#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 1.96 0.16 -0.52 -2.85 -1.26 -5.02 119.74 112.21 1d5g s LYS 2 Ca 0.00 -0.63 -0.11 0.00 -1.00 0.00 0.00 55.97 54.23 1d5g s LYS 2 Cb 0.00 -2.25 0.03 0.00 -2.06 0.00 0.00 37.83 33.55 1d5g s LYS 2 CO 0.00 -1.31 1.61 -1.35 0.10 0.00 0.00 175.35 174.40 1d5g h PRO 3 N -0.54 0.93 -2.40 1.78 0.11 -1.98 -3.25 132.00 126.65 1d5g h PRO 3 Ca -0.42 -0.30 -0.80 0.00 0.11 0.00 0.00 66.00 64.59 1d5g h PRO 3 Cb 1.29 -0.08 -0.28 0.00 0.11 0.00 0.00 31.00 32.04 1d5g h PRO 3 CO 0.51 0.96 0.90 0.41 -0.21 0.00 0.00 178.00 180.56 1d5g n GLY 4 N -0.38 5.90 3.91 -0.55 0.00 -1.26 -4.87 105.19 107.94 1d5g n GLY 4 Ca 0.01 -2.61 -0.28 0.00 0.00 0.00 0.00 46.02 43.14 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 -1.55 4.97 0.15 1.61 -1.08 -1.23 -4.19 116.67 115.35 1d5g s ASP 5 Ca 0.38 0.74 -0.30 0.00 -0.52 0.00 0.00 52.55 52.84 1d5g s ASP 5 Cb 0.16 -1.42 -0.07 0.00 -1.46 0.00 0.00 42.92 40.13 1d5g s ASP 5 CO -0.08 -1.55 1.01 -0.63 0.52 0.00 0.00 175.17 174.44 1d5g s ILE 6 N -3.33 4.23 0.07 4.11 1.09 -1.26 -1.21 121.20 124.90 1d5g s ILE 6 Ca 0.59 1.91 0.02 0.00 -1.10 0.00 0.00 60.65 62.07 1d5g s ILE 6 Cb -0.11 -4.22 -0.03 0.00 -1.06 0.00 0.00 42.46 37.04 1d5g s ILE 6 CO 0.48 0.32 -0.07 0.72 -0.10 0.00 0.00 174.94 176.29 1d5g s PHE 7 N -0.19 0.77 -0.09 3.97 -0.71 0.38 -4.95 117.98 117.17 1d5g s PHE 7 Ca 0.47 -0.76 0.03 0.00 -1.04 0.00 0.00 56.93 55.63 1d5g s PHE 7 Cb -0.26 -0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 41.08 1d5g s PHE 7 CO 0.32 -0.14 -0.17 -1.83 -1.34 0.00 0.00 175.22 172.05 1d5g s GLU 8 N -2.94 2.90 -0.22 1.99 -1.05 -1.26 -0.50 118.70 117.61 1d5g s GLU 8 Ca 0.03 -0.76 -0.09 0.00 -0.15 0.00 0.00 54.97 54.00 1d5g s GLU 8 Cb -0.01 -2.41 -0.04 0.00 -0.44 0.00 0.00 34.13 31.23 1d5g s GLU 8 CO -0.03 0.37 0.10 0.08 0.95 0.00 0.00 175.26 176.73 1d5g s VAL 9 N -0.08 4.88 -0.59 1.83 1.01 -0.05 -5.01 120.40 122.39 1d5g s VAL 9 Ca -0.04 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1d5g s VAL 9 Cb -0.14 -3.26 0.24 0.00 0.00 0.00 0.00 36.38 33.23 1d5g s VAL 9 CO 0.04 0.38 0.68 -0.62 0.00 0.00 0.00 175.10 175.57 1d5g n GLU 10 N 4.25 2.05 -0.14 2.72 1.02 -1.25 -1.76 120.64 127.52 1d5g n GLU 10 Ca -0.16 -4.32 0.00 0.00 -0.02 0.00 0.00 57.16 52.66 1d5g n GLU 10 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1d5g n GLU 10 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1d5g n LEU 11 N 1.08 0.00 -3.67 -4.62 7.94 0.29 -4.94 117.00 113.08 1d5g n LEU 11 Ca 0.27 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 55.03 1d5g n LEU 11 Cb 0.43 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.31 1d5g n LEU 11 CO 0.34 -0.02 0.17 0.00 -1.11 0.00 0.00 177.39 176.78 1d5g s ALA 12 N -2.00 -1.11 -0.61 1.96 0.00 -1.26 -1.72 121.76 117.02 1d5g s ALA 12 Ca 0.00 0.57 -0.27 0.00 0.00 0.00 0.00 51.96 52.26 1d5g s ALA 12 Cb 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 1d5g s ALA 12 CO 0.00 -0.36 1.62 0.21 0.00 0.00 0.00 175.76 177.23 1d5g s LYS 13 N -1.70 2.97 0.00 0.00 2.20 0.57 -4.84 119.74 118.93 1d5g s LYS 13 Ca -0.10 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 