#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 2.72 0.28 0.54 1.02 -1.26 -5.01 119.74 118.03 1d5g s LYS 2 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1d5g s LYS 2 Cb 0.00 -2.46 0.40 0.00 -0.52 0.00 0.00 37.83 35.25 1d5g s LYS 2 CO 0.00 -0.61 1.76 -1.35 -0.92 0.00 0.00 175.35 174.23 1d5g h PRO 3 N 0.09 0.63 -3.42 -1.68 0.11 -1.95 -3.14 132.00 122.64 1d5g h PRO 3 Ca -0.44 -0.19 -0.78 0.00 0.11 0.00 0.00 66.00 64.70 1d5g h PRO 3 Cb 1.28 -0.06 -0.23 0.00 0.11 0.00 0.00 31.00 32.09 1d5g h PRO 3 CO 0.55 0.72 1.15 0.41 -0.21 0.00 0.00 178.00 180.63 1d5g n GLY 4 N -0.57 4.68 3.75 -0.55 0.00 -1.26 -4.59 105.19 106.65 1d5g n GLY 4 Ca 0.01 -2.41 -0.40 0.00 0.00 0.00 0.00 46.02 43.22 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 0.06 7.60 0.06 1.61 2.15 -1.19 -4.62 116.67 122.34 1d5g s ASP 5 Ca 0.35 1.96 -0.27 0.00 0.43 0.00 0.00 52.55 55.01 1d5g s ASP 5 Cb 0.03 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1d5g s ASP 5 CO 0.03 0.12 0.86 -0.63 -0.17 0.00 0.00 175.17 175.38 1d5g s ILE 6 N -1.22 4.66 0.07 4.11 1.09 -1.26 -0.89 121.20 127.76 1d5g s ILE 6 Ca 0.42 1.83 0.04 0.00 -1.10 0.00 0.00 60.65 61.83 1d5g s ILE 6 Cb -0.26 -4.21 -0.03 0.00 -1.06 0.00 0.00 42.46 36.90 1d5g s ILE 6 CO 0.32 0.33 -0.10 0.72 -0.10 0.00 0.00 174.94 176.10 1d5g s PHE 7 N 0.08 0.96 -0.18 3.97 -0.71 -0.02 -4.96 117.98 117.12 1d5g s PHE 7 Ca 0.43 -0.54 -0.07 0.00 -1.04 0.00 0.00 56.93 55.70 1d5g s PHE 7 Cb -0.22 -0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 41.01 1d5g s PHE 7 CO 0.26 -0.02 0.06 -1.83 -1.34 0.00 0.00 175.22 172.35 1d5g s GLU 8 N -2.03 3.93 -0.29 1.99 -1.05 -1.26 -0.56 118.70 119.43 1d5g s GLU 8 Ca -0.03 -0.35 -0.10 0.00 -0.15 0.00 0.00 54.97 54.35 1d5g s GLU 8 Cb -0.08 -3.19 -0.02 0.00 -0.44 0.00 0.00 34.13 30.40 1d5g s GLU 8 CO 0.01 0.30 0.15 0.08 0.95 0.00 0.00 175.26 176.75 1d5g s VAL 9 N 0.30 4.80 -0.40 1.83 1.01 -0.32 -4.99 120.40 122.64 1d5g s VAL 9 Ca 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1d5g s VAL 9 Cb -0.12 -3.37 0.10 0.00 0.00 0.00 0.00 36.38 32.99 1d5g s VAL 9 CO 0.00 0.17 0.18 -0.70 0.00 0.00 0.00 175.10 174.75 1d5g s GLU 10 N 1.67 2.08 0.26 2.72 2.12 -1.26 -1.17 118.70 125.11 1d5g s GLU 10 Ca 0.06 -1.74 0.01 0.00 0.36 0.00 0.00 54.97 53.66 1d5g s GLU 10 Cb -0.16 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 1d5g s GLU 10 CO 0.07 -1.02 0.11 -1.17 -0.54 0.00 0.00 175.26 172.72 1d5g s LEU 11 N 1.17 1.56 0.11 2.70 2.96 0.53 -5.02 118.68 122.69 1d5g s LEU 11 Ca 0.07 -1.41 -0.09 0.00 -0.22 0.00 0.00 54.13 52.48 1d5g s LEU 11 Cb -0.22 0.10 -0.00 0.00 0.50 0.00 0.00 46.19 46.57 1d5g s LEU 11 CO -0.04 -0.77 0.22 0.00 -1.32 0.00 0.00 176.35 174.45 1d5g s ALA 12 N -3.80 -0.19 -0.49 5.97 0.00 -1.26 -1.07 121.76 120.92 1d5g s ALA 12 Ca 0.38 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 1d5g s ALA 12 Cb 0.07 0.59 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1d5g s ALA 12 CO 0.14 -0.55 1.68 0.21 0.00 0.00 0.00 175.76 177.24 1d5g s LYS 13 N -3.89 3.12 -0.11 0.00 2.20 0.88 -4.81 119.74 117.13 1d5g s LYS 13 Ca 0.08 0.86 -0.11 0.00 -0.36 0.00 0.00 55.97 56.43 1d5g s LYS 13 Cb 0.04 -4.