#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 2.66 0.25 -0.52 -2.85 -1.26 -4.93 119.74 113.09 1d5g s LYS 2 Ca 0.00 0.64 0.24 0.00 -1.00 0.00 0.00 55.97 55.85 1d5g s LYS 2 Cb 0.00 -1.98 0.96 0.00 -2.06 0.00 0.00 37.83 34.75 1d5g s LYS 2 CO 0.00 -1.21 1.72 -0.35 0.10 0.00 0.00 175.35 175.60 1d5g n PRO 3 N -3.16 0.20 -3.46 1.78 -0.04 -1.26 -3.06 135.00 126.00 1d5g n PRO 3 Ca 0.07 0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 63.51 1d5g n PRO 3 Cb 0.56 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 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 -3.55 3.10 0.67 0.55 0.00 -1.26 -5.04 107.32 101.79 1d5g s GLY 4 Ca 0.05 -3.78 -0.09 0.00 0.00 0.00 0.00 44.72 40.89 1d5g s GLY 4 CO 0.41 1.27 0.91 2.09 0.00 0.00 0.00 173.10 177.78 1d5g n ASP 5 N 2.70 0.27 -4.76 1.64 5.75 -1.17 -4.28 116.55 116.71 1d5g n ASP 5 Ca 0.21 -1.45 -0.39 0.00 -0.01 0.00 0.00 54.79 53.15 1d5g n ASP 5 Cb 0.39 -0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 39.74 1d5g n ASP 5 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1d5g s ILE 6 N -2.91 5.00 0.12 2.12 1.09 -1.26 -1.36 121.20 124.00 1d5g s ILE 6 Ca 0.53 1.16 0.04 0.00 -1.10 0.00 0.00 60.65 61.28 1d5g s ILE 6 Cb -0.02 -3.89 -0.04 0.00 -1.06 0.00 0.00 42.46 37.45 1d5g s ILE 6 CO 0.37 0.40 -0.09 0.72 -0.10 0.00 0.00 174.94 176.23 1d5g s PHE 7 N 0.00 1.13 -0.03 3.97 -0.71 0.34 -4.99 117.98 117.70 1d5g s PHE 7 Ca 0.30 -0.76 0.06 0.00 -1.04 0.00 0.00 56.93 55.49 1d5g s PHE 7 Cb -0.17 -0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 41.01 1d5g s PHE 7 CO 0.15 0.01 -0.21 -1.83 -1.34 0.00 0.00 175.22 172.00 1d5g s GLU 8 N -3.49 2.25 -0.06 1.99 -1.05 -1.26 -1.27 118.70 115.81 1d5g s GLU 8 Ca 0.13 -0.85 -0.03 0.00 -0.15 0.00 0.00 54.97 54.07 1d5g s GLU 8 Cb 0.02 -2.17 -0.04 0.00 -0.44 0.00 0.00 34.13 31.50 1d5g s GLU 8 CO -0.01 0.58 0.12 0.14 0.95 0.00 0.00 175.26 177.04 1d5g s VAL 9 N -0.67 5.12 -0.56 1.83 -7.23 -0.45 -5.00 120.40 113.45 1d5g s VAL 9 Ca 0.11 -0.11 0.05 0.00 -1.81 0.00 0.00 61.98 60.22 1d5g s VAL 9 Cb -0.10 -3.29 0.20 0.00 0.56 0.00 0.00 36.38 33.74 1d5g s VAL 9 CO -0.00 0.47 0.51 -0.62 -0.31 0.00 0.00 175.10 175.15 1d5g n GLU 10 N 1.53 1.37 -4.10 4.82 1.02 -1.26 -2.55 120.64 121.47 1d5g n GLU 10 Ca -0.16 -3.98 -0.25 0.00 -0.02 0.00 0.00 57.16 52.76 1d5g n GLU 10 Cb 0.54 -1.95 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 1d5g n GLU 10 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1d5g s LEU 11 N -1.24 3.06 0.10 -4.62 2.96 0.36 -4.97 118.68 114.33 1d5g s LEU 11 Ca 0.32 -1.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.06 1d5g s LEU 11 Cb 0.05 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 1d5g s LEU 11 CO -0.13 -0.61 0.16 0.00 -1.32 0.00 0.00 176.35 174.44 1d5g s ALA 12 N -2.62 0.03 -0.25 5.97 0.00 -1.26 -0.57 121.76 123.06 1d5g s ALA 12 Ca 0.39 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 1d5g s ALA 12 Cb 0.03 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1d5g s ALA 12 CO 0.22 -0.51 