#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhh s TYR 3 N -2.17 -0.08 -0.10 0.00 1.13 -1.07 -5.02 117.35 110.04 1xhh s TYR 3 Ca 0.52 0.11 -0.01 0.00 -1.41 0.00 0.00 57.07 56.28 1xhh s TYR 3 Cb -0.11 0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.75 1xhh s TYR 3 CO 0.54 -0.31 -0.05 -0.06 -2.51 0.00 0.00 175.55 173.15 1xhh s PHE 4 N -1.19 2.98 -0.11 -3.49 0.40 -1.26 -2.42 117.98 112.88 1xhh s PHE 4 Ca -0.13 -0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1xhh s PHE 4 Cb -0.06 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.66 1xhh s PHE 4 CO 0.03 0.18 -0.19 0.42 0.70 0.00 0.00 175.22 176.35 1xhh s ILE 5 N -0.32 1.80 0.72 0.64 1.01 -0.34 -4.97 121.20 119.73 1xhh s ILE 5 Ca 0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1xhh s ILE 5 Cb -0.12 -1.60 0.03 0.00 0.01 0.00 0.00 42.46 40.78 1xhh s ILE 5 CO 0.02 0.50 1.26 -2.16 0.00 0.00 0.00 174.94 174.57 1xhh s PRO 6 N 0.74 2.13 0.55 2.79 0.04 -1.26 -0.33 135.00 139.66 1xhh s PRO 6 Ca -0.10 1.95 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 1xhh s PRO 6 Cb -0.16 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1xhh s PRO 6 CO 0.01 -1.89 1.37 -1.71 0.04 0.00 0.00 177.00 174.83 1xhh n ASN 7 N -2.52 2.74 -0.03 6.66 4.05 -1.26 -4.68 115.26 120.23 1xhh n ASN 7 Ca 0.15 0.98 0.00 0.00 0.45 0.00 0.00 54.58 56.16 1xhh n ASN 7 Cb 0.49 -1.58 0.00 0.00 1.23 0.00 0.00 39.78 39.92 1xhh n ASN 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xhh n GLN 8 N -1.02 1.02 -3.72 1.20 0.00 -1.26 -5.03 117.38 108.56 1xhh n GLN 8 Ca 0.10 -0.91 -0.14 0.00 0.00 0.00 0.00 57.00 56.06 1xhh n GLN 8 Cb 0.45 -0.69 -0.14 0.00 0.00 0.00 0.00 30.24 29.85 1xhh n GLN 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1xhh s SER 9 N -0.45 0.07 -0.24 2.61 0.01 -1.26 -4.97 113.70 109.46 1xhh s SER 9 Ca 0.01 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.68 1xhh s SER 9 Cb 0.01 0.27 0.45 0.00 0.21 0.00 0.00 66.02 66.96 1xhh s SER 9 CO 0.00 -0.18 1.50 -0.11 0.41 0.00 0.00 173.24 174.86 1xhh n LEU 10 N 4.52 4.97 -4.27 2.44 0.00 -1.26 -4.81 117.00 118.58 1xhh n LEU 10 Ca -0.21 -2.60 -0.37 0.00 0.00 0.00 0.00 56.01 52.84 1xhh n LEU 10 Cb 0.51 -0.69 0.05 0.00 0.00 0.00 0.00 43.42 43.30 1xhh n LEU 10 CO 0.13 0.74 -0.54 0.29 0.00 0.00 0.00 177.39 178.02 1xhh n LYS 11 N -0.26 0.08 -0.21 1.96 5.02 -1.26 -4.83 118.16 118.66 1xhh n LYS 11 Ca 0.32 0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.66 1xhh n LYS 11 Cb 1.13 -1.37 0.12 0.00 -0.02 0.00 0.00 35.03 34.88 1xhh n LYS 11 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1xhh h PRO 12 N -0.56 0.40 -0.09 1.97 0.10 -2.05 -3.36 132.00 128.41 1xhh h PRO 12 Ca -0.44 -0.02 -0.19 0.00 0.10 0.00 0.00 66.00 65.45 1xhh h PRO 12 Cb 1.36 -0.09 -0.20 