#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 4.11 0.20 0.54 -2.85 -1.26 -4.99 119.74 115.48 1d5g s LYS 2 Ca 0.00 0.75 0.03 0.00 -1.00 0.00 0.00 55.97 55.74 1d5g s LYS 2 Cb 0.00 -2.63 0.11 0.00 -2.06 0.00 0.00 37.83 33.25 1d5g s LYS 2 CO 0.00 0.27 1.46 -1.00 0.10 0.00 0.00 175.35 176.18 1d5g h PRO 3 N 2.78 0.24 -2.60 1.78 0.13 -1.98 -3.25 132.00 129.10 1d5g h PRO 3 Ca -0.48 -0.21 -0.77 0.00 -0.87 0.00 0.00 66.00 63.67 1d5g h PRO 3 Cb 1.18 0.05 -0.19 0.00 0.13 0.00 0.00 31.00 32.17 1d5g h PRO 3 CO 0.65 0.88 1.80 0.41 -0.23 0.00 0.00 178.00 181.50 1d5g n GLY 4 N 0.57 5.49 3.96 1.56 0.00 -1.26 -4.91 105.19 110.59 1d5g n GLY 4 Ca -0.03 -2.28 -0.28 0.00 0.00 0.00 0.00 46.02 43.43 1d5g n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d5g s ASP 5 N -0.33 3.35 0.01 1.61 -1.08 -1.23 -4.31 116.67 114.70 1d5g s ASP 5 Ca 0.46 -0.01 -0.24 0.00 -0.52 0.00 0.00 52.55 52.25 1d5g s ASP 5 Cb 0.17 -0.08 -0.05 0.00 -1.46 0.00 0.00 42.92 41.50 1d5g s ASP 5 CO -0.08 -2.56 0.72 -0.63 0.52 0.00 0.00 175.17 173.14 1d5g s ILE 6 N -3.69 4.84 0.06 4.11 1.09 -1.26 -0.73 121.20 125.61 1d5g s ILE 6 Ca 0.73 1.52 0.00 0.00 -1.10 0.00 0.00 60.65 61.80 1d5g s ILE 6 Cb -0.03 -4.06 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 1d5g s ILE 6 CO 0.51 0.35 -0.04 0.72 -0.10 0.00 0.00 174.94 176.37 1d5g s PHE 7 N 0.13 0.60 -0.19 3.97 -0.71 -0.72 -4.97 117.98 116.09 1d5g s PHE 7 Ca 0.37 -0.89 0.00 0.00 -1.04 0.00 0.00 56.93 55.37 1d5g s PHE 7 Cb -0.19 -0.40 0.04 0.00 -1.21 0.00 0.00 43.02 41.27 1d5g s PHE 7 CO 0.21 -0.26 -0.07 -1.83 -1.34 0.00 0.00 175.22 171.93 1d5g s GLU 8 N -3.30 1.67 -0.08 1.99 -1.05 -1.26 -1.15 118.70 115.52 1d5g s GLU 8 Ca 0.03 -0.70 -0.04 0.00 -0.15 0.00 0.00 54.97 54.11 1d5g s GLU 8 Cb 0.03 -2.24 -0.04 0.00 -0.44 0.00 0.00 34.13 31.44 1d5g s GLU 8 CO -0.06 -0.46 0.09 0.08 0.95 0.00 0.00 175.26 175.86 1d5g s VAL 9 N 1.52 5.00 -0.17 1.83 1.01 -0.86 -5.02 120.40 123.70 1d5g s VAL 9 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1d5g s VAL 9 Cb -0.16 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1d5g s VAL 9 CO -0.08 0.53 -0.17 -1.61 0.00 0.00 0.00 175.10 173.78 1d5g s GLU 10 N -1.21 3.11 0.15 2.72 2.02 -1.26 -2.37 118.70 121.86 1d5g s GLU 10 Ca 0.17 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.41 1d5g s GLU 10 Cb -0.12 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 1d5g s GLU 10 CO 0.07 -0.12 -0.04 -1.17 0.02 0.00 0.00 175.26 174.01 1d5g s LEU 11 N 1.13 2.32 -0.05 1.80 2.96 0.24 -5.01 118.68 122.08 1d5g s LEU 11 Ca 0.01 -1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 52.66 1d5g s LEU 11 Cb -0.14 -0.15 0.03 0.00 0.50 0.00 0.00 46.19 46.43 1d5g s LEU 11 CO -0.07 -0.48 0.35 0.00 -1.32 0.00 0.00 176.35 174.84 1d5g s ALA 12 N -3.54 -0.90 0.00 5.97 0.00 -1.26 0.08 121.76 122.11 1d5g s ALA 12 Ca 0.20 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 1d5g s ALA 12 Cb 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 1d5g s ALA 12 CO 0.01 -0.25 1.77 -1.59 0.00 0.00 0.00 175.76 175.70 1d5g s LYS 13 N -0.98 4.17 0.00 0.00 -2.85 -0.11 -4.93 119.74 115.05 