1.72 0.21 0.00 0.00 0.00 175.76 177.40 1d5g s LYS 13 N -3.90 3.61 0.00 0.00 2.20 0.85 -4.85 119.74 117.64 1d5g s LYS 13 Ca 0.09 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1d5g s LYS 13 Cb 0.05 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 1d5g s LYS 13 CO -0.08 -1.52 0.00 0.27 -0.36 0.00 0.00 175.35 173.66 1d5g n ASN 14 N 9.22 0.00 0.04 1.43 0.23 -1.26 -4.90 115.26 120.03 1d5g n ASN 14 Ca 0.21 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 54.05 1d5g n ASN 14 Cb 0.46 -0.01 -0.14 0.00 -2.08 0.00 0.00 39.78 38.00 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 0.46 -3.95 0.53 3.58 -1.96 -3.49 116.42 111.60 1d5g h ASP 15 Ca 0.00 -0.91 -0.32 0.00 0.42 0.00 0.00 57.03 56.22 1d5g h ASP 15 Cb 0.00 -0.15 -0.08 0.00 1.72 0.00 0.00 39.33 40.82 1d5g h ASP 15 CO 0.00 1.51 -0.27 -3.20 -2.88 0.00 0.00 179.24 174.39 1d5g n ASN 16 N -4.02 -0.76 0.00 2.28 2.85 -1.26 -5.04 115.26 109.31 1d5g n ASN 16 Ca -0.18 -2.64 0.00 0.00 -0.11 0.00 0.00 54.58 51.65 1d5g n ASN 16 Cb 0.87 1.58 0.00 0.00 1.24 0.00 0.00 39.78 43.48 1d5g n ASN 16 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1d5g n SER 17 N -1.88 0.00 0.00 1.20 2.88 -1.26 -4.38 113.62 110.19 1d5g n SER 17 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1d5g n SER 17 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1d5g n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1d5g n LEU 18 N -0.46 0.00 0.00 2.46 4.32 -1.26 -4.55 117.00 117.51 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 4.08 0.87 3.33 -0.72 0.00 -1.26 -0.95 105.19 110.54 1d5g n GLY 19 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.86 0.26 0.06 -0.61 2.07 -1.26 -3.99 121.20 115.87 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 -2.50 -0.03 0.00 0.13 0.00 0.00 42.46 40.06 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 -3.37 3.00 0.34 4.50 1.04 -0.48 -4.82 113.70 113.91 1d5g s SER 21 Ca 0.36 -0.60 0.07 0.00 0.48 0.00 0.00 55.95 56.25 1d5g s SER 21 Cb 0.05 -0.25 -0.07 0.00 0.10 0.00 0.00 66.02 65.85 1d5g s SER 21 CO 0.19 0.22 -0.02 -0.69 0.98 0.00 0.00 173.24 173.91 1d5g s VAL 22 N -0.86 1.73 -0.42 5.02 1.01 -1.26 -0.87 120.40 124.75 1d5g s VAL 22 Ca 0.11 -2.07 0.08 0.00 0.00 0.00 0.00 61.98 60.10 1d5g s VAL 22 Cb -0.10 -2.72 0.27 0.00 0.00 0.00 0.00 36.38 33.84 1d5g s VAL 22 CO 0.03 -0.13 0.60 1.07 0.00 0.00 0.00 175.10 176.67 1d5g n THR 23 N -0.75 -0.10 -2.88 3.92 5.66 -1.19 -4.66 114.28 114.29 1d5g n THR 23 Ca -0.04 -4.33 0.00 0.00 -3.05 0.00 0.00 64.05 56.63 1d5g n THR 23 Cb 0.65 -1.61 0.00 0.00 -1.55 0.00 0.00 70.33 67.82 1d5g n THR 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1d5g n GLY 24 N 1.05 0.34 0.53 1.09 0.00 -1.26 -4.85 105.19 102.09 1d5g n GLY 24 Ca 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.05 0.00 -0.02 0.00 -1.26 -4.43 105.19 98.43 1d5g n GLY 25 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1d5g n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1d5g n VAL 26 N 0.25 0.00 -0.06 1.61 0.31 -1.26 -3.72 118.33 115.47 1d5g n VAL 26 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1d5g n VAL 26 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1d5g n VAL 26 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1d5g n ASN 27 N 0.00 1.35 -3.66 4.52 0.23 -1.26 -4.36 115.26 112.08 1d5g n ASN 27 Ca 0.00 0.44 -0.30 0.00 -0.53 0.00 0.00 54.58 54.20 1d5g n ASN 27 Cb 0.00 -0.74 -0.15 0.00 -2.08 0.00 0.00 39.78 36.81 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 -2.06 0.65 0.00 5.53 -1.32 -1.26 -3.83 115.64 113.35 1d5g s THR 28 Ca -0.14 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 1d5g s THR 28 Cb 0.02 -1.50 0.00 0.00 -1.51 0.00 0.00 72.50 69.51 1d5g s THR 28 CO 0.21 -0.74 0.00 -1.54 -2.21 0.00 0.00 174.62 170.34 1d5g n SER 29 N 4.72 0.00 -0.02 8.08 3.41 -1.26 -4.93 113.62 123.62 1d5g n SER 29 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.48 1d5g n SER 29 Cb 0.41 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.35 -1.80 -3.33 3.04 -1.92 -3.47 116.25 110.11 1d5g h VAL 30 Ca 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.16 1d5g h VAL 30 Cb 0.00 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1d5g h VAL 30 CO 0.00 0.37 0.00 0.54 -1.01 0.00 0.00 177.57 177.47 1d5g n ARG 31 N -4.79 0.25 -2.09 4.17 1.74 -1.26 -5.03 116.66 109.64 1d5g n ARG 31 Ca -0.09 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.58 1d5g n ARG 31 Cb 0.32 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.76 1d5g n ARG 31 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1d5g n HIS 32 N 0.00 2.88 0.00 -1.55 1.44 -1.26 -4.34 115.22 112.39 1d5g n HIS 32 Ca 0.00 -2.84 0.00 0.00 -2.01 0.00 0.00 57.72 52.87 1d5g n HIS 32 Cb 0.00 -2.04 0.00 0.00 0.12 0.00 0.00 29.99 28.07 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 2.76 3.86 0.00 -1.39 0.00 -1.25 -3.11 105.19 106.06 1d5g n GLY 33 Ca 0.50 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.56 2.31 3.14 -0.02 0.00 -1.26 -4.94 105.19 103.86 1d5g n GLY 34 Ca 0.00 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.52 0.85 -0.12 -0.61 -1.09 -1.05 -4.64 121.20 112.03 1d5g s ILE 35 Ca 0.00 -1.38 0.02 0.00 -2.23 0.00 0.00 60.65 57.06 1d5g s ILE 35 Cb 0.00 -1.05 0.01 0.00 -1.58 0.00 0.00 42.46 39.84 1d5g s ILE 35 CO 0.00 -0.42 -0.17 -0.47 -1.23 0.00 0.00 174.94 172.65 1d5g s TYR 36 N -1.83 2.17 0.18 3.97 6.14 -1.26 -1.38 117.35 125.34 1d5g s TYR 36 Ca -0.01 -1.06 -0.30 0.00 0.64 0.00 0.00 57.07 56.33 1d5g s TYR 36 Cb -0.07 -1.54 -0.08 0.00 0.42 0.00 0.00 41.96 40.69 1d5g s TYR 36 CO 0.01 -0.53 1.15 0.08 0.64 0.00 0.00 175.55 176.90 1d5g s VAL 37 N 0.99 3.72 -0.03 3.14 1.01 -0.61 -3.16 120.40 125.46 1d5g s VAL 37 Ca -0.06 1.46 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 1d5g s VAL 37 Cb -0.15 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1d5g s VAL 37 CO -0.03 0.24 -0.04 1.17 0.00 0.00 0.00 175.10 176.44 1d5g n LYS 38 N 2.46 0.09 -3.54 2.72 4.81 -0.05 -2.15 118.16 122.50 1d5g n LYS 38 Ca 0.04 0.26 -0.12 0.00 -0.87 0.00 