1d5g s LYS 13 Cb -0.02 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.03 1d5g s LYS 13 CO 0.03 -2.34 0.00 0.27 -0.36 0.00 0.00 175.35 172.95 1d5g n ASN 14 N 11.04 0.00 -0.01 1.43 0.23 -1.26 -4.89 115.26 121.80 1d5g n ASN 14 Ca 0.15 0.20 -0.00 0.00 -0.53 0.00 0.00 54.58 54.39 1d5g n ASN 14 Cb 0.50 -0.43 -0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1d5g n ASN 14 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1d5g h ASP 15 N 0.00 0.00 -4.86 0.53 3.32 -2.01 -3.49 116.42 109.90 1d5g h ASP 15 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1d5g h ASP 15 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1d5g h ASP 15 CO 0.00 0.05 -0.65 0.20 -1.72 0.00 0.00 179.24 177.12 1d5g s ASN 16 N -3.52 0.86 -0.16 6.45 0.01 -1.26 -5.08 114.94 112.25 1d5g s ASN 16 Ca -0.01 -1.21 -0.24 0.00 -0.71 0.00 0.00 52.86 50.69 1d5g s ASN 16 Cb 0.00 0.19 -0.21 0.00 0.41 0.00 0.00 41.25 41.64 1d5g s ASN 16 CO 0.01 -0.65 0.52 0.77 -1.51 0.00 0.00 177.10 176.24 1d5g h SER 17 N 2.72 0.00 0.00 -1.22 4.64 -1.94 -3.38 113.55 114.37 1d5g h SER 17 Ca -0.36 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.22 1d5g h SER 17 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1d5g h SER 17 CO 0.61 1.08 0.00 0.18 -0.87 0.00 0.00 176.83 177.83 1d5g n LEU 18 N -4.58 0.00 -0.45 5.97 4.77 -1.26 -4.50 117.00 116.95 1d5g n LEU 18 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1d5g n LEU 18 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1d5g n LEU 18 CO 0.26 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1d5g n GLY 19 N 3.23 0.64 3.18 -0.72 0.00 -1.26 -1.10 105.19 109.17 1d5g n GLY 19 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.99 0.15 0.08 -0.61 2.07 -1.26 -1.48 121.20 118.16 1d5g s ILE 20 Ca 0.00 -1.23 0.09 0.00 -1.41 0.00 0.00 60.65 58.10 1d5g s ILE 20 Cb 0.00 -1.29 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 1d5g s ILE 20 CO 0.00 -0.68 -0.23 -0.55 -1.91 0.00 0.00 174.94 171.57 1d5g s SER 21 N -2.74 2.76 0.08 4.50 0.15 -0.07 -4.88 113.70 113.50 1d5g s SER 21 Ca 0.04 -0.64 0.08 0.00 0.70 0.00 0.00 55.95 56.13 1d5g s SER 21 Cb 0.04 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 1d5g s SER 21 CO -0.10 0.14 -0.22 -0.69 1.20 0.00 0.00 173.24 173.58 1d5g s VAL 22 N -0.98 1.77 -0.04 4.45 1.01 -1.26 -0.08 120.40 125.26 1d5g s VAL 22 Ca 0.09 -1.41 -0.00 0.00 0.00 0.00 0.00 61.98 60.66 1d5g s VAL 22 Cb -0.10 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.74 1d5g s VAL 22 CO 0.04 0.09 0.01 0.28 0.00 0.00 0.00 175.10 175.52 1d5g s THR 23 N -0.98 0.14 -0.77 3.92 -1.32 -0.39 -4.68 115.64 111.56 1d5g s THR 23 Ca 0.08 0.16 -0.02 0.00 -1.21 0.00 0.00 61.69 60.69 1d5g s THR 23 Cb -0.09 -0.28 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 1d5g s THR 23 CO 0.03 0.16 0.70 0.61 -2.21 0.00 0.00 174.62 173.92 1d5g n GLY 24 N 4.50 -1.03 2.34 6.08 0.00 -1.26 -4.06 105.19 111.76 1d5g n GLY 24 Ca -0.19 0.43 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.49 2.20 0.00 -0.02 0.00 -1.26 -4.48 105.19 100.14 1d5g n GLY 25 Ca -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1d5g