#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b n GLY 4 N 0.00 1.63 2.94 7.39 0.00 -1.26 -4.90 105.19 111.00 1d3b n GLY 4 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1d3b n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d3b s VAL 5 N -0.17 1.21 0.23 1.61 1.01 -1.26 -5.03 120.40 118.01 1d3b s VAL 5 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 1d3b s VAL 5 Cb 0.00 -1.20 0.29 0.00 0.00 0.00 0.00 36.38 35.47 1d3b s VAL 5 CO 0.00 0.39 1.57 -0.65 0.00 0.00 0.00 175.10 176.42 1d3b h PRO 6 N 8.13 -0.03 -0.62 2.72 0.11 -2.00 0.25 132.00 140.56 1d3b h PRO 6 Ca -0.33 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.79 1d3b h PRO 6 Cb 1.13 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1d3b h PRO 6 CO 0.45 -0.02 0.41 0.97 -0.21 0.00 0.00 178.00 179.60 1d3b h ILE 7 N -0.03 1.16 -0.55 4.15 6.09 -1.96 -1.65 117.51 124.71 1d3b h ILE 7 Ca 0.36 -0.29 -0.06 0.00 -1.37 0.00 0.00 64.86 63.50 1d3b h ILE 7 Cb 0.61 0.25 -0.02 0.00 0.47 0.00 0.00 36.82 38.13 1d3b h ILE 7 CO -0.89 0.15 0.12 0.11 -3.07 0.00 0.00 178.15 174.57 1d3b h LYS 8 N 0.83 0.90 -0.78 2.19 1.57 -0.93 0.24 116.57 120.59 1d3b h LYS 8 Ca 0.23 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1d3b h LYS 8 Cb -0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1d3b h LYS 8 CO -0.05 0.85 0.30 0.28 -0.57 0.00 0.00 179.45 180.27 1d3b h VAL 9 N 0.79 1.26 -0.24 0.50 2.07 -0.69 -1.33 116.25 118.62 1d3b h VAL 9 Ca 0.17 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1d3b h VAL 9 Cb 0.37 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1d3b h VAL 9 CO 0.01 0.34 0.08 0.25 0.02 0.00 0.00 177.57 178.26 1d3b h LEU 10 N 1.14 0.34 -1.71 2.57 5.85 -0.90 -2.33 115.31 120.27 1d3b h LEU 10 Ca 0.26 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1d3b h LEU 10 Cb 0.23 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1d3b h LEU 10 CO -0.02 0.45 0.29 0.45 -0.34 0.00 0.00 178.44 179.28 1d3b h HIS 11 N 0.22 0.36 0.00 1.25 3.86 -0.69 0.14 115.15 120.29 1d3b h HIS 11 Ca 0.08 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1d3b h HIS 11 Cb 0.23 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1d3b h HIS 11 CO 0.00 0.20 0.00 0.93 0.86 0.00 0.00 177.93 179.92 1d3b h GLU 12 N 0.36 0.00 0.00 2.45 5.08 -0.71 -2.59 114.58 119.17 1d3b h GLU 12 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1d3b h GLU 12 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1d3b h GLU 12 CO -0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 179.01 177.75 1d3b n ALA 13 N -1.99 2.81 -1.71 3.43 0.00 0.50 -4.89 120.51 118.66 1d3b n ALA 13 Ca 0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1d3b n ALA 13 Cb 0.28 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 1d3b n ALA 13 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1d3b n GLU 14 N -1.57 2.30 -0.10 0.00 1.02 -0.98 -0.69 120.64 120.61 1d3b n GLU 14 Ca 0.06 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1d3b n GLU 14 Cb 0.35 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 1d3b n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d3b n GLY 15 N 1.71 0.96 3.66 0.62 0.00 0.42 -5.00 105.19 107.56 1d3b