#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 -3.78 -0.03 -0.02 0.00 -0.85 -1.09 -5.02 117.35 106.55 1xhh s TYR 3 Ca 0.02 -0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.27 1xhh s TYR 3 Cb 0.00 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.41 1xhh s TYR 3 CO -0.12 -0.61 -0.06 -0.06 -1.52 0.00 0.00 175.55 173.18 1xhh s PHE 4 N -3.74 2.93 -0.07 -3.49 0.40 -1.26 -2.56 117.98 110.18 1xhh s PHE 4 Ca 0.03 0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 1xhh s PHE 4 Cb 0.03 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.92 1xhh s PHE 4 CO -0.11 0.37 -0.14 0.42 0.70 0.00 0.00 175.22 176.46 1xhh s ILE 5 N -0.94 1.25 1.13 0.64 1.01 0.03 -4.96 121.20 119.36 1xhh s ILE 5 Ca 0.16 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1xhh s ILE 5 Cb -0.11 -1.13 0.25 0.00 0.01 0.00 0.00 42.46 41.48 1xhh s ILE 5 CO 0.05 0.38 0.90 -0.81 0.00 0.00 0.00 174.94 175.47 1xhh n PRO 6 N 3.77 -2.07 -1.65 2.79 -0.04 -1.26 -0.94 135.00 135.60 1xhh n PRO 6 Ca -0.22 -0.57 -0.47 0.00 -0.04 0.00 0.00 63.50 62.20 1xhh n PRO 6 Cb 0.52 -2.14 -0.04 0.00 -0.04 0.00 0.00 33.50 31.80 1xhh n PRO 6 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xhh n ASN 7 N -4.41 3.46 -1.45 3.54 2.85 -1.25 -4.64 115.26 113.36 1xhh n ASN 7 Ca 0.04 0.84 0.10 0.00 -0.11 0.00 0.00 54.58 55.46 1xhh n ASN 7 Cb 0.55 -1.41 0.34 0.00 1.24 0.00 0.00 39.78 40.50 1xhh n ASN 7 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xhh n GLN 8 N 7.14 3.31 -1.78 1.20 6.02 -1.26 -4.96 117.38 127.05 1xhh n GLN 8 Ca 0.24 -2.77 -0.21 0.00 -0.01 0.00 0.00 57.00 54.25 1xhh n GLN 8 Cb 0.32 -1.74 0.14 0.00 1.02 0.00 0.00 30.24 29.97 1xhh n GLN 8 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1xhh n SER 9 N 1.28 0.49 0.00 1.08 3.41 -1.25 -4.84 113.62 113.79 1xhh n SER 9 Ca 0.25 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1xhh n SER 9 Cb 0.77 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1xhh n SER 9 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xhh n LEU 10 N 0.00 0.45 -4.85 1.04 4.77 -1.26 -4.92 117.00 112.22 1xhh n LEU 10 Ca 0.13 0.26 -0.33 0.00 -0.03 0.00 0.00 56.01 56.03 1xhh n LEU 10 Cb 0.46 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1xhh n LEU 10 CO 0.33 -0.39 0.28 -0.54 -1.33 0.00 0.00 177.39 175.74 1xhh s LYS 11 N -0.78 3.94 1.21 3.23 -0.14 -1.26 -5.06 119.74 120.89 1xhh s LYS 11 Ca 0.00 0.48 -0.17 0.00 -1.36 0.00 0.00 55.97 54.92 1xhh s LYS 11 Cb 0.00 -2.72 0.24 0.00 -1.68 0.00 0.00 37.83 33.67 1xhh s LYS 11 CO 0.00 0.34 0.55 -0.35 -0.76 0.00 0.00 175.35 175.14 1xhh n PRO 12 N 0.20 -2.75 -3.21 -1.68 -0.04 -1.26 -4.06 135.00 122.20 1xhh n PRO 12 Ca -0.01 -0.80 -0.16 0.00 -0.04 0.00 0.00 