#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 3.99 -0.06 -0.52 1.02 -1.26 -4.93 119.74 117.99 1d5g s LYS 2 Ca 0.00 1.15 0.01 0.00 0.02 0.00 0.00 55.97 57.15 1d5g s LYS 2 Cb 0.00 -2.14 0.09 0.00 -0.52 0.00 0.00 37.83 35.26 1d5g s LYS 2 CO 0.00 -0.25 1.10 -0.35 -0.92 0.00 0.00 175.35 174.93 1d5g n PRO 3 N -1.04 1.18 -3.48 -1.68 -0.04 -1.26 -4.49 135.00 124.19 1d5g n PRO 3 Ca 0.08 -0.40 -0.41 0.00 -0.04 0.00 0.00 63.50 62.73 1d5g n PRO 3 Cb 0.54 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 1d5g n PRO 3 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1d5g s GLY 4 N 0.66 3.13 0.26 0.55 0.00 -1.26 -4.83 107.32 105.82 1d5g s GLY 4 Ca 0.07 -3.81 -0.29 0.00 0.00 0.00 0.00 44.72 40.69 1d5g s GLY 4 CO 0.01 1.26 1.19 0.51 0.00 0.00 0.00 173.10 176.07 1d5g s ASP 5 N 0.71 7.08 0.10 1.64 -4.77 -1.26 -4.33 116.67 115.84 1d5g s ASP 5 Ca 0.28 2.36 -0.20 0.00 -3.30 0.00 0.00 52.55 51.70 1d5g s ASP 5 Cb -0.09 -2.62 -0.07 0.00 -1.09 0.00 0.00 42.92 39.05 1d5g s ASP 5 CO -0.10 -0.32 0.60 -0.63 0.70 0.00 0.00 175.17 175.42 1d5g s ILE 6 N -0.74 4.70 0.16 2.11 1.09 -1.26 -1.26 121.20 126.00 1d5g s ILE 6 Ca 0.49 1.24 -0.23 0.00 -1.10 0.00 0.00 60.65 61.04 1d5g s ILE 6 Cb -0.34 -3.91 0.07 0.00 -1.06 0.00 0.00 42.46 37.22 1d5g s ILE 6 CO 0.42 0.51 0.66 0.72 -0.10 0.00 0.00 174.94 177.15 1d5g s PHE 7 N -1.17 -0.45 -0.13 3.97 -0.71 -0.54 -5.00 117.98 113.96 1d5g s PHE 7 Ca 0.31 0.20 0.01 0.00 -1.04 0.00 0.00 56.93 56.42 1d5g s PHE 7 Cb -0.19 0.58 -0.01 0.00 -1.21 0.00 0.00 43.02 42.20 1d5g s PHE 7 CO 0.20 -0.88 -0.17 -1.21 -1.34 0.00 0.00 175.22 171.83 1d5g s GLU 8 N -3.69 3.23 -0.16 1.99 2.02 -1.26 -1.29 118.70 119.53 1d5g s GLU 8 Ca 0.03 -0.76 -0.06 0.00 0.02 0.00 0.00 54.97 54.20 1d5g s GLU 8 Cb -0.02 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1d5g s GLU 8 CO -0.09 0.12 0.05 0.14 0.02 0.00 0.00 175.26 175.50 1d5g s VAL 9 N 0.56 4.71 -0.17 2.63 -7.23 -0.70 -5.00 120.40 115.20 1d5g s VAL 9 Ca -0.10 -0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.00 1d5g s VAL 9 Cb -0.16 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.69 1d5g s VAL 9 CO 0.04 0.49 -0.15 -1.83 -0.31 0.00 0.00 175.10 173.34 1d5g s GLU 10 N 0.10 3.18 0.22 4.82 -1.05 -1.26 -1.98 118.70 122.74 1d5g s GLU 10 Ca 0.05 -0.75 0.01 0.00 -0.15 0.00 0.00 54.97 54.12 1d5g s GLU 10 Cb -0.12 -2.66 -0.05 0.00 -0.44 0.00 0.00 34.13 30.86 1d5g s GLU 10 CO 0.01 -0.06 0.07 -1.17 0.95 0.00 0.00 175.26 175.06 1d5g s LEU 11 N 1.01 1.73 0.20 1.83 2.96 -0.31 -5.01 118.68 121.10 1d5g s LEU 11 Ca -0.02 -1.32 0.07 0.00 -0.22 0.00 0.00 54.13 52.64 1d5g s LEU 11 Cb -0.15 0.04 -0.05 0.00 0.50 0.00 0.00 46.19 46.54 1d5g s LEU 11 CO -0.03 -0.69 -0.12 0.00 -1.32 0.00 0.00 176.35 174.18 1d5g s ALA 12 N -3.77 1.89 -0.53 5.97 0.00 -1.26 -0.33 121.76 123.73 1d5g s ALA 12 Ca 0.34 -1.65 -0.27 0.00 0.00 0.00 0.00 51.96 50.38 1d5g s ALA 12 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1d5g s ALA 12 CO 0.10 -0.00 1.74 0.21 0.00 0.00 0.00 175.76 177.81 1d5g s LYS 13 N -3.69 2.96 