1d5g s LYS 13 Ca -0.10 2.37 0.00 0.00 -1.00 0.00 0.00 55.97 57.24 1d5g s LYS 13 Cb -0.04 -3.98 0.00 0.00 -2.06 0.00 0.00 37.83 31.75 1d5g s LYS 13 CO 0.04 -0.87 0.00 0.27 0.10 0.00 0.00 175.35 174.89 1d5g n ASN 14 N 7.02 0.00 -0.03 0.03 0.23 -1.26 -4.82 115.26 116.43 1d5g n ASN 14 Ca 0.18 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 54.08 1d5g n ASN 14 Cb 0.42 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.01 1d5g n ASN 14 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1d5g h ASP 15 N 0.00 0.30 0.00 0.53 3.58 -1.97 -3.49 116.42 115.38 1d5g h ASP 15 Ca 0.00 -0.71 0.00 0.00 0.42 0.00 0.00 57.03 56.74 1d5g h ASP 15 Cb 0.00 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1d5g h ASP 15 CO 0.00 0.97 0.00 -3.20 -2.88 0.00 0.00 179.24 174.13 1d5g n ASN 16 N -4.47 0.00 0.00 2.28 2.85 -1.26 -5.02 115.26 109.64 1d5g n ASN 16 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1d5g n ASN 16 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 1d5g n ASN 16 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1d5g n SER 17 N 0.00 0.00 0.00 1.20 3.41 -1.26 -4.51 113.62 112.46 1d5g n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1d5g n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1d5g n SER 17 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1d5g n LEU 18 N -0.54 0.00 -0.14 1.04 4.77 -1.26 -4.47 117.00 116.41 1d5g n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1d5g n LEU 18 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1d5g n LEU 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1d5g n GLY 19 N 3.91 0.54 3.12 -0.72 0.00 -1.26 -1.08 105.19 109.70 1d5g n GLY 19 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.36 0.19 0.02 -0.61 2.07 -1.26 -0.72 121.20 119.52 1d5g s ILE 20 Ca 0.00 -1.75 0.08 0.00 -1.41 0.00 0.00 60.65 57.57 1d5g s ILE 20 Cb 0.00 -1.60 -0.02 0.00 0.13 0.00 0.00 42.46 40.97 1d5g s ILE 20 CO 0.00 -0.85 -0.23 -0.55 -1.91 0.00 0.00 174.94 171.40 1d5g s SER 21 N -2.94 2.74 0.14 4.50 0.15 -0.05 -4.77 113.70 113.48 1d5g s SER 21 Ca 0.10 -0.49 0.09 0.00 0.70 0.00 0.00 55.95 56.35 1d5g s SER 21 Cb 0.07 -0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 1d5g s SER 21 CO -0.08 0.24 -0.21 -0.69 1.20 0.00 0.00 173.24 173.70 1d5g s VAL 22 N -0.68 1.92 -0.06 4.45 1.01 -1.26 -1.18 120.40 124.60 1d5g s VAL 22 Ca 0.09 -1.79 -0.01 0.00 0.00 0.00 0.00 61.98 60.27 1d5g s VAL 22 Cb -0.09 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1d5g s VAL 22 CO 0.01 -0.15 0.01 0.28 0.00 0.00 0.00 175.10 175.25 1d5g s THR 23 N -1.57 0.28 0.00 3.92 -1.32 -0.56 -4.75 115.64 111.64 1d5g s THR 23 Ca 0.13 0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1d5g s THR 23 Cb -0.08 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1d5g s THR 23 CO 0.06 0.24 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 1d5g n GLY 24 N 5.15 0.48 0.88 6.08 0.00 -1.26 -3.96 105.19 112.55 1d5g n GLY 24 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 1.00 0.00 -0.02 0.00 -1.26 -4.71 105.19 100.20 1d5g n GLY 25 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1d5g