0.00 0.10 0.00 0.00 31.00 32.17 1xhh h PRO 12 CO 0.36 0.27 -0.44 0.09 0.10 0.00 0.00 178.00 178.38 1xhh n ASN 13 N -5.00 -0.94 -4.03 -2.05 3.02 -1.26 -5.07 115.26 99.93 1xhh n ASN 13 Ca 0.09 -2.22 -0.14 0.00 -0.03 0.00 0.00 54.58 52.28 1xhh n ASN 13 Cb 0.29 0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 39.87 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xhh s GLU 14 N -0.59 1.34 -0.18 3.52 2.02 -1.26 -1.04 118.70 122.52 1xhh s GLU 14 Ca 0.14 -1.72 -0.04 0.00 0.02 0.00 0.00 54.97 53.37 1xhh s GLU 14 Cb 0.42 0.24 0.06 0.00 0.10 0.00 0.00 34.13 34.95 1xhh s GLU 14 CO -0.11 -0.44 0.06 0.00 0.02 0.00 0.00 175.26 174.79 1xhh s GLN 16 N 1.98 3.47 0.16 0.00 0.74 -1.26 -2.47 119.66 122.28 1xhh s GLN 16 Ca 0.01 -0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.33 1xhh s GLN 16 Cb -0.16 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.71 1xhh s GLN 16 CO -0.08 0.77 -0.01 0.34 -0.55 0.00 0.00 175.29 175.75 1xhh s ASP 17 N -1.01 1.22 0.24 6.67 2.15 -1.24 -4.50 116.67 120.20 1xhh s ASP 17 Ca 0.15 -1.14 0.00 0.00 0.43 0.00 0.00 52.55 51.99 1xhh s ASP 17 Cb -0.12 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 1xhh s ASP 17 CO 0.04 -0.54 0.00 0.18 -0.17 0.00 0.00 175.17 174.68 1xhh n LEU 18 N -0.21 0.00 -0.22 -1.34 4.77 -1.26 -2.51 117.00 116.23 1xhh n LEU 18 Ca -0.08 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.93 1xhh n LEU 18 Cb 0.63 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1xhh n LEU 18 CO 0.33 0.00 0.44 1.17 -1.33 0.00 0.00 177.39 178.00 1xhh n LYS 19 N 4.81 1.38 -1.40 3.23 3.00 -1.26 -4.67 118.16 123.24 1xhh n LYS 19 Ca 0.00 -1.27 0.01 0.00 -0.00 0.00 0.00 58.31 57.04 1xhh n LYS 19 Cb 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 35.03 33.93 1xhh n LYS 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xhh n GLY 20 N 0.08 0.89 3.58 3.14 0.00 -1.24 -4.73 105.19 106.91 1xhh n GLY 20 Ca 0.04 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1xhh n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhh s VAL 21 N -0.08 3.09 0.00 1.61 1.01 -1.04 -5.01 120.40 119.97 1xhh s VAL 21 Ca 0.24 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 60.13 1xhh s VAL 21 Cb 0.28 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1xhh s VAL 21 CO -0.12 -0.38 0.00 -0.24 0.00 0.00 0.00 175.10 174.36 1xhh n SER 22 N -0.80 0.00 -3.74 3.32 2.88 -1.26 -3.71 113.62 110.31 1xhh n SER 22 Ca -0.06 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.35 1xhh n SER 22 Cb 0.59 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.97 1xhh n SER 22 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1xhh s HIS 23 N 0.00 -0.23 0.43 0.66 3.76 -1.03 -4.97 115.29 113.91 1xhh s HIS 23 Ca 0.00 0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 