#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8b h LEU 12 N 0.00 0.40 -7.80 4.31 3.38 -2.07 -3.36 115.31 110.17 1d8b h LEU 12 Ca 0.00 -0.13 -0.78 0.00 0.09 0.00 0.00 57.88 57.06 1d8b h LEU 12 Cb 0.00 -0.11 -0.27 0.00 0.09 0.00 0.00 40.66 40.37 1d8b h LEU 12 CO 0.00 0.64 0.07 0.54 0.09 0.00 0.00 178.44 179.78 1d8b s ASN 13 N -6.82 6.66 0.47 -0.43 2.20 -1.26 -4.84 114.94 110.91 1d8b s ASN 13 Ca -0.06 -2.73 0.24 0.00 -0.94 0.00 0.00 52.86 49.37 1d8b s ASN 13 Cb 0.14 -2.18 1.14 0.00 -2.00 0.00 0.00 41.25 38.35 1d8b s ASN 13 CO 0.78 -0.55 1.94 -1.13 -2.94 0.00 0.00 177.10 175.19 1d8b h ASN 14 N 7.69 0.00 -0.24 3.54 -0.73 -1.94 -1.98 115.58 121.92 1d8b h ASN 14 Ca 0.10 0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.34 1d8b h ASN 14 Cb 1.03 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.61 1d8b h ASN 14 CO 0.75 0.20 0.23 0.25 -0.37 0.00 0.00 177.43 178.49 1d8b h LEU 15 N 0.00 0.00 -1.08 0.34 6.46 -1.92 -0.45 115.31 118.66 1d8b h LEU 15 Ca -0.00 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1d8b h LEU 15 Cb 0.56 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.43 1d8b h LEU 15 CO 0.03 0.00 0.62 -0.09 -0.62 0.00 0.00 178.44 178.38 1d8b h ARG 16 N 0.00 1.14 -0.16 1.25 9.65 -1.76 -0.04 114.38 124.45 1d8b h ARG 16 Ca 0.12 -0.07 -0.16 0.00 -1.10 0.00 0.00 59.98 58.77 1d8b h ARG 16 Cb 0.58 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1d8b h ARG 16 CO -0.00 0.75 -0.57 0.52 2.80 0.00 0.00 179.97 183.47 1d8b h MET 17 N 1.17 0.50 0.21 0.20 2.86 -1.26 -0.34 114.93 118.27 1d8b h MET 17 Ca 0.38 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1d8b h MET 17 Cb 0.05 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1d8b h MET 17 CO -0.13 0.93 -0.10 1.15 1.06 0.00 0.00 176.91 179.82 1d8b h THR 18 N 0.38 0.81 -0.64 2.22 2.02 -1.20 0.17 112.91 116.68 1d8b h THR 18 Ca 0.00 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 1d8b h THR 18 Cb 1.11 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1d8b h THR 18 CO 0.10 0.02 0.14 0.22 0.37 0.00 0.00 175.52 176.37 1d8b h TYR 19 N -0.32 1.06 -0.30 3.16 3.20 -1.03 -2.22 116.97 120.52 1d8b h TYR 19 Ca -0.03 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.67 1d8b h TYR 19 Cb 0.25 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1d8b h TYR 19 CO -0.05 0.88 -0.02 1.49 -1.64 0.00 0.00 178.16 178.82 1d8b h GLU 20 N 0.96 0.55 -0.22 1.82 4.81 -0.79 -0.54 114.58 121.18 1d8b h GLU 20 Ca 0.20 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1d8b h GLU 20 Cb 0.36 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1d8b h GLU 20 CO 0.00 0.70 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.87 1d8b h ARG 21 N 0.33 0.33 -0.16 1.92 9.65 -0.55 0.17 114.38 126.08 1d8b h ARG 21 Ca 0.08 -0.06 -0.17 0.00 -1.10 0.00 0.00 59.98 58.73 1d8b h ARG 21 Cb 0.46 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1d8b h ARG 21 CO 0.02 0.38 -0.62 -0.07 2.80 0.00 0.00 179.97 182.48 1d8b h LEU 22 N 0.32 0.63 -0.55 3.80 3.38 -1.15 0.45 115.31 122.19 1d8b h LEU 22 Ca 0.07 -0.36 -0.15 0.00 0.09 0.00 0.00 57.88 57.53 1d8b h LEU 22 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1d8b h LEU 22 CO 0.01 1.09 -0.41 -0.09 0.09 0.00 0.00 178.44 179.14 1d8b h ARG 23 N 0.41 0.71 -0.24 1.13 2.43 -0.19 0.24 114.38 118.87 1d8b h ARG 23 Ca -0.01 -0.37 -0.16 0.00 -0.81 0.00 0.00 59.98 58.63 1d8b h ARG 23 Cb 1.