n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d5g n VAL 26 N 2.25 0.00 0.00 1.61 0.24 -1.26 -3.33 118.33 117.84 1d5g n VAL 26 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 1d5g n VAL 26 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1d5g n VAL 26 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1d5g n ASN 27 N 0.00 0.00 -3.67 -1.34 0.23 -1.26 -3.90 115.26 105.32 1d5g n ASN 27 Ca 0.00 0.36 -0.16 0.00 -0.53 0.00 0.00 54.58 54.26 1d5g n ASN 27 Cb 0.00 -0.18 -0.15 0.00 -2.08 0.00 0.00 39.78 37.37 1d5g n ASN 27 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1d5g s THR 28 N -0.86 -0.27 0.00 5.53 -1.32 -1.26 -4.26 115.64 113.20 1d5g s THR 28 Ca 0.00 0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 1d5g s THR 28 Cb 0.00 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.66 1d5g s THR 28 CO 0.00 0.13 0.00 -1.54 -2.21 0.00 0.00 174.62 171.00 1d5g n SER 29 N 5.21 0.00 0.34 8.08 3.41 -1.25 -4.82 113.62 124.58 1d5g n SER 29 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 1d5g n SER 29 Cb 0.50 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 1d5g n SER 29 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1d5g h VAL 30 N 0.00 0.00 0.00 -3.33 2.07 -1.68 -3.47 116.25 109.84 1d5g h VAL 30 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1d5g h VAL 30 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1d5g h VAL 30 CO 0.00 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.45 1d5g n ARG 31 N -5.19 0.00 -2.41 1.57 0.63 -1.26 -4.95 116.66 105.05 1d5g n ARG 31 Ca -0.11 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.41 1d5g n ARG 31 Cb 0.35 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.27 1d5g n ARG 31 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1d5g n HIS 32 N 0.00 2.65 0.00 -0.14 1.44 -1.26 -4.89 115.22 113.02 1d5g n HIS 32 Ca 0.00 -2.68 0.00 0.00 -2.01 0.00 0.00 57.72 53.03 1d5g n HIS 32 Cb 0.00 -1.53 0.00 0.00 0.12 0.00 0.00 29.99 28.58 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 1.13 1.05 0.00 -1.39 0.00 -1.26 -4.67 105.19 100.05 1d5g n GLY 33 Ca 0.49 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 2.17 3.20 -0.02 0.00 -1.26 -2.29 105.19 106.98 1d5g n GLY 34 Ca 0.00 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.60 1.49 -0.03 -0.61 -1.09 -1.26 -4.31 121.20 112.78 1d5g s ILE 35 Ca 0.00 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.48 1d5g s ILE 35 Cb 0.00 -1.27 0.02 0.00 -1.58 0.00 0.00 42.46 39.63 1d5g s ILE 35 CO 0.00 0.29 -0.04 -0.47 -1.23 0.00 0.00 174.94 173.49 1d5g s TYR 36 N -0.61 0.57 -0.03 3.97 6.14 -1.26 -3.58 117.35 122.55 1d5g s TYR 36 Ca 0.07 -0.12 -0.30 0.00 0.64 0.00 0.00 57.07 57.36 1d5g s TYR 36 Cb -0.08 -0.50 -0.02 0.00 0.42 0.00 0.00 41.96 41.78 1d5g s TYR 36 CO 0.00 -0.12 0.97 0.08 0.64 0.00 0.00 175.55 177.13 1d5g s VAL 37 N 0.63 4.85 -0.15 3.14 1.01 -0.58 -1.26 120.40 128.04 1d5g s VAL 37 Ca -0.08 2.03 -0.15 0.00 0.00 0.00 0.00 61.98 63.78 1d5g s VAL 37 Cb -0.11 -4.31 -0.12 0.00 0.00 0.00 0.00 36.38 31.85 1d5g s VAL 37 CO -0.00 0.12 0.20 0.50 0.00 0.00 0.00 175.10 