55.03 1xhh s HIS 23 Cb 0.00 0.12 -0.10 0.00 1.11 0.00 0.00 32.58 33.71 1xhh s HIS 23 CO 0.00 -0.39 1.25 -0.35 -0.85 0.00 0.00 174.74 174.40 1xhh n PRO 24 N 1.37 1.86 -1.51 8.40 -0.04 -1.26 -0.84 135.00 142.98 1xhh n PRO 24 Ca -0.21 0.66 -0.30 0.00 -0.04 0.00 0.00 63.50 63.62 1xhh n PRO 24 Cb 0.56 -2.36 0.19 0.00 -0.04 0.00 0.00 33.50 31.85 1xhh n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xhh s LEU 25 N -1.65 1.80 -1.11 1.53 1.43 -0.20 -4.23 118.68 116.25 1xhh s LEU 25 Ca 0.62 0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 54.13 1xhh s LEU 25 Cb -0.51 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.04 1xhh s LEU 25 CO 0.57 -3.12 0.73 -3.20 0.23 0.00 0.00 176.35 171.56 1xhh n ASN 26 N -4.09 -4.94 -3.60 2.29 4.05 -1.22 -4.95 115.26 102.81 1xhh n ASN 26 Ca 0.11 -1.08 -0.06 0.00 0.45 0.00 0.00 54.58 54.00 1xhh n ASN 26 Cb 0.59 -2.59 -0.04 0.00 1.23 0.00 0.00 39.78 38.98 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1xhh s SER 27 N -3.40 -0.20 0.13 1.20 0.01 -1.26 -5.08 113.70 105.10 1xhh s SER 27 Ca 0.40 0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.85 1xhh s SER 27 Cb -0.18 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 1xhh s SER 27 CO 0.90 -0.23 -0.10 0.54 0.41 0.00 0.00 173.24 174.76 1xhh s VAL 28 N -1.59 1.06 -0.17 3.43 0.11 -1.26 -2.97 120.40 119.00 1xhh s VAL 28 Ca 0.05 -1.94 -0.07 0.00 -2.93 0.00 0.00 61.98 57.09 1xhh s VAL 28 Cb -0.01 -1.71 0.07 0.00 -1.53 0.00 0.00 36.38 33.21 1xhh s VAL 28 CO -0.04 -0.72 0.37 -1.66 -3.33 0.00 0.00 175.10 169.73 1xhh s TRP 29 N -3.15 -0.64 -0.41 1.54 -2.14 -1.04 -5.03 118.94 108.07 1xhh s TRP 29 Ca 0.13 1.30 0.01 0.00 2.66 0.00 0.00 56.10 60.20 1xhh s TRP 29 Cb 0.02 0.20 0.11 0.00 -3.10 0.00 0.00 33.47 30.70 1xhh s TRP 29 CO -0.00 -0.41 0.17 0.15 -2.66 0.00 0.00 176.95 174.20 1xhh s LYS 30 N 2.21 1.83 -0.81 3.25 1.02 -1.26 -2.70 119.74 123.28 1xhh s LYS 30 Ca -0.03 -2.02 -0.25 0.00 0.02 0.00 0.00 55.97 53.69 1xhh s LYS 30 Cb -0.11 -3.41 -0.08 0.00 -0.52 0.00 0.00 37.83 33.72 1xhh s LYS 30 CO -0.12 -1.03 2.13 0.95 -0.92 0.00 0.00 175.35 176.36 1xhh s THR 31 N 0.74 3.26 0.00 2.17 -4.23 -1.02 -4.71 115.64 111.85 1xhh s THR 31 Ca 0.11 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1xhh s THR 31 Cb -0.21 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1xhh s THR 31 CO -0.05 -0.56 0.00 0.29 -0.54 0.00 0.00 174.62 173.75 1xhh n LYS 32 N 8.88 0.00 -0.21 3.99 4.76 -1.26 -1.41 118.16 132.91 1xhh n LYS 32 Ca 0.40 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 1xhh n LYS 32 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1xhh n LYS 32 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1xhh n ASP 33 N 3.80 0.00 0.06 4.39 2.03 -1.26 -4.89 116.55 120.68 1xhh n ASP 33 Ca 0.00 -1.19 -0.12 0.00 0.52 0.00 0.00 54.79 54.01 1xhh n ASP 33 Cb 0.00 -0.04 -0.13 0.00 -0.72 0.00 0.00 41.12 40.23 1xhh n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xhh s GLU 35 N -2.66 1.15 -0.02 0.00 2.12 -1.24 -3.74 118.70 114.31 1xhh s GLU 35 Ca -0.04 -0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.25 1xhh s GLU 35 Cb 0.08 0.54 0.00 0.00 0.26 0.00 0.00 34.13 35.01 1xhh s GLU 35 CO 0.84 -0.43 -0.06 -1.21 -0.54 0.00 0.00 175.26 173.86 1xhh s GLU 36 N -2.33 0.62 -0.20 4.30 0.41 -0.34 -2.43 118.70 118.74 1xhh s GLU 36 Ca -0.05 -0.21 -0.11 0.00 -0.41 0.00 0.00 54.97 54.18 1xhh s GLU 36 Cb -0.00 -0.61 0.06 0.00 -1.78 0.00 0.00 34.13 31.79 1xhh s GLU 36 CO -0.00 0.09 0.48 0.00 -0.49 0.00 0.00 175.26 175.33 1xhh s THR 38 N 1.35 0.57 -0.33 0.00 -4.23 0.57 -2.49 115.64 111.08 1xhh s THR 38 Ca -0.09 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 59.65 1xhh s THR 38 Cb -0.07 -0.56 0.04 0.00 1.34 0.00 0.00 72.50 73.25 1xhh s THR 38 CO -0.13 -0.11 0.10 0.00 -0.54 0.00 0.00 174.62 173.93 1xhh s GLY 40 N 1.41 2.18 0.00 0.00 0.00 0.36 -3.37 107.32 107.89 1xhh s GLY 40 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 44.72 44.79 1xhh s GLY 40 CO 0.03 0.16 1.33 -0.18 0.00 0.00 0.00 173.10 174.44 1xhh n GLN 41 N -0.76 0.18 0.00 2.90 7.27 -1.26 -2.85 117.38 122.86 1xhh n GLN 41 Ca 0.03 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.27 1xhh n GLN 41 Cb 0.53 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.68 1xhh n GLN 41 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1xhh n ASP 42 N -1.29 3.09 -3.08 1.69 -0.08 -1.26 -5.08 116.55 110.54 1xhh n ASP 42 Ca 0.06 -0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.26 1xhh n ASP 42 Cb 0.10 0.62 0.02 0.00 2.34 0.00 0.00 41.12 44.20 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xhh s ALA 43 N -1.24 -0.83 0.23 -1.67 0.00 -1.13 -4.05 121.76 113.06 1xhh s ALA 43 Ca 0.00 -0.67 0.11 0.00 0.00 0.00 0.00 51.96 51.40 1xhh s ALA 43 Cb 0.00 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 1xhh s ALA 43 CO 0.00 -1.00 -0.21 0.42 0.00 0.00 0.00 175.76 174.97 1xhh s ILE 44 N -2.55 2.32 -0.08 0.00 1.01 0.56 0.13 121.20 122.59 1xhh s ILE 44 Ca 0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 60.65 58.58 1xhh s ILE 44 Cb -0.05 -2.17 0.04 0.00 0.01 0.00 0.00 42.46 40.29 1xhh s ILE 44 CO 0.11 -0.28 0.16 -0.94 0.00 0.00 0.00 174.94 173.98 1xhh s SER 45 N -3.06 0.19 -0.01 3.58 1.04 -0.54 -1.20 113.70 113.69 1xhh s SER 45 Ca 0.24 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1xhh s SER 45 Cb -0.06 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1xhh s SER 45 CO 0.12 -0.18 0.01 0.00 0.98 0.00 0.00 173.24 174.16 1xhh s ASN 48 