#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b h PRO 6 N 0.00 -0.21 -0.56 1.45 0.11 -2.06 -0.29 132.00 130.45 1d3b h PRO 6 Ca 0.00 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.21 1d3b h PRO 6 Cb 0.00 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 1d3b h PRO 6 CO 0.00 -0.14 0.37 0.97 -0.21 0.00 0.00 178.00 178.99 1d3b h ILE 7 N -0.22 0.92 -0.57 4.15 6.09 -1.98 -0.07 117.51 125.83 1d3b h ILE 7 Ca 0.18 -0.14 -0.05 0.00 -1.37 0.00 0.00 64.86 63.48 1d3b h ILE 7 Cb 0.56 0.48 -0.02 0.00 0.47 0.00 0.00 36.82 38.31 1d3b h ILE 7 CO -0.71 0.07 0.15 0.50 -3.07 0.00 0.00 178.15 175.10 1d3b h LYS 8 N 0.40 0.90 -0.53 2.19 3.64 -1.52 0.65 116.57 122.30 1d3b h LYS 8 Ca 0.25 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1d3b h LYS 8 Cb 0.47 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1d3b h LYS 8 CO -0.07 0.83 0.15 0.28 -2.27 0.00 0.00 179.45 178.37 1d3b h VAL 9 N 0.81 1.24 -0.57 2.00 2.07 -0.30 -2.18 116.25 119.31 1d3b h VAL 9 Ca 0.18 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1d3b h VAL 9 Cb 0.32 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1d3b h VAL 9 CO -0.00 0.31 0.13 0.25 0.02 0.00 0.00 177.57 178.28 1d3b h LEU 10 N 0.74 0.84 -1.18 2.57 5.85 -0.87 -2.56 115.31 120.70 1d3b h LEU 10 Ca 0.17 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1d3b h LEU 10 Cb 0.31 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1d3b h LEU 10 CO -0.00 0.82 0.32 0.45 -0.34 0.00 0.00 178.44 179.69 1d3b h HIS 11 N 0.85 0.87 0.00 1.25 3.86 -0.46 -1.34 115.15 120.18 1d3b h HIS 11 Ca 0.18 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1d3b h HIS 11 Cb 0.32 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1d3b h HIS 11 CO 0.02 0.63 0.00 0.93 0.86 0.00 0.00 177.93 180.37 1d3b h GLU 12 N 0.89 0.00 -0.00 2.45 5.08 -0.99 -2.47 114.58 119.54 1d3b h GLU 12 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1d3b h GLU 12 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1d3b h GLU 12 CO -0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 179.01 177.77 1d3b n ALA 13 N -1.99 2.89 -1.64 3.43 0.00 -0.51 -4.87 120.51 117.82 1d3b n ALA 13 Ca 0.01 -0.24 -0.47 0.00 0.00 0.00 0.00 53.44 52.74 1d3b n ALA 13 Cb 0.26 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.30 1.79 -0.54 0.00 1.02 -0.93 -0.62 120.64 120.05 1d3b n GLU 14 Ca 0.09 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1d3b n GLU 14 Cb 0.32 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 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 2.41 0.78 3.62 0.62 0.00 0.19 -5.00 105.19 107.82 1d3b n GLY 15 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.09 2.54 0.06 1.61 3.76 0.21 -4.83 115.29 115.54 1d3b s HIS 16 Ca 0.00 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.16 1d3b s HIS 16 Cb 0.00 -1.48 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 1d3b s HIS 16 CO 0.00 0.48 1.13 0.42 -0.85 0.00 0.00 174.74 175.93 1d3b s ILE 17 N -2.53 4.23 0.18 