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1d8b h ARG 23 CO 0.12 0.99 -0.50 1.49 -1.51 0.00 0.00 179.97 180.56 1d8b h GLU 24 N 0.58 0.67 -0.00 0.20 4.81 -0.55 -1.71 114.58 118.58 1d8b h GLU 24 Ca 0.05 -0.40 -0.24 0.00 -0.13 0.00 0.00 59.36 58.64 1d8b h GLU 24 Cb 0.95 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.37 1d8b h GLU 24 CO 0.09 1.01 -0.97 1.25 -0.73 0.00 0.00 179.01 179.66 1d8b h LEU 25 N 0.53 0.65 -1.42 1.64 6.46 -0.77 -2.28 115.31 120.12 1d8b h LEU 25 Ca 0.02 -0.52 -0.05 0.00 -0.12 0.00 0.00 57.88 57.22 1d8b h LEU 25 Cb 1.05 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1d8b h LEU 25 CO 0.10 1.32 -0.10 0.28 -0.62 0.00 0.00 178.44 179.42 1d8b h SER 26 N 0.28 0.24 0.69 1.25 0.02 -0.45 0.14 113.55 115.73 1d8b h SER 26 Ca -0.09 -0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 60.58 1d8b h SER 26 Cb 1.61 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 1d8b h SER 26 CO 0.18 0.38 -1.04 -0.07 -1.14 0.00 0.00 176.83 175.14 1d8b h LEU 27 N 0.25 0.27 0.31 5.07 4.07 -1.24 -2.18 115.31 121.85 1d8b h LEU 27 Ca 0.05 -0.26 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 1d8b h LEU 27 Cb 0.34 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1d8b h LEU 27 CO 0.02 1.14 -0.15 -1.13 -1.08 0.00 0.00 178.44 177.24 1d8b h ASN 28 N 0.08 -0.35 -0.56 -0.43 -0.73 -0.79 -2.87 115.58 109.93 1d8b h ASN 28 Ca -0.07 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 1d8b h ASN 28 Cb 1.74 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 40.39 1d8b h ASN 28 CO 0.16 0.08 0.29 -0.07 -0.37 0.00 0.00 177.43 177.53 1d8b h LEU 29 N -1.09 0.74 -1.66 0.34 3.38 -0.90 0.79 115.31 116.90 1d8b h LEU 29 Ca -0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1d8b h LEU 29 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1d8b h LEU 29 CO 0.07 0.62 -0.20 1.23 0.09 0.00 0.00 178.44 180.25 1d8b h GLY 30 N 0.91 0.00 0.10 0.83 0.00 -1.50 -2.06 103.07 101.36 1d8b h GLY 30 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1d8b h GLY 30 CO -0.03 0.00 -1.34 -2.01 0.00 0.00 0.00 176.54 173.17 1d8b n ASN 31 N -4.01 0.60 -0.25 0.19 2.85 -0.81 0.25 115.26 114.08 1d8b n ASN 31 Ca -0.02 -0.54 0.13 0.00 -0.11 0.00 0.00 54.58 54.04 1d8b n ASN 31 Cb 0.28 1.30 0.38 0.00 1.24 0.00 0.00 39.78 42.97 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 -1.83 0.84 -3.26 1.20 0.63 0.21 -4.80 116.66 109.65 1d8b n ARG 32 Ca 0.01 -0.49 -0.24 0.00 -0.92 0.00 0.00 57.85 56.21 1d8b n ARG 32 Cb 0.43 -1.49 -0.01 0.00 0.45 0.00 0.00 32.46 31.84 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 -2.50 3.45 -0.20 -0.14 1.75 -0.81 -5.03 119.30 115.83 1d8b s MET 33 Ca 0.24 -0.29 -0.00 0.00 -1.25 0.00 0.00 55.69 54.39 1d8b s MET 33 Cb 0.19 -2.62 0.05 0.00 2.84 0.00 0.00 34.83 35.29 1d8b s MET 33 CO 0.52 0.07 -0.05 0.08 -0.65 0.00 0.00 175.02 174.99 1d8b s VAL 34 N -2.39 1.26 0.63 10.11 1.01 -1.26 -1.94 120.40 127.82 1d8b s VAL 34 Ca 0.42 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1d8b s VAL 34 Cb -0.10 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1d8b s VAL 34 CO 0.37 0.02 1.04 -2.16 0.00 0.00 0.00 175.10 174.37 1d8b s PRO 35 N 1.54 3.45 0.03 2.72 0.04 -1.26 -5.07 135.00 136.46 1d8b s PRO 35 Ca -0.02 0.68 -0.35 0.00 0.04 0.00 0.00 61.00 61.35 1d8b s PRO 35 Cb -0.17 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.16 1d8b s PRO 35 CO -0.07 -0.65 1.60 -2.30 0.04 0.00 0.00 177.00 175.62 1d8b n PRO 36 N -2.79 1.77 -0.09 0.56 -0.02 -0.82 -4.88 135.00 128.73 1d8b n PRO 36 Ca 0.06 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1d8b n PRO 36 Cb 0.55 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 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 4.15 1.30 0.00 -1.45 2.07 -0.45 -3.47 116.25 118.40 1d8b h VAL 37 Ca -0.47 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1d8b h VAL 37 Cb 1.29 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1d8b h VAL 37 CO 0.88 0.42 0.00 0.61 0.02 0.00 0.00 177.57 179.50 1d8b n GLY 38 N 0.07 2.07 2.69 2.17 0.00 -1.19 -4.47 105.19 106.52 1d8b n GLY 38 Ca -0.04 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1d8b n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1d8b n ASN 39 N 3.99 6.93 0.00 1.61 6.94 -1.26 -4.87 115.26 128.59 1d8b n ASN 39 Ca 0.00 -3.68 0.00 0.00 -0.02 0.00 0.00 54.58 50.88 1d8b n ASN 39 Cb 0.00 -1.09 0.00 0.00 -2.36 0.00 0.00 39.78 36.33 1d8b n ASN 39 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1d8b n PHE 40 N -0.04 0.00 -4.17 -2.53 7.35 -1.26 -4.35 117.46 112.45 1d8b n PHE 40 Ca 0.44 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.79 1d8b n PHE 40 Cb 0.28 -0.00 -0.12 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 -1.01 3.66 0.49 -4.13 1.75 -1.26 -5.02 119.30 113.78 1d8b s MET 41 Ca 0.00 -0.51 -0.23 0.00 -1.25 0.00 0.00 55.69 53.70 1d8b s MET 41 Cb 0.00 -3.04 -0.07 0.00 2.84 0.00 0.00 34.83 34.56 1d8b s MET 41 CO 0.00 0.10 1.32 -2.30 -0.65 0.00 0.00 175.02 173.49 1d8b n PRO 42 N 3.98 1.82 -0.33 4.11 -0.02 -1.26 -4.74 135.00 138.56 1d8b n PRO 42 Ca -0.17 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1d8b n PRO 42 Cb 0.52 -2.50 0.34 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.73 0.74 -0.59 2.55 1.82 -1.98 0.98 116.42 121.68 1d8b h ASP 43 Ca -0.50 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.19 1d8b h ASP 43 Cb 1.30 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 41.21 1d8b h ASP 43 CO 0.58 0.31 0.29 0.77 -1.61 0.00 0.00 179.24 179.58 1d8b h SER 44 N 0.75 0.76 -0.01 2.28 4.64 -2.00 -1.41 113.55 118.57 1d8b h SER 44 Ca 0.53 -0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 61.54 1d8b h SER 44 Cb 0.84 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1d8b h SER 44 CO -0.30 0.68 -0.62 0.40 -0.87 0.00 0.00 176.83 176.11 1d8b h ILE 45 N 0.80 1.32 -0.54 0.95 1.08 -1.44 -2.81 117.51 116.88 1d8b h ILE 45 Ca 0.20 -1.89 -0.06 0.00 -0.39 0.00 0.00 64.86 62.73 1d8b h ILE 45 Cb 0.11 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 1d8b h ILE 45 CO -0.03 0.59 0.10 -0.07 -0.69 0.00 0.00 178.15 178.05 1d8b h LEU 46 N 0.46 0.79 0.04 1.44 3.38 -0.66 -0.03 115.31 120.73 1d8b h LEU 46 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1d8b h LEU 46 Cb 1.