N -0.10 4.66 -0.00 0.00 2.20 -1.26 -1.20 114.94 119.24 1xhh s ASN 48 Ca -0.02 -0.40 0.00 0.00 -0.94 0.00 0.00 52.86 51.50 1xhh s ASN 48 Cb -0.12 -0.96 0.00 0.00 -2.00 0.00 0.00 41.25 38.17 1xhh s ASN 48 CO 0.02 0.11 0.59 0.35 -2.94 0.00 0.00 177.10 175.23 1xhh n THR 49 N 0.10 0.05 -3.38 0.54 -2.24 -1.25 -4.88 114.28 103.24 1xhh n THR 49 Ca -0.11 -0.05 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 1xhh n THR 49 Cb 0.54 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.67 1xhh n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhh s ALA 50 N -0.06 4.22 0.98 6.98 0.00 -1.26 -5.02 121.76 127.61 1xhh s ALA 50 Ca 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.02 1xhh s ALA 50 Cb 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 23.12 22.02 1xhh s ALA 50 CO 0.00 -0.25 0.71 0.00 0.00 0.00 0.00 175.76 176.22 1xhh n ALA 51 N -1.65 -2.14 -2.56 0.00 0.00 -1.26 -4.97 120.51 107.93 1xhh n ALA 51 Ca 0.05 -0.73 -0.33 0.00 0.00 0.00 0.00 53.44 52.43 1xhh n ALA 51 Cb 0.61 -1.94 -0.13 0.00 0.00 0.00 0.00 19.45 17.99 1xhh n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xhh s ILE 52 N -2.47 3.16 0.29 0.00 1.09 -0.67 -4.85 121.20 117.74 1xhh s ILE 52 Ca 0.62 -0.68 -0.30 0.00 -1.10 0.00 0.00 60.65 59.19 1xhh s ILE 52 Cb -0.21 -2.26 -0.12 0.00 -1.06 0.00 0.00 42.46 38.81 1xhh s ILE 52 CO 0.64 0.58 1.50 -2.65 -0.10 0.00 0.00 174.94 174.91 1xhh n PRO 53 N 2.44 2.42 -4.61 2.79 -0.01 -1.26 -2.34 135.00 134.43 1xhh n PRO 53 Ca -0.17 0.86 -0.29 0.00 -0.01 0.00 0.00 63.50 63.89 1xhh n PRO 53 Cb 0.52 -2.58 -0.08 0.00 -0.01 0.00 0.00 33.50 31.36 1xhh n PRO 53 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 1xhh s THR 54 N -0.20 0.77 0.00 3.45 -4.23 -0.94 -4.68 115.64 109.80 1xhh s THR 54 Ca 0.64 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1xhh s THR 54 Cb -0.55 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1xhh s THR 54 CO 0.51 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 1xhh n GLY 55 N -1.05 0.00 3.57 3.99 0.00 -1.26 -3.63 105.19 106.82 1xhh n GLY 55 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1xhh n GLY 55 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xhh s TYR 56 N -0.84 3.20 0.11 1.61 5.04 -1.26 -4.59 117.35 120.62 1xhh s TYR 56 Ca 0.00 0.31 -0.31 0.00 -2.44 0.00 0.00 57.07 54.63 1xhh s TYR 56 Cb 0.00 -2.90 -0.08 0.00 0.35 0.00 0.00 41.96 39.33 1xhh s TYR 56 CO 0.00 -0.48 1.37 0.16 -1.34 0.00 0.00 175.55 175.25 1xhh s ASP 57 N 1.71 6.85 -1.05 4.32 -4.77 -1.26 -4.94 116.67 117.54 1xhh s ASP 57 Ca 0.20 2.30 -0.16 0.00 -3.30 0.00 0.00 52.55 51.58 1xhh s ASP 57 Cb -0.15 -2.59 0.15 0.00 -1.09 0.00 0.00 42.92 39.24 1xhh s ASP 57 CO 0.12 -0.63 1.26 0.28 0.70 0.00 0.00 175.17 176.91 1xhh s THR 58 N 1.06 4.87 -0.24 2.11 -1.32 -1.26 -4.75 115.64 116.12 1xhh s THR 58 Ca 0.64 -2.06 -0.17 0.00 -1.21 0.00 0.00 61.69 58.89 1xhh s THR 58 Cb -0.36 -4.84 -0.13 0.00 -1.51 0.00 0.00 72.50 65.66 1xhh s THR 58 CO 0.30 -1.55 -0.16 -3.20 -2.21 0.00 0.00 174.62 167.80 1xhh n ASN 59 N 6.12 1.92 -2.60 8.08 5.15 -1.26 -4.89 115.26 127.78 1xhh n ASN 59 Ca 0.30 0.38 -0.05 0.00 -0.60 0.00 0.00 54.58 54.61 1xhh n ASN 59 Cb 0.46 -0.87 0.08 0.00 -0.53 0.00 0.00 39.78 38.93 1xhh n ASN 59 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1xhh n LYS 60 N -4.35 0.89 -4.35 1.20 4.81 -1.26 -5.15 118.16 109.95 1xhh n LYS 60 Ca -0.41 -1.29 -0.18 0.00 -0.87 0.00 0.00 58.31 55.55 1xhh n LYS 60 Cb 0.75 0.06 -0.10 0.00 0.02 0.00 0.00 35.03 35.76 1xhh n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xhh s GLN 62 N -3.90 1.85 -0.10 0.00 1.11 -0.32 -4.93 119.66 113.37 1xhh s GLN 62 Ca 0.36 -2.08 0.04 0.00 0.01 0.00 0.00 55.36 53.68 1xhh s GLN 62 Cb 0.06 -0.98 -0.00 0.00 -1.01 0.00 0.00 33.01 31.08 1xhh s GLN 62 CO 0.16 -0.28 -0.24 0.15 0.01 0.00 0.00 175.29 175.09 1xhh s LYS 63 N -3.82 3.00 0.10 2.91 3.01 -1.26 -2.15 119.74 121.53 1xhh s LYS 63 Ca 0.28 -0.87 0.06 0.00 -1.01 0.00 0.00 55.97 54.43 1xhh s LYS 63 Cb 0.06 -2.27 -0.03 0.00 -1.01 0.00 0.00 37.83 34.57 1xhh s LYS 63 CO 0.14 0.19 -0.15 -1.50 0.51 0.00 0.00 175.35 174.54 1xhh s ILE 64 N 0.32 1.26 -0.32 2.17 1.10 0.42 -4.98 121.20 121.18 1xhh s ILE 64 Ca -0.18 -1.51 -0.09 0.00 -0.51 0.00 0.00 60.65 58.36 1xhh s ILE 64 Cb -0.18 -1.32 0.01 0.00 0.15 0.00 0.00 42.46 41.12 1xhh s ILE 64 CO 0.09 -0.30 0.13 -0.22 -2.11 0.00 0.00 174.94 172.53 1xhh s LEU 65 N -2.07 4.12 -0.23 8.50 0.20 -1.26 -0.37 118.68 127.57 1xhh s LEU 65 Ca 0.04 -0.71 -0.29 0.00 0.69 0.00 0.00 54.13 53.86 1xhh s LEU 65 Cb -0.08 -1.95 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 1xhh s LEU 65 CO 0.03 -0.23 1.05 0.21 -0.29 0.00 0.00 176.35 177.11 1xhh s ASN 66 N 1.55 7.09 0.05 3.68 3.04 0.10 -4.87 114.94 125.58 1xhh s ASN 66 Ca 0.03 1.38 0.28 0.00 0.04 0.00 0.00 52.86 54.59 1xhh s ASN 66 Cb -0.18 -2.54 1.05 0.00 -1.54 0.00 0.00 41.25 38.04 1xhh s ASN 66 CO 0.05 -0.68 1.83 2.29 -3.04 0.00 0.00 177.10 177.55 1xhh n LYS 67 N 6.34 0.06 -0.11 0.43 -0.00 -1.26 -1.27 118.16 122.36 1xhh n LYS 67 Ca 0.12 0.05 -0.05 0.00 -0.00 0.00 0.00 58.31 58.43 1xhh n LYS 67 Cb 0.46 -1.57 0.02 0.00 -0.00 0.00 0.00 35.03 33.94 1xhh n LYS 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1xhh h LYS 68 N 0.00 0.15 0.00 -1.58 3.64 -1.96 -3.21 116.57 113.62 1xhh h LYS 68 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1xhh h LYS 68 Cb 0.56 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 1xhh h LYS 68 CO 0.00 0.10 -0.43 0.25 -2.27 0.00 0.00 179.45 177.10 1xhh n THR 69 N -5.13 0.94 -3.26 1.00 -2.24 -1.24 -5.03 114.28 99.31 1xhh n THR 69 Ca 0.02 -1.40 -0.17 0.00 -2.27 0.00 0.00 64.05 60.24 1xhh n THR 69 Cb 0.18 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1xhh n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhh s THR 71 N -2.52 0.00 -0.11 0.00 -4.23 -0.39 -4.97 115.64 103.41 1xhh s THR 71 Ca 0.16 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1xhh s THR 71 Cb -0.03 -2.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 1xhh s THR 71 CO 0.82 0.00 -0.19 -0.31 -0.54 0.00 0.00 174.62 174.40 1xhh s TYR 72 N -3.79 2.68 0.18 3.99 2.02 -1.26 0.00 117.35 121.17 1xhh s TYR 72 Ca 0.32 -0.84 0.07 0.00 -0.37 0.00 0.00 57.07 56.25 1xhh s TYR 72 Cb 0.03 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 1xhh s TYR 72 CO 0.15 -0.31 -0.13 0.95 -1.57 0.00 0.00 175.55 174.64 1xhh s THR 73 N 0.33 1.53 -0.15 -0.71 -4.23 0.51 -4.94 115.64 107.97 1xhh s THR 73 Ca -0.15 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.24 1xhh s THR 73 Cb -0.17 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1xhh s THR 73 CO 0.07 -0.63 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.66 1xhh s VAL 74 N -3.03 2.52 0.38 2.29 1.01 -1.26 -0.43 120.40 121.87 1xhh s VAL 74 Ca 0.20 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1xhh s VAL 74 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1xhh s VAL 74 CO 0.05 0.52 0.26 0.68 0.00 0.00 0.00 175.10 176.61 1xhh s VAL 75 N 0.80 2.81 -0.06 2.92 -7.23 -0.91 -0.49 120.40 118.24 1xhh s VAL 75 Ca -0.06 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1xhh s VAL 75 Cb -0.15 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 1xhh s VAL 75 CO -0.00 -0.07 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.06 1xhh s GLU 76 N -3.99 2.77 0.41 4.82 2.02 -1.23 -1.17 118.70 122.34 1xhh s GLU 76 Ca 0.43 -0.55 0.29 0.00 0.02 0.00 0.00 54.97 55.15 1xhh s GLU 76 Cb -0.02 -2.63 1.47 0.00 0.10 0.00 0.00 34.13 33.05 1xhh s GLU 76 CO 0.25 0.66 1.87 0.87 0.02 0.00 0.00 175.26 178.93 1xhh h LYS 77 N 5.04 0.00 0.00 1.61 1.79 -1.92 -2.04 116.57 121.05 1xhh h LYS 77 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1xhh h LYS 77 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1xhh h LYS 77 CO 0.53 0.00 0.00 1.17 -1.08 0.00 0.00 179.45 180.07 1xhh n LYS 78 N -2.52 2.28 -2.84 3.15 3.00 -1.26 -4.84 118.16 115.12 1xhh n LYS 78 Ca -0.01 -1.31 -0.11 0.00 -0.00 0.00 0.00 58.31 56.88 1xhh n LYS 78 Cb 0.10 -0.99 0.02 0.00 0.00 0.00 0.00 35.03 34.16 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1xhh n ASP 79 N -0.41 -2.34 0.00 3.14 -0.08 -0.77 -4.97 116.55 111.12 1xhh n ASP 79 Ca 0.00 -3.15 0.03 0.00 -1.51 0.00 0.00 54.79 50.16 1xhh n ASP 79 Cb 0.21 1.33 0.14 0.00 2.34 0.00 0.00 