n GLY 15 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1d3b n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d3b s HIS 16 N -2.46 2.56 -0.07 1.61 3.76 0.13 -4.87 115.29 115.95 1d3b s HIS 16 Ca 0.00 -0.51 -0.26 0.00 -0.15 0.00 0.00 55.06 54.14 1d3b s HIS 16 Cb 0.00 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.01 1d3b s HIS 16 CO 0.00 0.40 0.83 0.42 -0.85 0.00 0.00 174.74 175.53 1d3b s ILE 17 N -2.56 4.95 0.27 0.60 1.01 -1.26 0.19 121.20 124.39 1d3b s ILE 17 Ca 0.36 1.70 0.06 0.00 0.00 0.00 0.00 60.65 62.77 1d3b s ILE 17 Cb 0.02 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 1d3b s ILE 17 CO 0.20 0.17 -0.05 0.68 0.00 0.00 0.00 174.94 175.94 1d3b s VAL 18 N 1.19 1.51 -0.09 2.92 -7.23 -0.25 -4.26 120.40 114.19 1d3b s VAL 18 Ca 0.43 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1d3b s VAL 18 Cb -0.19 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 1d3b s VAL 18 CO 0.20 -0.31 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.58 1d3b s THR 19 N -3.10 2.30 -0.22 5.32 2.01 -0.75 -2.09 115.64 119.11 1d3b s THR 19 Ca 0.29 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1d3b s THR 19 Cb 0.04 -1.89 0.03 0.00 0.01 0.00 0.00 72.50 70.69 1d3b s THR 19 CO 0.11 0.56 -0.13 0.00 -0.69 0.00 0.00 174.62 174.47 1d3b s GLU 21 N 1.26 3.99 0.58 0.00 2.12 -0.09 -0.47 118.70 126.09 1d3b s GLU 21 Ca 0.00 -0.33 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 1d3b s GLU 21 Cb -0.16 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 30.95 1d3b s GLU 21 CO -0.08 0.19 0.85 0.95 -0.54 0.00 0.00 175.26 176.63 1d3b s THR 22 N 0.63 3.08 0.52 -1.70 -4.23 -0.18 -0.43 115.64 113.34 1d3b s THR 22 Ca 0.05 -0.35 0.37 0.00 -1.18 0.00 0.00 61.69 60.58 1d3b s THR 22 Cb -0.13 -3.21 0.39 0.00 1.34 0.00 0.00 72.50 70.89 1d3b s THR 22 CO 0.01 -0.19 2.23 0.78 -0.54 0.00 0.00 174.62 176.92 1d3b h ASN 23 N -0.11 0.00 -0.54 3.99 2.35 -0.94 -2.26 115.58 118.07 1d3b h ASN 23 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1d3b h ASN 23 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1d3b h ASN 23 CO 0.58 0.03 0.00 0.35 -1.65 0.00 0.00 177.43 176.73 1d3b n THR 24 N -3.34 1.87 -0.56 2.81 -2.24 -1.26 -4.97 114.28 106.59 1d3b n THR 24 Ca -0.02 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1d3b n THR 24 Cb 0.14 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1d3b n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d3b n GLY 25 N 0.75 0.77 3.82 3.38 0.00 -0.85 -4.81 105.19 108.25 1d3b n GLY 25 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1d3b n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d3b s GLU 26 N -0.44 4.12 -0.13 1.61 8.01 -1.26 -4.44 118.70 126.17 1d3b s GLU 26 Ca 0.00 1.09 0.00 0.00 0.01 0.00 0.00 54.97 56.07 1d3b s GLU 26 Cb 0.00 -2.16 0.02 0.00 -4.31 0.00 0.00 34.13 27.68 1d3b s GLU 26 CO 0.00 -0.13 -0.12 0.08 0.01 0.00 0.00 175.26 175.10 1d3b s VAL 27 N -2.29 1.37 -0.18 2.63 1.01 -0.33 -1.01 120.40 121.61 1d3b s VAL 27 Ca 0.62 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1d3b s VAL 27 Cb -0.10 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1d3b s VAL 27 CO 0.19 0.42 -0.08 -0.31 0.00 