0.00 58.31 57.61 1d5g n LYS 38 Cb 0.45 -0.89 -0.04 0.00 0.02 0.00 0.00 35.03 34.57 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 -2.95 -1.32 -0.05 3.14 0.00 -1.06 -4.28 121.76 115.23 1d5g s ALA 39 Ca -0.03 0.41 -0.21 0.00 0.00 0.00 0.00 51.96 52.12 1d5g s ALA 39 Cb 0.00 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1d5g s ALA 39 CO 0.05 -0.62 0.62 0.54 0.00 0.00 0.00 175.76 176.35 1d5g s VAL 40 N -3.19 5.01 -0.12 0.00 0.11 -1.26 -1.38 120.40 119.57 1d5g s VAL 40 Ca -0.01 1.28 -0.25 0.00 -2.93 0.00 0.00 61.98 60.07 1d5g s VAL 40 Cb -0.00 -3.96 -0.02 0.00 -1.53 0.00 0.00 36.38 30.87 1d5g s VAL 40 CO -0.08 0.33 0.81 -0.63 -3.33 0.00 0.00 175.10 172.20 1d5g s ILE 41 N 0.38 4.93 -0.04 7.04 -1.09 -1.26 -4.92 121.20 126.24 1d5g s ILE 41 Ca 0.33 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 1d5g s ILE 41 Cb -0.17 -4.13 0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1d5g s ILE 41 CO 0.16 0.11 1.53 -0.81 -1.23 0.00 0.00 174.94 174.70 1d5g n PRO 42 N 4.67 1.11 -3.08 2.79 -0.04 -1.26 -3.90 135.00 135.28 1d5g n PRO 42 Ca 0.03 -0.24 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 1d5g n PRO 42 Cb 0.50 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.84 0.88 -3.79 0.54 6.02 -1.26 -5.00 117.38 115.60 1d5g n GLN 43 Ca 0.05 -2.96 0.00 0.00 -0.01 0.00 0.00 57.00 54.08 1d5g n GLN 43 Cb 0.55 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.80 -0.21 0.21 1.08 0.00 -1.25 -4.80 107.32 100.55 1d5g s GLY 44 Ca 0.35 0.24 -0.05 0.00 0.00 0.00 0.00 44.72 45.26 1d5g s GLY 44 CO -0.10 2.10 1.63 0.00 0.00 0.00 0.00 173.10 176.74 1d5g h ALA 45 N 2.00 0.88 -0.40 3.20 0.00 -1.28 -1.62 119.26 122.03 1d5g h ALA 45 Ca -0.27 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.36 1d5g h ALA 45 Cb 1.20 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1d5g h ALA 45 CO 0.30 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 180.15 1d5g h ALA 46 N 1.07 0.34 0.14 0.00 0.00 -1.80 -0.13 119.26 118.89 1d5g h ALA 46 Ca 0.10 0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.85 1d5g h ALA 46 Cb 0.71 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1d5g h ALA 46 CO 0.05 -0.41 -1.31 1.49 0.00 0.00 0.00 179.25 179.08 1d5g h GLU 47 N 0.07 0.31 0.12 0.00 4.22 -1.81 -1.81 114.58 115.68 1d5g h GLU 47 Ca 0.20 -0.52 -0.00 0.00 0.08 0.00 0.00 59.36 59.11 1d5g h GLU 47 Cb 0.29 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1d5g h GLU 47 CO -0.36 1.24 -0.08 0.77 -2.18 0.00 0.00 179.01 178.40 1d5g h SER 48 N 0.08 -0.20 0.08 1.04 0.02 -0.98 -3.12 113.55 110.47 1d5g h SER 48 Ca -0.16 0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.54 1d5g h SER 48 Cb 2.00 0.06 0.02 0.00 0.14 0.00 0.00 62.40 64.63 1d5g h SER 48 CO 0.21 -0.13 -1.07 -0.78 -1.14 0.00 0.00 176.83 173.91 1d5g h ASP 49 N -0.20 0.81 -2.28 3.07 3.58 -1.18 -3.49 116.42 116.72 1d5g h ASP 49 Ca -0.01 -0.81 0.00 0.00 0.42 0.00 0.00 57.03 56.64 1d5g h ASP 49 Cb 0.17 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1d5g h ASP 49 CO 0.00 