#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 2.44 0.33 0.54 -2.85 -1.26 -4.97 119.74 113.98 1d5g s LYS 2 Ca 0.00 0.56 0.17 0.00 -1.00 0.00 0.00 55.97 55.71 1d5g s LYS 2 Cb 0.00 -1.97 0.42 0.00 -2.06 0.00 0.00 37.83 34.22 1d5g s LYS 2 CO 0.00 -1.35 1.61 -1.00 0.10 0.00 0.00 175.35 174.71 1d5g h PRO 3 N -0.89 0.00 -2.74 1.78 0.13 -2.00 -3.19 132.00 125.09 1d5g h PRO 3 Ca -0.46 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.91 1d5g h PRO 3 Cb 1.26 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.08 1d5g h PRO 3 CO 0.61 0.44 0.48 0.41 -0.23 0.00 0.00 178.00 179.71 1d5g n GLY 4 N 0.67 5.12 3.90 1.56 0.00 -1.26 -4.96 105.19 110.22 1d5g n GLY 4 Ca 0.01 -2.69 -0.28 0.00 0.00 0.00 0.00 46.02 43.05 1d5g n GLY 4 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1d5g s ASP 5 N -1.97 5.41 0.03 1.61 -4.77 -1.21 -3.85 116.67 111.92 1d5g s ASP 5 Ca 0.33 0.85 -0.29 0.00 -3.30 0.00 0.00 52.55 50.14 1d5g s ASP 5 Cb 0.07 -1.71 -0.04 0.00 -1.09 0.00 0.00 42.92 40.15 1d5g s ASP 5 CO 0.08 -1.26 0.92 -0.63 0.70 0.00 0.00 175.17 174.98 1d5g s ILE 6 N -3.18 4.77 0.22 2.11 1.01 -1.26 -1.88 121.20 122.99 1d5g s ILE 6 Ca 0.56 1.94 0.00 0.00 0.00 0.00 0.00 60.65 63.15 1d5g s ILE 6 Cb -0.11 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 1d5g s ILE 6 CO 0.48 0.24 0.09 0.72 0.00 0.00 0.00 174.94 176.47 1d5g s PHE 7 N 0.57 1.30 -0.04 3.97 -0.71 0.19 -4.97 117.98 118.30 1d5g s PHE 7 Ca 0.47 -1.24 0.06 0.00 -1.04 0.00 0.00 56.93 55.18 1d5g s PHE 7 Cb -0.21 -0.72 -0.01 0.00 -1.21 0.00 0.00 43.02 40.87 1d5g s PHE 7 CO 0.27 -0.45 -0.22 -1.83 -1.34 0.00 0.00 175.22 171.65 1d5g s GLU 8 N -4.07 2.05 -0.03 1.99 -1.05 -1.26 -1.21 118.70 115.12 1d5g s GLU 8 Ca 0.35 -0.80 -0.02 0.00 -0.15 0.00 0.00 54.97 54.36 1d5g s GLU 8 Cb 0.07 -1.85 -0.04 0.00 -0.44 0.00 0.00 34.13 31.88 1d5g s GLU 8 CO 0.11 0.40 0.08 0.14 0.95 0.00 0.00 175.26 176.94 1d5g s VAL 9 N -0.29 4.80 -0.26 1.83 -7.23 -0.43 -4.98 120.40 113.84 1d5g s VAL 9 Ca 0.02 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 1d5g s VAL 9 Cb -0.11 -3.15 0.07 0.00 0.56 0.00 0.00 36.38 33.75 1d5g s VAL 9 CO 0.01 0.43 0.01 -1.61 -0.31 0.00 0.00 175.10 173.63 1d5g s GLU 10 N -1.50 1.24 0.16 4.82 2.02 -1.26 -2.44 118.70 121.74 1d5g s GLU 10 Ca 0.20 -1.01 0.06 0.00 0.02 0.00 0.00 54.97 54.24 1d5g s GLU 10 Cb -0.12 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1d5g s GLU 10 CO 0.11 -0.73 -0.12 -0.51 0.02 0.00 0.00 175.26 174.03 1d5g s LEU 11 N 1.47 2.53 0.19 1.80 1.43 -0.63 -5.04 118.68 120.41 1d5g s LEU 11 Ca 0.00 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.14 1d5g s LEU 11 Cb -0.18 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.51 1d5g s LEU 11 CO -0.11 -0.26 -0.01 0.00 0.23 0.00 0.00 176.35 176.21 1d5g s ALA 12 N -3.07 1.48 -0.27 4.21 0.00 -1.26 -0.99 121.76 121.85 1d5g s ALA 12 Ca 0.18 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 1d5g s ALA 12 Cb 0.01 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1d5g s ALA 12 CO 0.03 -0.29 1.50 0.21 0.00 0.00 0.00 175.76 177.21 1d5g s LYS 13 N -3.89 3.79 0.00 0.00 2.20 -0.44 -4.84 119.74 116.57 1d5g s LYS 13 Ca 0.25 1.