n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d5g n VAL 26 N -1.60 0.00 0.02 1.61 0.24 -1.26 -2.92 118.33 114.42 1d5g n VAL 26 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1d5g n VAL 26 Cb 0.28 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.55 1d5g n VAL 26 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1d5g h ASN 27 N 0.00 -0.09 -5.03 -1.34 7.08 -1.96 -3.31 115.58 110.92 1d5g h ASN 27 Ca 0.00 -0.47 -0.09 0.00 -3.08 0.00 0.00 56.30 52.66 1d5g h ASN 27 Cb 0.00 0.02 -0.18 0.00 -2.08 0.00 0.00 38.32 36.09 1d5g h ASN 27 CO 0.00 0.46 -0.18 0.28 -2.08 0.00 0.00 177.43 175.91 1d5g s THR 28 N -3.78 0.06 0.04 6.14 -1.32 -1.26 -4.77 115.64 110.76 1d5g s THR 28 Ca -0.15 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 1d5g s THR 28 Cb 0.01 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1d5g s THR 28 CO 0.60 -0.29 0.00 -0.24 -2.21 0.00 0.00 174.62 172.48 1d5g n SER 29 N 0.74 -0.29 -0.06 8.08 2.88 -1.26 -4.86 113.62 118.85 1d5g n SER 29 Ca -0.19 0.07 -0.05 0.00 -1.33 0.00 0.00 58.87 57.37 1d5g n SER 29 Cb 0.59 0.60 -0.02 0.00 -0.75 0.00 0.00 64.21 64.63 1d5g n SER 29 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1d5g n VAL 30 N -2.59 1.23 0.00 2.46 0.31 -0.64 -4.92 118.33 114.17 1d5g n VAL 30 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1d5g n VAL 30 Cb 0.00 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 30.67 1d5g n VAL 30 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1d5g n ARG 31 N -4.26 0.00 -2.76 5.55 0.63 -1.26 -4.89 116.66 109.66 1d5g n ARG 31 Ca -0.07 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1d5g n ARG 31 Cb 0.27 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.23 1d5g n ARG 31 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1d5g n HIS 32 N -2.35 0.93 0.00 -0.14 1.44 -1.26 -5.04 115.22 108.81 1d5g n HIS 32 Ca 0.00 -2.03 0.00 0.00 -2.01 0.00 0.00 57.72 53.68 1d5g n HIS 32 Cb 0.00 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.03 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 -0.63 0.15 0.00 -1.39 0.00 -1.26 -4.59 105.19 97.47 1d5g n GLY 33 Ca 0.05 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 0.94 3.22 -0.02 0.00 -1.26 -1.62 105.19 106.44 1d5g n GLY 34 Ca 0.00 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.94 1.49 -0.02 -0.61 -1.09 -1.26 -4.26 121.20 112.52 1d5g s ILE 35 Ca 0.00 -1.14 0.05 0.00 -2.23 0.00 0.00 60.65 57.33 1d5g s ILE 35 Cb 0.00 -1.31 -0.01 0.00 -1.58 0.00 0.00 42.46 39.56 1d5g s ILE 35 CO 0.00 0.14 -0.18 -0.47 -1.23 0.00 0.00 174.94 173.20 1d5g s TYR 36 N -0.82 1.66 -0.10 3.97 5.04 -1.25 -3.71 117.35 122.13 1d5g s TYR 36 Ca 0.06 -0.36 -0.24 0.00 -2.44 0.00 0.00 57.07 54.08 1d5g s TYR 36 Cb -0.08 -1.08 -0.03 0.00 0.35 0.00 0.00 41.96 41.11 1d5g s TYR 36 CO 0.02 -0.07 0.75 0.08 -1.34 0.00 0.00 175.55 174.99 1d5g s VAL 37 N -0.30 4.99 -0.07 3.14 1.01 -1.16 -1.50 120.40 126.51 1d5g s VAL 37 Ca 0.04 1.51 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 1d5g s VAL 37 Cb -0.08 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1d5g s VAL 37 CO 0.00 