h LEU 84 N -0.07 0.04 -0.86 2.28 3.38 -1.01 0.66 115.31 119.73 1d8b h LEU 84 Ca 0.02 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1d8b h LEU 84 Cb 0.59 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1d8b h LEU 84 CO 0.03 0.53 -0.56 -1.28 0.09 0.00 0.00 178.44 177.25 1d8b h SER 85 N 0.03 0.00 0.30 -0.43 0.87 -0.84 -0.49 113.55 113.00 1d8b h SER 85 Ca -0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 1d8b h SER 85 Cb 0.88 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.87 1d8b h SER 85 CO 0.07 0.56 -1.40 0.50 -0.53 0.00 0.00 176.83 176.03 1d8b h LYS 86 N 0.00 0.52 0.00 2.24 3.64 -0.94 -3.25 116.57 118.77 1d8b h LYS 86 Ca -0.01 -0.83 0.00 0.00 -1.27 0.00 0.00 60.65 58.54 1d8b h LYS 86 Cb 1.00 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1d8b h LYS 86 CO 0.07 1.39 0.00 1.63 -2.27 0.00 0.00 179.45 180.28 1d8b n LYS 87 N -3.70 0.19 0.11 1.90 4.76 0.19 -3.31 118.16 118.30 1d8b n LYS 87 Ca -0.15 0.27 0.08 0.00 -2.87 0.00 0.00 58.31 55.64 1d8b n LYS 87 Cb 1.07 -1.77 0.56 0.00 -1.84 0.00 0.00 35.03 33.04 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 0.22 -0.65 1.97 2.43 -1.11 0.63 114.38 117.86 1d8b h ARG 88 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1d8b h ARG 88 Cb 0.54 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1d8b h ARG 88 CO 0.00 0.15 0.00 0.43 -1.51 0.00 0.00 179.97 179.04 1d8b n SER 89 N -4.50 3.60 -0.03 -3.80 7.64 -1.21 -4.30 113.62 111.02 1d8b n SER 89 Ca 0.01 -2.06 -0.06 0.00 1.01 0.00 0.00 58.87 57.78 1d8b n SER 89 Cb 0.15 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 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 1.34 2.42 0.00 6.43 7.64 -0.04 -5.17 113.62 126.24 1d8b n SER 90 Ca 0.22 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1d8b n SER 90 Cb 0.59 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1d8b n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41