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.29 1d5g s LYS 13 Cb 0.06 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1d5g s LYS 13 CO 0.05 -1.29 0.00 0.27 -0.36 0.00 0.00 175.35 174.02 1d5g n ASN 14 N 8.30 0.00 0.00 1.43 0.23 -1.26 -4.95 115.26 119.02 1d5g n ASN 14 Ca 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 1d5g n ASN 14 Cb 0.46 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 1d5g n ASN 14 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1d5g n ASP 15 N -2.41 0.00 -4.04 0.53 8.00 -1.26 -5.07 116.55 112.31 1d5g n ASP 15 Ca 0.00 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 1d5g n ASP 15 Cb 0.00 -0.27 -0.12 0.00 -0.02 0.00 0.00 41.12 40.72 1d5g n ASP 15 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1d5g s ASN 16 N -2.26 0.75 -0.07 -2.24 2.47 -1.26 -5.11 114.94 107.22 1d5g s ASN 16 Ca 0.00 -0.49 -0.01 0.00 0.42 0.00 0.00 52.86 52.79 1d5g s ASN 16 Cb 0.00 0.03 -0.00 0.00 -1.45 0.00 0.00 41.25 39.83 1d5g s ASN 16 CO 0.00 -0.18 -0.01 0.28 -3.72 0.00 0.00 177.10 173.47 1d5g h SER 17 N 4.70 0.00 0.00 -4.21 0.02 -1.96 -3.39 113.55 108.72 1d5g h SER 17 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1d5g h SER 17 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1d5g h SER 17 CO 0.42 0.37 0.00 0.18 -1.14 0.00 0.00 176.83 176.66 1d5g n LEU 18 N -3.99 0.00 -0.11 5.07 4.32 -1.26 -4.84 117.00 116.18 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 0.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1d5g n LEU 18 CO 0.01 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.79 1d5g n GLY 19 N 2.94 0.71 3.34 -0.72 0.00 -1.26 -3.20 105.19 106.99 1d5g n GLY 19 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.65 0.47 0.05 -0.61 2.07 -1.26 -3.51 121.20 116.76 1d5g s ILE 20 Ca 0.00 -2.00 0.09 0.00 -1.41 0.00 0.00 60.65 57.33 1d5g s ILE 20 Cb 0.00 -2.57 -0.03 0.00 0.13 0.00 0.00 42.46 39.99 1d5g s ILE 20 CO 0.00 0.00 -0.25 -0.94 -1.91 0.00 0.00 174.94 171.84 1d5g s SER 21 N -3.36 3.01 0.17 4.50 1.04 -0.36 -4.85 113.70 113.85 1d5g s SER 21 Ca 0.36 -0.59 0.10 0.00 0.48 0.00 0.00 55.95 56.30 1d5g s SER 21 Cb 0.06 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1d5g s SER 21 CO 0.15 0.23 -0.21 -0.69 0.98 0.00 0.00 173.24 173.70 1d5g s VAL 22 N -0.83 2.02 0.08 5.02 1.01 -1.26 -0.57 120.40 125.87 1d5g s VAL 22 Ca 0.11 -1.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.16 1d5g s VAL 22 Cb -0.10 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1d5g s VAL 22 CO 0.02 -0.21 -0.02 0.28 0.00 0.00 0.00 175.10 175.18 1d5g s THR 23 N -1.81 0.30 0.00 3.92 -1.32 -0.81 -4.65 115.64 111.27 1d5g s THR 23 Ca 0.17 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 1d5g s THR 23 Cb -0.07 -1.