#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 2.52 0.46 -0.52 -2.85 -1.26 -4.97 119.74 113.13 1d5g s LYS 2 Ca 0.00 0.50 0.28 0.00 -1.00 0.00 0.00 55.97 55.75 1d5g s LYS 2 Cb 0.00 -1.98 0.87 0.00 -2.06 0.00 0.00 37.83 34.66 1d5g s LYS 2 CO 0.00 -1.28 1.80 -1.00 0.10 0.00 0.00 175.35 174.96 1d5g h PRO 3 N -0.84 0.00 -3.66 1.78 0.13 -1.97 -3.19 132.00 124.25 1d5g h PRO 3 Ca -0.46 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.93 1d5g h PRO 3 Cb 1.26 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.09 1d5g h PRO 3 CO 0.62 0.00 -0.07 0.20 -0.23 0.00 0.00 178.00 178.53 1d5g s GLY 4 N -4.11 2.69 0.41 1.56 0.00 -1.26 -4.91 107.32 101.70 1d5g s GLY 4 Ca 0.04 -3.40 -0.24 0.00 0.00 0.00 0.00 44.72 41.13 1d5g s GLY 4 CO 0.59 1.20 1.07 0.51 0.00 0.00 0.00 173.10 176.47 1d5g s ASP 5 N 1.30 6.66 0.03 1.64 -4.77 -1.21 -4.35 116.67 115.97 1d5g s ASP 5 Ca 0.20 2.09 -0.19 0.00 -3.30 0.00 0.00 52.55 51.34 1d5g s ASP 5 Cb -0.14 -2.59 -0.06 0.00 -1.09 0.00 0.00 42.92 39.04 1d5g s ASP 5 CO -0.07 -0.57 0.57 -0.63 0.70 0.00 0.00 175.17 175.17 1d5g s ILE 6 N -1.63 4.84 0.10 2.11 1.01 -1.26 -0.92 121.20 125.45 1d5g s ILE 6 Ca 0.59 1.20 -0.08 0.00 0.00 0.00 0.00 60.65 62.35 1d5g s ILE 6 Cb -0.23 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1d5g s ILE 6 CO 0.29 0.49 0.20 0.72 0.00 0.00 0.00 174.94 176.64 1d5g s PHE 7 N -0.68 0.24 -0.03 3.97 -0.71 0.15 -5.00 117.98 115.93 1d5g s PHE 7 Ca 0.29 -0.66 0.05 0.00 -1.04 0.00 0.00 56.93 55.57 1d5g s PHE 7 Cb -0.19 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 1d5g s PHE 7 CO 0.18 -0.57 -0.17 -1.83 -1.34 0.00 0.00 175.22 171.48 1d5g s GLU 8 N -3.89 2.35 0.03 1.99 -1.05 -1.26 -0.91 118.70 115.96 1d5g s GLU 8 Ca 0.08 -0.79 0.01 0.00 -0.15 0.00 0.00 54.97 54.12 1d5g s GLU 8 Cb 0.05 -2.28 -0.04 0.00 -0.44 0.00 0.00 34.13 31.42 1d5g s GLU 8 CO -0.08 0.60 0.09 0.14 0.95 0.00 0.00 175.26 176.95 1d5g s VAL 9 N -0.75 4.71 -0.19 1.83 -7.23 -0.41 -5.00 120.40 113.37 1d5g s VAL 9 Ca 0.12 -0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1d5g s VAL 9 Cb -0.10 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 1d5g s VAL 9 CO 0.01 0.25 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.36 1d5g s GLU 10 N -2.03 3.33 0.12 4.82 8.01 -1.26 -2.87 118.70 128.82 1d5g s GLU 10 Ca 0.26 -0.67 0.04 0.00 0.01 0.00 0.00 54.97 54.61 1d5g s GLU 10 Cb -0.12 -2.83 -0.04 0.00 -4.31 0.00 0.00 34.13 26.83 1d5g s GLU 10 CO 0.18 -0.06 -0.10 -0.51 0.01 0.00 0.00 175.26 174.78 1d5g s LEU 11 N 1.07 2.47 -0.06 1.80 1.43 -0.22 -5.02 118.68 120.15 1d5g s LEU 11 Ca 0.00 -0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 52.12 1d5g s LEU 11 Cb -0.15 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 45.80 1d5g s LEU 11 CO -0.02 -0.32 0.17 0.00 0.23 0.00 0.00 176.35 176.41 1d5g s ALA 12 N -2.97 -0.41 -0.72 4.21 0.00 -1.26 -0.81 121.76 119.79 1d5g s ALA 12 Ca 0.11 0.50 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 1d5g s ALA 12 Cb 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1d5g s ALA 12 CO -0.00 -0.09 