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.10 1d5g s LYS 13 CO -0.08 -2.13 -0.22 0.27 -0.36 0.00 0.00 175.35 172.82 1d5g n ASN 14 N 10.75 1.34 -0.02 1.43 6.94 -1.26 -4.90 115.26 129.54 1d5g n ASN 14 Ca 0.19 0.22 -0.01 0.00 -0.02 0.00 0.00 54.58 54.96 1d5g n ASN 14 Cb 0.49 -0.62 -0.00 0.00 -2.36 0.00 0.00 39.78 37.29 1d5g n ASN 14 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1d5g h ASP 15 N -0.64 0.00 -5.16 0.53 1.82 -1.98 -3.50 116.42 107.49 1d5g h ASP 15 Ca 0.00 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 56.21 1d5g h ASP 15 Cb 0.64 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 40.51 1d5g h ASP 15 CO 0.00 0.26 -0.53 0.21 -1.61 0.00 0.00 179.24 177.57 1d5g s ASN 16 N -4.24 1.56 -0.01 2.28 3.84 -1.26 -5.07 114.94 112.04 1d5g s ASN 16 Ca -0.04 -1.64 -0.00 0.00 0.21 0.00 0.00 52.86 51.40 1d5g s ASN 16 Cb 0.00 0.48 -0.00 0.00 -0.55 0.00 0.00 41.25 41.18 1d5g s ASN 16 CO 0.05 -0.96 -0.01 -1.28 -2.79 0.00 0.00 177.10 172.11 1d5g h SER 17 N 2.18 0.00 0.00 -4.21 0.87 -1.92 -3.41 113.55 107.06 1d5g h SER 17 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1d5g h SER 17 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1d5g h SER 17 CO 0.46 0.06 0.00 0.18 -0.53 0.00 0.00 176.83 176.99 1d5g n LEU 18 N -2.33 0.00 -0.11 2.23 4.32 -1.26 -4.51 117.00 115.33 1d5g n LEU 18 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1d5g n LEU 18 Cb 0.01 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1d5g n LEU 18 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1d5g n GLY 19 N 4.64 0.79 3.24 -0.72 0.00 -1.26 -0.81 105.19 111.07 1d5g n GLY 19 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.83 0.09 -0.03 -0.61 2.07 -1.26 -3.80 121.20 115.83 1d5g s ILE 20 Ca 0.00 -1.60 0.07 0.00 -1.41 0.00 0.00 60.65 57.71 1d5g s ILE 20 Cb 0.00 -1.87 -0.01 0.00 0.13 0.00 0.00 42.46 40.70 1d5g s ILE 20 CO 0.00 -0.42 -0.23 -0.55 -1.91 0.00 0.00 174.94 171.83 1d5g s SER 21 N -2.99 2.74 0.17 4.50 0.15 -0.61 -4.87 113.70 112.79 1d5g s SER 21 Ca 0.19 -0.43 0.09 0.00 0.70 0.00 0.00 55.95 56.50 1d5g s SER 21 Cb 0.05 -0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 1d5g s SER 21 CO -0.00 0.26 -0.20 -0.69 1.20 0.00 0.00 173.24 173.81 1d5g s VAL 22 N -0.39 1.97 -0.34 4.45 1.01 -1.26 -0.50 120.40 125.34 1d5g s VAL 22 Ca 0.05 -1.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.07 1d5g s VAL 22 Cb -0.10 -1.92 0.12 0.00 0.00 0.00 0.00 36.38 34.48 1d5g s VAL 22 CO 0.00 -0.25 0.18 0.28 0.00 0.00 0.00 175.10 175.31 1d5g s THR 23 N -1.91 0.36 0.00 3.92 -1.32 -0.47 -4.71 115.64 111.50 1d5g s THR 23 Ca 0.17 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 1d5g s THR 23 Cb -0.06 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.65 1d5g s THR 23 CO 0.08 -0.86 0.00 0.61 -2.21 0.00 0.00 174.62 172.23 1d5g n GLY 24 N 4.42 -0.31 0.13 6.08 0.00 -1.26 -4.42 105.19 109.83 1d5g n GLY 24 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.60 0.00 -0.02 0.00 -1.26 -4.05 