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.23 1d5g s THR 23 CO 0.08 -0.84 0.00 0.61 -2.21 0.00 0.00 174.62 172.26 1d5g n GLY 24 N 0.02 1.24 2.19 6.08 0.00 -1.26 -3.57 105.19 109.89 1d5g n GLY 24 Ca -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.86 3.77 -0.02 0.00 -1.26 -4.83 105.19 103.71 1d5g n GLY 25 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1d5g n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5g s VAL 26 N -3.38 2.57 -0.40 1.61 1.01 -1.26 -1.98 120.40 118.57 1d5g s VAL 26 Ca 0.00 0.19 0.25 0.00 0.00 0.00 0.00 61.98 62.41 1d5g s VAL 26 Cb 0.00 -2.87 0.27 0.00 0.00 0.00 0.00 36.38 33.78 1d5g s VAL 26 CO 0.00 -0.24 1.75 -0.55 0.00 0.00 0.00 175.10 176.06 1d5g h ASN 27 N -1.37 0.00 -3.25 3.32 7.08 -1.90 -3.16 115.58 116.31 1d5g h ASN 27 Ca -0.49 0.00 -0.46 0.00 -3.08 0.00 0.00 56.30 52.27 1d5g h ASN 27 Cb 1.30 0.00 -0.38 0.00 -2.08 0.00 0.00 38.32 37.15 1d5g h ASN 27 CO 0.59 0.00 -0.77 0.28 -2.08 0.00 0.00 177.43 175.45 1d5g s THR 28 N -3.37 0.44 0.00 6.14 -1.32 -1.26 -4.10 115.64 112.17 1d5g s THR 28 Ca 0.04 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1d5g s THR 28 Cb 0.09 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 1d5g s THR 28 CO 0.41 0.17 0.00 -1.54 -2.21 0.00 0.00 174.62 171.45 1d5g n SER 29 N 5.12 0.00 -0.10 8.08 3.41 -1.19 -5.00 113.62 123.94 1d5g n SER 29 Ca -0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.34 1d5g n SER 29 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1d5g n SER 29 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1d5g h VAL 30 N 0.00 0.83 -1.68 -3.33 3.04 -1.84 -3.49 116.25 109.79 1d5g h VAL 30 Ca 0.00 -2.05 0.00 0.00 -1.01 0.00 0.00 66.70 63.64 1d5g h VAL 30 Cb 0.00 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1d5g h VAL 30 CO 0.00 0.28 0.00 0.54 -1.01 0.00 0.00 177.57 177.38 1d5g n ARG 31 N -4.46 1.93 -1.11 4.17 5.12 -1.26 -4.99 116.66 116.06 1d5g n ARG 31 Ca -0.29 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.36 1d5g n ARG 31 Cb 0.63 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.86 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 1.49 0.00 -1.55 1.44 -1.26 -4.37 115.22 110.97 1d5g n HIS 32 Ca 0.00 -2.39 0.00 0.00 -2.01 0.00 0.00 57.72 53.32 1d5g n HIS 32 Cb 0.00 -2.07 0.00 0.00 0.12 0.00 0.00 29.99 28.04 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 3.26 2.99 0.00 -1.39 0.00 -1.26 -1.82 105.19 106.97 1d5g n GLY 33 Ca 0.62 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.47 2.31 3.25 -0.02 0.00 -1.26 -4.62 105.19 103.39 1d5g n GLY 34 Ca 0.00 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.23 1.55 -0.03 -0.61 -1.09 -0.93 -4.11 121.20 113.75 1d5g s ILE 35 Ca 0.00 -1.42 0.05 0.00 -2.23 0.00 0.00 60.65 57.05 1d5g s ILE 35 Cb 0.00 -1.41 -0.01 0.00 -1.58 0.00 0.00 42.46 39.46 1d5g s ILE 35 CO 0.00 -0.06 -0.18 -0.47 -1.23 0.00 0.00 174.94 173.00 1d5g s TYR 36 N -1.12 1.72 -0.00 3.97 6.14 -1.23 -1.13 117.35 125.69 1d5g s TYR 36 Ca 0.04 -0.43 -0.24 0.00 0.64 0.00 0.00 57.07 57.09 1d5g s TYR 36 Cb -0.10 -1.14 -0.05 0.00 0.42 0.00 0.00 41.96 41.10 1d5g s TYR 36 CO 0.03 -0.11 0.72 0.08 0.64 0.00 0.00 175.55 176.91 1d5g s VAL 37 N -0.15 4.88 0.00 3.14 1.01 -0.48 -1.92 120.40 126.88 1d5g s VAL 37 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1d5g s VAL 37 Cb -0.10 