0.00 0.00 175.10 175.32 1d3b s TYR 28 N 1.47 2.90 -0.10 5.22 1.51 0.38 -1.14 117.35 127.60 1d3b s TYR 28 Ca 0.03 -0.80 0.02 0.00 -1.01 0.00 0.00 57.07 55.31 1d3b s TYR 28 Cb -0.13 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1d3b s TYR 28 CO -0.08 -0.38 -0.13 0.50 -1.11 0.00 0.00 175.55 174.34 1d3b s ARG 29 N 0.92 1.97 -0.02 -0.62 3.52 0.03 0.71 118.95 125.47 1d3b s ARG 29 Ca -0.02 -0.47 -0.21 0.00 -0.13 0.00 0.00 55.73 54.90 1d3b s ARG 29 Cb -0.15 -1.71 0.07 0.00 -1.56 0.00 0.00 34.95 31.60 1d3b s ARG 29 CO 0.00 -0.07 0.94 0.41 -0.81 0.00 0.00 175.30 175.78 1d3b n GLY 30 N 4.20 0.33 3.69 8.12 0.00 -0.89 -0.62 105.19 120.02 1d3b n GLY 30 Ca -0.19 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1d3b n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d3b s LYS 31 N -2.01 4.37 -0.17 1.61 2.20 -0.89 -1.09 119.74 123.76 1d3b s LYS 31 Ca 0.22 1.70 -0.29 0.00 -0.36 0.00 0.00 55.97 57.24 1d3b s LYS 31 Cb -0.01 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1d3b s LYS 31 CO -0.00 -0.40 1.22 -1.17 -0.36 0.00 0.00 175.35 174.63 1d3b s LEU 32 N 1.94 4.17 -0.18 5.43 2.96 0.13 -1.00 118.68 132.14 1d3b s LEU 32 Ca 0.57 1.64 -0.22 0.00 -0.22 0.00 0.00 54.13 55.91 1d3b s LEU 32 Cb -0.26 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.67 1d3b s LEU 32 CO 0.24 -0.74 0.38 0.40 -1.32 0.00 0.00 176.35 175.31 1d3b h ILE 33 N 5.46 1.09 -2.20 6.68 1.08 -1.04 0.12 117.51 128.71 1d3b h ILE 33 Ca -0.26 -2.25 -0.04 0.00 -0.39 0.00 0.00 64.86 61.92 1d3b h ILE 33 Cb 1.10 2.53 -0.22 0.00 -3.07 0.00 0.00 36.82 37.16 1d3b h ILE 33 CO 0.97 0.45 -0.02 -0.70 -0.69 0.00 0.00 178.15 178.15 1d3b s GLU 34 N -2.36 0.68 -0.18 2.37 2.12 -1.01 -4.52 118.70 115.81 1d3b s GLU 34 Ca -0.25 0.99 -0.05 0.00 0.36 0.00 0.00 54.97 56.02 1d3b s GLU 34 Cb 0.04 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.63 1d3b s GLU 34 CO 0.64 -0.12 -0.01 0.00 -0.54 0.00 0.00 175.26 175.23 1d3b s ALA 35 N 0.95 3.04 0.72 6.30 0.00 -1.26 -0.45 121.76 131.05 1d3b s ALA 35 Ca -0.05 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 1d3b s ALA 35 Cb -0.05 -1.69 0.08 0.00 0.00 0.00 0.00 23.12 21.47 1d3b s ALA 35 CO -0.08 0.02 1.02 -1.21 0.00 0.00 0.00 175.76 175.51 1d3b s GLU 36 N 0.70 1.97 0.62 0.00 2.02 -0.15 -4.92 118.70 118.95 1d3b s GLU 36 Ca -0.01 -0.46 0.39 0.00 0.02 0.00 0.00 54.97 54.90 1d3b s GLU 36 Cb -0.14 -2.19 2.08 0.00 0.10 0.00 0.00 34.13 33.98 1d3b s GLU 36 CO 0.02 -1.35 2.27 -0.44 0.02 0.00 0.00 175.26 175.78 1d3b h ASP 37 N -0.63 0.00 -0.34 -0.19 5.19 -2.00 0.11 116.42 118.56 1d3b h ASP 37 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1d3b h ASP 37 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1d3b h ASP 37 CO 0.54 0.01 0.00 -0.46 -3.12 0.00 0.00 179.24 176.21 1d3b n ASN 38 N -3.30 2.48 -0.03 6.45 0.23 -1.26 -4.91 115.26 114.92 1d3b n ASN 38 Ca -0.02 -1.89 -0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1d3b n ASN 38 Cb 0.12 -0.22 -0.00 0.00 -2.08 0.00 0.00 39.78 37.60 1d3b n ASN 38 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1d3b n MET 39 N 0.85 -0.07 -2.15 -3.83 2.81 0.38 -4.24 117.12 110.87 1d3b n MET 39 Ca 0.17 0.27 -0.42 0.00 -1.81 0.00 0.00 57.70 55.91 1d3b n MET 39 Cb 0.43 -3.57 -0.03 0.00 -0.71 0.00 0.00 33.22 29.34 1d3b n MET 39 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1d3b s ASN 40 N -2.49 6.80 -0.11 7.83 -0.87 -1.26 -3.35 114.94 121.49 1d3b s ASN 40 Ca 0.00 2.30 0.02 0.00 -1.57 0.00 0.00 52.86 53.61 1d3b s ASN 40 Cb 0.00 -2.58 -0.01 0.00 -0.02 0.00 0.00 41.25 38.64 1d3b s ASN 40 CO 0.00 -0.70 -0.17 0.00 -2.57 0.00 0.00 177.10 173.66 1d3b s GLN 42 N 0.24 4.04 0.15 0.00 2.00 0.40 -0.72 119.66 125.78 1d3b s GLN 42 Ca -0.11 0.05 0.07 0.00 -2.00 0.00 0.00 55.36 53.37 1d3b s GLN 42 Cb -0.16 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 29.97 1d3b s GLN 42 CO 0.06 -0.23 -0.16 -1.64 -0.50 0.00 0.00 175.29 172.82 1d3b s MET 43 N 1.94 1.18 0.06 1.67 -1.94 -0.30 -0.40 119.30 121.51 1d3b s MET 43 Ca 0.15 -1.37 0.01 0.00 -1.71 0.00 0.00 55.69 52.76 1d3b s MET 43 Cb -0.16 -1.10 -0.03 0.00 2.01 0.00 0.00 34.83 35.55 1d3b s MET 43 CO 0.09 0.21 -0.05 -1.54 -0.01 0.00 0.00 175.02 173.73 1d3b s SER 44 N -2.71 0.71 -1.17 3.03 1.04 -0.17 -1.32 113.70 113.11 1d3b s SER 44 Ca 0.14 -0.84 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 1d3b s SER 44 Cb -0.04 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 1d3b s SER 44 CO 0.05 -0.44 0.79 0.59 0.98 0.00 0.00 173.24 175.21 1d3b n ASN 45 N 0.54 -4.28 -4.96 7.02 3.02 0.11 -2.10 115.26 114.61 1d3b n ASN 45 Ca -0.17 -0.88 -0.23 0.00 -0.03 0.00 0.00 54.58 53.28 1d3b n ASN 45 Cb 0.59 -4.03 -0.01 0.00 -0.61 0.00 0.00 39.78 35.72 1d3b n ASN 45 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1d3b s ILE 46 N -3.52 4.76 -0.15 2.41 -5.25 0.15 -4.47 121.20 115.13 1d3b s ILE 46 Ca 0.32 -0.63 0.01 0.00 -0.99 0.00 0.00 60.65 59.36 1d3b s ILE 46 Cb -0.09 -3.72 0.00 0.00 2.95 0.00 0.00 42.46 41.61 1d3b s ILE 46 CO 0.82 -0.42 -0.19 -0.89 -1.79 0.00 0.00 174.94 172.47 1d3b s THR 47 N -2.29 2.34 -0.01 8.37 2.01 0.21 -1.69 115.64 124.57 1d3b s THR 47 Ca 0.41 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.61 1d3b s THR 47 Cb -0.10 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1d3b s THR 47 CO 0.35 0.53 -0.26 0.54 -0.69 0.00 0.00 174.62 175.09 1d3b s VAL 48 N 0.80 2.04 -0.26 3.82 0.11 1.00 -0.79 120.40 127.13 1d3b s VAL 48 Ca -0.07 -1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 57.85 1d3b s VAL 48 Cb -0.15 -1.70 0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1d3b s VAL 48 CO -0.01 0.56 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.37 1d3b s THR 49 N -0.62 2.71 0.89 5.04 2.01 -0.29 -0.22 115.64 125.15 1d3b s THR 49 Ca 0.10 -1.24 -0.13 0.00 0.31 0.00 0.00 61.69 60.74 1d3b s THR 49 Cb -0.10 -2.45 0.12 0.00 0.01 0.00 0.00 72.50 70.08 1d3b s THR 49 CO -0.01 0.09 1.16 -0.31 -0.69 0.00 0.00 174.62 174.87 1d3b s TYR 50 N 1.26 2.56 0.40 4.92 1.51 0.11 -1.19 117.35 126.93 1d3b s TYR 50 Ca -0.03 0.78 0.12 0.00 -1.01 0.00 0.00 57.07 56.93 1d3b s TYR 50 Cb -0.18 -3.47 0.94 0.00 -0.11 0.00 0.00 41.96 39.14 1d3b s TYR 50 CO -0.04 -2.21 1.92 0.00 -1.11 0.00 0.00 175.55 174.11 1d3b h ARG 51 N -1.38 0.52 -0.20 -0.62 3.08 -1.87 -1.09 114.38 112.82 1d3b h ARG 51 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1d3b