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1d8b h LEU 46 CO 0.12 0.79 -0.02 0.11 0.09 0.00 0.00 178.44 179.53 1d8b h LYS 47 N 0.80 -0.05 -0.39 1.13 1.57 -1.20 -1.82 116.57 116.61 1d8b h LYS 47 Ca 0.17 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 1d8b h LYS 47 Cb 0.34 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1d8b h LYS 47 CO 0.00 0.31 -0.38 1.57 -0.57 0.00 0.00 179.45 180.39 1d8b h LYS 48 N -0.43 0.94 -0.07 3.15 2.10 -1.44 -2.28 116.57 118.54 1d8b h LYS 48 Ca -0.01 -0.49 -0.06 0.00 -2.00 0.00 0.00 60.65 58.09 1d8b h LYS 48 Cb 0.39 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1d8b h LYS 48 CO 0.01 1.15 -0.23 0.00 -2.00 0.00 0.00 179.45 178.37 1d8b h MET 49 N 0.77 0.13 0.00 0.07 -0.00 -1.05 0.89 114.93 115.74 1d8b h MET 49 Ca 0.06 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.70 59.55 1d8b h MET 49 Cb 0.97 -0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.54 1d8b h MET 49 CO 0.09 0.36 -0.86 0.00 -0.00 0.00 0.00 176.91 176.50 1d8b h ALA 50 N 1.65 0.58 0.24 -3.00 0.00 -1.20 0.11 119.26 117.64 1d8b h ALA 50 Ca 0.02 -0.77 -0.32 0.00 0.00 0.00 0.00 54.91 53.84 1d8b h ALA 50 Cb 0.48 -0.13 0.04 0.00 0.00 0.00 0.00 17.79 18.18 1d8b h ALA 50 CO 0.03 1.05 -1.39 0.00 0.00 0.00 0.00 179.25 178.94 1d8b h ALA 51 N 1.12 -0.15 0.09 0.00 0.00 -0.83 -3.37 119.26 116.12 1d8b h ALA 51 Ca -0.01 -0.84 -0.32 0.00 0.00 0.00 0.00 54.91 53.74 1d8b h ALA 51 Cb 1.52 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1d8b h ALA 51 CO 0.12 0.65 -1.72 0.82 0.00 0.00 0.00 179.25 179.11 1d8b h ILE 52 N 0.08 0.92 -5.89 0.00 5.03 -0.93 -3.50 117.51 113.22 1d8b h ILE 52 Ca -0.24 -2.63 -0.20 0.00 -0.12 0.00 0.00 64.86 61.67 1d8b h ILE 52 Cb 2.10 2.60 0.01 0.00 -3.03 0.00 0.00 36.82 38.50 1d8b h ILE 52 CO 0.26 0.77 -0.45 0.18 -0.68 0.00 0.00 178.15 178.23 1d8b n LEU 53 N -3.37 -4.87 -4.60 1.44 4.77 0.39 -4.90 117.00 105.85 1d8b n LEU 53 Ca -0.21 -0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 54.89 1d8b n LEU 53 Cb 1.05 -2.68 -0.02 0.00 -2.33 0.00 0.00 43.42 39.43 1d8b n LEU 53 CO 0.47 -0.49 1.04 -2.84 -1.33 0.00 0.00 177.39 174.24 1d8b s PRO 54 N -3.86 3.74 0.40 3.23 0.02 -1.26 -4.88 135.00 132.39 1d8b s PRO 54 Ca 0.04 0.65 0.26 0.00 0.02 0.00 0.00 61.00 61.96 1d8b s PRO 54 Cb -0.01 -3.90 0.71 0.00 0.02 0.00 0.00 34.50 31.31 1d8b s PRO 54 CO 0.81 -1.36 1.73 0.52 -0.33 0.00 0.00 177.00 178.37 1d8b h MET 55 N 9.25 0.00 -4.51 5.54 2.86 -1.90 -3.46 114.93 122.71 1d8b h MET 55 Ca -0.23 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.14 1d8b h MET 55 Cb 1.06 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.59 1d8b h MET 55 CO 1.12 0.00 -0.50 0.54 1.06 0.00 0.00 176.91 179.13 1d8b s ASN 56 N -5.56 0.52 0.27 1.22 2.20 -1.26 -4.92 114.94 107.41 1d8b s ASN 56 Ca 0.06 -1.43 -0.03 0.00 -0.94 0.00 0.00 52.86 50.53 1d8b s ASN 56 Cb 0.08 0.47 0.38 0.00 -2.00 0.00 0.00 41.25 40.17 1d8b s ASN 56 CO 0.60 -0.96 1.93 -0.78 -2.94 0.00 