0.00 0.00 2.20 0.26 -4.85 119.74 116.62 1d5g s LYS 13 Ca 0.22 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1d5g s LYS 13 Cb 0.01 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 1d5g s LYS 13 CO 0.06 -2.33 0.00 0.27 -0.36 0.00 0.00 175.35 172.99 1d5g n ASN 14 N 11.40 0.00 -0.03 1.43 0.23 -1.26 -4.83 115.26 122.20 1d5g n ASN 14 Ca 0.19 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 54.10 1d5g n ASN 14 Cb 0.50 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.25 0.00 0.53 3.58 -2.01 -3.48 116.42 115.29 1d5g h ASP 15 Ca 0.00 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.81 1d5g h ASP 15 Cb 0.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1d5g h ASP 15 CO 0.00 0.84 0.00 -3.20 -2.88 0.00 0.00 179.24 174.00 1d5g n ASN 16 N -4.57 0.00 0.00 2.28 2.85 -1.26 -5.11 115.26 109.45 1d5g n ASN 16 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1d5g n ASN 16 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 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 -4.45 113.62 112.52 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 0.00 0.00 0.00 1.04 4.77 -1.26 -4.52 117.00 117.03 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 2.91 0.91 3.11 -0.72 0.00 -1.26 -1.12 105.19 109.02 1d5g n GLY 19 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.62 0.70 0.17 -0.61 2.07 -1.26 -1.72 121.20 118.92 1d5g s ILE 20 Ca 0.00 -1.35 0.10 0.00 -1.41 0.00 0.00 60.65 57.99 1d5g s ILE 20 Cb 0.00 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 1d5g s ILE 20 CO 0.00 -0.48 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.39 1d5g s SER 21 N -2.00 3.07 0.19 4.50 1.04 -0.22 -4.91 113.70 115.38 1d5g s SER 21 Ca -0.03 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 55.63 1d5g s SER 21 Cb -0.06 -0.21 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 1d5g s SER 21 CO -0.00 0.06 -0.14 -0.69 0.98 0.00 0.00 173.24 173.45 1d5g s VAL 22 N -1.71 1.61 0.01 5.02 1.01 -1.26 -0.61 120.40 124.46 1d5g s VAL 22 Ca 0.17 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 60.01 1d5g s VAL 22 Cb -0.07 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1d5g s VAL 22 CO 0.08 -0.61 -0.03 0.28 0.00 0.00 0.00 175.10 174.82 1d5g s THR 23 N -2.98 0.23 0.00 3.92 -1.32 -1.10 -4.67 115.64 109.72 1d5g s THR 23 Ca 0.20 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1d5g s THR 23 Cb -0.00 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.75 1d5g s THR 23 CO 0.05 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1d5g n GLY 24 N 2.67 0.89 0.28 6.08 0.00 -1.26 -4.17 105.19 109.68 1d5g n GLY 24 Ca -0.15 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 1.42 0.00 -0.02 0.00 -1.26 -4.90 105.19 100.43 1d5g n GLY 25 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.01 0.00 -0.13 1.61 0.31 -1.26 -2.77 118.33 115.08 1d5g n VAL 26 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1d5g n VAL 26 Cb 0.08 -0.24 -0.09 0.00 -0.91 0.00 0.00 33.84 32.68 1d5g n VAL 26 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1d5g