h ARG 51 Cb 1.32 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1d3b h ARG 51 CO 0.61 0.35 0.00 -0.40 -1.07 0.00 0.00 179.97 179.46 1d3b n ASP 52 N -4.50 1.65 0.00 7.04 5.75 -1.26 -4.92 116.55 120.32 1d3b n ASP 52 Ca 0.14 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1d3b n ASP 52 Cb 0.44 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1d3b n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1d3b n GLY 53 N 1.10 0.62 3.77 6.12 0.00 -0.41 -5.04 105.19 111.35 1d3b n GLY 53 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1d3b n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1d3b s ARG 54 N -0.79 4.11 -0.06 1.61 3.52 -1.26 -4.67 118.95 121.40 1d3b s ARG 54 Ca 0.00 2.27 0.04 0.00 -0.13 0.00 0.00 55.73 57.91 1d3b s ARG 54 Cb 0.00 -2.90 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1d3b s ARG 54 CO 0.00 -0.42 -0.17 0.08 -0.81 0.00 0.00 175.30 173.98 1d3b s VAL 55 N -1.19 2.77 0.26 7.11 1.01 -1.26 0.09 120.40 129.19 1d3b s VAL 55 Ca 0.54 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 1d3b s VAL 55 Cb -0.41 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1d3b s VAL 55 CO 0.53 0.57 0.35 0.00 0.00 0.00 0.00 175.10 176.56 1d3b s ALA 56 N -0.39 0.58 0.03 5.51 0.00 0.69 -4.97 121.76 123.22 1d3b s ALA 56 Ca 0.04 -1.37 0.08 0.00 0.00 0.00 0.00 51.96 50.71 1d3b s ALA 56 Cb -0.12 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.19 1d3b s ALA 56 CO 0.02 -0.74 -0.24 -0.65 0.00 0.00 0.00 175.76 174.14 1d3b s GLN 57 N -3.80 1.72 0.01 0.00 -0.21 -1.26 -0.00 119.66 116.12 1d3b s GLN 57 Ca 0.31 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.69 1d3b s GLN 57 Cb 0.02 -1.82 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 1d3b s GLN 57 CO 0.14 0.48 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.22 1d3b s LEU 58 N -1.07 2.11 0.16 2.90 1.43 -0.68 -4.97 118.68 118.56 1d3b s LEU 58 Ca 0.10 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1d3b s LEU 58 Cb -0.09 -0.16 0.03 0.00 0.03 0.00 0.00 46.19 46.00 1d3b s LEU 58 CO 0.01 -0.07 1.47 -0.33 0.23 0.00 0.00 176.35 177.66 1d3b h GLU 59 N 5.40 0.71 -3.10 1.70 5.08 -1.95 0.45 114.58 122.87 1d3b h GLU 59 Ca -0.30 -0.44 -0.15 0.00 -1.00 0.00 0.00 59.36 57.47 1d3b h GLU 59 Cb 1.20 0.05 -0.24 0.00 0.50 0.00 0.00 28.75 30.26 1d3b h GLU 59 CO 0.46 1.06 -0.38 -1.14 -1.00 0.00 0.00 179.01 178.01 1d3b s GLN 60 N -4.09 0.39 0.04 2.33 0.74 -1.26 0.04 119.66 117.85 1d3b s GLN 60 Ca -0.09 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.55 1d3b s GLN 60 Cb 0.11 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.37 1d3b s GLN 60 CO 0.86 -0.07 -0.05 0.14 -0.55 0.00 0.00 175.29 175.63 1d3b s VAL 61 N -0.22 0.32 -0.26 1.34 -7.23 -0.44 -5.00 120.40 108.92 1d3b s VAL 61 Ca -0.03 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1d3b s VAL 61 Cb -0.03 -0.87 0.07 0.00 0.56 0.00 0.00 36.38 36.11 1d3b s VAL 61 CO 0.01 -0.65 -0.04 -0.47 -0.31 0.00 0.00 175.10 173.64 1d3b s TYR 62 N -2.38 2.64 -0.29 2.82 5.04 -1.26 -1.15 117.35 122.78 1d3b s TYR 62 Ca -0.05 -1.99 -0.06 0.00 -2.44 0.00 0.00 57.07 52.53 1d3b s TYR 62 Cb -0.03 -1.80 0.01 0.00 0.35 0.00 0.00 