0.60 -1.09 -1.26 -0.14 121.20 121.19 1d3b s ILE 17 Ca 0.35 1.63 0.04 0.00 -2.23 0.00 0.00 60.65 60.44 1d3b s ILE 17 Cb 0.00 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 1d3b s ILE 17 CO 0.19 0.14 -0.06 0.68 -1.23 0.00 0.00 174.94 174.67 1d3b s VAL 18 N 0.90 1.08 -0.06 2.92 -7.23 0.73 -4.48 120.40 114.26 1d3b s VAL 18 Ca 0.56 -2.04 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1d3b s VAL 18 Cb -0.27 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 1d3b s VAL 18 CO 0.29 -0.58 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.41 1d3b s THR 19 N -3.39 2.49 -0.20 5.32 2.01 -0.31 -1.83 115.64 119.73 1d3b s THR 19 Ca 0.21 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1d3b s THR 19 Cb 0.04 -1.94 0.05 0.00 0.01 0.00 0.00 72.50 70.65 1d3b s THR 19 CO 0.04 0.57 -0.07 0.00 -0.69 0.00 0.00 174.62 174.47 1d3b s GLU 21 N 1.48 3.87 0.67 0.00 2.12 -0.10 -0.53 118.70 126.21 1d3b s GLU 21 Ca -0.02 -0.36 -0.09 0.00 0.36 0.00 0.00 54.97 54.86 1d3b s GLU 21 Cb -0.17 -3.55 0.02 0.00 0.26 0.00 0.00 34.13 30.70 1d3b s GLU 21 CO -0.08 -0.16 1.02 0.95 -0.54 0.00 0.00 175.26 176.46 1d3b s THR 22 N 1.64 3.45 0.52 -1.70 -4.23 -0.36 -0.29 115.64 114.67 1d3b s THR 22 Ca 0.07 0.26 0.35 0.00 -1.18 0.00 0.00 61.69 61.18 1d3b s THR 22 Cb -0.15 -3.43 0.37 0.00 1.34 0.00 0.00 72.50 70.63 1d3b s THR 22 CO 0.08 -0.52 2.22 0.78 -0.54 0.00 0.00 174.62 176.64 1d3b h ASN 23 N -0.49 0.00 -0.48 3.99 2.35 -1.07 -2.33 115.58 117.55 1d3b h ASN 23 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1d3b h ASN 23 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1d3b h ASN 23 CO 0.63 0.03 0.00 0.35 -1.65 0.00 0.00 177.43 176.79 1d3b n THR 24 N -3.46 2.52 -0.71 2.81 -2.24 -1.26 -4.96 114.28 106.97 1d3b n THR 24 Ca -0.02 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.22 1d3b n THR 24 Cb 0.14 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.31 0.68 3.85 3.38 0.00 -0.87 -4.78 105.19 107.76 1d3b n GLY 25 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.29 3.91 -0.14 1.61 8.01 -1.26 -4.25 118.70 126.29 1d3b s GLU 26 Ca 0.00 0.74 0.00 0.00 0.01 0.00 0.00 54.97 55.72 1d3b s GLU 26 Cb 0.00 -2.28 0.02 0.00 -4.31 0.00 0.00 34.13 27.56 1d3b s GLU 26 CO 0.00 -0.10 -0.12 0.08 0.01 0.00 0.00 175.26 175.12 1d3b s VAL 27 N -2.40 1.43 -0.26 2.63 1.01 0.11 -1.22 120.40 121.70 1d3b s VAL 27 Ca 0.55 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1d3b s VAL 27 Cb -0.10 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1d3b s VAL 27 CO 0.28 0.43 0.00 -0.31 0.00 0.00 0.00 175.10 175.51 1d3b s TYR 28 N 1.55 3.07 -0.09 5.22 1.51 0.31 -0.50 117.35 128.42 1d3b s TYR 28 Ca 0.05 -1.11 0.03 0.00 -1.01 0.00 0.00 57.07 55.03 1d3b s TYR 28 Cb -0.13 -2.15 0.01 0.00 -0.11 0.00 0.00 41.96 39.57 1d3b s TYR 28 CO -0.10 -0.60 -0.20 0.50 -1.11 0.00 0.00 175.55 174.04 1d3b s ARG 29 N 1.45 2.55 0.00 -0.62 3.52 0.72 -0.13 118.95 126.43 1d3b s ARG 29 Ca 0.03 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1d3b