n ASN 27 N 0.00 1.94 -3.71 4.52 3.02 -1.26 -3.97 115.26 115.80 1d5g n ASN 27 Ca 0.00 0.36 -0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1d5g n ASN 27 Cb 0.00 -0.84 -0.11 0.00 -0.61 0.00 0.00 39.78 38.22 1d5g n ASN 27 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1d5g s THR 28 N -2.52 -0.03 0.00 3.41 -1.32 -1.26 -1.03 115.64 112.89 1d5g s THR 28 Ca -0.36 0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 1d5g s THR 28 Cb 0.12 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1d5g s THR 28 CO 0.49 0.04 0.00 -1.20 -2.21 0.00 0.00 174.62 171.74 1d5g n SER 29 N 4.06 0.00 -0.04 8.08 7.64 -1.26 -4.92 113.62 127.18 1d5g n SER 29 Ca -0.22 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.50 1d5g n SER 29 Cb 0.55 0.21 -0.13 0.00 -1.01 0.00 0.00 64.21 63.83 1d5g n SER 29 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1d5g h VAL 30 N 0.00 1.71 -1.75 0.44 3.04 -1.86 -3.47 116.25 114.37 1d5g h VAL 30 Ca 0.00 -2.33 0.00 0.00 -1.01 0.00 0.00 66.70 63.36 1d5g h VAL 30 Cb 0.00 3.29 0.00 0.00 -2.01 0.00 0.00 31.29 32.57 1d5g h VAL 30 CO 0.00 0.62 0.00 0.54 -1.01 0.00 0.00 177.57 177.72 1d5g n ARG 31 N -4.51 1.58 -2.19 4.17 5.12 -1.26 -5.06 116.66 114.51 1d5g n ARG 31 Ca -0.11 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.38 1d5g n ARG 31 Cb 0.55 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.82 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 -0.15 2.15 0.18 -1.55 -3.43 -1.26 -4.46 115.29 106.76 1d5g s HIS 32 Ca 0.00 0.64 0.00 0.00 -0.80 0.00 0.00 55.06 54.90 1d5g s HIS 32 Cb 0.00 -4.19 0.00 0.00 -1.43 0.00 0.00 32.58 26.96 1d5g s HIS 32 CO 0.00 -2.46 0.00 0.41 -2.00 0.00 0.00 174.74 170.69 1d5g n GLY 33 N 5.13 -2.06 0.00 -1.38 0.00 -0.20 -4.77 105.19 101.92 1d5g n GLY 33 Ca 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.71 2.15 3.19 -0.02 0.00 -1.26 -4.48 105.19 102.05 1d5g n GLY 34 Ca 0.01 -1.92 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.85 1.41 -0.02 -0.61 -1.09 -1.26 -4.21 121.20 112.56 1d5g s ILE 35 Ca 0.00 -0.92 0.04 0.00 -2.23 0.00 0.00 60.65 57.54 1d5g s ILE 35 Cb 0.00 -1.21 -0.01 0.00 -1.58 0.00 0.00 42.46 39.67 1d5g s ILE 35 CO 0.00 0.26 -0.15 -0.47 -1.23 0.00 0.00 174.94 173.35 1d5g s TYR 36 N -0.60 1.43 0.11 3.97 5.04 -1.26 -3.81 117.35 122.24 1d5g s TYR 36 Ca 0.06 -0.32 -0.30 0.00 -2.44 0.00 0.00 57.07 54.07 1d5g s TYR 36 Cb -0.07 -0.94 -0.06 0.00 0.35 0.00 0.00 41.96 41.23 1d5g s TYR 36 CO 0.00 -0.07 1.07 0.08 -1.34 0.00 0.00 175.55 175.30 1d5g s VAL 37 N -0.22 4.18 -0.06 3.14 1.01 -0.77 -2.72 120.40 124.96 1d5g s VAL 37 Ca 0.03 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.71 1d5g s VAL 37 Cb -0.08 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1d5g s VAL 37 CO 0.00 0.24 -0.08 1.17 0.00 0.00 0.00 175.10 176.43 1d5g n LYS 38 N 2.99 0.20 -3.47 2.72 4.81 0.22 -1.40 118.16 124.23 1d5g n LYS 38 Ca 0.04 0.35 -0.11 0.00 -0.87 0.00 0.00 58.31 57.72 1d5g n LYS 38 Cb 0.48 -1.14 -0.02 0.00 0.02 0.00 0.00 35.03 34.36 