63.50 62.50 1xhh n PRO 12 Cb 0.52 -1.86 0.06 0.00 -0.04 0.00 0.00 33.50 32.19 1xhh n PRO 12 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xhh n ASN 13 N -3.57 -3.85 -3.99 3.54 2.85 -1.26 -5.02 115.26 103.96 1xhh n ASN 13 Ca 0.04 -0.43 -0.11 0.00 -0.11 0.00 0.00 54.58 53.97 1xhh n ASN 13 Cb 0.55 -3.92 -0.07 0.00 1.24 0.00 0.00 39.78 37.58 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1xhh s GLU 14 N -5.56 1.43 -0.39 1.20 2.02 -1.26 -3.16 118.70 112.99 1xhh s GLU 14 Ca 0.25 -1.51 0.10 0.00 0.02 0.00 0.00 54.97 53.82 1xhh s GLU 14 Cb -0.11 0.37 0.31 0.00 0.10 0.00 0.00 34.13 34.80 1xhh s GLU 14 CO 0.54 -0.54 0.72 0.00 0.02 0.00 0.00 175.26 176.00 1xhh s GLN 16 N -1.61 3.28 -0.29 0.00 0.74 -1.26 -3.63 119.66 116.89 1xhh s GLN 16 Ca 0.36 -0.78 -0.08 0.00 0.05 0.00 0.00 55.36 54.91 1xhh s GLN 16 Cb 0.29 -3.75 -0.00 0.00 1.10 0.00 0.00 33.01 30.64 1xhh s GLN 16 CO -0.09 -0.51 0.10 -0.51 -0.55 0.00 0.00 175.29 173.72 1xhh s ASP 17 N 1.66 5.27 0.94 6.67 1.01 -1.22 -3.79 116.67 127.21 1xhh s ASP 17 Ca 0.05 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.77 1xhh s ASP 17 Cb -0.18 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1xhh s ASP 17 CO 0.09 -0.16 0.00 0.18 0.21 0.00 0.00 175.17 175.48 1xhh n LEU 18 N 4.92 0.00 -0.28 1.23 4.77 -1.26 -2.88 117.00 123.50 1xhh n LEU 18 Ca -0.15 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.86 1xhh n LEU 18 Cb 0.49 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 1xhh n LEU 18 CO 0.32 0.00 0.46 0.29 -1.33 0.00 0.00 177.39 177.13 1xhh n LYS 19 N 14.00 1.40 -0.09 3.23 4.76 -1.26 -4.66 118.16 135.53 1xhh n LYS 19 Ca 0.00 -1.32 -0.19 0.00 -2.87 0.00 0.00 58.31 53.93 1xhh n LYS 19 Cb 0.00 -1.12 -0.12 0.00 -1.84 0.00 0.00 35.03 31.95 1xhh n LYS 19 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1xhh h GLY 20 N 1.08 0.00 -3.38 0.72 0.00 -1.92 -3.44 103.07 96.13 1xhh h GLY 20 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1xhh h GLY 20 CO 0.00 0.00 -0.28 0.14 0.00 0.00 0.00 176.54 176.40 1xhh s VAL 21 N -2.30 5.16 -0.34 4.60 1.01 -1.14 -5.01 120.40 122.37 1xhh s VAL 21 Ca -0.25 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1xhh s VAL 21 Cb 0.03 -3.77 0.20 0.00 0.00 0.00 0.00 36.38 32.84 1xhh s VAL 21 CO 0.61 -0.30 1.04 -0.55 0.00 0.00 0.00 175.10 175.90 1xhh s SER 22 N -3.42 -0.41 -0.01 3.32 0.15 -1.26 -3.45 113.70 108.63 1xhh s SER 22 Ca 0.39 -0.33 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 1xhh s SER 22 Cb -0.10 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1xhh s SER 22 CO 0.31 -0.03 0.34 -1.00 1.20 0.00 0.00 173.24 174.06 1xhh s HIS 23 N 1.52 -0.21 1.25 3.44 3.76 -1.24 -4.99 115.29 118.82 1xhh s HIS 