105.19 100.46 1d5g n GLY 25 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.05 0.00 -0.04 1.61 0.31 -1.26 -1.68 118.33 117.22 1d5g n VAL 26 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1d5g n VAL 26 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1d5g n VAL 26 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1d5g h ASN 27 N 0.00 -0.03 -3.72 4.52 4.21 -1.97 -3.37 115.58 115.22 1d5g h ASN 27 Ca 0.00 -0.72 -0.13 0.00 1.21 0.00 0.00 56.30 56.65 1d5g h ASN 27 Cb 0.00 0.01 -0.25 0.00 -1.12 0.00 0.00 38.32 36.96 1d5g h ASN 27 CO 0.00 0.77 -0.30 0.28 -1.29 0.00 0.00 177.43 176.89 1d5g s THR 28 N -2.69 -0.01 0.00 2.81 -1.32 -1.26 -4.85 115.64 108.32 1d5g s THR 28 Ca -0.16 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1d5g s THR 28 Cb -0.01 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 1d5g s THR 28 CO 0.59 0.01 0.00 -1.20 -2.21 0.00 0.00 174.62 171.81 1d5g n SER 29 N 3.21 0.00 0.12 8.08 7.64 -1.26 -5.02 113.62 126.39 1d5g n SER 29 Ca -0.16 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.66 1d5g n SER 29 Cb 0.57 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.73 1d5g n SER 29 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1d5g h VAL 30 N 0.00 0.09 0.00 0.44 2.07 -1.72 -3.49 116.25 113.64 1d5g h VAL 30 Ca 0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1d5g h VAL 30 Cb 0.00 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1d5g h VAL 30 CO 0.00 0.02 0.00 -2.11 0.02 0.00 0.00 177.57 175.50 1d5g n ARG 31 N -5.04 0.00 -1.88 1.57 1.85 -1.26 -4.98 116.66 106.92 1d5g n ARG 31 Ca -0.05 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.39 1d5g n ARG 31 Cb 0.17 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.58 1d5g n ARG 31 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 1d5g n HIS 32 N 0.00 2.87 0.00 2.89 1.44 -1.26 -4.76 115.22 116.40 1d5g n HIS 32 Ca 0.00 -2.91 0.00 0.00 -2.01 0.00 0.00 57.72 52.80 1d5g n HIS 32 Cb 0.00 -2.19 0.00 0.00 0.12 0.00 0.00 29.99 27.92 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 3.01 0.70 0.00 -1.39 0.00 -1.26 -1.21 105.19 105.03 1d5g n GLY 33 Ca 0.57 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.84 3.16 -0.02 0.00 -1.26 -2.48 105.19 102.75 1d5g n GLY 34 Ca 0.00 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.03 1.48 -0.08 -0.61 -1.09 -1.26 -4.23 121.20 114.38 1d5g s ILE 35 Ca 0.00 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.68 1d5g s ILE 35 Cb 0.00 -1.25 0.01 0.00 -1.58 0.00 0.00 42.46 39.64 1d5g s ILE 35 CO 0.00 0.42 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.49 1d5g s TYR 36 N -0.16 1.88 0.17 3.97 6.14 -1.26 -3.45 117.35 124.65 1d5g s TYR 36 Ca 0.00 -0.73 -0.30 0.00 0.64 0.00 0.00 57.07 56.68 1d5g s TYR 36 Cb -0.10 -1.31 -0.07 0.00 0.42 0.00 0.00 41.96 40.89 1d5g s TYR 36 CO 0.01 -0.33 1.08 0.08 0.64 0.00 0.00 175.55 177.03 1d5g s VAL 37 N 0.54 3.95 -0.12 3.14 1.01 -0.87 -1.37 120.40 126.68 1d5g s VAL 37 Ca -0.16 1.69 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 1d5g s VAL 37 Cb -0.17 