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 -2.89 -1.59 -0.16 3.14 0.00 -1.18 -4.53 121.76 114.56 1d5g s ALA 39 Ca -0.07 0.47 -0.22 0.00 0.00 0.00 0.00 51.96 52.14 1d5g s ALA 39 Cb 0.01 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1d5g s ALA 39 CO 0.10 -0.79 0.66 0.08 0.00 0.00 0.00 175.76 175.82 1d5g s VAL 40 N -3.70 5.02 0.06 0.00 1.01 -1.26 -1.05 120.40 120.47 1d5g s VAL 40 Ca 0.02 1.30 -0.27 0.00 0.00 0.00 0.00 61.98 63.03 1d5g s VAL 40 Cb -0.01 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1d5g s VAL 40 CO -0.11 0.15 0.84 -0.63 0.00 0.00 0.00 175.10 175.35 1d5g s ILE 41 N 1.57 4.69 0.00 2.22 -1.09 -0.70 -4.94 121.20 122.95 1d5g s ILE 41 Ca 0.32 1.78 -0.02 0.00 -2.23 0.00 0.00 60.65 60.50 1d5g s ILE 41 Cb -0.16 -4.19 -0.09 0.00 -1.58 0.00 0.00 42.46 36.44 1d5g s ILE 41 CO 0.12 0.33 2.46 -0.81 -1.23 0.00 0.00 174.94 175.82 1d5g n PRO 42 N 2.93 1.29 -2.70 2.79 -0.04 -1.26 -4.07 135.00 133.95 1d5g n PRO 42 Ca -0.00 -0.32 -0.06 0.00 -0.04 0.00 0.00 63.50 63.07 1d5g n PRO 42 Cb 0.50 -1.34 0.09 0.00 -0.04 0.00 0.00 33.50 32.72 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 1.85 1.25 -2.31 0.54 7.27 -1.26 -5.01 117.38 119.70 1d5g n GLN 43 Ca 0.14 -2.20 0.00 0.00 0.07 0.00 0.00 57.00 55.01 1d5g n GLN 43 Cb 0.62 -0.38 0.00 0.00 2.41 0.00 0.00 30.24 32.89 1d5g n GLN 43 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1d5g n GLY 44 N -0.62 0.73 0.21 1.69 0.00 -1.26 -4.81 105.19 101.13 1d5g n GLY 44 Ca -0.02 -0.92 0.05 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 1.48 -0.84 4.61 0.00 -1.47 -2.06 119.26 122.98 1d5g h ALA 45 Ca -0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1d5g h ALA 45 Cb 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1d5g h ALA 45 CO 0.09 0.34 0.52 0.00 0.00 0.00 0.00 179.25 180.20 1d5g h ALA 46 N 1.73 1.07 -0.09 0.00 0.00 -1.39 -1.19 119.26 119.39 1d5g h ALA 46 Ca -0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1d5g h ALA 46 Cb 0.50 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1d5g h ALA 46 CO 0.04 0.52 -0.52 1.49 0.00 0.00 0.00 179.25 180.78 1d5g h GLU 47 N 1.15 0.51 0.51 0.00 4.57 -1.68 -2.70 114.58 116.94 1d5g h GLU 47 Ca 0.30 -0.43 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1d5g h GLU 47 Cb -0.07 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1d5g h GLU 47 CO -0.06 1.06 -0.24 1.03 -1.18 0.00 0.00 179.01 179.62 1d5g h SER 48 N 0.10 -0.57 0.21 1.04 0.87 -1.20 -3.33 113.55 110.66 1d5g h SER 48 Ca -0.04 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1d5g h SER 48 Cb 1.17 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1d5g h SER 48 CO 0.11 -0.33 -0.10 -0.78 -0.53 0.00 0.00 176.83 175.19 1d5g h ASP 49 N -0.79 -0.24 -1.30 6.23 3.58 -1.40 -3.51 116.42 118.99 1d5g h ASP 49 Ca -0.07 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1d5g h ASP 49 Cb 0.57 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1d5g h ASP 49 CO 0.11 0.21 0.00 0.61 -2.88 0.00 0.00 179.24 177.29 1d5g n GLY 50 N 1.04 -0.94 0.00 -0.78 0.00 -1.02 -5.08 105.19 98.42 