23 Ca 0.19 0.28 -0.18 0.00 -0.15 0.00 0.00 55.06 55.20 1xhh s HIS 23 Cb 0.07 0.12 0.27 0.00 1.11 0.00 0.00 32.58 34.15 1xhh s HIS 23 CO -0.12 -0.43 0.61 -2.30 -0.85 0.00 0.00 174.74 171.65 1xhh n PRO 24 N 1.12 -3.27 0.00 8.40 -0.01 -1.26 -1.25 135.00 138.73 1xhh n PRO 24 Ca -0.21 -0.96 0.00 0.00 -0.01 0.00 0.00 63.50 62.32 1xhh n PRO 24 Cb 0.57 -1.80 0.00 0.00 -0.01 0.00 0.00 33.50 32.25 1xhh n PRO 24 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 175.50 175.38 1xhh n LEU 25 N -3.78 0.00 -3.39 2.45 -0.00 -1.19 -4.23 117.00 106.86 1xhh n LEU 25 Ca 0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.88 1xhh n LEU 25 Cb 0.52 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.00 1xhh n LEU 25 CO 0.41 -0.89 0.00 0.59 -0.00 0.00 0.00 177.39 177.50 1xhh n ASN 26 N -1.08 -6.24 -3.21 1.96 5.03 -1.26 -4.95 115.26 105.51 1xhh n ASN 26 Ca 0.00 -0.80 -0.18 0.00 0.87 0.00 0.00 54.58 54.47 1xhh n ASN 26 Cb 0.00 -4.59 -0.06 0.00 -1.02 0.00 0.00 39.78 34.11 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1xhh s SER 27 N -3.40 0.57 -0.20 6.41 0.01 -1.26 -5.11 113.70 110.71 1xhh s SER 27 Ca 0.46 -2.25 -0.04 0.00 1.31 0.00 0.00 55.95 55.42 1xhh s SER 27 Cb -0.10 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 1xhh s SER 27 CO 0.78 -0.17 -0.02 0.68 0.41 0.00 0.00 173.24 174.93 1xhh s VAL 28 N 0.70 3.76 -0.08 3.43 -7.23 -1.26 -3.70 120.40 116.02 1xhh s VAL 28 Ca 0.27 -0.38 -0.03 0.00 -1.81 0.00 0.00 61.98 60.03 1xhh s VAL 28 Cb -0.03 -2.70 0.04 0.00 0.56 0.00 0.00 36.38 34.25 1xhh s VAL 28 CO -0.10 0.43 0.15 -1.66 -0.31 0.00 0.00 175.10 173.61 1xhh s TRP 29 N 1.10 -0.17 -0.23 2.82 -2.14 -1.09 -5.03 118.94 114.20 1xhh s TRP 29 Ca 0.02 0.56 -0.02 0.00 2.66 0.00 0.00 56.10 59.32 1xhh s TRP 29 Cb -0.14 -0.20 0.01 0.00 -3.10 0.00 0.00 33.47 30.04 1xhh s TRP 29 CO 0.01 -0.23 -0.08 0.15 -2.66 0.00 0.00 176.95 174.14 1xhh s LYS 30 N 1.89 3.05 -0.93 3.25 1.02 -1.26 -2.63 119.74 124.13 1xhh s LYS 30 Ca -0.01 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1xhh s LYS 30 Cb -0.12 -2.93 0.27 0.00 -0.52 0.00 0.00 37.83 34.53 1xhh s LYS 30 CO -0.06 -0.30 1.12 0.25 -0.92 0.00 0.00 175.35 175.44 1xhh n THR 31 N 4.71 4.03 -0.79 2.17 -2.24 0.85 -4.98 114.28 118.03 1xhh n THR 31 Ca -0.18 -5.54 -0.32 0.00 -2.27 0.00 0.00 64.05 55.74 1xhh n THR 31 Cb 0.49 -2.19 0.11 0.00 -2.10 0.00 0.00 70.33 66.64 1xhh n THR 31 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1xhh n LYS 32 N 1.50 -1.01 -0.84 -0.78 2.85 -1.23 -0.05 118.16 118.59 1xhh n LYS 32 Ca 0.26 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1xhh n LYS 32 Cb 0.36 -1.38 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 1xhh n LYS 32 