s ARG 29 Cb -0.16 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 31.26 1d3b s ARG 29 CO -0.01 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 1d3b n GLY 30 N 3.65 -1.52 3.71 8.12 0.00 -0.76 -0.16 105.19 118.23 1d3b n GLY 30 Ca -0.20 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.31 4.34 -0.25 1.61 2.20 -0.88 -0.20 119.74 125.25 1d3b s LYS 31 Ca 0.00 1.95 -0.29 0.00 -0.36 0.00 0.00 55.97 57.27 1d3b s LYS 31 Cb 0.00 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1d3b s LYS 31 CO 0.00 -0.43 1.05 -1.17 -0.36 0.00 0.00 175.35 174.45 1d3b s LEU 32 N 1.47 4.06 -0.21 5.43 2.96 0.80 -0.21 118.68 132.98 1d3b s LEU 32 Ca 0.63 1.30 -0.19 0.00 -0.22 0.00 0.00 54.13 55.65 1d3b s LEU 32 Cb -0.33 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.63 1d3b s LEU 32 CO 0.29 -0.72 0.18 -0.38 -1.32 0.00 0.00 176.35 174.39 1d3b n ILE 33 N 5.46 1.56 -3.70 6.68 2.08 0.16 0.55 119.36 132.15 1d3b n ILE 33 Ca 0.12 -0.12 -0.12 0.00 0.56 0.00 0.00 62.75 63.18 1d3b n ILE 33 Cb 0.46 -1.99 -0.09 0.00 -0.75 0.00 0.00 39.64 37.27 1d3b n ILE 33 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1d3b s GLU 34 N -2.40 0.55 -0.16 0.38 2.12 -1.05 -4.54 118.70 113.61 1d3b s GLU 34 Ca -0.29 0.74 0.01 0.00 0.36 0.00 0.00 54.97 55.78 1d3b s GLU 34 Cb 0.07 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.68 1d3b s GLU 34 CO 0.60 -0.09 -0.17 0.00 -0.54 0.00 0.00 175.26 175.07 1d3b s ALA 35 N 0.54 2.44 0.89 6.30 0.00 -1.26 -0.62 121.76 130.06 1d3b s ALA 35 Ca -0.02 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 1d3b s ALA 35 Cb -0.04 -1.20 0.15 0.00 0.00 0.00 0.00 23.12 22.02 1d3b s ALA 35 CO -0.03 -0.11 1.26 -1.21 0.00 0.00 0.00 175.76 175.67 1d3b s GLU 36 N 0.94 1.23 0.48 0.00 2.02 0.26 -4.92 118.70 118.71 1d3b s GLU 36 Ca -0.03 -0.20 0.32 0.00 0.02 0.00 0.00 54.97 55.08 1d3b s GLU 36 Cb -0.15 -1.90 1.39 0.00 0.10 0.00 0.00 34.13 33.57 1d3b s GLU 36 CO -0.03 -2.05 1.95 -0.44 0.02 0.00 0.00 175.26 174.72 1d3b h ASP 37 N -1.37 0.00 -0.20 -0.19 3.32 -2.00 -0.88 116.42 115.10 1d3b h ASP 37 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1d3b h ASP 37 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1d3b h ASP 37 CO 0.50 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.56 1d3b n ASN 38 N -2.84 2.15 -0.22 6.45 0.23 -1.26 -4.90 115.26 114.86 1d3b n ASN 38 Ca 0.00 -1.78 -0.03 0.00 -0.53 0.00 0.00 54.58 52.25 1d3b n ASN 38 Cb 0.25 -0.13 -0.01 0.00 -2.08 0.00 0.00 39.78 37.81 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 0.64 -0.19 -2.28 -3.83 2.81 -0.33 -4.13 117.12 109.81 1d3b n MET 39 Ca 0.17 0.51 -0.41 0.00 -1.81 0.00 0.00 57.70 56.16 1d3b n MET 39 Cb 0.41 -4.13 -0.03 0.00 -0.71 0.00 0.00 33.22 28.76 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 -2.96 6.99 -0.03 7.83 -0.87 -1.26 -3.20 114.94 121.44 1d3b s ASN 40 Ca 0.00 2.39 0.06 0.00 -1.57 0.00 0.00 52.86 53.74 1d3b s ASN 40 Cb 0.00 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.25 