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1d5g s VAL 37 CO 0.01 0.33 0.00 1.17 0.00 0.00 0.00 175.10 176.61 1d5g n LYS 38 N 3.15 0.00 -3.68 2.72 4.81 0.27 -1.27 118.16 124.16 1d5g n LYS 38 Ca -0.03 0.30 -0.10 0.00 -0.87 0.00 0.00 58.31 57.62 1d5g n LYS 38 Cb 0.51 -0.80 -0.04 0.00 0.02 0.00 0.00 35.03 34.72 1d5g n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1d5g s ALA 39 N -3.01 -1.01 -0.08 3.14 0.00 -1.14 -4.15 121.76 115.50 1d5g s ALA 39 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.63 1d5g s ALA 39 Cb 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 1d5g s ALA 39 CO 0.00 -0.77 0.63 0.54 0.00 0.00 0.00 175.76 176.16 1d5g s VAL 40 N -3.85 5.09 -0.27 0.00 0.11 -1.26 -1.23 120.40 119.00 1d5g s VAL 40 Ca 0.07 1.29 -0.25 0.00 -2.93 0.00 0.00 61.98 60.16 1d5g s VAL 40 Cb -0.00 -3.97 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1d5g s VAL 40 CO -0.06 0.28 0.86 -0.63 -3.33 0.00 0.00 175.10 172.22 1d5g s ILE 41 N 0.73 4.78 -0.17 7.04 -1.09 -1.23 -4.93 121.20 126.32 1d5g s ILE 41 Ca 0.34 1.52 -0.03 0.00 -2.23 0.00 0.00 60.65 60.25 1d5g s ILE 41 Cb -0.17 -4.17 -0.02 0.00 -1.58 0.00 0.00 42.46 36.51 1d5g s ILE 41 CO 0.16 -0.18 2.68 -0.81 -1.23 0.00 0.00 174.94 175.56 1d5g n PRO 42 N 6.18 1.79 -2.04 2.79 -0.04 -1.26 -3.97 135.00 138.45 1d5g n PRO 42 Ca 0.06 -1.16 0.01 0.00 -0.04 0.00 0.00 63.50 62.37 1d5g n PRO 42 Cb 0.47 -1.69 0.03 0.00 -0.04 0.00 0.00 33.50 32.27 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 1.43 0.74 -2.32 0.54 6.02 -1.26 -5.03 117.38 117.49 1d5g n GLN 43 Ca 0.31 -2.43 0.00 0.00 -0.01 0.00 0.00 57.00 54.87 1d5g n GLN 43 Cb 0.66 -0.53 0.00 0.00 1.02 0.00 0.00 30.24 31.39 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 -0.09 0.71 0.31 1.08 0.00 -1.25 -4.99 105.19 100.96 1d5g n GLY 44 Ca 0.02 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.13 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 1.46 -0.36 4.61 0.00 -1.76 -2.27 119.26 122.94 1d5g h ALA 45 Ca -0.06 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1d5g h ALA 45 Cb 0.32 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1d5g h ALA 45 CO 0.09 0.43 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 1d5g h ALA 46 N 1.55 0.31 0.25 0.00 0.00 -1.76 0.15 119.26 119.75 1d5g h ALA 46 Ca 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1d5g h ALA 46 Cb 0.07 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1d5g h ALA 46 CO -0.03 -0.41 -0.12 1.49 0.00 0.00 0.00 179.25 180.18 1d5g h GLU 47 N 0.08 -0.32 0.00 0.00 4.57 -1.72 -0.78 114.58 116.41 1d5g h GLU 47 Ca 0.18 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.32 1d5g h GLU 47 Cb 0.25 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1d5g h GLU 47 CO -0.31 -0.01 -0.29 0.77 -1.18 0.00 0.00 179.01 177.99 1d5g h SER 48 N -0.64 0.00 0.00 1.04 0.02 -1.21 -2.94 113.55 109.82 1d5g h SER 48 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1d5g h SER 48 Cb 0.45 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1d5g h SER 48 CO 0.06 0.29 -0.06 -0.78 -1.14 0.00 0.00 176.83 175.20 1d5g h ASP 49 N 0.00 