0.00 177.10 174.95 1d8b h ASP 57 N 2.43 1.05 -0.58 3.54 3.58 -2.00 -1.55 116.42 122.90 1d8b h ASP 57 Ca -0.32 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.03 1d8b h ASP 57 Cb 1.25 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 1d8b h ASP 57 CO 0.46 0.72 0.01 0.77 -2.88 0.00 0.00 179.24 178.32 1d8b h SER 58 N 1.22 1.00 0.51 2.28 4.64 -1.99 -2.24 113.55 118.97 1d8b h SER 58 Ca 0.37 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1d8b h SER 58 Cb -0.02 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1d8b h SER 58 CO -0.11 1.05 -0.21 0.00 -0.87 0.00 0.00 176.83 176.69 1d8b h ALA 59 N 1.05 1.24 0.00 5.18 0.00 -1.79 -2.39 119.26 122.54 1d8b h ALA 59 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1d8b h ALA 59 Cb 0.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1d8b h ALA 59 CO 0.03 0.27 -0.05 0.74 0.00 0.00 0.00 179.25 180.23 1d8b h PHE 60 N 0.00 0.00 -0.30 0.00 0.04 -0.66 -2.90 116.94 113.11 1d8b h PHE 60 Ca -0.00 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.85 1d8b h PHE 60 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1d8b h PHE 60 CO 0.00 0.05 0.28 0.00 -0.60 0.00 0.00 178.31 178.04 1d8b h ALA 61 N 1.95 2.05 0.00 2.45 0.00 -1.46 0.85 119.26 125.10 1d8b h ALA 61 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1d8b h ALA 61 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1d8b h ALA 61 CO 0.01 -0.43 0.00 0.25 0.00 0.00 0.00 179.25 179.08 1d8b n THR 62 N -3.97 0.02 1.15 0.00 -2.24 -1.10 -2.59 114.28 105.55 1d8b n THR 62 Ca 0.04 0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.88 1d8b n THR 62 Cb 0.43 -0.58 0.15 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.04 1.46 0.00 3.22 4.77 0.29 -4.95 117.00 120.75 1d8b n LEU 63 Ca 0.20 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1d8b n LEU 63 Cb 0.11 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1d8b n LEU 63 CO 0.16 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1d8b n GLY 64 N 0.95 2.26 3.22 -0.72 0.00 -1.07 -4.63 105.19 105.21 1d8b n GLY 64 Ca 0.10 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.76 -0.30 2.61 -4.23 -1.26 -4.95 115.64 106.75 1d8b s THR 65 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1d8b s THR 65 Cb 0.00 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.85 1d8b s THR 65 CO 0.00 0.00 0.09 0.68 -0.54 0.00 0.00 174.62 174.85 1d8b s VAL 66 N 2.85 4.06 0.96 2.29 -7.23 -1.26 -5.09 120.40 116.99 1d8b s VAL 66 Ca 0.10 -0.66 -0.11 0.00 -1.81 0.00 0.00 61.98 59.50 1d8b s VAL 66 Cb -0.12 -3.10 0.16 0.00 0.56 0.00 0.00 36.38 33.88 1d8b s VAL 66 CO -0.18 0.07 1.04 -0.62 -0.31 0.00 0.00 175.10 175.11 1d8b n GLU 67 N 4.88 -0.76 -0.20 4.82 1.02 -1.26 -4.68 120.64 124.47 1d8b n GLU 67 Ca -0.14 -0.16 0.07 0.00 -0.02 0.00 0.00 57.16 56.91 1d8b n GLU 67 Cb 0.48 -2.29 0.35 0.00 -0.02 0.00 0.00 31.44 29.96 1d8b n GLU 67 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1d8b h ASP 68 N -1.99 0.67 0.14 1.62 3.58 -1.99 0.18 116.42 118.63 1d8b h ASP 68 Ca -0.46 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 1d8b h ASP 68 Cb 1.28 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 