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1d5g s VAL 37 CO 0.06 0.29 -0.12 0.50 0.00 0.00 0.00 175.10 175.82 1d5g h LYS 38 N 5.12 0.00 -2.99 2.72 3.64 -1.07 -1.46 116.57 122.52 1d5g h LYS 38 Ca -0.44 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1d5g h LYS 38 Cb 1.21 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 1d5g h LYS 38 CO 0.72 0.00 0.22 0.00 -2.27 0.00 0.00 179.45 178.12 1d5g s ALA 39 N -2.74 -1.50 -0.04 5.00 0.00 -1.15 -4.43 121.76 116.90 1d5g s ALA 39 Ca -0.10 0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 1d5g s ALA 39 Cb 0.01 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.96 1d5g s ALA 39 CO 0.15 -0.84 0.53 0.54 0.00 0.00 0.00 175.76 176.14 1d5g s VAL 40 N -3.78 5.02 0.06 0.00 0.11 -1.26 -1.57 120.40 118.97 1d5g s VAL 40 Ca 0.04 1.08 -0.26 0.00 -2.93 0.00 0.00 61.98 59.91 1d5g s VAL 40 Cb -0.02 -3.86 -0.06 0.00 -1.53 0.00 0.00 36.38 30.91 1d5g s VAL 40 CO -0.08 0.42 0.80 -0.63 -3.33 0.00 0.00 175.10 172.28 1d5g s ILE 41 N -0.09 4.69 -1.18 7.04 -1.09 -1.25 -4.94 121.20 124.39 1d5g s ILE 41 Ca 0.28 1.70 -0.20 0.00 -2.23 0.00 0.00 60.65 60.20 1d5g s ILE 41 Cb -0.17 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 1d5g s ILE 41 CO 0.14 0.36 1.91 -0.81 -1.23 0.00 0.00 174.94 175.31 1d5g n PRO 42 N 2.78 2.20 0.00 2.79 -0.04 -1.26 -4.26 135.00 137.21 1d5g n PRO 42 Ca -0.02 -2.61 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 1d5g n PRO 42 Cb 0.50 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 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 7.83 0.00 0.00 0.54 -0.06 -1.26 -5.11 117.38 119.31 1d5g n GLN 43 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.48 1d5g n GLN 43 Cb 0.44 -0.43 0.00 0.00 -4.06 0.00 0.00 30.24 26.20 1d5g n GLN 43 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1d5g n GLY 44 N 1.33 5.37 0.34 1.69 0.00 -1.26 -4.90 105.19 107.77 1d5g n GLY 44 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 46.02 45.04 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 1.11 1.05 -0.07 4.61 0.00 -1.19 -0.91 119.26 123.85 1d5g h ALA 45 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1d5g h ALA 45 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1d5g h ALA 45 CO 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.86 1d5g h ALA 46 N 1.18 -0.01 0.08 0.00 0.00 -1.82 -0.88 119.26 117.82 1d5g h ALA 46 Ca 0.27 0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.94 1d5g h ALA 46 Cb 0.21 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1d5g h ALA 46 CO -0.02 -0.54 -1.14 1.49 0.00 0.00 0.00 179.25 179.04 1d5g h GLU 47 N -0.08 0.48 -0.17 0.00 4.57 -1.81 -1.61 114.58 115.95 1d5g h GLU 47 Ca 0.05 -0.62 -0.01 0.00 -1.18 0.00 0.00 59.36 57.60 1d5g h GLU 47 Cb 0.16 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1d5g h GLU 47 CO -0.12 1.25 0.08 1.03 -1.18 0.00 0.00 179.01 180.07 1d5g h SER 48 N 0.22 0.23 0.07 1.04 0.87 -0.93 -3.15 113.55 111.90 1d5g h SER 48 Ca -0.14 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.18 1d5g h SER 48 Cb 1.81 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 