175.92 1d5g h LYS 38 N 6.89 0.00 -2.29 2.72 3.64 -0.77 -1.64 116.57 125.12 1d5g h LYS 38 Ca -0.38 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.15 1d5g h LYS 38 Cb 1.20 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.90 1d5g h LYS 38 CO 0.78 0.49 0.50 0.00 -2.27 0.00 0.00 179.45 178.95 1d5g s ALA 39 N -2.47 -1.75 -0.18 5.00 0.00 -1.17 -4.66 121.76 116.54 1d5g s ALA 39 Ca -0.15 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 1d5g s ALA 39 Cb 0.01 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.62 1d5g s ALA 39 CO 0.37 -0.88 0.19 0.08 0.00 0.00 0.00 175.76 175.52 1d5g s VAL 40 N -3.19 5.37 -0.13 0.00 1.01 -1.26 -0.89 120.40 121.31 1d5g s VAL 40 Ca 0.09 0.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.13 1d5g s VAL 40 Cb -0.01 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1d5g s VAL 40 CO -0.03 0.44 0.89 -0.63 0.00 0.00 0.00 175.10 175.76 1d5g s ILE 41 N 0.28 4.86 -0.03 2.22 -1.09 -0.55 -4.95 121.20 121.93 1d5g s ILE 41 Ca 0.12 1.78 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 1d5g s ILE 41 Cb -0.12 -4.20 0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1d5g s ILE 41 CO 0.01 0.04 1.27 -0.81 -1.23 0.00 0.00 174.94 174.22 1d5g n PRO 42 N 5.01 1.09 -2.78 2.79 -0.04 -1.26 -3.75 135.00 136.05 1d5g n PRO 42 Ca 0.06 -0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 1d5g n PRO 42 Cb 0.49 -1.08 0.03 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.60 1.10 -3.80 0.54 6.02 -1.26 -4.98 117.38 115.60 1d5g n GLN 43 Ca 0.04 -3.08 -0.04 0.00 -0.01 0.00 0.00 57.00 53.91 1d5g n GLN 43 Cb 0.56 -1.21 -0.00 0.00 1.02 0.00 0.00 30.24 30.61 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 -2.70 -0.08 0.41 1.08 0.00 -1.25 -4.91 107.32 99.88 1d5g s GLY 44 Ca 0.29 -0.09 0.09 0.00 0.00 0.00 0.00 44.72 45.02 1d5g s GLY 44 CO -0.00 0.70 2.01 0.00 0.00 0.00 0.00 173.10 175.81 1d5g h ALA 45 N 2.00 1.66 -0.17 3.20 0.00 -1.54 -1.15 119.26 123.26 1d5g h ALA 45 Ca -0.26 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1d5g h ALA 45 Cb 1.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1d5g h ALA 45 CO 0.30 0.26 0.04 0.00 0.00 0.00 0.00 179.25 179.85 1d5g h ALA 46 N 1.73 0.18 0.00 0.00 0.00 -1.34 0.99 119.26 120.83 1d5g h ALA 46 Ca 0.08 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1d5g h ALA 46 Cb 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1d5g h ALA 46 CO -0.00 -0.39 -0.79 1.49 0.00 0.00 0.00 179.25 179.56 1d5g h GLU 47 N 0.12 0.00 0.50 0.00 4.22 -1.72 -1.80 114.58 115.90 1d5g h GLU 47 Ca 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 1d5g h GLU 47 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1d5g h GLU 47 CO -0.09 0.79 -0.24 1.03 -2.18 0.00 0.00 179.01 178.31 1d5g h SER 48 N 0.00 -0.57 0.06 1.04 0.87 -1.02 -3.37 113.55 110.56 1d5g h SER 48 Ca -0.01 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.40 1d5g h SER 48 Cb 1.49 0.15 0.01 0.00 -0.44 0.00 0.00 62.40 63.60 1d5g h SER 48 CO 0.10 -0.25 -0.36 -0.78 -0.53 0.00 0.00 176.83 175.01 1d5g h ASP 49 N -0.91 0.22 -1.22 6.23 1.82 -0.89 -3.50 116.42 118.17 1d5g h ASP 49 Ca -0.07 -0.96 