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1xhh n ASP 33 N 0.53 -4.84 0.00 -5.58 2.03 -1.26 -4.35 116.55 103.08 1xhh n ASP 33 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xhh n ASP 33 Cb 0.63 -3.05 0.00 0.00 -0.72 0.00 0.00 41.12 37.98 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 -0.27 1.49 -0.21 0.00 2.12 0.93 -3.62 118.70 119.13 1xhh s GLU 35 Ca 0.00 -1.04 -0.04 0.00 0.36 0.00 0.00 54.97 54.25 1xhh s GLU 35 Cb 0.00 0.51 0.09 0.00 0.26 0.00 0.00 34.13 34.99 1xhh s GLU 35 CO 0.00 -0.64 0.18 -1.21 -0.54 0.00 0.00 175.26 173.05 1xhh s GLU 36 N -3.94 0.17 -0.11 4.30 2.02 -0.56 -0.11 118.70 120.47 1xhh s GLU 36 Ca 0.14 -0.01 0.04 0.00 0.02 0.00 0.00 54.97 55.16 1xhh s GLU 36 Cb -0.01 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.89 1xhh s GLU 36 CO 0.03 -0.74 -0.23 0.00 0.02 0.00 0.00 175.26 174.33 1xhh s THR 38 N 0.47 1.90 -0.38 0.00 -4.23 0.14 -2.68 115.64 110.85 1xhh s THR 38 Ca -0.16 -2.20 -0.06 0.00 -1.18 0.00 0.00 61.69 58.10 1xhh s THR 38 Cb -0.17 -2.39 0.08 0.00 1.34 0.00 0.00 72.50 71.35 1xhh s THR 38 CO 0.06 -0.35 0.18 0.00 -0.54 0.00 0.00 174.62 173.97 1xhh s GLY 40 N 1.79 1.62 0.16 0.00 0.00 0.59 -4.88 107.32 106.60 1xhh s GLY 40 Ca 0.02 -0.28 -0.21 0.00 0.00 0.00 0.00 44.72 44.25 1xhh s GLY 40 CO -0.00 0.15 1.62 -1.61 0.00 0.00 0.00 173.10 173.26 1xhh h GLN 41 N -1.03 -0.20 -0.01 2.90 5.75 -2.01 -3.15 115.11 117.37 1xhh h GLN 41 Ca -0.47 0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 57.95 1xhh h GLN 41 Cb 1.27 0.05 -0.20 0.00 1.07 0.00 0.00 27.48 29.66 1xhh h GLN 41 CO 0.61 -0.13 -0.78 -0.40 -2.65 0.00 0.00 178.83 175.47 1xhh n ASP 42 N -5.40 1.36 -3.54 -0.69 5.68 -1.26 -4.85 116.55 107.85 1xhh n ASP 42 Ca 0.01 -2.92 -0.11 0.00 -0.50 0.00 0.00 54.79 51.27 1xhh n ASP 42 Cb 0.31 -0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 39.86 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xhh s ALA 43 N -1.59 -1.43 -0.08 2.12 0.00 -1.19 -3.80 121.76 115.80 1xhh s ALA 43 Ca 0.36 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1xhh s ALA 43 Cb 0.38 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.37 1xhh s ALA 43 CO -0.12 -0.81 -0.19 0.42 0.00 0.00 0.00 175.76 175.05 1xhh s ILE 44 N -3.80 1.66 -0.23 0.00 1.01 -0.12 0.22 121.20 119.94 1xhh s ILE 44 Ca 0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1xhh s ILE 44 Cb -0.02 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 1xhh s ILE 44 CO -0.08 0.47 -0.00 -0.94 0.00 0.00 0.00 174.94 174.39 1xhh s SER 45 N 0.35 4.61 -0.07 3.58 1.04 -1.04 -0.79 113.70 121.39 1xhh s SER 45 Ca -0.14 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 55.99 1xhh s SER 45 Cb -0.16 -1.81 0.01 0.00 0.10 0.00 0.00 