#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5g s LYS 2 N 0.00 2.97 0.30 -0.52 -0.14 -1.26 -5.02 119.74 116.07 1d5g s LYS 2 Ca 0.00 -0.69 0.02 0.00 -1.36 0.00 0.00 55.97 53.94 1d5g s LYS 2 Cb 0.00 -2.76 0.49 0.00 -1.68 0.00 0.00 37.83 33.88 1d5g s LYS 2 CO 0.00 0.55 1.82 -1.35 -0.76 0.00 0.00 175.35 175.61 1d5g h PRO 3 N 3.07 0.61 -2.93 -1.68 0.11 -1.98 -3.21 132.00 125.99 1d5g h PRO 3 Ca -0.47 -0.15 -0.77 0.00 0.11 0.00 0.00 66.00 64.72 1d5g h PRO 3 Cb 1.17 -0.08 -0.30 0.00 0.11 0.00 0.00 31.00 31.90 1d5g h PRO 3 CO 0.67 0.66 0.49 0.41 -0.21 0.00 0.00 178.00 180.02 1d5g n GLY 4 N -0.73 4.93 3.80 -0.55 0.00 -1.26 -4.74 105.19 106.64 1d5g n GLY 4 Ca 0.02 -2.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.02 1d5g n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d5g s ASP 5 N -1.35 7.13 0.14 1.61 1.01 -1.22 -4.63 116.67 119.37 1d5g s ASP 5 Ca 0.32 1.69 -0.15 0.00 0.71 0.00 0.00 52.55 55.12 1d5g s ASP 5 Cb 0.03 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.37 1d5g s ASP 5 CO 0.05 -0.15 0.56 -0.63 0.21 0.00 0.00 175.17 175.21 1d5g s ILE 6 N -1.80 4.83 0.16 0.77 1.09 -1.26 -1.85 121.20 123.15 1d5g s ILE 6 Ca 0.53 0.88 -0.07 0.00 -1.10 0.00 0.00 60.65 60.89 1d5g s ILE 6 Cb -0.15 -3.75 -0.02 0.00 -1.06 0.00 0.00 42.46 37.48 1d5g s ILE 6 CO 0.20 0.27 0.23 0.72 -0.10 0.00 0.00 174.94 176.26 1d5g s PHE 7 N -1.44 0.53 -0.09 3.97 -0.71 -0.12 -4.99 117.98 115.13 1d5g s PHE 7 Ca 0.37 -0.89 0.02 0.00 -1.04 0.00 0.00 56.93 55.39 1d5g s PHE 7 Cb -0.15 -0.16 -0.02 0.00 -1.21 0.00 0.00 43.02 41.48 1d5g s PHE 7 CO 0.19 -0.68 -0.13 -1.83 -1.34 0.00 0.00 175.22 171.43 1d5g s GLU 8 N -3.99 2.96 -0.36 1.99 -1.05 -1.26 -0.94 118.70 116.04 1d5g s GLU 8 Ca 0.20 -0.68 -0.11 0.00 -0.15 0.00 0.00 54.97 54.22 1d5g s GLU 8 Cb 0.04 -2.52 0.01 0.00 -0.44 0.00 0.00 34.13 31.23 1d5g s GLU 8 CO 0.01 0.42 0.21 0.08 0.95 0.00 0.00 175.26 176.93 1d5g s VAL 9 N -0.19 4.74 -0.39 1.83 1.01 -0.26 -5.00 120.40 122.13 1d5g s VAL 9 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1d5g s VAL 9 Cb -0.13 -3.58 0.10 0.00 0.00 0.00 0.00 36.38 32.77 1d5g s VAL 9 CO 0.03 -0.16 0.18 -0.70 0.00 0.00 0.00 175.10 174.45 1d5g s GLU 10 N 1.60 2.17 0.34 2.72 -6.30 -1.26 -1.25 118.70 116.72 1d5g s GLU 10 Ca 0.03 -1.67 0.04 0.00 -2.50 0.00 0.00 54.97 50.87 1d5g s GLU 10 Cb -0.18 -3.56 -0.03 0.00 0.00 0.00 0.00 34.13 30.36 1d5g s GLU 10 CO 0.07 -0.98 0.18 -1.17 0.02 0.00 0.00 175.26 173.38 1d5g s LEU 11 N 1.21 1.80 0.11 2.70 2.96 0.21 -5.02 118.68 122.65 1d5g s LEU 11 Ca 0.05 -1.64 0.03 0.00 -0.22 0.00 0.00 54.13 52.35 1d5g s LEU 11 Cb -0.22 0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 1d5g s LEU 11 CO -0.03 -0.94 -0.08 0.00 -1.32 0.00 0.00 176.35 173.98 1d5g s ALA 12 N -3.44 1.13 0.60 5.97 0.00 -1.26 -0.73 121.76 124.03 1d5g s ALA 12 Ca 0.33 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1d5g s ALA 12 Cb 0.04 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1d5g s ALA 12 CO 0.19 -0.15 1.11 -1.59 0.00 0.00 0.00 175.76 175.32 1d5g s LYS 13 N -3.52 3.13 0.00 0.00 -2.85 0.04 -4.83 119.74 111.71 1d5g s LYS 13 Ca 0.11 1.46 0.00 0.00 -1.00 0.00 0.00 55.97 56.55 1d5g s LYS 13 Cb 0.02 