0.17 -0.04 0.50 0.00 0.00 0.00 175.10 175.74 1d5g h LYS 38 N 6.98 0.00 -1.98 2.72 3.64 -1.44 -2.39 116.57 124.09 1d5g h LYS 38 Ca -0.37 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.26 1d5g h LYS 38 Cb 1.18 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.91 1d5g h LYS 38 CO 0.78 0.00 0.66 0.00 -2.27 0.00 0.00 179.45 178.62 1d5g s ALA 39 N -2.76 -1.94 0.09 5.00 0.00 -1.15 -4.58 121.76 116.43 1d5g s ALA 39 Ca -0.03 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 1d5g s ALA 39 Cb 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 23.12 23.61 1d5g s ALA 39 CO 0.05 -1.06 0.65 0.54 0.00 0.00 0.00 175.76 175.93 1d5g s VAL 40 N -2.72 4.64 -0.47 0.00 0.11 -1.26 -0.87 120.40 119.83 1d5g s VAL 40 Ca 0.15 1.39 -0.25 0.00 -2.93 0.00 0.00 61.98 60.35 1d5g s VAL 40 Cb 0.01 -3.99 0.03 0.00 -1.53 0.00 0.00 36.38 30.90 1d5g s VAL 40 CO -0.00 0.52 0.90 -0.63 -3.33 0.00 0.00 175.10 172.56 1d5g s ILE 41 N -0.97 4.49 -1.16 7.04 -1.09 0.10 -4.88 121.20 124.75 1d5g s ILE 41 Ca 0.32 0.65 -0.08 0.00 -2.23 0.00 0.00 60.65 59.30 1d5g s ILE 41 Cb -0.21 -4.42 -0.08 0.00 -1.58 0.00 0.00 42.46 36.17 1d5g s ILE 41 CO 0.21 -0.84 3.00 -0.81 -1.23 0.00 0.00 174.94 175.27 1d5g n PRO 42 N 7.12 3.42 -0.72 2.79 -0.04 -1.26 -3.91 135.00 142.39 1d5g n PRO 42 Ca 0.05 -2.17 0.01 0.00 -0.04 0.00 0.00 63.50 61.34 1d5g n PRO 42 Cb 0.48 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1d5g n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1d5g n GLN 43 N 2.85 0.00 -0.14 0.54 6.02 -1.26 -5.05 117.38 120.34 1d5g n GLN 43 Ca 0.67 -1.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 1d5g n GLN 43 Cb 0.40 -0.36 0.00 0.00 1.02 0.00 0.00 30.24 31.30 1d5g n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1d5g n GLY 44 N 0.11 1.77 0.20 1.08 0.00 -1.25 -5.06 105.19 102.04 1d5g n GLY 44 Ca 0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 1d5g n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5g h ALA 45 N 2.00 0.63 -0.71 4.61 0.00 -1.81 -1.91 119.26 122.07 1d5g h ALA 45 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d5g h ALA 45 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1d5g h ALA 45 CO 0.00 -0.03 0.46 0.00 0.00 0.00 0.00 179.25 179.68 1d5g h ALA 46 N 1.23 1.48 0.09 0.00 0.00 -1.33 0.80 119.26 121.53 1d5g h ALA 46 Ca 0.20 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.81 1d5g h ALA 46 Cb 0.05 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.57 1d5g h ALA 46 CO -0.11 0.48 -1.02 1.49 0.00 0.00 0.00 179.25 180.09 1d5g h GLU 47 N 0.96 0.53 -0.13 0.00 4.22 -1.77 -2.81 114.58 115.59 1d5g h GLU 47 Ca 0.26 -0.69 -0.06 0.00 0.08 0.00 0.00 59.36 58.95 1d5g h GLU 47 Cb -0.10 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1d5g h GLU 47 CO -0.05 1.29 -0.15 1.03 -2.18 0.00 0.00 179.01 178.95 1d5g h SER 48 N 0.09 0.35 0.00 1.04 0.87 -1.01 -3.37 113.55 111.51 1d5g h SER 48 Ca -0.15 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 1d5g h SER 48 Cb 1.72 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1d5g h SER 48 CO 0.20 0.77 -0.09 -0.78 -0.53 0.00 0.00 176.83 176.40 1d5g