0.00 0.00 -0.39 0.00 0.00 57.03 55.61 1d5g h ASP 49 Cb 0.60 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.54 1d5g h ASP 49 CO 0.11 1.16 0.00 0.61 -1.61 0.00 0.00 179.24 179.51 1d5g n GLY 50 N 1.59 0.05 1.99 -0.78 0.00 -0.68 -5.09 105.19 102.28 1d5g n GLY 50 Ca -0.12 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1d5g n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d5g n ARG 51 N -0.19 0.00 -4.78 1.61 5.12 -1.24 -5.10 116.66 112.08 1d5g n ARG 51 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 1d5g n ARG 51 Cb 0.00 -0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.14 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1d5g s ILE 52 N -2.00 1.34 0.00 0.55 1.01 -1.26 -5.11 121.20 115.73 1d5g s ILE 52 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1d5g s ILE 52 Cb 0.00 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.33 1d5g s ILE 52 CO 0.00 0.39 0.00 0.00 0.00 0.00 0.00 174.94 175.33 1d5g n HIS 53 N 3.06 -0.12 -1.68 3.97 1.44 -1.26 -4.83 115.22 115.79 1d5g n HIS 53 Ca -0.17 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.10 1d5g n HIS 53 Cb 0.53 0.00 -0.04 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 2.58 -1.06 -1.40 4.81 -1.26 -2.29 118.16 119.54 1d5g n LYS 54 Ca 0.00 0.94 -0.02 0.00 -0.87 0.00 0.00 58.31 58.36 1d5g n LYS 54 Cb 0.00 -2.80 -0.01 0.00 0.02 0.00 0.00 35.03 32.24 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 4.12 0.55 3.81 3.14 0.00 -0.62 -4.67 105.19 111.54 1d5g n GLY 55 Ca 0.19 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.57 5.94 -0.04 1.61 1.01 -0.97 -3.64 116.67 118.01 1d5g s ASP 56 Ca 0.00 1.73 0.02 0.00 0.71 0.00 0.00 52.55 55.01 1d5g s ASP 56 Cb 0.00 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.42 1d5g s ASP 56 CO 0.00 -1.06 -0.07 -0.13 0.21 0.00 0.00 175.17 174.12 1d5g s ARG 57 N -4.19 1.02 0.43 8.23 3.00 -0.51 -1.53 118.95 125.39 1d5g s ARG 57 Ca 0.62 -0.21 -0.14 0.00 0.00 0.00 0.00 55.73 56.00 1d5g s ARG 57 Cb -0.14 -0.95 -0.08 0.00 0.00 0.00 0.00 34.95 33.78 1d5g s ARG 57 CO 0.38 -0.01 0.85 0.14 0.00 0.00 0.00 175.30 176.65 1d5g s VAL 58 N 0.68 4.65 0.00 3.52 -7.23 -1.23 0.12 120.40 120.90 1d5g s VAL 58 Ca -0.10 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.02 1d5g s VAL 58 Cb -0.13 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1d5g s VAL 58 CO 0.01 -0.49 0.00 0.18 -0.31 0.00 0.00 175.10 174.49 1d5g n LEU 59 N -1.14 0.00 -4.89 1.32 4.32 0.51 -4.72 117.00 112.39 1d5g n LEU 59 Ca 0.04 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.68 1d5g n LEU 59 Cb 0.54 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.29 1d5g n LEU 59 CO 0.45 0.00 -0.14 0.00 -1.22 0.00 0.00 177.39 176.48 1d5g s ALA 60 N -2.04 3.91 -0.50 -1.18 0.00 -1.03 -1.36 121.76 119.56 1d5g s ALA 60 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1d5g s ALA 60 Cb 0.00 -1.95 0.13 0.00 0.00 0.00 0.00 23.12 21.29 1d5g s ALA 60 CO 0.00 0.68 0.24 0.08 0.00 0.00 0.00 175.76 176.76 1d5g s VAL 61 N -1.21 2.54 -0.93 0.00 1.01 0.23 -1.38 120.40 120.66 1d5g s VAL 61 Ca 0.23 -3.22 -0.06 0.00 0.00 0.00 0.00 61.98 58.93 1d5g s VAL 