41.96 40.48 1d3b s TYR 62 CO -0.04 -0.82 0.07 0.42 -1.34 0.00 0.00 175.55 173.84 1d3b s ILE 63 N 1.31 3.90 0.36 3.14 -1.09 0.10 -4.95 121.20 123.97 1d3b s ILE 63 Ca -0.03 -0.67 -0.27 0.00 -2.23 0.00 0.00 60.65 57.45 1d3b s ILE 63 Cb -0.19 -2.99 -0.09 0.00 -1.58 0.00 0.00 42.46 37.61 1d3b s ILE 63 CO -0.08 0.12 1.23 -0.13 -1.23 0.00 0.00 174.94 174.85 1d3b s ARG 64 N 1.50 4.24 0.30 2.79 0.52 -1.26 -0.19 118.95 126.84 1d3b s ARG 64 Ca 0.03 2.01 0.01 0.00 -0.52 0.00 0.00 55.73 57.26 1d3b s ARG 64 Cb -0.17 -2.91 0.55 0.00 0.52 0.00 0.00 34.95 32.94 1d3b s ARG 64 CO 0.02 -0.22 1.89 0.78 0.02 0.00 0.00 175.30 177.79 1d3b h GLY 65 N 3.09 1.41 1.64 -3.53 0.00 -1.73 -0.57 103.07 103.38 1d3b h GLY 65 Ca -0.49 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1d3b h GLY 65 CO 0.64 0.26 0.00 0.00 0.00 0.00 0.00 176.54 177.44 1d3b n LYS 67 N -1.32 0.20 -3.38 0.00 4.76 -0.22 -4.95 118.16 113.24 1d3b n LYS 67 Ca 0.04 -0.17 -0.38 0.00 -2.87 0.00 0.00 58.31 54.93 1d3b n LYS 67 Cb 0.08 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.71 1d3b n LYS 67 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1d3b s ILE 68 N -2.91 5.11 -0.19 -0.18 1.01 -0.71 -0.32 121.20 123.00 1d3b s ILE 68 Ca 0.10 0.91 -0.23 0.00 0.00 0.00 0.00 60.65 61.43 1d3b s ILE 68 Cb 0.16 -3.78 -0.20 0.00 0.01 0.00 0.00 42.46 38.65 1d3b s ILE 68 CO 0.82 0.42 0.31 -0.09 0.00 0.00 0.00 174.94 176.40 1d3b h ARG 69 N 5.96 0.00 -3.16 2.79 2.43 -0.95 -3.42 114.38 118.02 1d3b h ARG 69 Ca -0.45 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1d3b h ARG 69 Cb 1.19 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.63 1d3b h ARG 69 CO 0.71 0.98 0.10 -0.59 -1.51 0.00 0.00 179.97 179.65 1d3b s PHE 70 N -2.33 -0.35 0.03 2.20 -0.12 -1.06 -5.03 117.98 111.33 1d3b s PHE 70 Ca -0.27 0.07 0.09 0.00 -0.05 0.00 0.00 56.93 56.77 1d3b s PHE 70 Cb 0.04 0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1d3b s PHE 70 CO 0.60 -0.84 -0.25 -0.51 -0.05 0.00 0.00 175.22 174.17 1d3b s LEU 71 N -2.80 2.15 -0.25 -1.99 1.43 -1.26 -0.91 118.68 115.05 1d3b s LEU 71 Ca 0.04 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 1d3b s LEU 71 Cb -0.00 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1d3b s LEU 71 CO -0.10 0.25 0.06 -0.63 0.23 0.00 0.00 176.35 176.16 1d3b s ILE 72 N -0.76 4.18 0.19 -0.59 1.01 0.11 -4.94 121.20 120.39 1d3b s ILE 72 Ca 0.11 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.54 1d3b s ILE 72 Cb -0.10 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1d3b s ILE 72 CO 0.01 0.32 0.25 -0.76 0.00 0.00 0.00 174.94 174.76 1d3b s LEU 73 N 1.59 4.11 0.27 2.97 1.43 -1.26 -1.81 118.68 125.98 1d3b s LEU 73 Ca 0.06 0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 1d3b s LEU 73 Cb -0.15 -2.68 -0.13 0.00 0.03 0.00 0.00 46.19 43.26 1d3b s LEU 73 CO 0.03 0.02 1.33 -2.65 0.23 0.00 0.00 176.35 175.30 1d3b n PRO 74 N -0.77 1.96 0.00 1.29 -0.02 -1.26 -5.03 135.00 131.17 1d3b n PRO 74 Ca -0.08 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1d3b n PRO 74 Cb 0.55 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1d3b n PRO 74 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23