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.80 1d5g s LYS 13 CO -0.02 -1.00 0.00 0.27 0.10 0.00 0.00 175.35 174.70 1d5g n ASN 14 N -1.84 0.00 -0.04 0.03 0.23 -1.26 -4.94 115.26 107.45 1d5g n ASN 14 Ca 0.11 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.04 1d5g n ASN 14 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 1d5g n ASN 14 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1d5g h ASP 15 N 0.00 -0.03 -5.37 0.53 5.19 -1.98 -3.48 116.42 111.29 1d5g h ASP 15 Ca 0.00 -0.72 -0.45 0.00 -0.62 0.00 0.00 57.03 55.23 1d5g h ASP 15 Cb 0.00 0.01 -0.13 0.00 0.18 0.00 0.00 39.33 39.38 1d5g h ASP 15 CO 0.00 0.77 -0.51 0.21 -3.12 0.00 0.00 179.24 176.59 1d5g s ASN 16 N -5.96 1.65 -0.12 6.45 2.47 -1.26 -5.04 114.94 113.14 1d5g s ASN 16 Ca -0.16 -1.69 -0.05 0.00 0.42 0.00 0.00 52.86 51.38 1d5g s ASN 16 Cb -0.01 0.52 -0.04 0.00 -1.45 0.00 0.00 41.25 40.27 1d5g s ASN 16 CO 0.60 -1.00 0.04 0.28 -3.72 0.00 0.00 177.10 173.29 1d5g h SER 17 N 2.15 0.00 0.00 -4.21 0.02 -1.92 -3.39 113.55 106.19 1d5g h SER 17 Ca -0.28 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1d5g h SER 17 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1d5g h SER 17 CO 0.42 0.63 0.00 0.18 -1.14 0.00 0.00 176.83 176.93 1d5g n LEU 18 N -4.72 0.00 0.00 5.07 4.77 -1.26 -4.52 117.00 116.34 1d5g n LEU 18 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1d5g n LEU 18 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1d5g n LEU 18 CO 0.06 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1d5g n GLY 19 N 3.29 0.69 3.19 -0.72 0.00 -1.26 -1.27 105.19 109.11 1d5g n GLY 19 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1d5g n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1d5g s ILE 20 N -0.66 0.36 -0.04 -0.61 2.07 -1.26 -1.15 121.20 119.91 1d5g s ILE 20 Ca 0.00 -1.94 0.06 0.00 -1.41 0.00 0.00 60.65 57.36 1d5g s ILE 20 Cb 0.00 -2.09 -0.01 0.00 0.13 0.00 0.00 42.46 40.49 1d5g s ILE 20 CO 0.00 -0.46 -0.21 -0.55 -1.91 0.00 0.00 174.94 171.80 1d5g s SER 21 N -3.11 2.62 0.03 4.50 0.15 0.36 -4.80 113.70 113.45 1d5g s SER 21 Ca 0.24 -0.42 0.08 0.00 0.70 0.00 0.00 55.95 56.54 1d5g s SER 21 Cb 0.07 -0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 63.75 1d5g s SER 21 CO 0.03 0.22 -0.22 -0.69 1.20 0.00 0.00 173.24 173.78 1d5g s VAL 22 N -0.19 1.75 -0.02 4.45 1.01 -1.26 -0.87 120.40 125.27 1d5g s VAL 22 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1d5g s VAL 22 Cb -0.11 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1d5g s VAL 22 CO 0.02 0.27 0.01 0.28 0.00 0.00 0.00 175.10 175.68 1d5g s THR 23 N -0.75 0.07 0.00 3.92 -1.32 -0.38 -4.74 115.64 112.43 1d5g s THR 23 Ca 0.08 0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1d5g s THR 23 Cb -0.09 -0.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.73 1d5g s THR 23 CO 0.01 0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 1d5g n GLY 24 N 4.02 -1.79 0.00 6.08 0.00 -1.26 -2.53 105.19 109.71 1d5g n GLY 24 Ca -0.26 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1d5g n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d5g n GLY 25 N 0.00 0.90 0.00 -0.02 0.00 -0.99 -4.77 105.19 100.31 1d5g n GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d5g