1.52 0.00 0.61 -2.88 0.00 0.00 179.24 178.50 1d5g n GLY 50 N 1.30 0.29 0.00 -0.78 0.00 -0.69 -5.04 105.19 100.26 1d5g n GLY 50 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.89 4.86 -4.23 1.61 0.63 -1.13 -5.05 116.66 112.46 1d5g n ARG 51 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1d5g n ARG 51 Cb 0.38 -0.56 -0.11 0.00 0.45 0.00 0.00 32.46 32.62 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 -0.32 1.31 0.32 5.15 1.09 -1.26 -5.12 121.20 122.38 1d5g s ILE 52 Ca 0.00 -1.68 0.07 0.00 -1.10 0.00 0.00 60.65 57.94 1d5g s ILE 52 Cb 0.00 -1.49 -0.03 0.00 -1.06 0.00 0.00 42.46 39.88 1d5g s ILE 52 CO 0.00 -0.40 0.27 -1.38 -0.10 0.00 0.00 174.94 173.33 1d5g s HIS 53 N -2.06 1.74 0.33 3.97 -3.43 -1.26 -4.83 115.29 109.74 1d5g s HIS 53 Ca 0.08 -1.65 -0.29 0.00 -0.80 0.00 0.00 55.06 52.40 1d5g s HIS 53 Cb -0.05 -0.71 -0.12 0.00 -1.43 0.00 0.00 32.58 30.27 1d5g s HIS 53 CO 0.03 -0.86 1.45 0.36 -2.00 0.00 0.00 174.74 173.72 1d5g n LYS 54 N -0.61 2.43 -1.15 -0.38 -0.00 -1.26 -3.02 118.16 114.18 1d5g n LYS 54 Ca 0.07 0.86 -0.05 0.00 -0.00 0.00 0.00 58.31 59.19 1d5g n LYS 54 Cb 0.62 -2.55 -0.02 0.00 -0.00 0.00 0.00 35.03 33.09 1d5g n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d5g n GLY 55 N 1.20 0.77 3.89 2.58 0.00 -0.92 -4.91 105.19 107.81 1d5g n GLY 55 Ca 0.05 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.90 5.92 -0.10 1.61 1.01 -1.17 -3.83 116.67 117.22 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 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.82 1d5g s ASP 56 CO 0.00 -0.95 -0.12 -0.60 0.21 0.00 0.00 175.17 173.72 1d5g s ARG 57 N -5.07 1.85 0.13 8.23 3.52 -0.54 -1.58 118.95 125.49 1d5g s ARG 57 Ca 0.54 -0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 55.64 1d5g s ARG 57 Cb -0.11 -1.68 -0.06 0.00 -1.56 0.00 0.00 34.95 31.54 1d5g s ARG 57 CO 0.49 -0.13 0.43 0.14 -0.81 0.00 0.00 175.30 175.42 1d5g s VAL 58 N 1.22 5.07 0.00 7.11 -7.23 -0.48 -0.38 120.40 125.72 1d5g s VAL 58 Ca -0.03 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 1d5g s VAL 58 Cb -0.14 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1d5g s VAL 58 CO -0.04 0.14 0.00 0.18 -0.31 0.00 0.00 175.10 175.07 1d5g n LEU 59 N 0.45 0.00 -4.88 1.32 4.32 0.01 -2.51 117.00 115.71 1d5g n LEU 59 Ca -0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.62 1d5g n LEU 59 Cb 0.52 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.27 1d5g n LEU 59 CO 0.45 0.00 0.06 0.00 -1.22 0.00 0.00 177.39 176.67 1d5g s ALA 60 N -2.00 3.75 -0.71 -1.18 0.00 -1.09 -4.55 121.76 115.98 1d5g s ALA 60 Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1d5g s ALA 60 Cb 0.00 -2.20 0.18 0.00 0.00 0.00 0.00 23.12 21.11 1d5g s ALA 60 CO 0.00 0.62 0.56 0.08 0.00 0.00 0.00 175.76 177.02 1d5g s VAL 61 N -1.56 4.18 -1.07 0.00 1.01 0.25 -1.81 120.40 121.39 1d5g s VAL 61 Ca 0.38 -3.03 -0.10 0.00 0.00 0.00 0.00 61.98 59.23 1d5g s VAL 61 Cb -0.13 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1d5g s VAL 61 CO 0.22 -0.94 0.88 -3.20 0.00 0.00 0.00 175.10 172.06 1d5g n ASN 62 N 3.37 -6.31 0.00 3.32 4.05 -0.77 -2.59 115.26 116.33 1d5g n ASN 62 Ca 0.11 -0.79 0.00 0.00 0.45 0.00 0.00 54.58 54.35 1d5g n ASN 62 Cb 0.39 -4.70 0.00 0.00 1.23 0.00 0.00 39.78 36.70 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 -1.36 2.80 3.54 8.20 0.00 -1.26 -5.02 105.19 112.09 1d5g n GLY 63 Ca -0.08 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.39 5.10 0.08 1.61 1.01 -1.07 -5.05 120.40 120.69 1d5g s VAL 64 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1d5g s VAL 64 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1d5g s VAL 64 CO 0.00 -0.20 1.04 -0.44 0.00 0.00 0.00 175.10 175.50 1d5g s SER 65 N 1.76 7.33 -1.21 3.32 0.01 -1.26 -0.58 113.70 123.07 1d5g s SER 65 Ca 0.14 1.85 -0.11 0.00 1.31 0.00 0.00 55.95 59.14 1d5g s SER 65 Cb -0.16 -2.58 0.20 0.00 0.21 0.00 0.00 66.02 63.68 1d5g s SER 65 CO 0.13 -0.24 1.52 0.18 0.41 0.00 0.00 173.24 175.24 1d5g n LEU 66 N 3.30 5.76 -4.57 2.44 7.99 -1.26 -4.96 117.00 125.70 1d5g n LEU 66 Ca 0.05 -4.65 -0.39 0.00 -0.01 0.00 0.00 56.01 51.00 1d5g n LEU 66 Cb 0.49 -1.53 -0.03 0.00 -0.11 0.00 0.00 43.42 42.23 1d5g n LEU 66 CO 0.53 1.07 1.75 -1.83 -1.51 0.00 0.00 177.39 177.40 1d5g s GLU 67 N 0.48 2.67 -0.44 3.23 -1.05 -1.26 -2.29 118.70 120.03 1d5g s GLU 67 Ca 0.39 1.21 0.00 0.00 -0.15 0.00 0.00 54.97 56.42 1d5g s GLU 67 Cb 0.00 -4.41 0.00 0.00 -0.44 0.00 0.00 34.13 29.28 1d5g s GLU 67 CO 0.00 -2.65 0.00 0.41 0.95 0.00 0.00 175.26 173.97 1d5g n GLY 68 N 5.75 0.64 3.76 -3.83 0.00 -1.18 -4.99 105.19 105.34 1d5g n GLY 68 Ca 0.27 -0.25 -0.39 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 -1.88 3.29 0.95 4.61 0.00 -0.97 -4.91 121.76 122.85 1d5g s ALA 69 Ca 0.00 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 1d5g s ALA 69 Cb 0.00 -3.26 0.16 0.00 0.00 0.00 0.00 23.12 20.02 1d5g s ALA 69 CO 0.00 -0.02 1.18 0.95 0.00 0.00 0.00 175.76 177.88 1d5g s THR 70 N -1.34 1.94 0.29 0.00 -4.23 -1.26 -4.71 115.64 106.34 1d5g s THR 70 Ca 0.47 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.96 1d5g s THR 70 Cb -0.26 -2.81 0.24 0.00 1.34 0.00 0.00 72.50 71.01 1d5g s THR 70 CO 0.33 0.00 1.94 -0.74 -0.54 0.00 0.00 174.62 175.62 1d5g h HIS 71 N -1.61 1.02 -0.02 3.99 2.76 -1.76 0.22 115.15 119.75 1d5g h HIS 71 Ca -0.48 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 57.71 1d5g h HIS 71 Cb 1.30 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1d5g h HIS 71 CO -0.38 0.67 -0.03 -0.22 -1.30 0.00 0.00 177.93 176.67 1d5g h LYS 72 N 1.08 -0.04 -0.27 5.26 1.63 -1.93 -1.98 116.57 120.32 1d5g h LYS 72 Ca 0.29 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.90 1d5g h LYS 72 Cb -0.06 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1d5g h LYS 72 CO -0.06 -0.03 -0.57 0.37 -3.45 0.00 0.00 179.45 175.72 1d5g h GLN 73 N -0.04 0.84 -0.61 1.90 5.75 -1.83 -1.38 115.11 119.73 1d5g h GLN 73 Ca 0.02 -0.54 -0.03 0.00 -0.15 0.00 0.00 58.65 57.95 1d5g h GLN 73 Cb 0.08 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1d5g h GLN 73 CO -0.05 1.17 0.26 0.00 -2.65 0.00 0.00 178.83 177.56 1d5g h ALA 74 N 0.71 0.79 -0.21 3.38 0.00 -0.99 -1.12 119.26 121.83 1d5g h ALA 74 Ca 0.01 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1d5g h ALA 74 Cb 1.