1d8b h ASP 68 CO 0.41 0.42 -0.06 0.07 -2.88 0.00 0.00 179.24 177.20 1d8b h LYS 69 N 0.75 0.00 0.06 0.28 2.10 -2.02 -1.98 116.57 115.76 1d8b h LYS 69 Ca 0.34 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.69 1d8b h LYS 69 Cb 0.35 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.65 1d8b h LYS 69 CO -0.12 0.06 -1.61 1.88 -2.00 0.00 0.00 179.45 177.65 1d8b h TYR 70 N 0.00 0.22 -0.32 0.07 0.05 -1.01 -3.35 116.97 112.63 1d8b h TYR 70 Ca -0.00 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.57 1d8b h TYR 70 Cb 0.14 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1d8b h TYR 70 CO 0.00 1.25 -0.01 0.00 -1.05 0.00 0.00 178.16 178.34 1d8b h ARG 71 N 0.03 0.49 -0.94 4.88 2.47 -0.52 -2.55 114.38 118.24 1d8b h ARG 71 Ca -0.26 -0.10 0.02 0.00 -1.26 0.00 0.00 59.98 58.37 1d8b h ARG 71 Cb 1.99 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 30.19 1d8b h ARG 71 CO 0.11 0.53 0.62 0.00 0.56 0.00 0.00 179.97 181.79 1d8b h ARG 72 N 0.47 1.20 -0.00 0.04 3.08 -1.58 -0.11 114.38 117.49 1d8b h ARG 72 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1d8b h ARG 72 Cb 0.33 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1d8b h ARG 72 CO 0.01 0.80 -0.03 0.54 -1.07 0.00 0.00 179.97 180.22 1d8b n ARG 73 N -4.45 0.30 0.08 0.04 3.00 -1.01 -3.15 116.66 111.46 1d8b n ARG 73 Ca 0.11 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.85 57.82 1d8b n ARG 73 Cb 0.04 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 30.96 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 0.05 0.46 0.00 -1.55 0.04 -0.63 -3.03 116.94 112.28 1d8b h PHE 74 Ca 0.00 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 1d8b h PHE 74 Cb 0.37 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 1d8b h PHE 74 CO 0.00 1.09 -0.05 1.57 -0.60 0.00 0.00 178.31 180.32 1d8b h LYS 75 N 0.16 0.00 -0.00 1.51 2.10 -1.46 0.74 116.57 119.62 1d8b h LYS 75 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1d8b h LYS 75 Cb 1.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 1d8b h LYS 75 CO 0.16 0.05 -0.27 0.66 -2.00 0.00 0.00 179.45 178.05 1d8b n TYR 76 N -3.43 0.00 0.12 0.07 4.01 -1.15 -3.94 117.16 112.83 1d8b n TYR 76 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 1d8b n TYR 76 Cb 0.18 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 38.94 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 -1.10 0.00 -0.27 -0.72 3.72 0.05 -4.69 117.46 114.44 1d8b n PHE 77 Ca 0.10 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.70 1d8b n PHE 77 Cb 0.32 -0.09 0.51 0.00 -0.94 0.00 0.00 39.48 39.28 1d8b n PHE 77 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1d8b h LYS 78 N 0.00 0.40 -0.26 -1.08 1.79 -1.11 0.37 116.57 116.67 1d8b h LYS 78 Ca 0.00 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.33 1d8b h LYS 78 Cb 0.25 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1d8b h LYS 78 CO 0.00 0.26 -0.33 0.00 -1.08 0.00 0.00 179.45 178.30 1d8b h ALA 79 N 1.61 0.93 0.07 3.86 0.00 -1.84 -1.65 119.26 122.24 1d8b h ALA 79 Ca 0.50 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1d8b h ALA 79 Cb 1.26 