n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1d5g n VAL 26 N 0.00 0.00 -0.07 1.61 0.31 -1.26 -1.22 118.33 117.69 1d5g n VAL 26 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1d5g n VAL 26 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1d5g n VAL 26 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1d5g n ASN 27 N 0.00 1.82 -4.01 4.52 0.23 -1.26 -4.31 115.26 112.26 1d5g n ASN 27 Ca 0.00 0.60 -0.19 0.00 -0.53 0.00 0.00 54.58 54.46 1d5g n ASN 27 Cb 0.00 -0.86 -0.15 0.00 -2.08 0.00 0.00 39.78 36.69 1d5g n ASN 27 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1d5g s THR 28 N -2.32 0.69 0.00 5.53 -1.32 -1.26 -2.22 115.64 114.74 1d5g s THR 28 Ca -0.17 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 1d5g s THR 28 Cb 0.02 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 1d5g s THR 28 CO 0.25 0.20 0.00 -1.20 -2.21 0.00 0.00 174.62 171.66 1d5g n SER 29 N 2.98 0.00 -0.10 8.08 7.64 -1.21 -4.72 113.62 126.28 1d5g n SER 29 Ca -0.15 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.53 1d5g n SER 29 Cb 0.56 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.67 1d5g n SER 29 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1d5g n VAL 30 N -1.05 1.52 -0.43 0.44 3.14 -0.95 -4.98 118.33 116.01 1d5g n VAL 30 Ca 0.00 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1d5g n VAL 30 Cb 0.00 -2.08 0.00 0.00 -1.06 0.00 0.00 33.84 30.70 1d5g n VAL 30 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1d5g n ARG 31 N -4.43 3.22 -1.18 1.45 5.12 -1.26 -4.96 116.66 114.61 1d5g n ARG 31 Ca -0.32 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.25 1d5g n ARG 31 Cb 0.65 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.92 1d5g n ARG 31 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1d5g n HIS 32 N 0.00 2.18 0.00 -1.55 1.44 -1.26 -4.44 115.22 111.59 1d5g n HIS 32 Ca 0.00 -2.35 0.00 0.00 -2.01 0.00 0.00 57.72 53.36 1d5g n HIS 32 Cb 0.00 -2.03 0.00 0.00 0.12 0.00 0.00 29.99 28.08 1d5g n HIS 32 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1d5g n GLY 33 N 4.03 0.85 0.00 -1.39 0.00 -0.94 -4.70 105.19 103.04 1d5g n GLY 33 Ca 0.54 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1d5g n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d5g n GLY 34 N 0.00 -1.54 3.18 -0.02 0.00 -1.26 -2.23 105.19 103.32 1d5g n GLY 34 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 1d5g n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d5g s ILE 35 N -3.01 1.83 0.09 -0.61 -1.09 -1.26 -2.34 121.20 114.80 1d5g s ILE 35 Ca 0.00 -0.89 0.08 0.00 -2.23 0.00 0.00 60.65 57.60 1d5g s ILE 35 Cb 0.00 -1.59 -0.03 0.00 -1.58 0.00 0.00 42.46 39.26 1d5g s ILE 35 CO 0.00 0.51 -0.20 -0.47 -1.23 0.00 0.00 174.94 173.55 1d5g s TYR 36 N 0.35 1.68 -0.12 3.97 5.04 -1.05 -3.57 117.35 123.65 1d5g s TYR 36 Ca -0.16 -0.42 -0.29 0.00 -2.44 0.00 0.00 57.07 53.76 1d5g s TYR 36 Cb -0.17 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.20 1d5g s TYR 36 CO 0.07 0.16 1.02 0.08 -1.34 0.00 0.00 175.55 175.55 1d5g s VAL 37 N -1.13 4.73 -0.07 3.14 1.01 -0.82 -1.25 120.40 126.02 1d5g s VAL 37 Ca 0.05 2.01 -0.00 0.00 0.00 0.00 0.00 61.98 64.04 1d5g s VAL 37 Cb -0.10 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1d5g