1.86 0.21 0.00 0.00 0.00 175.76 177.74 1d5g s LYS 13 N 0.17 2.65 -0.05 0.00 2.20 -0.70 -4.74 119.74 119.26 1d5g s LYS 13 Ca -0.01 0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.82 1d5g s LYS 13 Cb -0.02 -4.61 -0.01 0.00 -1.51 0.00 0.00 37.83 31.68 1d5g s LYS 13 CO -0.00 -2.90 -0.08 0.27 -0.36 0.00 0.00 175.35 172.28 1d5g n ASN 14 N 12.92 0.67 0.00 1.43 0.23 -1.26 -4.87 115.26 124.38 1d5g n ASN 14 Ca 0.26 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 1d5g n ASN 14 Cb 0.50 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 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 -3.13 0.00 -4.23 0.53 8.00 -1.26 -5.07 116.55 111.38 1d5g n ASP 15 Ca -0.03 0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.58 1d5g n ASP 15 Cb 0.12 -0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 40.68 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 -3.10 0.88 0.00 -2.24 3.84 -1.26 -5.10 114.94 107.96 1d5g s ASN 16 Ca 0.00 -1.25 0.00 0.00 0.21 0.00 0.00 52.86 51.82 1d5g s ASN 16 Cb 0.00 0.20 0.00 0.00 -0.55 0.00 0.00 41.25 40.90 1d5g s ASN 16 CO 0.00 -0.67 0.00 -1.20 -2.79 0.00 0.00 177.10 172.44 1d5g n SER 17 N -0.26 0.00 0.00 -4.21 7.64 -1.26 -4.59 113.62 110.94 1d5g n SER 17 Ca -0.04 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1d5g n SER 17 Cb 0.64 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1d5g n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1d5g n LEU 18 N -1.91 0.00 0.00 -3.43 4.32 -1.26 -4.82 117.00 109.90 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 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 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 2.82 1.07 3.32 -0.72 0.00 -1.26 -3.36 105.19 107.05 1d5g n GLY 19 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 0.63 0.07 -0.61 2.07 -1.26 -3.26 121.20 116.84 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 -2.62 -0.03 0.00 0.13 0.00 0.00 42.46 39.94 1d5g s ILE 20 CO 0.00 -0.03 -0.24 -0.94 -1.91 0.00 0.00 174.94 171.82 1d5g s SER 21 N -3.32 2.85 0.10 4.50 1.04 -0.30 -4.87 113.70 113.70 1d5g s SER 21 Ca 0.37 -0.61 0.08 0.00 0.48 0.00 0.00 55.95 56.27 1d5g s SER 21 Cb 0.08 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 1d5g s SER 21 CO 0.13 0.18 -0.21 -0.69 0.98 0.00 0.00 173.24 173.63 1d5g s VAL 22 N -0.91 1.68 0.01 5.02 1.01 -1.26 -0.20 120.40 125.75 1d5g s VAL 22 Ca 0.10 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 60.57 1d5g s VAL 22 Cb -0.10 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1d5g s VAL 22 CO 0.03 -0.06 -0.05 0.28 0.00 0.00 0.00 175.10 175.30 1d5g s THR 23 N -1.15 0.41 0.00 3.92 -1.32 -0.40 -4.69 115.64 112.40 1d5g s THR 23 Ca 0.06 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1d5g s THR 23 Cb -0.10 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1d5g s THR 23 CO 0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1d5g n GLY 24 N 2.65 0.38 1.82 6.08 0.00 -1.26 -3.33 105.19 111.52 1d5g n GLY 24 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.44 3.94 -0.02 0.00 -1.20 -4.80 105.19 103.56 1d5g n GLY 25 Ca 0.00 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 2.96 0.33 1.61 1.01 -1.26 -0.26 120.40 122.78 1d5g s VAL 26 Ca 0.00 -0.37 0.20 0.00 0.00 0.00 0.00 61.98 61.81 1d5g s VAL 26 Cb 0.00 -3.17 0.19 0.00 0.00 0.00 0.00 36.38 33.40 1d5g s VAL 26 CO 0.00 -0.15 1.90 -0.55 0.00 0.00 0.00 175.10 176.30 1d5g h ASN 27 N -0.14 0.00 -3.38 3.32 7.08 -1.91 -3.07 115.58 117.48 1d5g h ASN 27 Ca -0.44 0.00 -0.50 0.00 -3.08 0.00 0.00 56.30 52.28 1d5g h ASN 27 Cb 1.29 0.00 -0.34 0.00 -2.08 0.00 0.00 38.32 37.19 1d5g h ASN 27 CO 0.57 0.26 -0.81 0.28 -2.08 0.00 0.00 177.43 175.66 1d5g s THR 28 N -4.04 1.02 0.00 6.14 -1.32 -1.26 -2.57 115.64 113.62 1d5g s THR 28 Ca -0.02 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1d5g s THR 28 Cb 0.13 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 1d5g s THR 28 CO 0.66 0.34 0.00 -1.54 -2.21 0.00 0.00 174.62 171.87 1d5g n SER 29 N 4.05 0.00 -0.01 8.08 3.41 -1.23 -4.91 113.62 123.00 1d5g n SER 29 Ca -0.21 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.23 1d5g n SER 29 Cb 0.51 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.60 -0.72 -3.33 3.04 -1.83 -3.48 116.25 111.54 1d5g h VAL 30 Ca 0.00 -2.24 0.00 0.00 -1.01 0.00 0.00 66.70 63.45 1d5g h VAL 30 Cb 0.00 3.07 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 1d5g h VAL 30 CO 0.00 0.61 0.00 0.54 -1.01 0.00 0.00 177.57 177.71 1d5g n ARG 31 N -4.41 1.21 -2.39 4.17 5.12 -1.26 -5.04 116.66 114.06 1d5g n ARG 31 Ca -0.11 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.45 1d5g n ARG 31 Cb 0.60 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.86 1d5g n ARG 31 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1d5g s HIS 32 N 0.76 2.29 0.00 -1.55 -3.43 -1.26 -4.29 115.29 107.82 1d5g s HIS 32 Ca 0.00 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 1d5g s HIS 32 Cb 0.00 -4.48 0.00 0.00 -1.43 0.00 0.00 32.58 26.67 1d5g s HIS 32 CO 0.00 -1.87 0.00 0.41 -2.00 0.00 0.00 174.74 171.28 1d5g n GLY 33 N 6.86 -0.88 0.00 -1.38 0.00 -1.06 -3.41 105.19 105.31 1d5g n GLY 33 Ca 0.36 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 1.08 3.14 -0.02 0.00 -1.26 -4.00 105.19 104.14 1d5g n GLY 34 Ca 0.00 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.87 1.54 0.00 -0.61 -1.09 -1.26 -3.22 121.20 115.69 1d5g s ILE 35 Ca 0.00 -0.76 0.06 0.00 -2.23 0.00 0.00 60.65 57.72 1d5g s ILE 35 Cb 0.00 -1.34 -0.02 0.00 -1.58 0.00 0.00 42.46 39.53 1d5g s ILE 35 CO 0.00 0.44 -0.18 -0.47 -1.23 0.00 0.00 174.94 173.50 1d5g s TYR 36 N 0.15 1.64 0.01 3.97 5.04 -1.21 -2.58 117.35 124.38 1d5g s TYR 36 Ca -0.08 -0.33 -0.30 0.00 -2.44 0.00 0.00 57.07 53.93 1d5g s TYR 36 Cb -0.13 -1.04 -0.03 0.00 0.35 0.00 0.00 41.96 41.11 1d5g s TYR 36 CO 0.04 0.00 0.98 0.08 -1.34 0.00 0.00 175.55 175.30 1d5g s VAL 37 N -0.53 4.83 -0.14 3.14 1.01 -0.39 -1.28 120.40 127.03 1d5g s VAL 37 Ca 0.07 2.06 -0.11 0.00 0.00 0.00 0.00 61.98 64.00 1d5g s VAL 37 Cb -0.07 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 1d5g s VAL 37 CO -0.00 0.18 0.02 0.50 