63.72 1d5g h SER 48 CO 0.21 0.28 -0.56 -0.78 -0.53 0.00 0.00 176.83 175.45 1d5g h ASP 49 N 0.15 0.24 -0.92 6.23 3.58 -1.34 -3.50 116.42 120.86 1d5g h ASP 49 Ca 0.06 -0.94 0.00 0.00 0.42 0.00 0.00 57.03 56.57 1d5g h ASP 49 Cb 0.12 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1d5g h ASP 49 CO -0.01 1.26 0.00 0.61 -2.88 0.00 0.00 179.24 178.22 1d5g n GLY 50 N 1.64 0.42 0.25 -0.78 0.00 -0.64 -5.08 105.19 100.99 1d5g n GLY 50 Ca -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.26 0.00 -4.71 1.61 0.63 -0.99 -5.04 116.66 107.90 1d5g n ARG 51 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 1d5g n ARG 51 Cb 0.11 -0.45 -0.16 0.00 0.45 0.00 0.00 32.46 32.41 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1d5g s ILE 52 N -1.14 1.26 0.00 5.15 1.01 -1.26 -5.13 121.20 121.09 1d5g s ILE 52 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1d5g s ILE 52 Cb 0.00 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1d5g s ILE 52 CO 0.00 0.37 0.00 0.00 0.00 0.00 0.00 174.94 175.31 1d5g n HIS 53 N 3.28 -0.00 -1.67 3.97 1.44 -1.26 -4.69 115.22 116.28 1d5g n HIS 53 Ca -0.19 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.07 1d5g n HIS 53 Cb 0.53 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.61 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 0.00 2.06 -0.74 -1.40 4.81 -1.26 -2.76 118.16 118.87 1d5g n LYS 54 Ca 0.00 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1d5g n LYS 54 Cb 0.00 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 32.63 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 2.39 1.24 3.80 3.14 0.00 -0.55 -4.85 105.19 110.37 1d5g n GLY 55 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.05 6.29 -0.02 1.61 1.01 -1.11 -3.66 116.67 117.74 1d5g s ASP 56 Ca 0.00 1.86 0.06 0.00 0.71 0.00 0.00 52.55 55.18 1d5g s ASP 56 Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 1d5g s ASP 56 CO 0.00 -0.81 -0.21 -0.13 0.21 0.00 0.00 175.17 174.23 1d5g s ARG 57 N -3.46 1.78 0.33 8.23 0.52 -0.62 -2.06 118.95 123.67 1d5g s ARG 57 Ca 0.66 -0.74 -0.06 0.00 -0.52 0.00 0.00 55.73 55.06 1d5g s ARG 57 Cb -0.15 -1.67 -0.05 0.00 0.52 0.00 0.00 34.95 33.59 1d5g s ARG 57 CO 0.24 0.41 0.62 0.14 0.02 0.00 0.00 175.30 176.73 1d5g s VAL 58 N -0.39 4.96 0.00 3.52 -7.23 -1.22 -0.47 120.40 119.58 1d5g s VAL 58 Ca 0.05 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 1d5g s VAL 58 Cb -0.09 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1d5g s VAL 58 CO -0.00 -0.42 0.00 0.18 -0.31 0.00 0.00 175.10 174.55 1d5g n LEU 59 N -1.16 0.00 -4.87 1.32 4.77 -0.16 -4.57 117.00 112.34 1d5g n LEU 59 Ca -0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1d5g n LEU 59 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1d5g n LEU 59 CO 0.48 0.00 -0.18 0.00 -1.33 0.00 0.00 177.39 176.36 1d5g s ALA 60 N -2.11 3.85 -0.73 -1.18 0.00 -1.16 -3.98 121.76 116.46 1d5g s ALA 60 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 1d5g s ALA 60 Cb 0.00 -1.81 0.19 0.00 0.00 0.00 0.00 23.12 21.50 1d5g s ALA 60 CO 0.00 0.72 0.64 0.54 0.00 0.00 