s VAL 37 CO 0.04 -0.02 -0.01 0.50 0.00 0.00 0.00 175.10 175.61 1d5g h LYS 38 N 7.17 0.00 -3.03 2.72 3.64 -1.29 -2.11 116.57 123.66 1d5g h LYS 38 Ca -0.30 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1d5g h LYS 38 Cb 1.14 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.85 1d5g h LYS 38 CO 0.87 0.00 0.19 0.00 -2.27 0.00 0.00 179.45 178.24 1d5g s ALA 39 N -2.70 -1.49 -0.04 5.00 0.00 -1.10 -4.33 121.76 117.10 1d5g s ALA 39 Ca -0.01 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.14 1d5g s ALA 39 Cb 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 1d5g s ALA 39 CO 0.01 -0.80 0.41 0.54 0.00 0.00 0.00 175.76 175.92 1d5g s VAL 40 N -3.78 5.08 -0.17 0.00 0.11 -1.26 -0.49 120.40 119.89 1d5g s VAL 40 Ca 0.03 0.83 -0.24 0.00 -2.93 0.00 0.00 61.98 59.67 1d5g s VAL 40 Cb -0.01 -3.72 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 1d5g s VAL 40 CO -0.10 0.51 0.79 -0.63 -3.33 0.00 0.00 175.10 172.34 1d5g s ILE 41 N -0.61 4.91 -0.02 7.04 -1.09 -0.30 -4.91 121.20 126.23 1d5g s ILE 41 Ca 0.23 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 60.19 1d5g s ILE 41 Cb -0.16 -4.09 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1d5g s ILE 41 CO 0.12 0.05 1.25 -0.81 -1.23 0.00 0.00 174.94 174.31 1d5g n PRO 42 N 5.19 1.04 -3.11 2.79 -0.04 -1.26 -3.99 135.00 135.61 1d5g n PRO 42 Ca 0.03 -0.10 -0.17 0.00 -0.04 0.00 0.00 63.50 63.22 1d5g n PRO 42 Cb 0.49 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.90 1d5g n PRO 42 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1d5g n GLN 43 N 0.67 0.93 -3.66 0.54 0.00 -1.26 -4.91 117.38 109.69 1d5g n GLN 43 Ca 0.02 -3.09 0.01 0.00 -0.00 0.00 0.00 57.00 53.94 1d5g n GLN 43 Cb 0.53 -1.53 -0.00 0.00 0.00 0.00 0.00 30.24 29.24 1d5g n GLN 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1d5g s GLY 44 N -2.06 -0.36 0.35 1.69 0.00 -1.26 -4.88 107.32 100.80 1d5g s GLY 44 Ca 0.36 0.55 0.13 0.00 0.00 0.00 0.00 44.72 45.76 1d5g s GLY 44 CO -0.09 0.34 1.75 0.00 0.00 0.00 0.00 173.10 175.10 1d5g h ALA 45 N 2.00 1.95 -0.53 3.20 0.00 -1.64 -1.19 119.26 123.05 1d5g h ALA 45 Ca -0.29 0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1d5g h ALA 45 Cb 1.21 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1d5g h ALA 45 CO 0.28 -0.40 0.09 0.00 0.00 0.00 0.00 179.25 179.22 1d5g h ALA 46 N 1.69 0.59 0.08 0.00 0.00 -1.42 -0.77 119.26 119.43 1d5g h ALA 46 Ca 0.63 0.12 -0.31 0.00 0.00 0.00 0.00 54.91 55.34 1d5g h ALA 46 Cb 1.32 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1d5g h ALA 46 CO -0.41 -0.32 -1.68 1.49 0.00 0.00 0.00 179.25 178.34 1d5g h GLU 47 N 0.22 0.17 0.05 0.00 4.22 -1.58 -1.79 114.58 115.87 1d5g h GLU 47 Ca 0.27 -0.29 0.03 0.00 0.08 0.00 0.00 59.36 59.45 1d5g h GLU 47 Cb 0.38 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1d5g h GLU 47 CO -0.36 0.95 -0.28 0.77 -2.18 0.00 0.00 179.01 177.90 1d5g h SER 48 N 0.05 -0.82 0.00 1.04 0.02 -1.18 -3.28 113.55 109.37 1d5g h SER 48 Ca -0.29 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1d5g h SER 48 Cb 2.01 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 64.87 1d5g h SER 48 CO 0.12 -0.36 -0.03 -0.78 -1.14 0.00 0.00 176.83 174.64 1d5g h ASP 49 