1d5g n GLY 50 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.06 2.04 -4.81 1.61 3.00 -1.26 -5.08 116.66 112.10 1d5g n ARG 51 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 1d5g n ARG 51 Cb 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 32.46 31.74 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1d5g s ILE 52 N -0.85 1.37 0.43 5.15 -1.09 -1.26 -5.14 121.20 119.81 1d5g s ILE 52 Ca 0.00 -0.70 0.06 0.00 -2.23 0.00 0.00 60.65 57.78 1d5g s ILE 52 Cb 0.00 -1.17 -0.07 0.00 -1.58 0.00 0.00 42.46 39.64 1d5g s ILE 52 CO 0.00 0.39 0.03 -1.38 -1.23 0.00 0.00 174.94 172.75 1d5g s HIS 53 N -0.10 2.42 0.47 3.97 -3.43 -1.26 -4.89 115.29 112.47 1d5g s HIS 53 Ca -0.00 -0.71 -0.24 0.00 -0.80 0.00 0.00 55.06 53.31 1d5g s HIS 53 Cb -0.10 -1.77 -0.08 0.00 -1.43 0.00 0.00 32.58 29.20 1d5g s HIS 53 CO 0.01 0.38 1.31 0.36 -2.00 0.00 0.00 174.74 174.81 1d5g n LYS 54 N -1.05 1.89 -1.06 -0.38 2.85 -1.26 -3.41 118.16 115.75 1d5g n LYS 54 Ca -0.07 0.68 -0.02 0.00 -1.05 0.00 0.00 58.31 57.85 1d5g n LYS 54 Cb 0.67 -2.48 -0.01 0.00 -0.65 0.00 0.00 35.03 32.56 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 0.77 0.55 3.87 2.58 0.00 -0.49 -4.90 105.19 107.56 1d5g n GLY 55 Ca 0.08 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1d5g n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d5g s ASP 56 N -2.50 6.34 -0.18 1.61 -1.08 -1.22 -3.81 116.67 115.82 1d5g s ASP 56 Ca 0.00 1.30 0.00 0.00 -0.52 0.00 0.00 52.55 53.33 1d5g s ASP 56 Cb 0.00 -2.41 0.04 0.00 -1.46 0.00 0.00 42.92 39.10 1d5g s ASP 56 CO 0.00 -0.70 -0.07 -0.60 0.52 0.00 0.00 175.17 174.33 1d5g s ARG 57 N -4.72 1.65 0.57 4.34 3.52 -1.15 -1.84 118.95 121.32 1d5g s ARG 57 Ca 0.53 -0.67 -0.14 0.00 -0.13 0.00 0.00 55.73 55.33 1d5g s ARG 57 Cb -0.11 -2.21 -0.06 0.00 -1.56 0.00 0.00 34.95 31.02 1d5g s ARG 57 CO 0.45 -0.45 1.01 0.14 -0.81 0.00 0.00 175.30 175.64 1d5g s VAL 58 N 1.53 4.62 0.00 7.11 -7.23 -1.25 -0.66 120.40 124.52 1d5g s VAL 58 Ca -0.01 1.03 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 1d5g s VAL 58 Cb -0.16 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 32.98 1d5g s VAL 58 CO -0.08 -0.94 0.00 0.18 -0.31 0.00 0.00 175.10 173.95 1d5g n LEU 59 N -2.23 0.00 -4.92 1.32 4.32 0.13 -4.67 117.00 110.95 1d5g n LEU 59 Ca 0.06 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.80 1d5g n LEU 59 Cb 0.54 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 1d5g n LEU 59 CO 0.53 0.00 0.29 0.00 -1.22 0.00 0.00 177.39 176.99 1d5g s ALA 60 N -2.00 3.57 -0.85 -1.18 0.00 -1.11 -3.93 121.76 116.25 1d5g s ALA 60 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1d5g s ALA 60 Cb 0.00 -2.33 0.21 0.00 0.00 0.00 0.00 23.12 21.00 1d5g s ALA 60 CO 0.00 -0.13 0.72 0.08 0.00 0.00 0.00 175.76 176.42 1d5g s VAL 61 N -2.47 4.00 -0.76 0.00 1.01 0.71 -1.99 120.40 120.90 1d5g s VAL 61 Ca 0.43 -3.99 -0.00 0.00 0.00 0.00 0.00 61.98 58.42 1d5g s VAL 61 Cb -0.10 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 1d5g s VAL 61 CO 0.39 -1.07 0.70 -3.20 0.00 0.00 0.00 175.10 