0.00 175.76 177.66 1d5g s VAL 61 N -1.25 5.11 -1.14 0.00 0.11 0.55 -2.21 120.40 121.58 1d5g s VAL 61 Ca 0.25 -2.39 -0.05 0.00 -2.93 0.00 0.00 61.98 56.86 1d5g s VAL 61 Cb -0.12 -4.21 -0.03 0.00 -1.53 0.00 0.00 36.38 30.48 1d5g s VAL 61 CO 0.16 -0.96 0.91 -3.20 -3.33 0.00 0.00 175.10 168.67 1d5g n ASN 62 N 4.12 -4.36 0.00 3.54 2.85 -1.23 -2.43 115.26 117.74 1d5g n ASN 62 Ca 0.07 -0.72 0.00 0.00 -0.11 0.00 0.00 54.58 53.82 1d5g n ASN 62 Cb 0.44 -4.88 0.00 0.00 1.24 0.00 0.00 39.78 36.58 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 -1.28 2.38 3.59 8.20 0.00 -1.26 -5.01 105.19 111.81 1d5g n GLY 63 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.39 4.85 0.64 1.61 1.01 -1.02 -5.09 120.40 120.01 1d5g s VAL 64 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1d5g s VAL 64 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1d5g s VAL 64 CO 0.00 0.39 1.04 -0.94 0.00 0.00 0.00 175.10 175.59 1d5g s SER 65 N 0.95 5.87 -0.31 3.32 1.04 -1.26 -0.33 113.70 122.99 1d5g s SER 65 Ca 0.05 1.55 0.07 0.00 0.48 0.00 0.00 55.95 58.11 1d5g s SER 65 Cb -0.14 -2.49 0.46 0.00 0.10 0.00 0.00 66.02 63.95 1d5g s SER 65 CO 0.03 -1.11 1.30 0.18 0.98 0.00 0.00 173.24 174.62 1d5g n LEU 66 N -2.73 4.61 -4.63 2.42 7.99 -1.26 -4.87 117.00 118.53 1d5g n LEU 66 Ca 0.07 -4.42 -0.43 0.00 -0.01 0.00 0.00 56.01 51.22 1d5g n LEU 66 Cb 0.54 -0.47 -0.03 0.00 -0.11 0.00 0.00 43.42 43.35 1d5g n LEU 66 CO 0.55 1.81 1.42 -1.83 -1.51 0.00 0.00 177.39 177.83 1d5g s GLU 67 N -3.50 3.84 -0.02 3.23 -1.05 -1.26 -2.65 118.70 117.29 1d5g s GLU 67 Ca 0.49 1.84 0.00 0.00 -0.15 0.00 0.00 54.97 57.15 1d5g s GLU 67 Cb 0.41 -4.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.04 1d5g s GLU 67 CO 0.01 -1.25 0.00 0.41 0.95 0.00 0.00 175.26 175.38 1d5g n GLY 68 N 4.63 0.44 3.80 -3.83 0.00 -0.35 -5.03 105.19 104.85 1d5g n GLY 68 Ca 0.19 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 3.03 0.69 4.61 0.00 -1.08 -4.88 121.76 122.12 1d5g s ALA 69 Ca 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 1d5g s ALA 69 Cb 0.00 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 20.00 1d5g s ALA 69 CO 0.00 -0.07 0.96 0.95 0.00 0.00 0.00 175.76 177.60 1d5g s THR 70 N -1.91 2.30 0.30 0.00 -4.23 -1.26 -4.33 115.64 106.50 1d5g s THR 70 Ca 0.61 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1d5g s THR 70 Cb -0.16 -2.78 0.22 0.00 1.34 0.00 0.00 72.50 71.13 1d5g s THR 70 CO 0.20 0.00 1.92 -0.74 -0.54 0.00 0.00 174.62 175.46 1d5g h HIS 71 N -0.45 0.96 -0.56 3.99 2.76 -1.54 -0.35 115.15 119.95 1d5g h HIS 71 Ca -0.40 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 57.67 1d5g h HIS 71 Cb 1.28 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.91 1d5g h HIS 71 CO -0.01 0.67 0.00 -0.22 -1.30 0.00 0.00 177.93 177.07 1d5g h LYS 72 N 0.98 0.99 -0.32 5.26 3.11 -1.96 -2.01 116.57 122.64 1d5g h LYS 72 Ca 0.25 -0.32 -0.15 0.00 -2.81 0.00 0.00 60.65 57.63 1d5g h LYS 72 Cb 0.03 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1d5g h LYS 72 CO -0.04 0.99 -0.37 0.37 -2.81 0.00 0.00 179.45 177.59 1d5g h GLN 