N -0.46 0.00 0.00 3.07 1.82 -1.30 -3.51 116.42 116.05 1d5g h ASP 49 Ca 0.05 -0.61 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 1d5g h ASP 49 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1d5g h ASP 49 CO -0.21 0.82 0.00 0.61 -1.61 0.00 0.00 179.24 178.85 1d5g n GLY 50 N 1.67 0.74 0.70 -0.78 0.00 -0.68 -5.09 105.19 101.75 1d5g n GLY 50 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1d5g n GLY 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d5g n ARG 51 N 0.95 0.00 -4.50 1.61 3.00 -1.17 -5.04 116.66 111.51 1d5g n ARG 51 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 1d5g n ARG 51 Cb 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 32.46 32.04 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1d5g s ILE 52 N -1.35 0.87 0.18 5.15 1.09 -1.26 -5.10 121.20 120.78 1d5g s ILE 52 Ca 0.00 -2.00 0.04 0.00 -1.10 0.00 0.00 60.65 57.59 1d5g s ILE 52 Cb 0.00 -2.53 -0.05 0.00 -1.06 0.00 0.00 42.46 38.82 1d5g s ILE 52 CO 0.00 0.00 -0.06 -1.00 -0.10 0.00 0.00 174.94 173.78 1d5g s HIS 53 N -3.25 1.37 0.30 3.97 3.76 -1.26 -5.06 115.29 115.12 1d5g s HIS 53 Ca 0.28 -0.83 -0.30 0.00 -0.15 0.00 0.00 55.06 54.07 1d5g s HIS 53 Cb 0.05 -0.74 -0.12 0.00 1.11 0.00 0.00 32.58 32.88 1d5g s HIS 53 CO 0.14 0.02 1.44 0.36 -0.85 0.00 0.00 174.74 175.86 1d5g n LYS 54 N -0.28 2.33 -1.22 1.40 2.85 -1.26 -3.21 118.16 118.77 1d5g n LYS 54 Ca -0.08 0.82 -0.05 0.00 -1.05 0.00 0.00 58.31 57.95 1d5g n LYS 54 Cb 0.62 -2.51 -0.02 0.00 -0.65 0.00 0.00 35.03 32.47 1d5g n LYS 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1d5g n GLY 55 N 1.63 0.72 3.93 2.58 0.00 -0.79 -4.92 105.19 108.34 1d5g n GLY 55 Ca 0.08 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1d5g n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d5g s ASP 56 N -2.93 4.33 -0.06 1.61 1.01 -1.20 -3.53 116.67 115.89 1d5g s ASP 56 Ca 0.00 0.42 0.04 0.00 0.71 0.00 0.00 52.55 53.72 1d5g s ASP 56 Cb 0.00 -0.88 -0.00 0.00 1.01 0.00 0.00 42.92 43.05 1d5g s ASP 56 CO 0.00 -1.95 -0.18 0.00 0.21 0.00 0.00 175.17 173.25 1d5g s ARG 57 N -5.46 2.12 0.60 8.23 1.70 -1.02 -1.95 118.95 123.16 1d5g s ARG 57 Ca 0.64 -0.66 -0.12 0.00 -0.47 0.00 0.00 55.73 55.12 1d5g s ARG 57 Cb -0.09 -1.75 -0.05 0.00 -0.57 0.00 0.00 34.95 32.50 1d5g s ARG 57 CO 0.48 0.20 1.02 0.14 -1.08 0.00 0.00 175.30 176.06 1d5g s VAL 58 N 0.20 4.64 0.00 4.99 -7.23 -1.23 -0.32 120.40 121.45 1d5g s VAL 58 Ca -0.09 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 1d5g s VAL 58 Cb -0.14 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 32.99 1d5g s VAL 58 CO 0.04 -1.03 0.00 -0.11 -0.31 0.00 0.00 175.10 173.69 1d5g n LEU 59 N -2.50 0.00 -4.89 1.32 0.00 0.61 -4.75 117.00 106.80 1d5g n LEU 59 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.77 1d5g n LEU 59 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.91 1d5g n LEU 59 CO 0.55 0.00 -0.17 0.00 0.00 0.00 0.00 177.39 177.77 1d5g s ALA 60 N -2.00 3.90 -0.39 1.96 0.00 -1.11 -4.14 121.76 119.98 1d5g s ALA 60 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1d5g s ALA 60 Cb 0.00 -1.73 0.09 0.00 0.00 0.00 0.00 23.12 21.48 1d5g s ALA 60 CO 0.00 0.78 0.17 0.54 0.00 0.00 0.00 175.76 177.25 1d5g s VAL 61 N -1.51 3.45 -1.46 0.00 0.11 0.62 -1.39 120.40 120.22 1d5g s VAL 61 Ca 0.34 -1.75 -0.10 0.00 -2.93 0.00 0.00 61.98 57.53 1d5g s VAL 61 Cb -0.13 -3.22 0.04 0.00 -1.53 0.00 0.00 36.38 31.55 1d5g s VAL 61 CO 0.27 -0.52 0.95 -0.46 -3.33 0.00 0.00 175.10 172.00 1d5g n ASN 62 N 4.68 -5.55 0.00 3.54 0.23 -0.44 -2.22 115.26 115.51 1d5g n ASN 62 Ca -0.06 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.42 1d5g n ASN 62 Cb 0.42 -4.42 0.00 0.00 -2.08 0.00 0.00 39.78 33.70 1d5g n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1d5g n GLY 63 N -1.74 2.99 3.77 4.83 0.00 -1.26 -5.06 105.19 108.73 1d5g n GLY 63 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1d5g n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5g s VAL 64 N -2.78 5.29 0.66 1.61 1.01 -0.94 -4.96 120.40 120.29 1d5g s VAL 64 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1d5g s VAL 64 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1d5g s VAL 64 CO 0.00 0.53 1.05 -0.94 0.00 0.00 0.00 175.10 175.73 1d5g s SER 65 N -0.28 5.77 0.05 3.32 1.04 -1.26 -0.28 113.70 122.07 1d5g s SER 65 Ca 0.10 1.54 0.23 0.00 0.48 0.00 0.00 55.95 58.30 1d5g s SER 65 Cb -0.12 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.57 1d5g s SER 65 CO 0.01 -1.18 1.03 0.00 0.98 0.00 0.00 173.24 174.08 1d5g n LEU 66 N -2.92 0.61 -4.66 2.42 -0.00 -1.26 -4.87 117.00 106.32 1d5g n LEU 66 Ca 0.07 -0.00 -0.47 0.00 -0.00 0.00 0.00 56.01 55.61 1d5g n LEU 66 Cb 0.54 -0.10 -0.04 0.00 -0.00 0.00 0.00 43.42 43.82 1d5g n LEU 66 CO 0.56 0.03 1.16 -0.62 -0.00 0.00 0.00 177.39 178.53 1d5g n GLU 67 N -1.99 2.00 0.00 1.47 1.02 -1.26 -2.48 120.64 119.39 1d5g n GLU 67 Ca 0.02 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1d5g n GLU 67 Cb 0.44 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1d5g n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d5g n GLY 68 N 3.32 1.10 3.78 0.62 0.00 -1.26 -5.10 105.19 107.65 1d5g n GLY 68 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1d5g n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5g s ALA 69 N -1.42 3.19 0.77 4.61 0.00 -1.03 -5.10 121.76 122.77 1d5g s ALA 69 Ca 0.00 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 1d5g s ALA 69 Cb 0.00 -3.24 0.15 0.00 0.00 0.00 0.00 23.12 20.03 1d5g s ALA 69 CO 0.00 -0.04 1.01 0.25 0.00 0.00 0.00 175.76 176.99 1d5g n THR 70 N 0.39 0.00 -0.18 0.00 -2.24 -1.26 -4.65 114.28 106.33 1d5g n THR 70 Ca 0.03 -1.44 -0.07 0.00 -2.27 0.00 0.00 64.05 60.30 1d5g n THR 70 Cb 0.49 -1.00 0.02 0.00 -2.10 0.00 0.00 70.33 67.75 1d5g n THR 70 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1d5g h HIS 71 N -0.76 0.68 -0.50 4.78 2.76 -1.44 -2.43 115.15 118.24 1d5g h HIS 71 Ca -0.33 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 57.87 1d5g h HIS 71 Cb 1.18 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.88 1d5g h HIS 71 CO 0.00 0.45 0.33 -0.22 -1.30 0.00 0.00 177.93 177.19 1d5g h LYS 72 N 0.72 0.58 -0.19 5.26 1.63 -1.96 -1.45 116.57 121.16 1d5g h LYS 72 Ca 0.19 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.83 1d5g h LYS 72 Cb -0.05 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1d5g h LYS 72 CO -0.04 0.39 -0.37 0.37 -3.45 0.00 0.00 179.45 176.34 1d5g h GLN 73 N 0.60 0.59 -0.52 1.90 -0.00 -1.84 -3.00 115.11 112.84 1d5g h GLN 73 Ca 0.20 -0.38 -0.03 0.00 -0.00 0.00 0.00 58.65 58.44 1d5g h GLN 73 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 1d5g h GLN 73 CO -0.05 0.99 0.20 0.00 0.00 0.00 0.00 178.83 179.98 1d5g h ALA 74 N 0.60 0.68 -0.45 3.38 0.00 -1.17 -2.82 119.26 119.48 1d5g h ALA 74 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1d5g h ALA 74 Cb 0.