0.00 0.00 0.00 175.10 175.79 1d5g h LYS 38 N 6.66 0.00 -2.72 2.72 3.64 -0.86 -0.13 116.57 125.88 1d5g h LYS 38 Ca -0.41 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1d5g h LYS 38 Cb 1.22 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.89 1d5g h LYS 38 CO 0.75 0.27 0.11 0.00 -2.27 0.00 0.00 179.45 178.30 1d5g s ALA 39 N -2.58 -1.46 -0.13 5.00 0.00 -1.19 -4.41 121.76 116.99 1d5g s ALA 39 Ca -0.14 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 1d5g s ALA 39 Cb 0.02 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 1d5g s ALA 39 CO 0.27 -0.56 0.35 0.54 0.00 0.00 0.00 175.76 176.36 1d5g s VAL 40 N -2.64 5.25 -0.17 0.00 0.11 -1.26 -1.15 120.40 120.54 1d5g s VAL 40 Ca -0.04 0.68 -0.27 0.00 -2.93 0.00 0.00 61.98 59.42 1d5g s VAL 40 Cb -0.00 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.15 1d5g s VAL 40 CO -0.03 0.39 0.90 -0.63 -3.33 0.00 0.00 175.10 172.40 1d5g s ILE 41 N 0.34 4.83 -0.11 7.04 -1.09 -1.20 -4.94 121.20 126.07 1d5g s ILE 41 Ca 0.20 1.77 -0.01 0.00 -2.23 0.00 0.00 60.65 60.38 1d5g s ILE 41 Cb -0.14 -4.20 0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1d5g s ILE 41 CO 0.06 -0.02 2.13 -0.81 -1.23 0.00 0.00 174.94 175.08 1d5g n PRO 42 N 5.43 1.34 -2.83 2.79 -0.04 -1.26 -3.74 135.00 136.69 1d5g n PRO 42 Ca 0.07 -0.59 -0.11 0.00 -0.04 0.00 0.00 63.50 62.82 1d5g n PRO 42 Cb 0.48 -1.28 0.03 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.21 1.09 -3.79 0.54 6.02 -1.26 -5.02 117.38 116.16 1d5g n GLN 43 Ca 0.13 -2.96 0.00 0.00 -0.01 0.00 0.00 57.00 54.17 1d5g n GLN 43 Cb 0.55 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.63 1d5g n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1d5g s GLY 44 N -2.47 -0.21 0.36 1.08 0.00 -1.25 -4.98 107.32 99.86 1d5g s GLY 44 Ca 0.30 0.24 0.04 0.00 0.00 0.00 0.00 44.72 45.30 1d5g s GLY 44 CO -0.02 2.02 1.99 0.00 0.00 0.00 0.00 173.10 177.09 1d5g h ALA 45 N 2.00 1.64 -0.05 3.20 0.00 -1.82 -1.53 119.26 122.69 1d5g h ALA 45 Ca -0.27 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1d5g h ALA 45 Cb 1.20 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1d5g h ALA 45 CO 0.30 0.29 -0.25 0.00 0.00 0.00 0.00 179.25 179.59 1d5g h ALA 46 N 1.62 -0.29 -0.00 0.00 0.00 -1.79 -0.15 119.26 118.65 1d5g h ALA 46 Ca 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1d5g h ALA 46 Cb 0.08 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1d5g h ALA 46 CO -0.07 -0.73 -0.00 1.49 0.00 0.00 0.00 179.25 179.93 1d5g h GLU 47 N -0.35 0.00 -0.92 0.00 4.57 -1.71 -1.39 114.58 114.78 1d5g h GLU 47 Ca 0.08 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1d5g h GLU 47 Cb 0.46 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1d5g h GLU 47 CO -0.26 0.47 0.53 0.77 -1.18 0.00 0.00 179.01 179.35 1d5g h SER 48 N -0.46 1.13 0.05 1.04 0.02 -1.23 -3.11 113.55 110.98 1d5g h SER 48 Ca 0.00 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1d5g h SER 48 Cb 0.47 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1d5g h SER 48 CO 0.00 0.88 -0.54 -0.78 -1.14 0.00 0.00 176.83 