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.95 1d8b h ALA 79 CO -0.21 0.62 -0.77 1.15 0.00 0.00 0.00 179.25 180.04 1d8b h THR 80 N 0.48 1.43 -0.77 0.00 2.02 -1.05 -2.87 112.91 112.16 1d8b h THR 80 Ca 0.05 -2.29 -0.00 0.00 0.77 0.00 0.00 66.41 64.94 1d8b h THR 80 Cb 0.81 2.82 -0.04 0.00 -1.74 0.00 0.00 68.15 70.00 1d8b h THR 80 CO 0.07 0.66 0.47 0.40 0.37 0.00 0.00 175.52 177.49 1d8b h ILE 81 N -0.14 1.21 -0.43 3.11 2.04 -0.39 -0.06 117.51 122.85 1d8b h ILE 81 Ca -0.12 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1d8b h ILE 81 Cb 1.52 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1d8b h ILE 81 CO 0.15 0.22 -0.05 0.00 0.00 0.00 0.00 178.15 178.47 1d8b h ALA 82 N 1.46 0.58 0.12 1.87 0.00 -1.36 -0.70 119.26 121.23 1d8b h ALA 82 Ca 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1d8b h ALA 82 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1d8b h ALA 82 CO -0.05 0.42 -0.06 0.22 0.00 0.00 0.00 179.25 179.78 1d8b h ASP 83 N 0.62 -0.13 0.33 0.00 1.82 -1.18 -1.04 116.42 116.84 1d8b h ASP 83 Ca 0.12 -0.17 -0.05 0.00 -0.39 0.00 0.00 57.03 56.54 1d8b h ASP 83 Cb 0.56 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1d8b h ASP 83 CO 0.03 0.09 -0.23 -0.07 -1.61 0.00 0.00 179.24 177.45 1d8b h LEU 84 N -0.36 0.00 -0.62 2.28 3.38 -1.03 -0.87 115.31 118.08 1d8b h LEU 84 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1d8b h LEU 84 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1d8b h LEU 84 CO 0.03 0.23 -0.67 -1.28 0.09 0.00 0.00 178.44 176.84 1d8b h SER 85 N 0.00 0.11 0.68 -0.43 0.87 -0.91 -2.05 113.55 111.82 1d8b h SER 85 Ca -0.00 -0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.34 1d8b h SER 85 Cb 0.46 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1d8b h SER 85 CO 0.03 0.75 -0.68 0.50 -0.53 0.00 0.00 176.83 176.90 1d8b h LYS 86 N 0.06 0.00 -0.11 2.24 3.64 -0.28 -2.82 116.57 119.31 1d8b h LYS 86 Ca -0.01 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1d8b h LYS 86 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1d8b h LYS 86 CO 0.09 0.68 -0.46 0.87 -2.27 0.00 0.00 179.45 178.37 1d8b h LYS 87 N 0.00 0.26 -7.19 1.90 1.79 -0.82 -3.44 116.57 109.07 1d8b h LYS 87 Ca -0.01 -0.14 -0.54 0.00 -2.18 0.00 0.00 60.65 57.79 1d8b h LYS 87 Cb 1.21 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 32.03 1d8b h LYS 87 CO 0.09 0.67 0.37 0.50 -1.08 0.00 0.00 179.45 180.00 1d8b s ARG 88 N -4.06 1.85 0.00 3.15 6.06 -0.81 -2.32 118.95 122.83 1d8b s ARG 88 Ca -0.05 1.78 0.00 0.00 -2.50 0.00 0.00 55.73 54.96 1d8b s ARG 88 Cb 0.13 -1.80 0.00 0.00 0.06 0.00 0.00 34.95 33.34 1d8b s ARG 88 CO 0.78 -2.06 0.00 0.43 -2.50 0.00 0.00 175.30 171.95 1d8b n SER 89 N -3.03 0.00 -0.02 -2.12 7.64 -1.26 -4.66 113.62 110.17 1d8b n SER 89 Ca 0.14 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.05 1d8b n SER 89 Cb 0.50 -0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.00 1.78 0.00 6.43 7.64 -0.98 -5.24 113.62 123.25 1d8b n SER 90 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1d8b n SER 90 Cb 0.00 1.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 1d8b n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41