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1d5g h ALA 74 CO 0.08 0.30 -0.13 -0.39 0.00 0.00 0.00 179.25 179.12 1d5g h VAL 75 N 0.71 1.27 0.00 0.00 -1.51 -1.30 -2.92 116.25 112.51 1d5g h VAL 75 Ca 0.17 -1.25 -0.07 0.00 -1.23 0.00 0.00 66.70 64.32 1d5g h VAL 75 Cb 0.21 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1d5g h VAL 75 CO -0.01 0.43 -0.35 -0.33 -1.23 0.00 0.00 177.57 176.07 1d5g h GLU 76 N 0.71 0.00 -0.06 5.19 4.39 -1.56 -2.18 114.58 121.08 1d5g h GLU 76 Ca 0.11 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.83 1d5g h GLU 76 Cb 0.67 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1d5g h GLU 76 CO 0.05 0.35 -0.07 1.15 -1.16 0.00 0.00 179.01 179.33 1d5g h THR 77 N 0.00 0.81 0.10 1.13 2.02 -1.30 -1.80 112.91 113.87 1d5g h THR 77 Ca -0.00 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.91 1d5g h THR 77 Cb 0.68 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1d5g h THR 77 CO 0.05 0.00 -1.23 0.25 0.37 0.00 0.00 175.52 174.96 1d5g h LEU 78 N -0.09 0.33 -1.69 2.58 6.46 -1.51 -3.29 115.31 118.10 1d5g h LEU 78 Ca 0.05 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.43 1d5g h LEU 78 Cb 0.16 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 1d5g h LEU 78 CO -0.11 1.29 0.06 0.03 -0.62 0.00 0.00 178.44 179.09 1d5g h ARG 79 N 0.06 0.26 -2.15 1.25 3.08 -1.32 -2.38 114.38 113.18 1d5g h ARG 79 Ca -0.12 -0.03 -0.42 0.00 0.07 0.00 0.00 59.98 59.48 1d5g h ARG 79 Cb 1.94 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 31.82 1d5g h ARG 79 CO 0.18 0.23 0.61 0.09 -1.07 0.00 0.00 179.97 180.02 1d5g n ASN 80 N -4.44 6.37 0.00 7.04 4.13 -0.68 -4.19 115.26 123.49 1d5g n ASN 80 Ca -0.00 -2.87 0.00 0.00 1.68 0.00 0.00 54.58 53.39 1d5g n ASN 80 Cb 0.13 -1.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.02 1d5g n ASN 80 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1d5g n THR 81 N 1.81 0.00 0.00 3.41 -2.24 -0.90 -5.00 114.28 111.36 1d5g n THR 81 Ca 0.51 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.42 1d5g n THR 81 Cb 0.63 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1d5g n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d5g n GLY 82 N 2.89 1.77 0.07 3.38 0.00 -1.26 -4.65 105.19 107.40 1d5g n GLY 82 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 1d5g n GLY 82 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1d5g h GLN 83 N 0.00 0.00 -5.78 1.61 4.15 -1.98 -3.44 115.11 109.67 1d5g h GLN 83 Ca 0.00 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.75 1d5g h GLN 83 Cb 0.00 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 27.55 1d5g h GLN 83 CO 0.00 0.87 -0.59 0.08 -1.93 0.00 0.00 178.83 177.26 1d5g s VAL 84 N -2.18 4.57 -0.51 2.39 1.01 -1.26 -0.78 120.40 123.64 1d5g s VAL 84 Ca -0.19 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1d5g