h ASP 49 N -0.08 0.00 -1.55 6.23 3.58 -1.02 -3.51 116.42 120.07 1d5g h ASP 49 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1d5g h ASP 49 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1d5g h ASP 49 CO 0.04 0.47 0.00 0.61 -2.88 0.00 0.00 179.24 177.47 1d5g n GLY 50 N 1.78 -1.42 0.00 -0.78 0.00 -1.06 -5.08 105.19 98.63 1d5g n GLY 50 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1d5g n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d5g n ARG 51 N 0.45 0.08 -4.72 1.61 5.12 -1.26 -5.10 116.66 112.85 1d5g n ARG 51 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 1d5g n ARG 51 Cb 0.00 -0.54 -0.16 0.00 -1.16 0.00 0.00 32.46 30.60 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1d5g s ILE 52 N -1.07 1.28 0.35 0.55 1.01 -1.26 -5.13 121.20 116.93 1d5g s ILE 52 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1d5g s ILE 52 Cb 0.00 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1d5g s ILE 52 CO 0.00 0.37 0.00 0.00 0.00 0.00 0.00 174.94 175.32 1d5g n HIS 53 N 3.27 0.80 -1.67 3.97 1.44 -1.26 -4.99 115.22 116.78 1d5g n HIS 53 Ca -0.19 -1.74 -0.47 0.00 -2.01 0.00 0.00 57.72 53.32 1d5g n HIS 53 Cb 0.53 -0.23 -0.04 0.00 0.12 0.00 0.00 29.99 30.36 1d5g n HIS 53 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1d5g n LYS 54 N -0.89 2.14 -1.02 -1.40 4.81 -1.26 -2.47 118.16 118.07 1d5g n LYS 54 Ca -0.15 0.78 -0.01 0.00 -0.87 0.00 0.00 58.31 58.06 1d5g n LYS 54 Cb 0.45 -2.56 -0.00 0.00 0.02 0.00 0.00 35.03 32.94 1d5g n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d5g n GLY 55 N 3.61 0.43 3.78 3.14 0.00 -0.90 -3.92 105.19 111.33 1d5g n GLY 55 Ca 0.18 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.11 5.19 -0.31 1.61 1.01 -1.03 -3.94 116.67 117.08 1d5g s ASP 56 Ca 0.00 1.90 0.02 0.00 0.71 0.00 0.00 52.55 55.18 1d5g s ASP 56 Cb 0.00 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.48 1d5g s ASP 56 CO 0.00 -1.57 0.04 -0.13 0.21 0.00 0.00 175.17 173.71 1d5g s ARG 57 N -4.29 1.36 0.06 8.23 3.00 -0.47 -2.98 118.95 123.86 1d5g s ARG 57 Ca 0.65 -1.52 -0.30 0.00 0.00 0.00 0.00 55.73 54.56 1d5g s ARG 57 Cb -0.18 -2.80 -0.05 0.00 0.00 0.00 0.00 34.95 31.92 1d5g s ARG 57 CO 0.44 -0.88 0.96 0.14 0.00 0.00 0.00 175.30 175.96 1d5g s VAL 58 N 1.16 4.66 0.00 3.52 -7.23 -1.24 -0.55 120.40 120.72 1d5g s VAL 58 Ca 0.07 2.05 0.00 0.00 -1.81 0.00 0.00 61.98 62.29 1d5g s VAL 58 Cb -0.19 -4.31 0.00 0.00 0.56 0.00 0.00 36.38 32.44 1d5g s VAL 58 CO -0.12 0.26 0.00 0.18 -0.31 0.00 0.00 175.10 175.11 1d5g n LEU 59 N 3.24 0.00 -4.93 1.32 4.77 -0.61 -4.06 117.00 116.74 1d5g n LEU 59 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.72 1d5g n LEU 59 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1d5g n LEU 59 CO 0.51 -0.30 -0.11 0.00 -1.33 0.00 0.00 177.39 176.17 1d5g s ALA 60 N -2.00 3.97 -0.39 -1.18 0.00 -0.92 -3.41 121.76 117.83 1d5g s ALA 60 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1d5g s ALA 60 Cb 0.00 -1.86 0.10 0.00 0.00 0.00 0.00 23.12 21.37 1d5g s ALA 60 CO 0.00 0.71 0.17 0.08 0.00 0.00 0.00 175.76 176.72 1d5g s VAL 61 N -1.61 3.20 -1.29 0.00 1.01 0.33 -2.19 120.40 119.85 1d5g s VAL 61 Ca 0.36 -1.