171.91 1d5g n ASN 62 N 2.21 -7.45 0.00 3.32 5.15 -0.74 -3.58 115.26 114.18 1d5g n ASN 62 Ca 0.21 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1d5g n ASN 62 Cb 0.36 -4.92 0.00 0.00 -0.53 0.00 0.00 39.78 34.70 1d5g n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1d5g n GLY 63 N -1.74 2.31 3.78 8.20 0.00 -1.26 -5.00 105.19 111.47 1d5g n GLY 63 Ca -0.04 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 1d5g n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d5g s VAL 64 N 0.00 4.60 0.54 1.61 -7.23 -1.23 -4.92 120.40 113.76 1d5g s VAL 64 Ca 0.00 1.51 -0.15 0.00 -1.81 0.00 0.00 61.98 61.52 1d5g s VAL 64 Cb 0.00 -4.05 -0.07 0.00 0.56 0.00 0.00 36.38 32.83 1d5g s VAL 64 CO 0.00 0.49 1.00 -0.55 -0.31 0.00 0.00 175.10 175.73 1d5g s SER 65 N -0.81 6.45 0.00 4.85 0.15 -1.26 -0.21 113.70 122.86 1d5g s SER 65 Ca 0.34 1.58 0.20 0.00 0.70 0.00 0.00 55.95 58.76 1d5g s SER 65 Cb -0.21 -2.51 0.89 0.00 -1.71 0.00 0.00 66.02 62.48 1d5g s SER 65 CO 0.23 -0.71 1.61 0.00 1.20 0.00 0.00 173.24 175.57 1d5g n LEU 66 N -1.84 1.01 -4.66 3.45 -0.00 -1.25 -4.86 117.00 108.84 1d5g n LEU 66 Ca 0.07 -0.42 -0.42 0.00 -0.00 0.00 0.00 56.01 55.24 1d5g n LEU 66 Cb 0.54 -0.06 -0.03 0.00 -0.00 0.00 0.00 43.42 43.87 1d5g n LEU 66 CO 0.48 0.21 1.53 -0.70 -0.00 0.00 0.00 177.39 178.91 1d5g s GLU 67 N -1.87 4.15 0.00 1.47 2.12 -1.26 -1.68 118.70 121.63 1d5g s GLU 67 Ca 0.30 2.49 0.00 0.00 0.36 0.00 0.00 54.97 58.13 1d5g s GLU 67 Cb 0.16 -4.08 0.00 0.00 0.26 0.00 0.00 34.13 30.47 1d5g s GLU 67 CO 0.24 -0.92 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 1d5g n GLY 68 N 4.41 2.97 3.76 -1.50 0.00 -1.26 -5.10 105.19 108.47 1d5g n GLY 68 Ca 0.19 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.22 3.43 0.76 4.61 0.00 -0.67 -5.01 121.76 124.66 1d5g s ALA 69 Ca 0.00 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1d5g s ALA 69 Cb 0.00 -3.40 0.14 0.00 0.00 0.00 0.00 23.12 19.86 1d5g s ALA 69 CO 0.00 -0.41 0.94 0.25 0.00 0.00 0.00 175.76 176.55 1d5g n THR 70 N 0.92 0.00 0.04 0.00 -2.24 -1.26 -4.49 114.28 107.24 1d5g n THR 70 Ca -0.00 -1.27 -0.12 0.00 -2.27 0.00 0.00 64.05 60.39 1d5g n THR 70 Cb 0.44 -1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 1d5g n THR 70 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1d5g h HIS 71 N -0.82 0.01 -0.78 4.78 2.76 -1.64 -0.12 115.15 119.33 1d5g h HIS 71 Ca -0.31 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 57.97 1d5g h HIS 71 Cb 1.07 -0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.95 1d5g h HIS 71 CO 0.00 0.02 0.41 -0.22 -1.30 0.00 0.00 177.93 176.84 1d5g h LYS 72 N -0.01 0.65 -0.24 5.26 1.63 -1.96 -0.91 116.57 121.01 1d5g h LYS 72 Ca 0.00 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.59 1d5g h LYS 72 Cb 0.01 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 1d5g h LYS 72 CO -0.00 0.43 -0.52 0.37 -3.45 0.00 0.00 179.45 176.28 1d5g h GLN 73 N 0.67 0.77 -0.42 1.90 4.15 -1.86 -2.08 115.11 118.24 1d5g h GLN 73 Ca 0.39 -0.51 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1d5g