61 Cb -0.13 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1d5g s VAL 61 CO 0.13 -0.78 0.80 -3.20 0.00 0.00 0.00 175.10 172.04 1d5g n ASN 62 N 3.22 -6.79 0.00 3.32 2.85 -0.05 -3.62 115.26 114.18 1d5g n ASN 62 Ca 0.05 -0.53 0.00 0.00 -0.11 0.00 0.00 54.58 53.99 1d5g n ASN 62 Cb 0.33 -4.76 0.00 0.00 1.24 0.00 0.00 39.78 36.59 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 -1.53 2.40 3.74 8.20 0.00 -1.26 -5.02 105.19 111.71 1d5g n GLY 63 Ca -0.06 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 4.72 -0.09 1.61 -7.23 -1.24 -4.88 120.40 113.30 1d5g s VAL 64 Ca 0.00 1.71 -0.30 0.00 -1.81 0.00 0.00 61.98 61.58 1d5g s VAL 64 Cb 0.00 -4.15 -0.02 0.00 0.56 0.00 0.00 36.38 32.77 1d5g s VAL 64 CO 0.00 0.34 1.10 -0.55 -0.31 0.00 0.00 175.10 175.68 1d5g s SER 65 N 0.06 7.14 -0.23 4.85 0.15 -1.26 -0.60 113.70 123.81 1d5g s SER 65 Ca 0.40 1.66 -0.04 0.00 0.70 0.00 0.00 55.95 58.68 1d5g s SER 65 Cb -0.21 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1d5g s SER 65 CO 0.24 -0.53 2.89 -0.11 1.20 0.00 0.00 173.24 176.94 1d5g n LEU 66 N 5.19 5.92 -4.74 3.45 7.94 -0.46 -4.88 117.00 129.42 1d5g n LEU 66 Ca 0.10 -3.48 -0.41 0.00 -1.11 0.00 0.00 56.01 51.11 1d5g n LEU 66 Cb 0.47 -1.26 -0.03 0.00 0.53 0.00 0.00 43.42 43.13 1d5g n LEU 66 CO 0.54 1.58 0.96 -1.61 -1.11 0.00 0.00 177.39 177.75 1d5g s GLU 67 N -0.60 4.41 0.00 1.96 2.02 -1.26 -3.89 118.70 121.34 1d5g s GLU 67 Ca 0.52 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.54 1d5g s GLU 67 Cb 0.30 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 31.34 1d5g s GLU 67 CO -0.09 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.38 1d5g n GLY 68 N 2.23 1.57 3.75 -1.39 0.00 -1.26 -5.05 105.19 105.04 1d5g n GLY 68 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.44 3.38 0.61 4.61 0.00 -1.25 -5.07 121.76 121.60 1d5g s ALA 69 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.79 1d5g s ALA 69 Cb 0.00 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.88 1d5g s ALA 69 CO 0.00 -0.10 0.85 0.95 0.00 0.00 0.00 175.76 177.46 1d5g s THR 70 N -0.83 2.41 0.27 0.00 -4.23 -1.26 -4.73 115.64 107.27 1d5g s THR 70 Ca 0.45 -0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 60.25 1d5g s THR 70 Cb -0.30 -2.73 0.22 0.00 1.34 0.00 0.00 72.50 71.03 1d5g s THR 70 CO 0.37 0.00 1.90 -0.74 -0.54 0.00 0.00 174.62 175.61 1d5g h HIS 71 N -0.13 1.06 0.00 3.99 2.76 -1.67 -0.10 115.15 121.06 1d5g h HIS 71 Ca -0.38 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 57.67 1d5g h HIS 71 Cb 1.28 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 1d5g h HIS 71 CO 0.16 0.73 -0.45 -0.22 -1.30 0.00 0.00 177.93 176.85 1d5g h LYS 72 N 1.08 0.00 0.15 5.26 3.64 -1.95 -0.61 116.57 124.14 1d5g h LYS 72 Ca 0.27 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.38 1d5g h LYS 72 Cb 0.03 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1d5g h LYS 72 CO -0.04 0.45 -1.18 1.96 -2.27 0.00 0.00 179.45 178.37 1d5g h GLN 73 N 0.00 0.54 -0.78 1.90 1.08 -1.83 -3.16 115.11 112.86 1d5g h GLN 73 Ca -0.00 -0.78 -0.05 0.00 -1.45 0.00 0.00 58.65 56.37 1d5g h GLN 73 Cb 0.95 