38.60 1d3b s ASN 40 CO 0.00 -0.42 -0.22 0.00 -2.57 0.00 0.00 177.10 173.89 1d3b s GLN 42 N -0.29 3.93 0.05 0.00 -1.52 0.21 -0.64 119.66 121.40 1d3b s GLN 42 Ca 0.02 -0.33 0.08 0.00 -1.95 0.00 0.00 55.36 53.18 1d3b s GLN 42 Cb -0.11 -3.61 -0.03 0.00 -0.22 0.00 0.00 33.01 29.04 1d3b s GLN 42 CO 0.01 -0.16 -0.22 -1.64 -0.25 0.00 0.00 175.29 173.03 1d3b s MET 43 N 1.69 1.42 0.21 2.91 -1.94 -0.44 0.39 119.30 123.53 1d3b s MET 43 Ca 0.07 -1.00 0.09 0.00 -1.71 0.00 0.00 55.69 53.14 1d3b s MET 43 Cb -0.16 -1.57 -0.05 0.00 2.01 0.00 0.00 34.83 35.07 1d3b s MET 43 CO 0.10 0.40 -0.17 -1.54 -0.01 0.00 0.00 175.02 173.79 1d3b s SER 44 N -1.29 2.85 -1.14 3.03 1.04 0.70 -1.35 113.70 117.54 1d3b s SER 44 Ca 0.08 -0.97 -0.27 0.00 0.48 0.00 0.00 55.95 55.27 1d3b s SER 44 Cb -0.09 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1d3b s SER 44 CO 0.02 -0.08 0.72 0.59 0.98 0.00 0.00 173.24 175.47 1d3b n ASN 45 N -0.22 -4.70 -4.98 7.02 5.03 0.18 -2.07 115.26 115.52 1d3b n ASN 45 Ca -0.09 -1.15 -0.20 0.00 0.87 0.00 0.00 54.58 54.01 1d3b n ASN 45 Cb 0.59 -2.32 -0.01 0.00 -1.02 0.00 0.00 39.78 37.03 1d3b n ASN 45 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1d3b s ILE 46 N -3.44 4.53 -0.14 2.41 -5.25 0.08 -4.51 121.20 114.87 1d3b s ILE 46 Ca 0.44 -0.92 0.01 0.00 -0.99 0.00 0.00 60.65 59.18 1d3b s ILE 46 Cb -0.21 -3.59 -0.00 0.00 2.95 0.00 0.00 42.46 41.60 1d3b s ILE 46 CO 0.92 -0.25 -0.16 -0.89 -1.79 0.00 0.00 174.94 172.77 1d3b s THR 47 N -2.15 2.69 -0.03 8.37 2.01 0.77 -1.53 115.64 125.77 1d3b s THR 47 Ca 0.41 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.71 1d3b s THR 47 Cb -0.09 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 1d3b s THR 47 CO 0.31 0.52 -0.25 0.54 -0.69 0.00 0.00 174.62 175.06 1d3b s VAL 48 N 0.65 2.15 -0.28 3.82 0.11 0.38 -0.20 120.40 127.04 1d3b s VAL 48 Ca -0.08 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 1d3b s VAL 48 Cb -0.16 -1.76 0.05 0.00 -1.53 0.00 0.00 36.38 32.98 1d3b s VAL 48 CO 0.02 0.58 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.43 1d3b s THR 49 N -0.49 2.66 0.91 5.04 2.01 0.35 -1.20 115.64 124.92 1d3b s THR 49 Ca 0.06 -1.45 -0.13 0.00 0.31 0.00 0.00 61.69 60.49 1d3b s THR 49 Cb -0.11 -2.52 0.14 0.00 0.01 0.00 0.00 72.50 70.02 1d3b s THR 49 CO 0.00 -0.05 1.16 -0.31 -0.69 0.00 0.00 174.62 174.74 1d3b s TYR 50 N 1.20 2.40 0.46 4.92 1.51 -0.29 -0.71 117.35 126.84 1d3b s TYR 50 Ca -0.06 0.77 0.15 0.00 -1.01 0.00 0.00 57.07 56.92 1d3b s TYR 50 Cb -0.20 -3.47 1.10 0.00 -0.11 0.00 0.00 41.96 39.29 1d3b s TYR 50 CO -0.03 -2.38 2.03 0.00 -1.11 0.00 0.00 175.55 174.06 1d3b h ARG 51 N -1.50 0.28 -0.19 -0.62 3.08 -1.87 -1.20 114.38 112.38 1d3b h ARG 51 Ca -0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1d3b h ARG 51 Cb 1.32 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1d3b h ARG 51 CO 0.59 0.19 0.00 -0.40 -1.07 0.00 0.00 179.97 179.28 1d3b n ASP 52 N -4.47 1.34 0.00 7.04 5.68 -1.26 -4.91 