h GLN 73 Cb 0.43 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1d5g h GLN 73 CO -0.28 1.14 0.14 0.00 -1.93 0.00 0.00 178.83 177.89 1d5g h ALA 74 N 0.63 0.55 -0.23 3.38 0.00 -0.64 -1.95 119.26 121.00 1d5g h ALA 74 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 1d5g h ALA 74 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1d5g h ALA 74 CO 0.11 0.19 -0.63 -0.39 0.00 0.00 0.00 179.25 178.54 1d5g h VAL 75 N 0.53 1.28 -0.04 0.00 -1.51 -1.22 -3.14 116.25 112.14 1d5g h VAL 75 Ca 0.14 -1.81 -0.14 0.00 -1.23 0.00 0.00 66.70 63.65 1d5g h VAL 75 Cb 0.25 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1d5g h VAL 75 CO -0.01 0.58 -0.63 -0.08 -1.23 0.00 0.00 177.57 176.21 1d5g h GLU 76 N 0.60 0.15 0.00 5.19 4.81 -1.38 -1.22 114.58 122.74 1d5g h GLU 76 Ca -0.01 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1d5g h GLU 76 Cb 1.25 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1d5g h GLU 76 CO 0.14 0.73 -0.32 1.79 -0.73 0.00 0.00 179.01 180.61 1d5g h THR 77 N 0.11 0.85 0.24 0.32 1.35 -1.42 0.16 112.91 114.51 1d5g h THR 77 Ca -0.01 -1.30 -0.32 0.00 -0.55 0.00 0.00 66.41 64.23 1d5g h THR 77 Cb 1.13 1.79 0.04 0.00 -1.73 0.00 0.00 68.15 69.38 1d5g h THR 77 CO 0.09 0.31 -1.42 0.25 -0.25 0.00 0.00 175.52 174.50 1d5g h LEU 78 N 0.00 0.81 0.59 3.87 5.85 -1.44 -3.32 115.31 121.66 1d5g h LEU 78 Ca -0.00 -0.92 -0.03 0.00 0.84 0.00 0.00 57.88 57.76 1d5g h LEU 78 Cb 0.77 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.54 1d5g h LEU 78 CO 0.04 1.69 -0.28 0.03 -0.34 0.00 0.00 178.44 179.57 1d5g h ARG 79 N 0.09 -0.77 -2.79 1.25 3.08 -1.09 -3.21 114.38 110.94 1d5g h ARG 79 Ca -0.25 0.05 -0.67 0.00 0.07 0.00 0.00 59.98 59.18 1d5g h ARG 79 Cb 2.12 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 32.30 1d5g h ARG 79 CO 0.26 -0.50 3.07 0.09 -1.07 0.00 0.00 179.97 181.82 1d5g n ASN 80 N -5.42 8.31 -0.00 7.04 3.02 0.53 -4.25 115.26 124.50 1d5g n ASN 80 Ca -0.13 -2.79 -0.00 0.00 -0.03 0.00 0.00 54.58 51.63 1d5g n ASN 80 Cb 0.33 -1.47 -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 0.71 -2.62 0.00 0.00 177.26 175.35 1d5g h THR 81 N 2.78 0.00 0.00 3.41 1.35 -1.65 -3.45 112.91 115.35 1d5g h THR 81 Ca 0.77 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.60 1d5g h THR 81 Cb 0.35 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.77 1d5g h THR 81 CO 1.59 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.47 1d5g n GLY 82 N 1.88 0.51 0.26 5.82 0.00 -1.26 -4.83 105.19 107.56 1d5g n GLY 82 Ca -0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.61 -5.79 1.61 4.15 -1.98 -3.39 115.11 109.09 1d5g h GLN 83 Ca 0.00 0.04 -0.67 0.00 0.77 0.00 0.00 58.65 58.79 1d5g h GLN 83 Cb 0.00 0.14 -0.14 0.00 0.21 0.00 0.00 27.48 27.68 1d5g h GLN 83 CO 0.00 -0.41 -0.60 0.54 -1.93 0.00 0.00 178.83 176.44 1d5g s VAL 84 N -3.93 4.51 -0.56 2.39 0.11 -1.26 -0.57 120.40 121.09 1d5g s VAL 84 Ca -0.09 -0.16 0.04 0.00 -2.93 0.00 0.00 61.98 58.83 1d5g s VAL 84 Cb 0.01 -2.93 0.14 0.00 -1.53 0.00 0.00 36.38 32.07 1d5g s VAL 