73 N 0.88 0.81 -0.08 1.90 5.75 -1.84 -3.22 115.11 119.31 1d5g h GLN 73 Ca 0.16 -0.45 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 1d5g h GLN 73 Cb 0.54 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.11 1d5g h GLN 73 CO 0.03 1.08 0.00 0.00 -2.65 0.00 0.00 178.83 177.29 1d5g h ALA 74 N 0.72 0.11 -0.59 3.38 0.00 -1.09 -3.22 119.26 118.57 1d5g h ALA 74 Ca 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1d5g h ALA 74 Cb 0.96 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1d5g h ALA 74 CO 0.09 -0.21 0.20 -0.39 0.00 0.00 0.00 179.25 178.93 1d5g h VAL 75 N -0.14 1.22 -0.37 0.00 -1.51 -1.37 0.20 116.25 114.28 1d5g h VAL 75 Ca 0.02 -0.74 -0.03 0.00 -1.23 0.00 0.00 66.70 64.72 1d5g h VAL 75 Cb 0.34 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.05 1d5g h VAL 75 CO 0.00 0.29 0.10 -0.33 -1.23 0.00 0.00 177.57 176.40 1d5g h GLU 76 N 0.85 0.57 -0.63 5.19 4.39 -1.68 0.26 114.58 123.53 1d5g h GLU 76 Ca 0.20 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1d5g h GLU 76 Cb 0.23 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1d5g h GLU 76 CO -0.01 0.60 0.41 1.15 -1.16 0.00 0.00 179.01 180.00 1d5g h THR 77 N 0.44 1.16 0.17 1.13 2.02 -1.42 -2.26 112.91 114.16 1d5g h THR 77 Ca 0.12 -0.31 -0.30 0.00 0.77 0.00 0.00 66.41 66.69 1d5g h THR 77 Cb 0.27 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1d5g h THR 77 CO -0.00 0.16 -1.37 -0.07 0.37 0.00 0.00 175.52 174.61 1d5g h LEU 78 N 0.86 0.56 -0.45 2.58 3.38 -0.85 -3.37 115.31 118.02 1d5g h LEU 78 Ca 0.23 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1d5g h LEU 78 Cb -0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1d5g h LEU 78 CO -0.05 1.49 0.15 0.03 0.09 0.00 0.00 178.44 180.15 1d5g h ARG 79 N 0.10 0.70 -1.99 1.13 3.08 -0.18 -3.35 114.38 113.87 1d5g h ARG 79 Ca -0.19 -0.15 -0.33 0.00 0.07 0.00 0.00 59.98 59.38 1d5g h ARG 79 Cb 2.05 -0.10 -0.12 0.00 0.08 0.00 0.00 29.97 31.87 1d5g h ARG 79 CO 0.22 0.67 -0.02 0.09 -1.07 0.00 0.00 179.97 179.87 1d5g n ASN 80 N -4.55 5.82 0.00 7.04 3.02 -0.88 -4.22 115.26 121.49 1d5g n ASN 80 Ca 0.01 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 1d5g n ASN 80 Cb 0.18 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 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 1.71 0.00 0.00 3.41 -2.24 -1.26 -5.05 114.28 110.85 1d5g n THR 81 Ca 0.45 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 62.41 1d5g n THR 81 Cb 0.74 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 2.14 1.12 0.15 3.38 0.00 -1.26 -4.70 105.19 106.03 1d5g n GLY 82 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.28 -5.97 1.61 4.15 -1.98 -3.42 115.11 109.23 1d5g h GLN 83 Ca 0.00 0.02 -0.68 0.00 0.77 0.00 0.00 58.65 58.76 1d5g h GLN 83 Cb 0.00 0.06 -0.17 0.00 0.21 0.00 0.00 27.48 27.58 1d5g h GLN 83 CO 0.00 0.08 -0.66 0.14 -1.93 0.00 0.00 178.83 176.46 1d5g s VAL 84 N -4.43 4.02 -0.39 2.39 -7.23 -1.26 -0.09 120.40 113.42 1d5g s VAL 84 Ca -0.14 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.70 1d5g s VAL 84 Cb 0.02 -2.68 0.11 0.00 0.56 0.00 0.00 