0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 28.62 1d5g h GLN 73 CO 0.06 1.35 0.29 0.00 -0.95 0.00 0.00 178.83 179.58 1d5g h ALA 74 N 0.22 1.02 -0.36 3.87 0.00 -0.91 -2.14 119.26 120.96 1d5g h ALA 74 Ca -0.19 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1d5g h ALA 74 Cb 1.88 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1d5g h ALA 74 CO 0.22 0.67 0.02 -0.24 0.00 0.00 0.00 179.25 179.92 1d5g h VAL 75 N 1.15 1.25 -0.21 0.00 3.04 -1.23 -3.12 116.25 117.14 1d5g h VAL 75 Ca 0.26 -0.94 -0.04 0.00 -1.01 0.00 0.00 66.70 64.98 1d5g h VAL 75 Cb 0.25 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 1d5g h VAL 75 CO -0.02 0.31 -0.00 -0.08 -1.01 0.00 0.00 177.57 176.77 1d5g h GLU 76 N 0.45 0.38 -0.23 4.17 4.57 -1.50 -1.00 114.58 121.42 1d5g h GLU 76 Ca 0.11 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 1d5g h GLU 76 Cb 0.43 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1d5g h GLU 76 CO 0.01 0.58 -0.10 1.79 -1.18 0.00 0.00 179.01 180.11 1d5g h THR 77 N 0.14 1.20 0.00 0.32 1.35 -1.48 -0.47 112.91 113.96 1d5g h THR 77 Ca 0.06 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1d5g h THR 77 Cb 0.41 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1d5g h THR 77 CO 0.01 0.27 -1.04 0.18 -0.25 0.00 0.00 175.52 174.69 1d5g n LEU 78 N -4.26 0.64 0.00 3.87 4.77 -1.18 -4.16 117.00 116.68 1d5g n LEU 78 Ca 0.00 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1d5g n LEU 78 Cb 0.28 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1d5g n LEU 78 CO 0.39 -0.04 0.29 0.03 -1.33 0.00 0.00 177.39 176.72 1d5g h ARG 79 N 0.00 -0.12 -3.00 3.23 3.08 -0.92 -3.39 114.38 113.26 1d5g h ARG 79 Ca 0.00 0.01 -0.76 0.00 0.07 0.00 0.00 59.98 59.30 1d5g h ARG 79 Cb 0.83 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 30.75 1d5g h ARG 79 CO 0.00 0.32 1.99 0.09 -1.07 0.00 0.00 179.97 181.31 1d5g n ASN 80 N -4.82 6.58 -0.07 7.04 4.13 -0.21 -4.45 115.26 123.46 1d5g n ASN 80 Ca -0.06 -3.19 -0.05 0.00 1.68 0.00 0.00 54.58 52.95 1d5g n ASN 80 Cb 0.25 -1.39 -0.03 0.00 -1.54 0.00 0.00 39.78 37.07 1d5g n ASN 80 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1d5g h THR 81 N 3.14 0.17 0.00 3.41 1.35 -1.77 -3.46 112.91 115.75 1d5g h THR 81 Ca 0.51 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1d5g h THR 81 Cb 0.47 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1d5g h THR 81 CO 1.51 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 177.45 1d5g n GLY 82 N 1.65 0.19 0.12 5.82 0.00 -1.26 -4.78 105.19 106.92 1d5g n GLY 82 Ca -0.08 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 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 0.31 -5.90 1.61 5.75 -1.99 -3.40 115.11 111.50 1d5g h GLN 83 Ca 0.00 -0.54 -0.67 0.00 -0.15 0.00 0.00 58.65 57.29 1d5g h GLN 83 Cb 0.00 0.20 -0.12 0.00 1.07 0.00 0.00 27.48 28.63 1d5g h GLN 83 CO 0.00 1.26 -0.58 0.54 -2.65 0.00 0.00 178.83 177.40 1d5g s VAL 84 N -2.46 4.67 -0.34 2.39 0.11 -1.26 -0.32 120.40 123.20 1d5g s VAL 84 Ca -0.14 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 58.77 1d5g s VAL 84 Cb 0.02 -3.01 0.10 0.00 -1.53 0.00 0.00 36.38 31.95 