66.02 64.16 1xhh s SER 45 CO 0.06 -0.03 -0.14 0.00 0.98 0.00 0.00 173.24 174.11 1xhh s ASN 48 N 1.24 4.76 0.00 0.00 4.22 -1.25 -1.50 114.94 122.41 1xhh s ASN 48 Ca -0.01 -0.03 0.00 0.00 -2.14 0.00 0.00 52.86 50.68 1xhh s ASN 48 Cb -0.19 -1.20 0.00 0.00 1.28 0.00 0.00 41.25 41.14 1xhh s ASN 48 CO -0.08 0.34 0.39 0.35 -2.04 0.00 0.00 177.10 176.05 1xhh n THR 49 N 1.98 0.11 -2.00 0.54 -2.24 -1.24 -4.21 114.28 107.23 1xhh n THR 49 Ca -0.17 -0.15 -0.28 0.00 -2.27 0.00 0.00 64.05 61.18 1xhh n THR 49 Cb 0.53 1.28 0.09 0.00 -2.10 0.00 0.00 70.33 70.12 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 -0.11 2.80 1.00 6.98 0.00 -1.26 -5.02 121.76 126.16 1xhh s ALA 50 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 1xhh s ALA 50 Cb 0.00 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.32 1xhh s ALA 50 CO 0.00 -1.58 -0.33 0.00 0.00 0.00 0.00 175.76 173.85 1xhh n ALA 51 N -3.21 -2.80 -3.20 0.00 0.00 -1.26 -4.97 120.51 105.08 1xhh n ALA 51 Ca 0.08 -1.14 -0.24 0.00 0.00 0.00 0.00 53.44 52.15 1xhh n ALA 51 Cb 0.61 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.90 1xhh n ALA 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1xhh s ILE 52 N -2.10 1.13 0.01 0.00 2.07 -0.17 -4.86 121.20 117.28 1xhh s ILE 52 Ca 0.40 -0.52 -0.31 0.00 -1.41 0.00 0.00 60.65 58.81 1xhh s ILE 52 Cb -0.03 -1.01 -0.10 0.00 0.13 0.00 0.00 42.46 41.45 1xhh s ILE 52 CO 0.51 0.34 1.94 -2.65 -1.91 0.00 0.00 174.94 173.17 1xhh n PRO 53 N 3.50 2.68 -4.37 3.50 -0.01 -1.26 -2.57 135.00 136.47 1xhh n PRO 53 Ca -0.20 0.98 -0.28 0.00 -0.01 0.00 0.00 63.50 63.99 1xhh n PRO 53 Cb 0.53 -2.90 -0.07 0.00 -0.01 0.00 0.00 33.50 31.04 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 4.17 1.75 0.00 3.45 -4.23 -1.12 -4.65 115.64 115.02 1xhh s THR 54 Ca 0.89 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1xhh s THR 54 Cb -0.51 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1xhh s THR 54 CO 0.44 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 1xhh n GLY 55 N -1.30 0.44 3.42 3.99 0.00 -1.26 -3.73 105.19 106.74 1xhh n GLY 55 Ca -0.08 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.43 1xhh n GLY 55 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xhh n TYR 56 N 0.00 1.44 -1.58 1.61 9.36 -1.26 -4.77 117.16 121.96 1xhh n TYR 56 Ca 0.00 0.36 -0.45 0.00 3.32 0.00 0.00 57.90 61.13 1xhh n TYR 56 Cb 0.00 -2.48 -0.04 0.00 -0.63 0.00 0.00 39.34 36.19 1xhh n TYR 56 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1xhh n ASP 57 N 9.77 3.13 -4.11 2.98 -0.08 -1.26 -4.82 116.55 122.15 1xhh n ASP 57 Ca 0.45 0.38 -0.39 0.00 -1.51 0.00 0.00 54.79 53.72 1xhh n ASP 57 Cb 0.18 -1.48 -0.03 0.00 2.34 0.00 0.00 41.12 42.14 1xhh