36.38 34.40 1d5g s VAL 84 CO 0.56 0.59 0.15 -0.69 -0.31 0.00 0.00 175.10 175.40 1d5g s VAL 85 N -0.71 1.70 -0.37 1.32 1.01 -0.23 -4.95 120.40 118.17 1d5g s VAL 85 Ca 0.11 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 59.78 1d5g s VAL 85 Cb -0.11 -2.23 0.13 0.00 0.00 0.00 0.00 36.38 34.17 1d5g s VAL 85 CO 0.02 -0.74 0.20 -2.28 0.00 0.00 0.00 175.10 172.30 1d5g s HIS 86 N 0.74 1.21 0.31 5.22 5.04 -1.26 -0.34 115.29 126.21 1d5g s HIS 86 Ca 0.14 -1.83 -0.00 0.00 -1.54 0.00 0.00 55.06 51.82 1d5g s HIS 86 Cb -0.21 -1.32 -0.01 0.00 0.04 0.00 0.00 32.58 31.07 1d5g s HIS 86 CO -0.09 -0.82 0.38 -0.48 -2.34 0.00 0.00 174.74 171.39 1d5g s LEU 87 N 0.99 1.18 -0.09 8.88 2.34 -0.32 -3.49 118.68 128.17 1d5g s LEU 87 Ca 0.16 -1.50 0.04 0.00 0.06 0.00 0.00 54.13 52.89 1d5g s LEU 87 Cb -0.22 1.11 -0.00 0.00 -0.56 0.00 0.00 46.19 46.51 1d5g s LEU 87 CO -0.06 -1.16 -0.23 -0.76 -1.06 0.00 0.00 176.35 173.08 1d5g s LEU 88 N -3.25 2.06 0.31 1.48 2.01 -0.94 -1.17 118.68 119.18 1d5g s LEU 88 Ca 0.34 -0.53 0.05 0.00 0.01 0.00 0.00 54.13 54.00 1d5g s LEU 88 Cb 0.01 -1.36 -0.06 0.00 0.01 0.00 0.00 46.19 44.79 1d5g s LEU 88 CO 0.20 0.17 -0.01 -0.76 1.01 0.00 0.00 176.35 176.97 1d5g s LEU 89 N 0.26 2.41 -0.00 1.79 1.02 0.27 -0.99 118.68 123.44 1d5g s LEU 89 Ca -0.16 -1.28 0.06 0.00 0.02 0.00 0.00 54.13 52.78 1d5g s LEU 89 Cb -0.17 -0.56 -0.02 0.00 0.02 0.00 0.00 46.19 45.46 1d5g s LEU 89 CO 0.08 -0.46 -0.20 -0.70 0.02 0.00 0.00 176.35 175.08 1d5g s GLU 90 N -3.79 1.58 0.40 1.70 2.12 0.39 -0.84 118.70 120.25 1d5g s GLU 90 Ca 0.33 -0.76 -0.25 0.00 0.36 0.00 0.00 54.97 54.65 1d5g s GLU 90 Cb 0.06 -1.56 -0.09 0.00 0.26 0.00 0.00 34.13 32.81 1d5g s GLU 90 CO 0.14 0.42 1.11 0.21 -0.54 0.00 0.00 175.26 176.60 1d5g s LYS 91 N -0.62 4.11 0.61 4.30 2.20 -0.07 -1.59 119.74 128.68 1d5g s LYS 91 Ca 0.08 1.69 -0.15 0.00 -0.36 0.00 0.00 55.97 57.23 1d5g s LYS 91 Cb -0.08 -2.63 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 1d5g s LYS 91 CO -0.00 -0.23 1.05 0.20 -0.36 0.00 0.00 175.35 176.01 1d5g s GLY 92 N -1.33 2.00 0.85 5.54 0.00 -1.24 -4.21 107.32 108.92 1d5g s GLY 92 Ca 0.57 0.28 -0.12 0.00 0.00 0.00 0.00 44.72 45.45 1d5g s GLY 92 CO 0.34 0.59 1.12 1.20 0.00 0.00 0.00 173.10 176.35 1d5g s GLN 93 N -4.33 1.67 0.40 2.90 -1.52 -1.26 -4.75 119.66 112.77 1d5g s GLN 93 Ca 0.61 0.41 -0.14 0.00 -1.95 0.00 0.00 55.36 54.30 1d5g s GLN 93 Cb -0.15 -1.89 -0.08 0.00 -0.22 0.00 0.00 33.01 30.67 1d5g s GLN 93 CO 0.41 -1.86 0.82 -1.54 -0.25 0.00 0.00 175.29 172.87 1d5g s SER 94 N -4.05 6.65 0.00 5.90 1.04 -1.26 -5.03 113.70 116.95 1d5g s SER 94 Ca 0.62 1.32 -0.25 0.00 0.48 0.00 0.00 55.95 58.12 1d5g s SER 94 Cb -0.14 -2.39 -0.17 0.00 0.10 0.00 0.00 66.02 63.41 1d5g s SER 94 CO 0.53 -0.38 1.26 -0.65 0.98 0.00 0.00 173.24 174.99 1d5g h PRO 95 N 1.54 -0.27 -0.01 4.02 0.11 -2.05 -3.55 132.00 131.80 1d5g h PRO 95 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1d5g h PRO 95 Cb 1.18 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1d5g h PRO 95 CO 0.64 0.06 0.00 0.25 -0.21 0.00 0.00 178.00 178.74