1d5g s VAL 84 CO 0.83 0.56 0.04 -0.69 -3.33 0.00 0.00 175.10 172.52 1d5g s VAL 85 N -0.97 2.32 -0.23 2.04 1.01 -0.70 -4.87 120.40 118.99 1d5g s VAL 85 Ca 0.15 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 59.87 1d5g s VAL 85 Cb -0.12 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1d5g s VAL 85 CO 0.05 -0.55 -0.11 -1.00 0.00 0.00 0.00 175.10 173.49 1d5g s HIS 86 N 0.93 3.05 0.07 5.22 3.76 -1.26 -0.54 115.29 126.51 1d5g s HIS 86 Ca 0.09 -1.78 -0.11 0.00 -0.15 0.00 0.00 55.06 53.11 1d5g s HIS 86 Cb -0.19 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.52 1d5g s HIS 86 CO -0.08 -0.79 0.24 -0.48 -0.85 0.00 0.00 174.74 172.79 1d5g s LEU 87 N 1.26 1.15 0.05 0.89 2.34 -0.72 -0.87 118.68 122.77 1d5g s LEU 87 Ca -0.01 -0.41 0.09 0.00 0.06 0.00 0.00 54.13 53.86 1d5g s LEU 87 Cb -0.17 1.19 -0.03 0.00 -0.56 0.00 0.00 46.19 46.62 1d5g s LEU 87 CO -0.07 -0.66 -0.25 -0.76 -1.06 0.00 0.00 176.35 173.55 1d5g s LEU 88 N -2.42 2.17 0.05 1.48 1.02 -0.48 -0.87 118.68 119.64 1d5g s LEU 88 Ca -0.01 -0.58 -0.01 0.00 0.02 0.00 0.00 54.13 53.55 1d5g s LEU 88 Cb 0.01 -1.23 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 1d5g s LEU 88 CO -0.07 0.24 -0.03 -0.76 0.02 0.00 0.00 176.35 175.74 1d5g s LEU 89 N -1.25 2.47 -0.20 1.79 1.02 0.34 -0.36 118.68 122.49 1d5g s LEU 89 Ca 0.11 -0.95 -0.05 0.00 0.02 0.00 0.00 54.13 53.25 1d5g s LEU 89 Cb -0.10 0.16 -0.03 0.00 0.02 0.00 0.00 46.19 46.25 1d5g s LEU 89 CO 0.02 -0.56 0.01 -0.70 0.02 0.00 0.00 176.35 175.14 1d5g s GLU 90 N -3.68 3.66 0.41 1.70 2.12 0.12 -0.47 118.70 122.57 1d5g s GLU 90 Ca 0.05 -0.50 -0.23 0.00 0.36 0.00 0.00 54.97 54.65 1d5g s GLU 90 Cb 0.06 -3.09 -0.09 0.00 0.26 0.00 0.00 34.13 31.27 1d5g s GLU 90 CO -0.09 0.05 1.06 0.21 -0.54 0.00 0.00 175.26 175.96 1d5g s LYS 91 N 0.91 4.08 0.00 4.30 2.20 -0.35 -1.43 119.74 129.45 1d5g s LYS 91 Ca 0.01 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 1d5g s LYS 91 Cb -0.14 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1d5g s LYS 91 CO 0.02 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1d5g n GLY 92 N 0.29 0.08 3.88 5.54 0.00 -1.24 -4.41 105.19 109.33 1d5g n GLY 92 Ca 0.06 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1d5g n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d5g s GLN 93 N 0.00 3.71 0.26 1.61 -0.21 -1.26 -4.20 119.66 119.57 1d5g s GLN 93 Ca 0.00 0.09 -0.29 0.00 0.02 0.00 0.00 55.36 55.18 1d5g s GLN 93 Cb 0.00 -2.94 -0.09 0.00 1.00 0.00 0.00 33.01 30.98 1d5g s GLN 93 CO 0.00 0.52 0.94 -1.12 -2.12 0.00 0.00 175.29 173.52 1d5g s SER 94 N -1.99 7.58 0.06 5.90 0.01 -1.26 -4.98 113.70 119.02 1d5g s SER 94 Ca 0.36 1.93 -0.21 0.00 1.31 0.00 0.00 55.95 59.34 1d5g s SER 94 Cb -0.13 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.37 1d5g s SER 94 CO 0.20 0.11 1.49 -0.65 0.41 0.00 0.00 173.24 174.80 1d5g h PRO 95 N 3.93 0.26 0.00 12.44 0.11 -2.01 -3.54 132.00 143.18 1d5g h PRO 95 Ca -0.45 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1d5g h PRO 95 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1d5g h PRO 95 CO 0.67 0.48 0.00 -2.37 -0.21 0.00 0.00 178.00 176.58