175.25 1d5g h ASP 49 N 1.28 0.16 -2.86 3.07 3.58 -1.14 -3.50 116.42 117.01 1d5g h ASP 49 Ca 0.33 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.87 1d5g h ASP 49 Cb -0.02 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1d5g h ASP 49 CO -0.06 1.24 0.00 0.61 -2.88 0.00 0.00 179.24 178.15 1d5g n GLY 50 N 1.61 0.61 0.00 -0.78 0.00 -0.52 -5.02 105.19 101.10 1d5g n GLY 50 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.30 -0.03 -4.22 1.61 0.63 -1.26 -5.03 116.66 107.05 1d5g n ARG 51 Ca 0.00 -0.10 -0.20 0.00 -0.92 0.00 0.00 57.85 56.63 1d5g n ARG 51 Cb 0.48 -0.56 -0.12 0.00 0.45 0.00 0.00 32.46 32.70 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 -0.02 1.25 0.39 5.15 1.01 -1.26 -5.06 121.20 122.65 1d5g s ILE 52 Ca 0.00 -1.32 0.04 0.00 0.00 0.00 0.00 60.65 59.36 1d5g s ILE 52 Cb 0.00 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1d5g s ILE 52 CO 0.00 -0.16 0.07 -1.38 0.00 0.00 0.00 174.94 173.47 1d5g s HIS 53 N -1.20 1.95 0.29 3.97 -3.43 -1.26 -4.94 115.29 110.67 1d5g s HIS 53 Ca 0.00 -1.03 -0.30 0.00 -0.80 0.00 0.00 55.06 52.93 1d5g s HIS 53 Cb -0.10 -1.34 -0.12 0.00 -1.43 0.00 0.00 32.58 29.59 1d5g s HIS 53 CO 0.03 -0.01 1.51 0.36 -2.00 0.00 0.00 174.74 174.63 1d5g n LYS 54 N -0.86 2.49 -1.08 -0.38 2.85 -1.26 -3.04 118.16 116.87 1d5g n LYS 54 Ca -0.06 0.88 -0.03 0.00 -1.05 0.00 0.00 58.31 58.05 1d5g n LYS 54 Cb 0.66 -2.61 -0.01 0.00 -0.65 0.00 0.00 35.03 32.42 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 1.88 0.61 3.89 2.58 0.00 -0.06 -4.91 105.19 109.18 1d5g n GLY 55 Ca 0.08 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.82 5.84 -0.11 1.61 1.01 -1.17 -3.98 116.67 117.05 1d5g s ASP 56 Ca 0.00 1.08 0.01 0.00 0.71 0.00 0.00 52.55 54.35 1d5g s ASP 56 Cb 0.00 -2.09 0.02 0.00 1.01 0.00 0.00 42.92 41.86 1d5g s ASP 56 CO 0.00 -1.01 -0.13 -0.60 0.21 0.00 0.00 175.17 173.64 1d5g s ARG 57 N -5.12 2.04 0.42 8.23 3.00 -0.88 -1.27 118.95 125.38 1d5g s ARG 57 Ca 0.54 -0.48 -0.11 0.00 -1.00 0.00 0.00 55.73 54.69 1d5g s ARG 57 Cb -0.11 -1.83 -0.06 0.00 0.00 0.00 0.00 34.95 32.95 1d5g s ARG 57 CO 0.50 -0.14 0.80 0.14 0.00 0.00 0.00 175.30 176.59 1d5g s VAL 58 N 1.23 4.77 0.00 7.11 -7.23 -1.06 -0.55 120.40 124.67 1d5g s VAL 58 Ca -0.02 0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1d5g s VAL 58 Cb -0.14 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.06 1d5g s VAL 58 CO -0.05 -0.57 0.00 0.18 -0.31 0.00 0.00 175.10 174.36 1d5g n LEU 59 N -1.40 0.00 -4.89 1.32 4.77 0.75 -4.58 117.00 112.97 1d5g n LEU 59 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1d5g n LEU 59 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1d5g n LEU 59 CO 0.48 0.00 -0.17 0.00 -1.33 0.00 0.00 177.39 176.37 1d5g s ALA 60 N -2.00 3.90 -0.69 -1.18 0.00 -1.11 -4.47 121.76 116.21 1d5g s ALA 60 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 1d5g s ALA 60 Cb 0.00 -1.86 0.14 0.00 0.00 0.00 0.00 23.12 21.39 1d5g s ALA 60 CO 0.00 0.72 0.76 0.08 0.00 0.00 0.00 175.76 177.32 1d5g s VAL 61 N -1.26 5.02 -1.29 0.00 1.01 -0.73 -1.74 120.40 