0.00 -2.89 3.07 3.58 -0.81 -3.51 116.42 115.86 1d5g h ASP 49 Ca -0.00 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.86 1d5g h ASP 49 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1d5g h ASP 49 CO 0.04 0.83 0.00 0.61 -2.88 0.00 0.00 179.24 177.83 1d5g n GLY 50 N 1.67 0.21 0.00 -0.78 0.00 -0.30 -5.03 105.19 100.97 1d5g n GLY 50 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.16 2.42 -4.40 1.61 0.63 -1.26 -5.06 116.66 109.45 1d5g n ARG 51 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 1d5g n ARG 51 Cb 0.48 -0.23 -0.14 0.00 0.45 0.00 0.00 32.46 33.03 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 -0.11 1.10 0.39 5.15 1.09 -1.26 -5.07 121.20 122.48 1d5g s ILE 52 Ca 0.00 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.64 1d5g s ILE 52 Cb 0.00 -0.98 -0.00 0.00 -1.06 0.00 0.00 42.46 40.42 1d5g s ILE 52 CO 0.00 0.06 0.01 0.00 -0.10 0.00 0.00 174.94 174.91 1d5g n HIS 53 N 2.06 0.84 -1.72 3.97 1.44 -1.26 -4.98 115.22 115.57 1d5g n HIS 53 Ca -0.17 -2.00 -0.43 0.00 -2.01 0.00 0.00 57.72 53.11 1d5g n HIS 53 Cb 0.55 -0.24 -0.02 0.00 0.12 0.00 0.00 29.99 30.40 1d5g n HIS 53 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1d5g n LYS 54 N -0.97 2.57 -1.02 -1.40 2.85 -1.26 -3.25 118.16 115.68 1d5g n LYS 54 Ca -0.15 0.92 -0.01 0.00 -1.05 0.00 0.00 58.31 58.02 1d5g n LYS 54 Cb 0.51 -2.71 -0.00 0.00 -0.65 0.00 0.00 35.03 32.18 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 2.88 0.48 3.81 2.58 0.00 -0.39 -4.90 105.19 109.64 1d5g n GLY 55 Ca 0.12 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.25 5.06 -0.28 1.61 1.01 -1.20 -4.04 116.67 116.58 1d5g s ASP 56 Ca 0.00 1.60 0.02 0.00 0.71 0.00 0.00 52.55 54.88 1d5g s ASP 56 Cb 0.00 -2.42 0.07 0.00 1.01 0.00 0.00 42.92 41.58 1d5g s ASP 56 CO 0.00 -1.64 -0.03 -0.60 0.21 0.00 0.00 175.17 173.11 1d5g s ARG 57 N -5.04 1.70 -0.22 8.23 3.52 -0.63 -1.38 118.95 125.14 1d5g s ARG 57 Ca 0.59 -1.35 -0.09 0.00 -0.13 0.00 0.00 55.73 54.75 1d5g s ARG 57 Cb -0.15 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 1d5g s ARG 57 CO 0.55 -0.71 0.11 0.14 -0.81 0.00 0.00 175.30 174.57 1d5g s VAL 58 N 1.19 4.97 0.00 7.11 -7.23 -0.28 -0.64 120.40 125.52 1d5g s VAL 58 Ca -0.01 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1d5g s VAL 58 Cb -0.19 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.46 1d5g s VAL 58 CO -0.08 0.39 0.00 0.18 -0.31 0.00 0.00 175.10 175.28 1d5g n LEU 59 N 4.06 0.00 -4.76 1.32 4.77 -0.13 -2.20 117.00 120.06 1d5g n LEU 59 Ca -0.16 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.44 1d5g n LEU 59 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1d5g n LEU 59 CO 0.35 0.00 0.26 0.00 -1.33 0.00 0.00 177.39 176.67 1d5g s ALA 60 N -2.00 3.50 -0.49 -1.18 0.00 -0.97 -4.76 121.76 115.86 1d5g s ALA 60 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 1d5g s ALA 60 Cb 0.00 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.48 1d5g s ALA 60 CO 0.00 0.17 0.49 0.08 0.00 0.00 0.00 175.76 176.50 1d5g s VAL 61 N -0.15 5.08 -1.41 0.00 1.01 -0.50 -1.10 120.40 123.34 1d5g s