84 CO 0.28 0.58 0.32 -0.69 -3.33 0.00 0.00 175.10 172.26 1d5g s VAL 85 N -0.66 2.52 -0.15 2.04 1.01 0.55 -4.92 120.40 120.80 1d5g s VAL 85 Ca 0.11 -3.49 0.00 0.00 0.00 0.00 0.00 61.98 58.61 1d5g s VAL 85 Cb -0.12 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 1d5g s VAL 85 CO 0.02 -0.87 -0.15 -2.28 0.00 0.00 0.00 175.10 171.82 1d5g s HIS 86 N -0.52 2.78 0.13 5.22 5.04 -1.26 -1.16 115.29 125.51 1d5g s HIS 86 Ca 0.19 -1.00 -0.09 0.00 -1.54 0.00 0.00 55.06 52.62 1d5g s HIS 86 Cb -0.20 -1.88 -0.00 0.00 0.04 0.00 0.00 32.58 30.54 1d5g s HIS 86 CO -0.04 -0.45 0.24 -0.48 -2.34 0.00 0.00 174.74 171.67 1d5g s LEU 87 N 0.76 1.17 -0.09 8.88 -0.00 -0.84 -1.78 118.68 126.78 1d5g s LEU 87 Ca -0.06 -0.76 0.04 0.00 -0.00 0.00 0.00 54.13 53.35 1d5g s LEU 87 Cb -0.15 1.12 -0.00 0.00 -0.00 0.00 0.00 46.19 47.16 1d5g s LEU 87 CO 0.01 -0.81 -0.22 -0.22 -0.00 0.00 0.00 176.35 175.10 1d5g s LEU 88 N -2.91 2.02 0.10 1.48 2.96 -0.84 -1.72 118.68 119.76 1d5g s LEU 88 Ca 0.11 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1d5g s LEU 88 Cb 0.04 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 1d5g s LEU 88 CO -0.05 0.16 0.04 -1.48 -1.32 0.00 0.00 176.35 173.70 1d5g s LEU 89 N 0.28 1.98 -0.08 -0.68 2.34 -0.41 0.19 118.68 122.30 1d5g s LEU 89 Ca -0.15 -1.08 -0.01 0.00 0.06 0.00 0.00 54.13 52.95 1d5g s LEU 89 Cb -0.17 0.36 0.03 0.00 -0.56 0.00 0.00 46.19 45.85 1d5g s LEU 89 CO 0.07 -0.69 -0.01 -0.70 -1.06 0.00 0.00 176.35 173.96 1d5g s GLU 90 N -3.98 0.71 0.47 1.48 2.12 0.17 -1.46 118.70 118.19 1d5g s GLU 90 Ca 0.16 0.07 -0.24 0.00 0.36 0.00 0.00 54.97 55.31 1d5g s GLU 90 Cb 0.07 -1.03 -0.07 0.00 0.26 0.00 0.00 34.13 33.36 1d5g s GLU 90 CO -0.04 -0.30 1.36 0.15 -0.54 0.00 0.00 175.26 175.90 1d5g s LYS 91 N 1.93 3.62 0.42 4.30 1.02 -0.39 -2.96 119.74 127.67 1d5g s LYS 91 Ca 0.05 2.27 -0.24 0.00 0.02 0.00 0.00 55.97 58.06 1d5g s LYS 91 Cb -0.12 -2.56 -0.08 0.00 -0.52 0.00 0.00 37.83 34.54 1d5g s LYS 91 CO -0.05 -0.82 1.14 0.20 -0.92 0.00 0.00 175.35 174.89 1d5g s GLY 92 N -0.73 2.81 -0.03 -3.33 0.00 -1.25 -4.25 107.32 100.55 1d5g s GLY 92 Ca 0.63 0.90 -0.15 0.00 0.00 0.00 0.00 44.72 46.10 1d5g s GLY 92 CO 0.51 1.38 0.39 1.20 0.00 0.00 0.00 173.10 176.58 1d5g s GLN 93 N -2.44 3.97 0.72 2.90 1.11 -1.26 -4.73 119.66 119.92 1d5g s GLN 93 Ca 0.59 0.36 -0.11 0.00 0.01 0.00 0.00 55.36 56.21 1d5g s GLN 93 Cb -0.28 -3.26 0.02 0.00 -1.01 0.00 0.00 33.01 28.48 1d5g s GLN 93 CO 0.35 0.60 1.07 -1.12 0.01 0.00 0.00 175.29 176.20 1d5g s SER 94 N -0.75 5.20 1.02 5.90 0.01 -1.26 -5.07 113.70 118.75 1d5g s SER 94 Ca 0.23 1.49 -0.15 0.00 1.31 0.00 0.00 55.95 58.83 1d5g s SER 94 Cb -0.16 -2.33 0.20 0.00 0.21 0.00 0.00 66.02 63.94 1d5g s SER 94 CO 0.12 -1.54 1.14 -2.16 0.41 0.00 0.00 173.24 171.20 1d5g s PRO 95 N -5.10 0.21 0.00 12.44 0.04 -1.26 -5.16 135.00 136.16 1d5g s PRO 95 Ca 0.59 0.16 0.24 0.00 0.04 0.00 0.00 61.00 62.02 1d5g s PRO 95 Cb -0.14 -1.74 0.19 0.00 0.04 0.00 0.00 34.50 32.85 1d5g s PRO 95 CO 0.55 -2.80 1.25 0.25 0.04 0.00 0.00 177.00 176.28