s VAL 84 Cb -0.01 -2.96 0.13 0.00 0.00 0.00 0.00 36.38 33.54 1d5g s VAL 84 CO 0.59 0.58 0.26 -0.69 0.00 0.00 0.00 175.10 175.84 1d5g s VAL 85 N -0.66 2.47 -0.17 2.92 1.01 0.09 -4.91 120.40 121.15 1d5g s VAL 85 Ca 0.11 -3.25 0.01 0.00 0.00 0.00 0.00 61.98 58.85 1d5g s VAL 85 Cb -0.12 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1d5g s VAL 85 CO 0.02 -0.81 -0.20 -2.28 0.00 0.00 0.00 175.10 171.84 1d5g s HIS 86 N -0.23 2.77 0.19 5.22 5.04 -1.26 -0.62 115.29 126.40 1d5g s HIS 86 Ca 0.17 -1.58 -0.12 0.00 -1.54 0.00 0.00 55.06 51.99 1d5g s HIS 86 Cb -0.26 -1.91 0.00 0.00 0.04 0.00 0.00 32.58 30.45 1d5g s HIS 86 CO 0.00 -0.77 0.37 -0.48 -2.34 0.00 0.00 174.74 171.52 1d5g s LEU 87 N 1.22 0.63 -0.03 8.88 2.34 -0.38 -1.33 118.68 130.01 1d5g s LEU 87 Ca 0.03 -0.78 0.07 0.00 0.06 0.00 0.00 54.13 53.50 1d5g s LEU 87 Cb -0.13 1.52 -0.01 0.00 -0.56 0.00 0.00 46.19 47.00 1d5g s LEU 87 CO -0.11 -0.97 -0.23 -0.76 -1.06 0.00 0.00 176.35 173.21 1d5g s LEU 88 N -2.95 2.04 0.09 1.48 1.43 -0.48 -1.11 118.68 119.17 1d5g s LEU 88 Ca 0.16 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1d5g s LEU 88 Cb 0.02 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1d5g s LEU 88 CO 0.01 0.26 -0.07 -0.76 0.23 0.00 0.00 176.35 176.02 1d5g s LEU 89 N -0.35 2.47 0.10 1.79 1.02 -0.11 -0.28 118.68 123.31 1d5g s LEU 89 Ca 0.03 -0.92 0.10 0.00 0.02 0.00 0.00 54.13 53.36 1d5g s LEU 89 Cb -0.11 -0.09 -0.04 0.00 0.02 0.00 0.00 46.19 45.97 1d5g s LEU 89 CO 0.01 -0.42 -0.26 -0.70 0.02 0.00 0.00 176.35 175.00 1d5g s GLU 90 N -3.43 1.56 0.05 1.70 2.12 0.57 -0.94 118.70 120.32 1d5g s GLU 90 Ca 0.08 -1.26 -0.31 0.00 0.36 0.00 0.00 54.97 53.84 1d5g s GLU 90 Cb 0.02 -1.95 -0.06 0.00 0.26 0.00 0.00 34.13 32.41 1d5g s GLU 90 CO -0.04 0.47 1.37 0.21 -0.54 0.00 0.00 175.26 176.73 1d5g s LYS 91 N -1.82 4.32 0.00 4.30 2.20 -0.77 -2.44 119.74 125.52 1d5g s LYS 91 Ca 0.14 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 1d5g s LYS 91 Cb -0.10 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1d5g s LYS 91 CO 0.05 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1d5g n GLY 92 N 3.53 -0.11 3.79 5.54 0.00 -1.26 -4.10 105.19 112.58 1d5g n GLY 92 Ca 0.12 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 1d5g n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d5g s GLN 93 N 0.05 4.33 -0.09 1.61 -0.21 -1.23 -4.79 119.66 119.32 1d5g s GLN 93 Ca 0.00 0.86 -0.04 0.00 0.02 0.00 0.00 55.36 56.20 1d5g s GLN 93 Cb 0.00 -3.27 -0.01 0.00 1.00 0.00 0.00 33.01 30.73 1d5g s GLN 93 CO 0.00 0.56 -0.08 1.03 -2.12 0.00 0.00 175.29 174.68 1d5g h SER 94 N 4.74 0.00 -0.59 5.90 0.87 -1.92 -3.42 113.55 119.12 1d5g h SER 94 Ca -0.48 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 59.72 1d5g h SER 94 Cb 1.21 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.04 1d5g h SER 94 CO 0.65 0.49 0.04 -0.81 -0.53 0.00 0.00 176.83 176.68 1d5g n PRO 95 N -4.05 2.22 0.00 2.24 -0.04 -1.26 -5.11 135.00 129.00 1d5g n PRO 95 Ca -0.03 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1d5g n PRO 95 Cb 0.12 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1d5g n PRO 95 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09