n ASP 57 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1xhh n THR 58 N 7.20 2.78 -0.03 5.18 -2.24 -1.26 -4.59 114.28 121.31 1xhh n THR 58 Ca 0.31 -2.67 -0.20 0.00 -2.27 0.00 0.00 64.05 59.21 1xhh n THR 58 Cb 0.38 -2.36 -0.13 0.00 -2.10 0.00 0.00 70.33 66.12 1xhh n THR 58 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1xhh h ASN 59 N 7.76 0.22 0.00 3.42 -0.00 -2.01 -3.47 115.58 121.50 1xhh h ASN 59 Ca 0.42 -0.78 0.00 0.00 -0.00 0.00 0.00 56.30 55.94 1xhh h ASN 59 Cb 0.77 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 39.02 1xhh h ASN 59 CO 1.65 1.50 0.00 2.29 -0.00 0.00 0.00 177.43 182.87 1xhh n LYS 60 N -4.15 0.00 -0.67 6.67 2.85 -1.26 -5.13 118.16 116.47 1xhh n LYS 60 Ca -0.25 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.73 1xhh n LYS 60 Cb 0.78 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 35.31 1xhh n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xhh s GLN 62 N -3.23 1.99 -0.00 0.00 1.11 -0.43 -4.95 119.66 114.15 1xhh s GLN 62 Ca 0.46 -2.23 0.08 0.00 0.01 0.00 0.00 55.36 53.68 1xhh s GLN 62 Cb -0.06 -0.61 -0.02 0.00 -1.01 0.00 0.00 33.01 31.30 1xhh s GLN 62 CO 0.55 -0.51 -0.25 -1.59 0.01 0.00 0.00 175.29 173.49 1xhh s LYS 63 N -3.68 2.06 0.02 2.91 -2.85 -1.26 -1.95 119.74 114.99 1xhh s LYS 63 Ca 0.22 -0.96 -0.02 0.00 -1.00 0.00 0.00 55.97 54.21 1xhh s LYS 63 Cb 0.02 -2.06 -0.01 0.00 -2.06 0.00 0.00 37.83 33.71 1xhh s LYS 63 CO 0.14 0.55 0.02 -1.50 0.10 0.00 0.00 175.35 174.66 1xhh s ILE 64 N -0.68 0.11 -0.33 3.79 1.10 0.24 -4.94 121.20 120.48 1xhh s ILE 64 Ca 0.11 -0.88 -0.18 0.00 -0.51 0.00 0.00 60.65 59.18 1xhh s ILE 64 Cb -0.10 -0.35 -0.01 0.00 0.15 0.00 0.00 42.46 42.15 1xhh s ILE 64 CO 0.00 -0.48 0.54 -0.22 -2.11 0.00 0.00 174.94 172.67 1xhh s LEU 65 N -1.49 4.26 -0.76 8.50 1.98 -1.26 -0.21 118.68 129.70 1xhh s LEU 65 Ca -0.15 0.13 -0.27 0.00 -2.89 0.00 0.00 54.13 50.95 1xhh s LEU 65 Cb -0.09 -2.64 0.03 0.00 0.66 0.00 0.00 46.19 44.15 1xhh s LEU 65 CO -0.01 -0.46 1.29 0.21 -1.89 0.00 0.00 176.35 175.50 1xhh s ASN 66 N 1.72 6.18 0.00 3.68 3.04 0.23 -4.82 114.94 124.97 1xhh s ASN 66 Ca 0.20 -0.50 0.07 0.00 0.04 0.00 0.00 52.86 52.67 1xhh s ASN 66 Cb -0.15 -2.56 0.33 0.00 -1.54 0.00 0.00 41.25 37.32 1xhh s ASN 66 CO 0.13 -1.82 1.17 2.29 -3.04 0.00 0.00 177.10 175.82 1xhh n LYS 67 N 9.35 0.04 0.06 0.43 2.85 -1.26 -1.26 118.16 128.38 1xhh n LYS 67 Ca 0.05 0.31 -0.11 0.00 -1.05 0.00 0.00 58.31 57.50 1xhh n LYS 67 Cb 0.49 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.32 1xhh n LYS 67 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1xhh h LYS 68 N 0.00 -0.19 0.00 -1.58 1.79 -1.95 -3.28 116.57 111.37 1xhh h LYS 68 Ca 0.00 