VAL 61 Ca 0.30 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1d5g s VAL 61 Cb -0.18 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1d5g s VAL 61 CO 0.16 -0.68 0.98 -3.20 0.00 0.00 0.00 175.10 172.37 1d5g n ASN 62 N 5.61 -4.22 0.00 3.32 4.05 0.45 -1.73 115.26 122.75 1d5g n ASN 62 Ca -0.10 -0.71 0.00 0.00 0.45 0.00 0.00 54.58 54.22 1d5g n ASN 62 Cb 0.44 -4.36 0.00 0.00 1.23 0.00 0.00 39.78 37.09 1d5g n ASN 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1d5g n GLY 63 N -1.70 3.07 3.56 8.20 0.00 -1.26 -5.03 105.19 112.03 1d5g n GLY 63 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.96 4.39 -0.76 1.61 1.01 -0.70 -4.93 120.40 118.05 1d5g s VAL 64 Ca 0.00 0.76 -0.26 0.00 0.00 0.00 0.00 61.98 62.47 1d5g s VAL 64 Cb 0.00 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.91 1d5g s VAL 64 CO 0.00 -0.94 1.39 -0.44 0.00 0.00 0.00 175.10 175.11 1d5g s SER 65 N 2.43 6.07 -1.07 3.32 0.01 -1.26 -1.40 113.70 121.79 1d5g s SER 65 Ca 0.38 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 57.11 1d5g s SER 65 Cb -0.10 -2.56 0.29 0.00 0.21 0.00 0.00 66.02 63.86 1d5g s SER 65 CO 0.26 -1.89 1.25 -0.11 0.41 0.00 0.00 173.24 173.16 1d5g n LEU 66 N 9.84 5.79 -4.77 2.44 -0.00 -1.26 -5.03 117.00 124.02 1d5g n LEU 66 Ca 0.09 -5.14 -0.39 0.00 -0.00 0.00 0.00 56.01 50.58 1d5g n LEU 66 Cb 0.50 -1.33 -0.01 0.00 -0.00 0.00 0.00 43.42 42.57 1d5g n LEU 66 CO 0.70 1.54 0.89 -1.83 -0.00 0.00 0.00 177.39 178.69 1d5g s GLU 67 N -2.02 3.99 0.00 1.96 -1.05 -1.26 -3.28 118.70 117.03 1d5g s GLU 67 Ca 0.31 1.96 0.00 0.00 -0.15 0.00 0.00 54.97 57.10 1d5g s GLU 67 Cb -0.02 -2.69 0.00 0.00 -0.44 0.00 0.00 34.13 30.98 1d5g s GLU 67 CO 0.00 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.21 1d5g n GLY 68 N 0.65 0.76 3.79 -3.83 0.00 -0.75 -5.06 105.19 100.76 1d5g n GLY 68 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.23 3.07 0.57 4.61 0.00 -1.21 -4.96 121.76 121.60 1d5g s ALA 69 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.58 1d5g s ALA 69 Cb 0.00 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.93 1d5g s ALA 69 CO 0.00 -0.11 0.79 0.95 0.00 0.00 0.00 175.76 177.40 1d5g s THR 70 N -1.79 2.62 0.21 0.00 -4.23 -1.26 -4.10 115.64 107.09 1d5g s THR 70 Ca 0.59 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 60.35 1d5g s THR 70 Cb -0.18 -2.96 0.17 0.00 1.34 0.00 0.00 72.50 70.86 1d5g s THR 70 CO 0.23 0.00 1.86 -0.74 -0.54 0.00 0.00 174.62 175.43 1d5g h HIS 71 N 0.02 1.05 -0.49 3.99 2.76 -1.72 -1.27 115.15 119.50 1d5g h HIS 71 Ca -0.42 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 57.85 1d5g h HIS 71 Cb 1.30 -0.35 -0.10 0.00 1.55 0.00 0.00 27.41 29.81 1d5g h HIS 71 CO 0.33 0.70 -0.19 -0.22 -1.30 0.00 0.00 177.93 177.25 1d5g h LYS 72 N 1.09 -0.08 -0.20 5.26 1.63 -1.95 0.81 116.57 123.13 1d5g h LYS 72 Ca 0.29 0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.94 1d5g h LYS 72 Cb -0.05 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1d5g h LYS 72 CO -0.05 -0.05 -0.51 1.96 -3.45 0.00 0.00 179.45 177.34 1d5g h GLN 73 N -0.08 0.56 -0.73 1.90 1.08 -1.87 -0.59 115.11 115.38 1d5g h GLN 73 Ca 0.23 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1d5g h GLN 73 Cb 0.44 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 1d5g h GLN 73 CO -0.54 0.94 0.41 0.00 -0.95 0.00 0.00 178.83 178.69 1d5g h ALA 74 N 1.00 0.93 -0.33 3.87 0.00 -0.99 -0.71 119.26 123.04 1d5g h ALA 74 Ca 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1d5g h ALA 74 Cb 1.