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1d5g h ALA 74 CO 0.12 0.39 -0.63 0.28 0.00 0.00 0.00 179.25 179.41 1d5g h VAL 75 N 0.85 1.29 -0.67 0.00 2.07 -1.33 -2.54 116.25 115.92 1d5g h VAL 75 Ca 0.21 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 65.92 1d5g h VAL 75 Cb 0.18 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1d5g h VAL 75 CO -0.02 0.59 0.44 -0.08 0.02 0.00 0.00 177.57 178.52 1d5g h GLU 76 N 0.56 0.73 -0.45 1.57 4.81 -1.14 0.03 114.58 120.69 1d5g h GLU 76 Ca -0.01 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1d5g h GLU 76 Cb 1.23 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1d5g h GLU 76 CO 0.13 0.48 -0.15 1.15 -0.73 0.00 0.00 179.01 179.90 1d5g h THR 77 N 0.75 1.27 0.00 0.32 2.02 -1.09 -2.38 112.91 113.81 1d5g h THR 77 Ca 0.27 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1d5g h THR 77 Cb 0.14 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1d5g h THR 77 CO -0.08 0.44 -0.05 -0.07 0.37 0.00 0.00 175.52 176.13 1d5g h LEU 78 N 0.74 0.00 -0.90 2.58 3.38 -0.99 -2.65 115.31 117.46 1d5g h LEU 78 Ca 0.11 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1d5g h LEU 78 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1d5g h LEU 78 CO 0.05 0.00 -0.36 0.03 0.09 0.00 0.00 178.44 178.25 1d5g h ARG 79 N 0.00 0.00 -3.62 1.13 3.08 -0.96 -3.36 114.38 110.65 1d5g h ARG 79 Ca 0.00 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.30 1d5g h ARG 79 Cb 0.97 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.87 1d5g h ARG 79 CO 0.00 0.36 2.04 -1.71 -1.07 0.00 0.00 179.97 179.59 1d5g n ASN 80 N -3.50 5.03 0.00 7.04 5.15 -0.90 -4.61 115.26 123.47 1d5g n ASN 80 Ca -0.00 -3.09 0.00 0.00 -0.60 0.00 0.00 54.58 50.89 1d5g n ASN 80 Cb 0.51 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 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 3.52 0.00 0.00 -0.44 -2.24 -1.26 -4.95 114.28 108.91 1d5g n THR 81 Ca 0.40 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1d5g n THR 81 Cb 0.37 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 2.66 0.58 0.08 3.38 0.00 -1.26 -4.63 105.19 106.01 1d5g n GLY 82 Ca 0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 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 0.02 -6.09 1.61 4.15 -1.99 -3.45 115.11 109.36 1d5g h GLN 83 Ca 0.00 -0.03 -0.65 0.00 0.77 0.00 0.00 58.65 58.74 1d5g h GLN 83 Cb 0.00 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 27.60 1d5g h GLN 83 CO 0.00 1.01 -0.59 0.54 -1.93 0.00 0.00 178.83 177.86 1d5g s VAL 84 N -2.27 4.60 -0.20 2.39 0.11 -1.26 -0.10 120.40 123.65 1d5g s VAL 84 Ca -0.22 -0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 1d5g s VAL 84 Cb -0.00 -3.14 0.06 0.00 -1.53 0.00 0.00 36.38 31.76 1d5g s VAL 84 CO 0.67 0.26 -0.01 -0.69 -3.33 0.00 0.00 175.10 172.00 1d5g s VAL 85 N -1.27 0.94 -0.23 2.04 1.01 0.26 -4.83 120.40 118.32 1d5g s VAL 85 Ca 0.25 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1d5g s VAL 85 Cb -0.12 -1.32 0.06 0.00 0.00 0.00 0.00 36.38 34.99 1d5g s VAL 85 CO 0.17 -0.13 -0.08 -1.00 0.00 0.00 0.00 175.10 174.06 1d5g s HIS 86 N 1.67 2.57 0.10 5.22 3.76 -1.26 -0.49 115.29 126.87 1d5g s HIS 86 Ca -0.02 -1.82 0.06 0.00 -0.15 0.00 0.00 55.06 53.12 1d5g s HIS 86 Cb -0.17 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 1d5g s HIS 86 CO -0.07 -0.79 -0.14 -0.51 -0.85 0.00 0.00 174.74 172.38 1d5g s LEU 87 N 1.34 2.36 -0.12 0.89 1.43 -1.06 -1.85 118.68 121.67 1d5g s LEU 87 Ca -0.05 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.33 1d5g s LEU 87 Cb -0.18 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1d5g s LEU 87 CO -0.06 -0.13 -0.22 -0.76 0.23 0.00 0.00 176.35 175.40 1d5g s LEU 88 N -2.22 2.08 0.06 1.79 2.01 -0.75 -1.34 118.68 120.31 1d5g s LEU 88 Ca 0.05 -0.57 -0.09 0.00 0.01 0.00 0.00 54.13 53.53 1d5g s LEU 88 Cb -0.06 -1.41 -0.00 0.00 0.01 0.00 0.00 46.19 44.73 1d5g s LEU 88 CO 0.03 0.11 0.18 -1.48 1.01 0.00 0.00 176.35 176.20 1d5g s LEU 89 N 0.63 1.44 -0.12 1.79 2.34 -0.40 -0.81 118.68 123.55 1d5g s LEU 89 Ca -0.12 -0.50 -0.04 0.00 0.06 0.00 0.00 54.13 53.53 1d5g s LEU 89 Cb -0.16 0.95 -0.04 0.00 -0.56 0.00 0.00 46.19 46.38 1d5g s LEU 89 CO 0.03 -0.62 0.03 -0.70 -1.06 0.00 0.00 176.35 174.03 1d5g s GLU 90 N -3.10 3.38 0.14 1.48 2.12 0.49 -0.51 118.70 122.71 1d5g s GLU 90 Ca -0.01 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 54.65 1d5g s GLU 90 Cb 0.01 -2.97 -0.08 0.00 0.26 0.00 0.00 34.13 31.35 1d5g s GLU 90 CO -0.07 0.55 1.33 0.15 -0.54 0.00 0.00 175.26 176.68 1d5g s LYS 91 N -0.44 4.37 0.00 4.30 1.02 -0.46 -1.46 119.74 127.06 1d5g s LYS 91 Ca 0.09 2.02 0.00 0.00 0.02 0.00 0.00 55.97 58.10 1d5g s LYS 91 Cb -0.12 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1d5g s LYS 91 CO 0.02 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 1d5g n GLY 92 N 2.98 -1.29 4.01 -3.33 0.00 -1.25 -4.56 105.19 101.76 1d5g n GLY 92 Ca 0.09 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.76 2.47 0.45 1.61 -0.21 -1.26 -4.63 119.66 117.33 1d5g s GLN 93 Ca 0.00 -1.55 -0.21 0.00 0.02 0.00 0.00 55.36 53.62 1d5g s GLN 93 Cb 0.00 -2.62 -0.09 0.00 1.00 0.00 0.00 33.01 31.30 1d5g s GLN 93 CO 0.00 -0.63 1.02 0.45 -2.12 0.00 0.00 175.29 174.02 1d5g s SER 94 N -4.51 6.57 0.81 5.90 0.15 -1.26 -5.05 113.70 116.30 1d5g s SER 94 Ca 0.57 1.92 -0.11 0.00 0.70 0.00 0.00 55.95 59.02 1d5g s SER 94 Cb -0.07 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.76 1d5g s SER 94 CO 0.35 -0.62 1.09 -2.16 1.20 0.00 0.00 173.24 173.10 1d5g s PRO 95 N -3.01 2.00 0.00 5.44 0.04 -1.26 -5.23 135.00 132.98 1d5g s PRO 95 Ca 0.64 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1d5g s PRO 95 Cb -0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1d5g s PRO 95 CO 0.21 -1.72 0.35 0.25 0.04 0.00 0.00 177.00 176.12