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1xhh h LYS 68 Cb 0.10 0.04 -0.16 0.00 -1.58 0.00 0.00 32.23 30.63 1xhh h LYS 68 CO 0.00 -0.12 -0.67 0.25 -1.08 0.00 0.00 179.45 177.83 1xhh n THR 69 N -5.24 1.01 -3.29 -0.16 -2.24 -1.11 -5.02 114.28 98.23 1xhh n THR 69 Ca -0.06 -1.83 -0.15 0.00 -2.27 0.00 0.00 64.05 59.74 1xhh n THR 69 Cb 0.16 0.35 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.66 0.00 -0.09 0.00 -4.23 -0.90 -4.96 115.64 102.80 1xhh s THR 71 Ca 0.12 -1.65 -0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1xhh s THR 71 Cb -0.02 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 1xhh s THR 71 CO 0.82 0.00 -0.06 -0.47 -0.54 0.00 0.00 174.62 174.37 1xhh s TYR 72 N -3.93 2.97 0.25 3.99 6.14 -1.26 0.77 117.35 126.28 1xhh s TYR 72 Ca 0.30 -0.06 0.01 0.00 0.64 0.00 0.00 57.07 57.96 1xhh s TYR 72 Cb 0.02 -1.77 -0.05 0.00 0.42 0.00 0.00 41.96 40.58 1xhh s TYR 72 CO 0.12 0.25 0.10 0.95 0.64 0.00 0.00 175.55 177.61 1xhh s THR 73 N -0.53 0.44 -0.15 4.34 -4.23 0.71 -4.89 115.64 111.33 1xhh s THR 73 Ca 0.08 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1xhh s THR 73 Cb -0.12 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.13 1xhh s THR 73 CO 0.02 0.00 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.25 1xhh s VAL 74 N -3.84 1.72 0.42 2.29 1.01 -1.26 -0.60 120.40 120.14 1xhh s VAL 74 Ca 0.38 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1xhh s VAL 74 Cb 0.08 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1xhh s VAL 74 CO 0.13 0.48 0.32 0.68 0.00 0.00 0.00 175.10 176.71 1xhh s VAL 75 N 1.35 2.53 -0.03 2.92 -7.23 -0.82 0.20 120.40 119.32 1xhh s VAL 75 Ca 0.03 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1xhh s VAL 75 Cb -0.13 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 1xhh s VAL 75 CO -0.10 0.00 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.95 1xhh s GLU 76 N -4.06 2.71 0.44 4.82 2.12 -1.23 -1.31 118.70 122.19 1xhh s GLU 76 Ca 0.46 -0.61 0.30 0.00 0.36 0.00 0.00 54.97 55.47 1xhh s GLU 76 Cb -0.01 -2.60 1.57 0.00 0.26 0.00 0.00 34.13 33.35 1xhh s GLU 76 CO 0.26 0.64 1.92 0.87 -0.54 0.00 0.00 175.26 178.40 1xhh h LYS 77 N 4.75 0.00 0.00 4.30 1.79 -1.92 -2.01 116.57 123.47 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 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1xhh h LYS 77 CO 0.54 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.54 1xhh n LYS 78 N -2.57 1.42 -2.92 3.15 5.02 -1.26 -4.84 118.16 116.16 1xhh n LYS 78 Ca -0.01 -1.09 -0.14 0.00 -2.02 0.00 0.00 58.31 55.04 1xhh n LYS 78 Cb 0.08 -0.99 0.01 0.00 -0.02 0.00 0.00 35.03 34.11 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xhh n ASP 79 N -0.30 -1.72 0.10 4.39 -0.08 -0.76 -4.97 116.55 113.21 1xhh n ASP 79 Ca 0.00 -3.09 0.09 0.00 -1.51 0.00 0.00 54.79 50.28 1xhh n ASP 79 Cb 0.16 0.91 0.41 0.00 2.34 0.00 0.00 41.12 44.93 1xhh n ASP 79 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xhh n PRO 80 N 1.51 0.11 -0.15 -0.67 -0.05 -1.21 -1.68 135.00 132.86 1xhh n PRO 80 Ca 0.14 0.48 0.09 0.00 -0.05 0.00 0.00 63.50 64.16 1xhh n PRO 80 Cb 0.60 -1.77 0.28 0.00 -0.05 0.00 0.00 33.50 32.55 1xhh n PRO 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1xhh n GLY 81 N -0.67 0.81 2.90 0.55 0.00 -1.26 -4.85 105.19 102.68 1xhh n GLY 81 Ca 0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.60 0.19 0.54 1.61 -0.14 -0.68 -5.14 119.74 114.51 1xhh s LYS 82 Ca 0.32 -0.07 -0.17 0.00 -1.36 0.00 0.00 55.97 54.69 1xhh s LYS 82 Cb 0.18 -0.19 -0.06 0.00 -1.68 0.00 0.00 37.83 36.08 1xhh s LYS 82 CO 0.25 0.04 1.03 0.95 -0.76 0.00 0.00 175.35 176.86 1xhh s THR 83 N -0.00 4.01 0.00 2.17 -4.23 -1.26 -3.95 115.64 112.37 1xhh s THR 83 Ca 0.00 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 1xhh s THR 83 Cb -0.01 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1xhh s THR 83 CO -0.00 -0.48 0.00 0.00 -0.54 0.00 0.00 174.62 173.60 1xhh s ASP 85 N -1.00 7.13 0.29 0.00 -1.08 -1.26 -4.87 116.67 115.87 1xhh s ASP 85 Ca 0.00 2.34 0.03 0.00 -0.52 0.00 0.00 52.55 54.40 1xhh s ASP 85 Cb 0.00 -2.62 -0.06 0.00 -1.46 0.00 0.00 42.92 38.78 1xhh s ASP 85 CO 0.00 -0.28 0.05 -0.69 0.52 0.00 0.00 175.17 174.77 1xhh s VAL 86 N -0.83 1.02 0.00 1.11 1.01 -1.26 -4.74 120.40 116.71 1xhh s VAL 86 Ca 0.48 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1xhh s VAL 86 Cb -0.34 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1xhh s VAL 86 CO 0.42 -0.09 0.00 0.41 0.00 0.00 0.00 175.10 175.84 1xhh n THR 87 N -0.57 0.00 -3.47 3.92 -1.04 -1.26 -4.80 114.28 107.06 1xhh n THR 87 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1xhh n THR 87 Cb 0.66 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 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 0.91 -0.78 3.23 3.41 0.00 -1.24 -5.01 105.19 105.71 1xhh n GLY 88 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 0.69 -0.08 1.61 0.51 -1.26 -2.80 118.94 114.61 1xhh s TRP 89 Ca 0.00 -1.05 -0.09 0.00 -2.12 0.00 0.00 56.10 52.84 1xhh s TRP 89 Cb 0.00 -0.31 0.02 0.00 -0.81 0.00 0.00 33.47 32.37 1xhh s TRP 89 CO 0.00 -0.61 0.24 0.08 -0.51 0.00 0.00 176.95 176.15 1xhh s VAL 90 N -4.02 0.01 -2.00 4.03 1.01 -1.06 -4.86 120.40 113.51 1xhh s VAL 90 Ca 0.22 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.20 1xhh s VAL 90 Cb 0.06 -0.38 0.23 0.00 0.00 0.00 0.00 36.38 36.29 1xhh s VAL 90 CO 0.02 -0.05 0.94 0.18 0.00 0.00 0.00 175.10 176.19