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.33 1d5g s VAL 61 Cb -0.12 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1d5g s VAL 61 CO 0.28 -0.62 0.87 -3.20 0.00 0.00 0.00 175.10 172.43 1d5g n ASN 62 N 4.58 -2.19 0.00 3.32 2.85 -0.17 -2.24 115.26 121.42 1d5g n ASN 62 Ca -0.03 -0.72 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 1d5g n ASN 62 Cb 0.42 -4.51 0.00 0.00 1.24 0.00 0.00 39.78 36.93 1d5g n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1d5g n GLY 63 N -1.46 2.47 3.53 8.20 0.00 -1.26 -5.00 105.19 111.68 1d5g n GLY 63 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.26 5.15 0.33 1.61 1.01 -0.95 -5.01 120.40 120.27 1d5g s VAL 64 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 1d5g s VAL 64 Cb 0.00 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 1d5g s VAL 64 CO 0.00 0.11 0.96 -0.55 0.00 0.00 0.00 175.10 175.63 1d5g s SER 65 N 1.72 7.28 -0.51 3.32 0.15 -1.26 -0.51 113.70 123.89 1d5g s SER 65 Ca 0.06 1.89 -0.02 0.00 0.70 0.00 0.00 55.95 58.58 1d5g s SER 65 Cb -0.17 -2.58 0.23 0.00 -1.71 0.00 0.00 66.02 61.78 1d5g s SER 65 CO 0.10 -0.11 2.29 0.18 1.20 0.00 0.00 173.24 176.89 1d5g n LEU 66 N 0.56 6.86 -4.63 3.45 4.32 -1.22 -4.94 117.00 121.40 1d5g n LEU 66 Ca 0.02 -3.98 -0.43 0.00 -0.02 0.00 0.00 56.01 51.60 1d5g n LEU 66 Cb 0.50 -1.11 -0.03 0.00 -1.62 0.00 0.00 43.42 41.16 1d5g n LEU 66 CO 0.45 1.53 1.45 -1.61 -1.22 0.00 0.00 177.39 177.98 1d5g s GLU 67 N -2.49 3.72 0.00 3.23 2.02 -1.26 -2.40 118.70 121.52 1d5g s GLU 67 Ca 0.50 1.75 0.00 0.00 0.02 0.00 0.00 54.97 57.24 1d5g s GLU 67 Cb 0.37 -4.09 0.00 0.00 0.10 0.00 0.00 34.13 30.51 1d5g s GLU 67 CO -0.14 -1.39 0.00 0.41 0.02 0.00 0.00 175.26 174.15 1d5g n GLY 68 N 4.82 0.72 3.77 -1.39 0.00 -1.26 -5.06 105.19 106.79 1d5g n GLY 68 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.25 3.24 0.72 4.61 0.00 -1.01 -5.09 121.76 121.99 1d5g s ALA 69 Ca 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 1d5g s ALA 69 Cb 0.00 -3.24 0.12 0.00 0.00 0.00 0.00 23.12 19.99 1d5g s ALA 69 CO 0.00 0.01 1.00 0.95 0.00 0.00 0.00 175.76 177.72 1d5g s THR 70 N -1.45 2.20 0.29 0.00 -4.23 -1.26 -4.80 115.64 106.40 1d5g s THR 70 Ca 0.49 -0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1d5g s THR 70 Cb -0.24 -2.69 0.26 0.00 1.34 0.00 0.00 72.50 71.18 1d5g s THR 70 CO 0.30 0.00 1.96 -0.74 -0.54 0.00 0.00 174.62 175.60 1d5g h HIS 71 N -0.57 1.06 -0.90 3.99 2.76 -1.62 -2.17 115.15 117.71 1d5g h HIS 71 Ca -0.39 0.03 0.14 0.00 -2.20 0.00 0.00 60.37 57.95 1d5g h HIS 71 Cb 1.27 -0.36 -0.09 0.00 1.55 0.00 0.00 27.41 29.78 1d5g h HIS 71 CO -0.17 0.65 0.51 -0.22 -1.30 0.00 0.00 177.93 177.40 1d5g h LYS 72 N 1.13 0.72 -0.18 5.26 1.63 -1.94 -1.93 116.57 121.27 1d5g h LYS 72 Ca 0.32 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.92 1d5g h LYS 72 Cb -0.09 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.38 1d5g h LYS 72 CO -0.08 0.48 -0.55 1.96 -3.45 0.00 0.00 179.45 177.81 1d5g h GLN 73 N 0.75 0.53 -0.44 1.90 1.08 -1.78 0.19 115.11 117.34 1d5g h GLN 73 