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1d5g h ALA 74 CO 0.10 0.43 -0.10 0.28 0.00 0.00 0.00 179.25 179.96 1d5g h VAL 75 N 1.00 1.28 0.00 0.00 2.07 -0.62 -2.47 116.25 117.52 1d5g h VAL 75 Ca 0.26 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1d5g h VAL 75 Cb 0.02 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1d5g h VAL 75 CO -0.04 0.38 0.00 1.21 0.02 0.00 0.00 177.57 179.14 1d5g n GLU 76 N -4.42 0.14 0.16 1.57 2.13 -0.25 -1.71 120.64 118.25 1d5g n GLU 76 Ca -0.02 0.27 -0.10 0.00 0.66 0.00 0.00 57.16 57.96 1d5g n GLU 76 Cb 0.35 -1.72 -0.06 0.00 0.27 0.00 0.00 31.44 30.28 1d5g n GLU 76 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1d5g h THR 77 N 0.00 0.34 0.00 6.31 2.02 -0.69 -3.06 112.91 117.83 1d5g h THR 77 Ca 0.00 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1d5g h THR 77 Cb 0.45 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1d5g h THR 77 CO 0.00 0.08 -0.12 -0.07 0.37 0.00 0.00 175.52 175.78 1d5g h LEU 78 N -1.02 0.00 -1.00 2.58 3.38 -1.43 -2.47 115.31 115.35 1d5g h LEU 78 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1d5g h LEU 78 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1d5g h LEU 78 CO 0.08 0.05 -0.20 0.03 0.09 0.00 0.00 178.44 178.48 1d5g h ARG 79 N 0.00 0.00 -2.17 1.13 3.08 -1.49 -3.24 114.38 111.69 1d5g h ARG 79 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1d5g h ARG 79 Cb 1.04 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.92 1d5g h ARG 79 CO 0.01 0.20 0.94 -1.71 -1.07 0.00 0.00 179.97 178.34 1d5g n ASN 80 N -3.32 6.91 0.00 7.04 5.15 -0.93 -4.58 115.26 125.53 1d5g n ASN 80 Ca 0.01 -3.19 0.00 0.00 -0.60 0.00 0.00 54.58 50.79 1d5g n ASN 80 Cb 0.44 -1.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 1d5g n ASN 80 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1d5g n THR 81 N 1.10 0.00 0.00 -0.44 -2.24 -1.22 -4.97 114.28 106.50 1d5g n THR 81 Ca 0.53 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 1d5g n THR 81 Cb 0.47 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 4.13 2.71 0.00 3.38 0.00 -1.26 -4.78 105.19 109.36 1d5g n GLY 82 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1d5g n GLY 82 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1d5g n GLN 83 N 0.00 0.00 -4.58 1.61 7.27 -1.26 -4.62 117.38 115.80 1d5g n GLN 83 Ca 0.00 0.11 -0.23 0.00 0.07 0.00 0.00 57.00 56.95 1d5g n GLN 83 Cb 0.00 -0.52 -0.14 0.00 2.41 0.00 0.00 30.24 31.98 1d5g n GLN 83 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1d5g s VAL 84 N -0.28 1.30 -0.08 1.69 0.11 -1.26 -1.32 120.40 120.56 1d5g s VAL 84 Ca 0.00 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1d5g s VAL 84 