116.55 119.97 1d3b n ASP 52 Ca 0.06 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 1d3b n ASP 52 Cb 0.31 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1d3b n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d3b n GLY 53 N 1.00 1.35 3.77 6.12 0.00 -0.45 -5.04 105.19 111.93 1d3b n GLY 53 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.60 4.19 -0.07 1.61 3.52 -1.26 -4.70 118.95 121.64 1d3b s ARG 54 Ca 0.00 2.45 0.03 0.00 -0.13 0.00 0.00 55.73 58.08 1d3b s ARG 54 Cb 0.00 -3.02 -0.02 0.00 -1.56 0.00 0.00 34.95 30.35 1d3b s ARG 54 CO 0.00 -0.45 -0.14 0.08 -0.81 0.00 0.00 175.30 173.98 1d3b s VAL 55 N -0.83 3.05 0.14 7.11 1.01 -1.26 -1.14 120.40 128.48 1d3b s VAL 55 Ca 0.54 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1d3b s VAL 55 Cb -0.44 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1d3b s VAL 55 CO 0.56 0.57 0.18 0.00 0.00 0.00 0.00 175.10 176.42 1d3b s ALA 56 N -0.46 0.27 -0.05 5.51 0.00 -0.34 -4.99 121.76 121.69 1d3b s ALA 56 Ca 0.06 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1d3b s ALA 56 Cb -0.12 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1d3b s ALA 56 CO 0.02 -0.56 -0.20 -0.65 0.00 0.00 0.00 175.76 174.36 1d3b s GLN 57 N -3.97 2.51 -0.00 0.00 1.11 -1.26 -0.47 119.66 117.58 1d3b s GLN 57 Ca 0.17 -0.82 0.01 0.00 0.01 0.00 0.00 55.36 54.73 1d3b s GLN 57 Cb 0.05 -2.26 -0.00 0.00 -1.01 0.00 0.00 33.01 29.79 1d3b s GLN 57 CO -0.02 0.49 -0.03 -0.51 0.01 0.00 0.00 175.29 175.23 1d3b s LEU 58 N -0.42 1.96 0.14 2.90 1.43 -0.58 -4.99 118.68 119.12 1d3b s LEU 58 Ca 0.04 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 1d3b s LEU 58 Cb -0.12 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.91 1d3b s LEU 58 CO 0.02 0.04 1.69 -0.08 0.23 0.00 0.00 176.35 178.25 1d3b h GLU 59 N 6.12 0.61 -3.05 1.70 4.57 -1.95 0.26 114.58 122.85 1d3b h GLU 59 Ca -0.27 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 57.66 1d3b h GLU 59 Cb 1.19 -0.10 -0.23 0.00 -0.16 0.00 0.00 28.75 29.45 1d3b h GLU 59 CO 0.50 0.56 -0.35 -0.65 -1.18 0.00 0.00 179.01 177.90 1d3b s GLN 60 N -5.59 0.46 0.02 1.92 -0.21 -1.26 0.50 119.66 115.49 1d3b s GLN 60 Ca -0.13 0.18 -0.03 0.00 0.02 0.00 0.00 55.36 55.40 1d3b s GLN 60 Cb 0.10 0.21 -0.01 0.00 1.00 0.00 0.00 33.01 34.31 1d3b s GLN 60 CO 0.75 -0.09 0.05 0.14 -2.12 0.00 0.00 175.29 174.02 1d3b s VAL 61 N -0.38 0.12 -0.27 1.09 -7.23 -0.46 -5.00 120.40 108.27 1d3b s VAL 61 Ca -0.05 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 1d3b s VAL 61 Cb -0.03 -0.63 0.07 0.00 0.56 0.00 0.00 36.38 36.35 1d3b s VAL 61 CO 0.02 -0.56 -0.07 -0.47 -0.31 0.00 0.00 175.10 173.71 1d3b s TYR 62 N -2.06 3.27 -0.28 2.82 5.04 -1.26 -1.33 117.35 123.55 1d3b s TYR 62 Ca -0.10 -2.40 -0.07 0.00 -2.44 0.00 0.00 57.07 52.06 1d3b s TYR 62 Cb -0.05 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1d3b s TYR 62 CO -0.02 -0.88 0.07 0.42 -1.34 0.00 0.00 175.55 173.79 1d3b s ILE 63 N 1.09 3.99 0.31 3.14 -1.09 0.18 -4.94 