41.12 45.15 1xhh n ASP 79 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1xhh n PRO 80 N 1.72 0.00 0.00 -0.67 -0.02 -1.21 -1.35 135.00 133.48 1xhh n PRO 80 Ca 0.12 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1xhh n PRO 80 Cb 0.60 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.72 1xhh n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xhh n GLY 81 N -0.82 -1.14 3.32 -1.23 0.00 -1.26 -4.88 105.19 99.18 1xhh n GLY 81 Ca 0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1xhh n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhh s LYS 82 N -2.98 1.63 0.58 1.61 1.02 -0.46 -5.13 119.74 116.01 1xhh s LYS 82 Ca 0.11 -1.09 -0.08 0.00 0.02 0.00 0.00 55.97 54.93 1xhh s LYS 82 Cb 0.17 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 1xhh s LYS 82 CO 0.74 0.46 0.93 0.95 -0.92 0.00 0.00 175.35 177.52 1xhh s THR 83 N -0.84 4.31 0.00 2.17 -4.23 -1.26 -3.80 115.64 111.99 1xhh s THR 83 Ca 0.11 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1xhh s THR 83 Cb -0.10 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1xhh s THR 83 CO 0.02 -0.80 0.00 0.00 -0.54 0.00 0.00 174.62 173.31 1xhh s ASP 85 N -1.00 7.35 0.23 0.00 2.15 -1.26 -4.92 116.67 119.22 1xhh s ASP 85 Ca 0.00 2.09 0.04 0.00 0.43 0.00 0.00 52.55 55.11 1xhh s ASP 85 Cb 0.00 -2.61 -0.05 0.00 -0.30 0.00 0.00 42.92 39.96 1xhh s ASP 85 CO 0.00 -0.12 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.17 1xhh s VAL 86 N -0.62 1.13 0.00 1.11 1.01 -1.26 -4.73 120.40 117.04 1xhh s VAL 86 Ca 0.46 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1xhh s VAL 86 Cb -0.29 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1xhh s VAL 86 CO 0.36 -0.35 0.00 0.41 0.00 0.00 0.00 175.10 175.51 1xhh n THR 87 N -0.42 0.00 -3.37 3.92 -1.04 -1.26 -4.91 114.28 107.19 1xhh n THR 87 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1xhh n THR 87 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 1xhh n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xhh n GLY 88 N 0.44 -0.68 3.40 3.41 0.00 -1.24 -5.02 105.19 105.50 1xhh n GLY 88 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1xhh n GLY 88 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xhh s TRP 89 N -3.00 0.25 -0.14 1.61 0.51 -1.26 -2.22 118.94 114.69 1xhh s TRP 89 Ca 0.00 -0.61 -0.10 0.00 -2.12 0.00 0.00 56.10 53.27 1xhh s TRP 89 Cb 0.00 0.08 0.04 0.00 -0.81 0.00 0.00 33.47 32.78 1xhh s TRP 89 CO 0.00 -0.78 0.35 0.08 -0.51 0.00 0.00 176.95 176.09 1xhh s VAL 90 N -3.94 -0.01 -1.00 4.03 1.01 -0.99 -4.84 120.40 114.66 1xhh s VAL 90 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1xhh s VAL 90 Cb 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1xhh s VAL 90 CO -0.01 0.02 0.25 0.18 0.00 0.00 0.00 175.10 175.54