121.41 1d5g s VAL 61 Ca 0.25 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 1d5g s VAL 61 Cb -0.12 -4.52 0.01 0.00 0.00 0.00 0.00 36.38 31.75 1d5g s VAL 61 CO 0.16 -1.14 0.92 -3.20 0.00 0.00 0.00 175.10 171.83 1d5g n ASN 62 N 5.73 -2.62 0.00 3.32 4.05 -0.84 -2.50 115.26 122.40 1d5g n ASN 62 Ca 0.00 -0.70 0.00 0.00 0.45 0.00 0.00 54.58 54.34 1d5g n ASN 62 Cb 0.44 -4.61 0.00 0.00 1.23 0.00 0.00 39.78 36.84 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 -1.47 2.84 3.43 8.20 0.00 -1.26 -5.03 105.19 111.91 1d5g n GLY 63 Ca -0.22 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.92 5.12 -0.47 1.61 1.01 -1.04 -4.94 120.40 119.77 1d5g s VAL 64 Ca 0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1d5g s VAL 64 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1d5g s VAL 64 CO 0.00 -0.35 1.16 -0.44 0.00 0.00 0.00 175.10 175.47 1d5g s SER 65 N 1.82 6.62 -1.02 3.32 0.01 -1.26 -1.76 113.70 121.43 1d5g s SER 65 Ca 0.04 0.51 -0.14 0.00 1.31 0.00 0.00 55.95 57.67 1d5g s SER 65 Cb -0.20 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.67 1d5g s SER 65 CO 0.09 -1.26 1.12 -0.22 0.41 0.00 0.00 173.24 173.38 1d5g s LEU 66 N 4.52 5.72 0.23 2.44 1.98 -1.26 -5.01 118.68 127.29 1d5g s LEU 66 Ca 0.49 -2.77 -0.30 0.00 -2.89 0.00 0.00 54.13 48.66 1d5g s LEU 66 Cb -0.08 -2.32 -0.09 0.00 0.66 0.00 0.00 46.19 44.36 1d5g s LEU 66 CO 0.31 -0.71 1.35 -1.83 -1.89 0.00 0.00 176.35 173.59 1d5g s GLU 67 N 0.99 4.35 0.00 1.98 -1.05 -1.26 -3.27 118.70 120.44 1d5g s GLU 67 Ca 0.32 2.15 0.00 0.00 -0.15 0.00 0.00 54.97 57.28 1d5g s GLU 67 Cb -0.07 -3.16 0.00 0.00 -0.44 0.00 0.00 34.13 30.47 1d5g s GLU 67 CO -0.07 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.26 1d5g n GLY 68 N 2.17 0.78 3.72 -3.83 0.00 -1.22 -5.06 105.19 101.75 1d5g n GLY 68 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.21 3.33 0.83 4.61 0.00 -1.20 -4.82 121.76 122.30 1d5g s ALA 69 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 1d5g s ALA 69 Cb 0.00 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.82 1d5g s ALA 69 CO 0.00 -0.35 1.19 0.95 0.00 0.00 0.00 175.76 177.55 1d5g s THR 70 N 0.87 2.03 0.25 0.00 -4.23 -1.26 -3.99 115.64 109.31 1d5g s THR 70 Ca 0.56 -0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.99 1d5g s THR 70 Cb -0.27 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 70.80 1d5g s THR 70 CO 0.30 0.00 1.84 -0.74 -0.54 0.00 0.00 174.62 175.47 1d5g h HIS 71 N -1.11 0.97 -0.65 3.99 2.76 -0.94 -1.83 115.15 118.34 1d5g h HIS 71 Ca -0.45 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 57.86 1d5g h HIS 71 Cb 1.31 -0.31 -0.08 0.00 1.55 0.00 0.00 27.41 29.88 1d5g h HIS 71 CO 0.03 0.45 0.21 -0.22 -1.30 0.00 0.00 177.93 177.10 1d5g h LYS 72 N 0.92 0.35 -0.21 5.26 1.63 -1.94 0.68 116.57 123.26 1d5g h LYS 72 Ca 0.40 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.99 1d5g h LYS 72 Cb 0.27 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1d5g h LYS 72 CO -0.21 0.23 -0.63 1.96 -3.45 0.00 0.00 179.45 177.36 1d5g h GLN 73 N 0.36 0.73 -0.34 1.90 1.08 -1.74 -2.74 115.11 114.36 1d5g h GLN 73 Ca 0.34 -0.51 -0.12 0.00 -1.45 0.00 0.00 58.65 56.92 1d5g h GLN 73 Cb 0.49 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1d5g h GLN 73 CO -0.37 1.13 -0.25 0.00 -0.95 0.00 0.00 178.83 178.39 1d5g h ALA 74 N 0.75 0.49 -0.15 3.87 0.00 -1.08 -3.11 119.26 120.03 1d5g h ALA 74 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1d5g h ALA 74 Cb 1.