121.20 123.89 1d3b s ILE 63 Ca -0.05 -0.59 -0.28 0.00 -2.23 0.00 0.00 60.65 57.50 1d3b s ILE 63 Cb -0.20 -3.01 -0.09 0.00 -1.58 0.00 0.00 42.46 37.58 1d3b s ILE 63 CO -0.06 0.15 1.10 -0.13 -1.23 0.00 0.00 174.94 174.76 1d3b s ARG 64 N 1.52 4.50 0.28 2.79 0.52 -1.26 0.20 118.95 127.49 1d3b s ARG 64 Ca 0.03 1.75 0.01 0.00 -0.52 0.00 0.00 55.73 57.01 1d3b s ARG 64 Cb -0.17 -3.02 0.64 0.00 0.52 0.00 0.00 34.95 32.92 1d3b s ARG 64 CO 0.02 0.10 1.70 0.78 0.02 0.00 0.00 175.30 177.92 1d3b h GLY 65 N 3.47 1.38 1.62 -3.53 0.00 -1.70 -0.11 103.07 104.19 1d3b h GLY 65 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1d3b h GLY 65 CO 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.96 1d3b n LYS 67 N -1.31 1.54 -3.68 0.00 4.76 -0.06 -4.95 118.16 114.45 1d3b n LYS 67 Ca 0.07 -1.01 -0.37 0.00 -2.87 0.00 0.00 58.31 54.13 1d3b n LYS 67 Cb 0.12 -1.36 -0.07 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.05 5.34 -0.18 -0.18 1.01 -0.62 -0.51 121.20 124.01 1d3b s ILE 68 Ca 0.16 0.43 -0.24 0.00 0.00 0.00 0.00 60.65 61.00 1d3b s ILE 68 Cb 0.15 -3.54 -0.22 0.00 0.01 0.00 0.00 42.46 38.87 1d3b s ILE 68 CO 0.44 0.51 0.41 -0.09 0.00 0.00 0.00 174.94 176.21 1d3b h ARG 69 N 5.71 0.00 -2.71 2.79 2.43 -0.86 -3.43 114.38 118.32 1d3b h ARG 69 Ca -0.48 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.72 1d3b h ARG 69 Cb 1.20 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.62 1d3b h ARG 69 CO 0.67 1.00 0.33 -0.59 -1.51 0.00 0.00 179.97 179.87 1d3b s PHE 70 N -2.32 -0.44 0.00 2.20 -0.12 -0.94 -5.02 117.98 111.35 1d3b s PHE 70 Ca -0.25 0.24 0.08 0.00 -0.05 0.00 0.00 56.93 56.95 1d3b s PHE 70 Cb 0.03 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1d3b s PHE 70 CO 0.63 -0.76 -0.26 -0.51 -0.05 0.00 0.00 175.22 174.28 1d3b s LEU 71 N -2.67 2.09 -0.28 -1.99 1.43 -1.26 -0.92 118.68 115.08 1d3b s LEU 71 Ca 0.03 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1d3b s LEU 71 Cb -0.01 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 1d3b s LEU 71 CO -0.10 0.29 0.11 -0.63 0.23 0.00 0.00 176.35 176.25 1d3b s ILE 72 N -0.67 4.44 0.33 -0.59 1.01 0.44 -4.95 121.20 121.22 1d3b s ILE 72 Ca 0.10 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.49 1d3b s ILE 72 Cb -0.10 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1d3b s ILE 72 CO 0.00 0.18 0.30 -0.76 0.00 0.00 0.00 174.94 174.66 1d3b s LEU 73 N 1.61 3.63 0.10 2.97 1.43 -1.26 -1.16 118.68 126.00 1d3b s LEU 73 Ca 0.05 -0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 52.37 1d3b s LEU 73 Cb -0.16 -2.25 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 1d3b s LEU 73 CO 0.05 -0.35 1.86 -2.84 0.23 0.00 0.00 176.35 175.30 1d3b s PRO 74 N -4.00 4.14 0.00 1.29 0.02 -1.26 -5.02 135.00 130.16 1d3b s PRO 74 Ca 0.41 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.02 1d3b s PRO 74 Cb -0.06 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.73 1d3b s PRO 74 CO 0.27 -0.87 0.00 -0.25 -0.33 0.00 0.00 177.00 175.82