Cb 0.00 -1.13 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1d5g s VAL 84 CO 0.00 0.19 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.13 1d5g s VAL 85 N -0.64 1.37 -0.13 2.04 1.01 -0.16 -4.96 120.40 118.93 1d5g s VAL 85 Ca 0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1d5g s VAL 85 Cb -0.07 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.13 1d5g s VAL 85 CO 0.01 0.41 0.16 -2.28 0.00 0.00 0.00 175.10 173.39 1d5g s HIS 86 N 0.68 -0.12 0.12 5.22 5.04 -1.26 -1.61 115.29 123.37 1d5g s HIS 86 Ca -0.14 0.30 0.07 0.00 -1.54 0.00 0.00 55.06 53.75 1d5g s HIS 86 Cb -0.16 -0.39 -0.04 0.00 0.04 0.00 0.00 32.58 32.04 1d5g s HIS 86 CO 0.04 -0.41 -0.16 -0.51 -2.34 0.00 0.00 174.74 171.36 1d5g s LEU 87 N 2.27 2.39 -0.09 8.88 1.43 -1.02 -0.41 118.68 132.12 1d5g s LEU 87 Ca 0.04 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1d5g s LEU 87 Cb -0.14 -0.64 -0.00 0.00 0.03 0.00 0.00 46.19 45.44 1d5g s LEU 87 CO -0.08 -0.09 -0.24 -0.76 0.23 0.00 0.00 176.35 175.41 1d5g s LEU 88 N -2.36 2.11 0.01 1.79 2.01 -0.26 -1.31 118.68 120.67 1d5g s LEU 88 Ca 0.09 -0.54 -0.10 0.00 0.01 0.00 0.00 54.13 53.58 1d5g s LEU 88 Cb -0.06 -1.41 0.01 0.00 0.01 0.00 0.00 46.19 44.74 1d5g s LEU 88 CO 0.04 0.17 0.20 -1.48 1.01 0.00 0.00 176.35 176.29 1d5g s LEU 89 N 0.25 1.31 -0.15 1.79 2.34 -0.35 -0.96 118.68 122.92 1d5g s LEU 89 Ca -0.16 -0.18 -0.06 0.00 0.06 0.00 0.00 54.13 53.78 1d5g s LEU 89 Cb -0.17 0.92 -0.04 0.00 -0.56 0.00 0.00 46.19 46.34 1d5g s LEU 89 CO 0.08 -0.45 0.07 -0.70 -1.06 0.00 0.00 176.35 174.28 1d5g s GLU 90 N -1.76 3.62 0.22 1.48 2.12 0.19 -0.64 118.70 123.95 1d5g s GLU 90 Ca -0.11 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.61 1d5g s GLU 90 Cb -0.05 -3.11 -0.08 0.00 0.26 0.00 0.00 34.13 31.15 1d5g s GLU 90 CO 0.01 0.49 1.10 0.21 -0.54 0.00 0.00 175.26 176.53 1d5g s LYS 91 N -0.25 4.62 0.47 4.30 2.20 -0.79 -1.60 119.74 128.70 1d5g s LYS 91 Ca 0.08 1.76 -0.07 0.00 -0.36 0.00 0.00 55.97 57.38 1d5g s LYS 91 Cb -0.12 -3.24 0.11 0.00 -1.51 0.00 0.00 37.83 33.07 1d5g s LYS 91 CO 0.01 0.14 0.64 0.41 -0.36 0.00 0.00 175.35 176.20 1d5g n GLY 92 N 1.68 -1.00 3.87 5.54 0.00 -1.26 -4.47 105.19 109.56 1d5g n GLY 92 Ca 0.01 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.35 3.62 0.21 1.61 -0.21 -1.26 -4.80 119.66 114.48 1d5g s GLN 93 Ca 0.37 0.75 -0.30 0.00 0.02 0.00 0.00 55.36 56.20 1d5g s GLN 93 Cb -0.01 -2.09 -0.09 0.00 1.00 0.00 0.00 33.01 31.81 1d5g s GLN 93 CO 0.26 -0.54 1.36 0.45 -2.12 0.00 0.00 175.29 174.70 1d5g s SER 94 N -4.10 6.81 0.89 5.90 0.15 -1.26 -4.99 113.70 117.11 1d5g s SER 94 Ca 0.55 2.49 -0.12 0.00 0.70 0.00 0.00 55.95 59.57 1d5g s SER 94 Cb -0.11 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 61.72 1d5g s SER 94 CO 0.52 -0.60 1.11 -2.16 1.20 0.00 0.00 173.24 173.31 1d5g s PRO 95 N -0.09 1.28 0.00 5.44 0.04 -1.26 -5.21 135.00 135.19 1d5g s PRO 95 Ca 0.58 0.56 0.26 0.00 0.04 0.00 0.00 61.00 62.44 1d5g s PRO 95 Cb -0.38 -1.83 0.65 0.00 0.04 0.00 0.00 34.50 32.98 1d5g s PRO 95 CO 0.39 -2.16 1.52 0.25 0.04 0.00 0.00 177.00 177.04