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1d5g h ALA 74 CO 0.13 0.48 0.06 0.28 0.00 0.00 0.00 179.25 180.20 1d5g h VAL 75 N 0.55 1.15 -0.56 0.00 2.07 -0.87 -1.88 116.25 116.71 1d5g h VAL 75 Ca 0.07 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.22 1d5g h VAL 75 Cb 0.81 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 1d5g h VAL 75 CO 0.07 0.14 0.17 -0.08 0.02 0.00 0.00 177.57 177.89 1d5g h GLU 76 N 0.09 0.32 -0.53 1.57 4.81 -1.57 0.81 114.58 120.08 1d5g h GLU 76 Ca 0.05 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1d5g h GLU 76 Cb 0.17 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1d5g h GLU 76 CO -0.00 0.21 0.03 1.15 -0.73 0.00 0.00 179.01 179.66 1d5g h THR 77 N 0.33 1.26 0.00 0.32 2.02 -1.45 -2.16 112.91 113.23 1d5g h THR 77 Ca 0.28 -1.05 -0.19 0.00 0.77 0.00 0.00 66.41 66.22 1d5g h THR 77 Cb 0.37 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1d5g h THR 77 CO -0.32 0.38 -1.18 -0.07 0.37 0.00 0.00 175.52 174.69 1d5g h LEU 78 N 0.79 0.00 -0.27 2.58 3.38 -1.19 -3.35 115.31 117.25 1d5g h LEU 78 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 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 0.02 0.73 0.03 0.03 0.09 0.00 0.00 178.44 179.35 1d5g h ARG 79 N 0.00 0.45 -2.91 1.13 3.08 -0.79 -3.24 114.38 112.10 1d5g h ARG 79 Ca -0.12 -0.13 -0.70 0.00 0.07 0.00 0.00 59.98 59.10 1d5g h ARG 79 Cb 1.66 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 1d5g h ARG 79 CO 0.07 0.58 3.35 -1.71 -1.07 0.00 0.00 179.97 181.20 1d5g n ASN 80 N -4.65 8.38 0.00 7.04 5.15 -0.82 -4.46 115.26 125.90 1d5g n ASN 80 Ca -0.03 -2.77 0.00 0.00 -0.60 0.00 0.00 54.58 51.18 1d5g n ASN 80 Cb 0.22 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 37.97 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 3.01 0.00 0.00 -0.44 -2.24 -1.23 -4.96 114.28 108.42 1d5g n THR 81 Ca 0.72 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.50 1d5g n THR 81 Cb 0.24 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 2.54 1.99 0.06 3.38 0.00 -1.26 -4.64 105.19 107.26 1d5g n GLY 82 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.48 1.61 4.15 -1.96 -3.40 115.11 111.02 1d5g h GLN 83 Ca 0.00 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.15 1d5g h GLN 83 Cb 0.00 0.00 -0.22 0.00 0.21 0.00 0.00 27.48 27.47 1d5g h GLN 83 CO 0.00 0.13 -0.73 0.54 -1.93 0.00 0.00 178.83 176.83 1d5g s VAL 84 N -1.73 0.48 -0.19 2.39 0.11 -1.26 -1.72 120.40 118.48 1d5g s VAL 84 Ca -0.05 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 58.00 1d5g s VAL 84 Cb 0.00 -0.55 0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1d5g s VAL 84 CO 0.11 -0.36 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.81 1d5g s VAL 85 N -1.29 1.09 -0.28 2.04 1.01 0.01 -4.92 120.40 118.06 1d5g s VAL 85 Ca -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1d5g s VAL 85 Cb -0.09 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 34.99 1d5g s VAL 85 CO 0.00 -0.03 0.03 -2.28 0.00 0.00 0.00 175.10 172.83 1d5g s HIS 86 N 1.62 2.24 0.23 5.22 5.04 -1.26 -1.05 115.29 127.32 1d5g s HIS 86 Ca -0.02 -1.88 0.06 0.00 -1.54 0.00 0.00 55.06 51.69 1d5g s HIS 86 Cb -0.17 -1.82 -0.05 0.00 0.04 0.00 0.00 32.58 30.59 1d5g s HIS 86 CO -0.07 -0.83 -0.09 -0.51 -2.34 0.00 0.00 174.74 170.91 1d5g s LEU 87 N 1.44 2.46 -0.05 8.88 1.43 -1.14 -2.00 118.68 129.71 1d5g s LEU 87 Ca 0.04 -1.11 0.06 0.00 -1.03 0.00 0.00 54.13 52.09 1d5g s LEU 87 Cb -0.18 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 1d5g s LEU 87 CO -0.14 -0.31 -0.25 -0.76 0.23 0.00 0.00 176.35 175.12 1d5g s LEU 88 N -3.34 2.06 0.12 1.79 2.01 -0.71 -1.28 118.68 119.32 1d5g s LEU 88 Ca 0.25 -0.50 -0.12 0.00 0.01 0.00 0.00 54.13 53.78 1d5g s LEU 88 Cb 0.02 -1.35 0.01 0.00 0.01 0.00 0.00 46.19 44.88 1d5g s LEU 88 CO 0.08 0.26 0.29 -1.48 1.01 0.00 0.00 176.35 176.51 1d5g s LEU 89 N -0.25 0.93 -0.09 1.79 2.34 -0.08 -0.18 118.68 123.14 1d5g s LEU 89 Ca -0.01 -0.57 0.02 0.00 0.06 0.00 0.00 54.13 53.63 1d5g s LEU 89 Cb -0.13 1.39 -0.02 0.00 -0.56 0.00 0.00 46.19 46.87 1d5g s LEU 89 CO 0.03 -0.82 -0.14 -0.70 -1.06 0.00 0.00 176.35 173.66 1d5g s GLU 90 N -3.86 2.95 0.28 1.48 2.12 0.29 -0.68 118.70 121.28 1d5g s GLU 90 Ca 0.07 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 1d5g s GLU 90 Cb 0.03 -2.50 -0.11 0.00 0.26 0.00 0.00 34.13 31.82 1d5g s GLU 90 CO -0.09 0.41 1.52 0.15 -0.54 0.00 0.00 175.26 176.72 1d5g s LYS 91 N -0.17 4.19 0.00 4.30 -0.14 -0.10 -2.06 119.74 125.75 1d5g s LYS 91 Ca -0.00 2.46 0.00 0.00 -1.36 0.00 0.00 55.97 57.06 1d5g s LYS 91 Cb -0.13 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 1d5g s LYS 91 CO 0.03 -0.54 0.00 0.41 -0.76 0.00 0.00 175.35 174.50 1d5g n GLY 92 N 2.14 1.08 3.92 -3.33 0.00 -1.26 -4.28 105.19 103.47 1d5g n GLY 92 Ca 0.07 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 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 1.10 3.56 0.33 1.61 -0.21 -1.26 -4.62 119.66 120.16 1d5g s GLN 93 Ca 0.00 -0.21 -0.28 0.00 0.02 0.00 0.00 55.36 54.89 1d5g s GLN 93 Cb 0.00 -2.75 -0.09 0.00 1.00 0.00 0.00 33.01 31.17 1d5g s GLN 93 CO 0.00 0.31 1.11 0.45 -2.12 0.00 0.00 175.29 175.03 1d5g s SER 94 N -3.25 7.02 0.24 5.90 0.15 -1.26 -4.95 113.70 117.55 1d5g s SER 94 Ca 0.41 2.25 -0.30 0.00 0.70 0.00 0.00 55.95 59.00 1d5g s SER 94 Cb -0.11 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.50 1d5g s SER 94 CO 0.30 -0.32 0.96 -2.16 1.20 0.00 0.00 173.24 173.22 1d5g s PRO 95 N -1.82 4.82 0.00 5.44 0.04 -1.26 -5.19 135.00 137.03 1d5g s PRO 95 Ca 0.49 1.53 0.25 0.00 0.04 0.00 0.00 61.00 63.31 1d5g s PRO 95 Cb -0.30 -3.27 0.41 0.00 0.04 0.00 0.00 34.50 31.38 1d5g s PRO 95 CO 0.38 0.46 1.39 0.25 0.04 0.00 0.00 177.00 179.52