Ca 0.48 -0.34 -0.08 0.00 -1.45 0.00 0.00 58.65 57.26 1d5g h GLN 73 Cb 0.62 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 1d5g h GLN 73 CO -0.33 0.94 -0.06 0.00 -0.95 0.00 0.00 178.83 178.43 1d5g h ALA 74 N 0.99 1.07 0.16 3.87 0.00 -1.31 -2.19 119.26 121.84 1d5g h ALA 74 Ca 0.01 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.39 1d5g h ALA 74 Cb 1.09 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.73 1d5g h ALA 74 CO 0.10 0.58 -1.05 0.28 0.00 0.00 0.00 179.25 179.16 1d5g h VAL 75 N 0.69 1.40 -0.70 0.00 2.07 -1.15 -3.06 116.25 115.51 1d5g h VAL 75 Ca 0.13 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.11 1d5g h VAL 75 Cb 0.52 3.02 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 1d5g h VAL 75 CO 0.03 0.74 0.39 -0.08 0.02 0.00 0.00 177.57 178.67 1d5g h GLU 76 N -0.10 0.95 0.00 1.57 4.81 -0.65 -0.47 114.58 120.70 1d5g h GLU 76 Ca -0.18 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1d5g h GLU 76 Cb 1.80 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 1d5g h GLU 76 CO 0.20 0.69 -0.15 1.79 -0.73 0.00 0.00 179.01 180.80 1d5g h THR 77 N 0.96 0.41 0.19 0.32 1.35 -1.49 0.45 112.91 115.10 1d5g h THR 77 Ca 0.25 -0.90 -0.30 0.00 -0.55 0.00 0.00 66.41 64.91 1d5g h THR 77 Cb -0.00 1.65 0.03 0.00 -1.73 0.00 0.00 68.15 68.11 1d5g h THR 77 CO -0.04 0.15 -1.29 -0.07 -0.25 0.00 0.00 175.52 174.02 1d5g h LEU 78 N 0.00 0.80 -0.51 3.87 3.38 -1.12 -3.14 115.31 118.59 1d5g h LEU 78 Ca -0.00 -0.89 -0.04 0.00 0.09 0.00 0.00 57.88 57.04 1d5g h LEU 78 Cb 0.64 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1d5g h LEU 78 CO 0.02 1.63 0.17 0.03 0.09 0.00 0.00 178.44 180.38 1d5g h ARG 79 N 0.10 0.78 -2.44 1.13 2.47 -1.07 -3.02 114.38 112.33 1d5g h ARG 79 Ca -0.22 -0.16 -0.75 0.00 -1.26 0.00 0.00 59.98 57.60 1d5g h ARG 79 Cb 2.00 -0.12 -0.18 0.00 -1.65 0.00 0.00 29.97 30.02 1d5g h ARG 79 CO 0.24 0.72 1.82 0.09 0.56 0.00 0.00 179.97 183.40 1d5g n ASN 80 N -4.51 7.73 0.00 7.04 3.02 0.14 -4.48 115.26 124.20 1d5g n ASN 80 Ca 0.02 -3.33 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 1d5g n ASN 80 Cb 0.18 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 1d5g n ASN 80 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1d5g n THR 81 N 1.05 0.00 0.00 3.41 -2.24 -1.14 -4.78 114.28 110.59 1d5g n THR 81 Ca 0.57 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.72 1d5g n THR 81 Cb 0.27 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 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 1.96 0.32 0.11 3.38 0.00 -1.26 -4.70 105.19 104.99 1d5g n GLY 82 Ca 0.00 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 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 0.22 -6.87 1.61 5.75 -1.98 -3.44 115.11 110.41 1d5g h GLN 83 Ca 0.00 -0.26 -0.69 0.00 -0.15 0.00 0.00 58.65 57.55 1d5g h GLN 83 Cb 0.00 0.08 -0.23 0.00 1.07 0.00 0.00 27.48 28.40 1d5g h GLN 83 CO 0.00 1.00 -0.87 0.54 -2.65 0.00 0.00 178.83 176.85 1d5g s VAL 84 N -2.98 2.23 -0.17 2.39 0.11 -1.26 -0.93 120.40 119.79 1d5g s VAL 84 Ca -0.15 -1.69 -0.00 0.00 -2.93 0.00 0.00 61.98 57.21 1d5g s VAL 84 Cb 0.01 -1.96 0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1d5g s VAL 84 CO 0.76 0.14 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.91 1d5g s VAL 85 N -1.01 1.30 -0.23 2.04 1.01 0.11 -4.92 120.40 118.70 1d5g s VAL 85 Ca 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1d5g s VAL 85 Cb -0.10 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.91 1d5g s VAL 85 CO 0.05 0.20 -0.11 -1.00 0.00 0.00 0.00 175.10 174.24 1d5g s HIS 86 N 1.56 3.03 0.06 5.22 3.76 -1.26 -0.60 115.29 127.07 1d5g s HIS 86 Ca 0.01 -1.76 -0.06 0.00 -0.15 0.00 0.00 55.06 53.11 1d5g s HIS 86 Cb -0.15 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.54 1d5g s HIS 86 CO -0.08 -0.79 0.10 -0.48 -0.85 0.00 0.00 174.74 172.64 1d5g s LEU 87 N 1.26 1.83 -0.06 0.89 2.34 -1.00 -0.99 118.68 122.95 1d5g s LEU 87 Ca -0.01 -0.69 0.05 0.00 0.06 0.00 0.00 54.13 53.55 1d5g s LEU 87 Cb -0.16 0.66 -0.01 0.00 -0.56 0.00 0.00 46.19 46.12 1d5g s LEU 87 CO -0.07 -0.61 -0.22 -0.76 -1.06 0.00 0.00 176.35 173.63 1d5g s LEU 88 N -2.58 2.01 0.32 1.48 1.02 -0.93 -2.03 118.68 117.97 1d5g s LEU 88 Ca 0.02 -0.46 0.04 0.00 0.02 0.00 0.00 54.13 53.74 1d5g s LEU 88 Cb 0.03 -1.24 -0.06 0.00 0.02 0.00 0.00 46.19 44.94 1d5g s LEU 88 CO -0.08 0.20 0.06 -0.76 0.02 0.00 0.00 176.35 175.79 1d5g s LEU 89 N -0.02 2.16 -0.07 1.79 1.02 -0.30 -1.57 118.68 121.68 1d5g s LEU 89 Ca -0.06 -1.38 0.04 0.00 0.02 0.00 0.00 54.13 52.75 1d5g s LEU 89 Cb -0.14 -0.36 -0.02 0.00 0.02 0.00 0.00 46.19 45.69 1d5g s LEU 89 CO 0.04 -0.62 -0.18 -0.70 0.02 0.00 0.00 176.35 174.91 1d5g s GLU 90 N -3.90 2.77 0.09 1.70 2.12 0.29 -1.76 118.70 120.01 1d5g s GLU 90 Ca 0.36 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 1d5g s GLU 90 Cb 0.09 -2.36 -0.06 0.00 0.26 0.00 0.00 34.13 32.05 1d5g s GLU 90 CO 0.15 0.42 1.16 0.21 -0.54 0.00 0.00 175.26 176.66 1d5g s LYS 91 N -0.21 4.48 0.00 4.30 2.20 0.09 -1.37 119.74 129.22 1d5g s LYS 91 Ca -0.01 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 1d5g s LYS 91 Cb -0.13 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1d5g s LYS 91 CO 0.03 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1d5g n GLY 92 N 2.90 1.45 3.82 5.54 0.00 -1.25 -4.40 105.19 113.24 1d5g n GLY 92 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 0.47 3.69 -0.05 1.61 -0.21 -1.25 -4.70 119.66 119.22 1d5g s GLN 93 Ca 0.00 1.08 -0.14 0.00 0.02 0.00 0.00 55.36 56.32 1d5g s GLN 93 Cb 0.00 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 1d5g s GLN 93 CO 0.00 -0.49 0.36 -1.12 -2.12 0.00 0.00 175.29 171.92 1d5g s SER 94 N -2.89 6.69 0.01 5.90 0.01 -1.26 -5.01 113.70 117.16 1d5g s SER 94 Ca 0.61 0.82 -0.22 0.00 1.31 0.00 0.00 55.95 58.48 1d5g s SER 94 Cb -0.13 -2.22 -0.17 0.00 0.21 0.00 0.00 66.02 63.71 1d5g s SER 94 CO 0.33 0.29 1.28 -0.65 0.41 0.00 0.00 173.24 174.89 1d5g h PRO 95 N 5.13 0.26 0.00 12.44 0.11 -2.01 -3.55 132.00 144.38 1d5g h PRO 95 Ca -0.50 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.45 1d5g h PRO 95 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1d5g h PRO 95 CO 0.64 0.73 0.00 -2.37 -0.21 0.00 0.00 178.00 176.78