#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 -3.30 0.49 0.12 0.00 5.04 -1.07 -5.01 117.35 113.62 1xhh s TYR 3 Ca 0.64 -0.99 0.06 0.00 -2.44 0.00 0.00 57.07 54.34 1xhh s TYR 3 Cb -0.08 -0.37 -0.04 0.00 0.35 0.00 0.00 41.96 41.83 1xhh s TYR 3 CO 0.46 -0.35 -0.01 -0.06 -1.34 0.00 0.00 175.55 174.25 1xhh s PHE 4 N -3.56 2.91 -0.31 4.97 0.40 -1.26 -2.37 117.98 118.76 1xhh s PHE 4 Ca 0.04 -0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.27 1xhh s PHE 4 Cb 0.05 -1.48 0.11 0.00 0.51 0.00 0.00 43.02 42.22 1xhh s PHE 4 CO -0.09 0.48 0.14 0.42 0.70 0.00 0.00 175.22 176.88 1xhh s ILE 5 N -1.41 0.29 0.39 0.64 1.01 0.25 -4.95 121.20 117.42 1xhh s ILE 5 Ca 0.26 -1.20 -0.27 0.00 0.00 0.00 0.00 60.65 59.44 1xhh s ILE 5 Cb -0.11 -1.23 -0.10 0.00 0.01 0.00 0.00 42.46 41.03 1xhh s ILE 5 CO 0.18 -0.77 1.40 -2.84 0.00 0.00 0.00 174.94 172.91 1xhh s PRO 6 N 1.69 4.04 -0.02 2.79 0.02 -1.26 -0.13 135.00 142.13 1xhh s PRO 6 Ca 0.11 2.39 -0.39 0.00 0.02 0.00 0.00 61.00 63.14 1xhh s PRO 6 Cb -0.18 -2.88 -0.18 0.00 0.02 0.00 0.00 34.50 31.28 1xhh s PRO 6 CO -0.25 -0.52 1.32 -1.71 -0.33 0.00 0.00 177.00 175.51 1xhh n ASN 7 N 0.32 1.19 0.00 2.53 2.85 -1.26 -4.80 115.26 116.09 1xhh n ASN 7 Ca 0.02 1.13 0.00 0.00 -0.11 0.00 0.00 54.58 55.62 1xhh n ASN 7 Cb 0.41 -1.08 0.00 0.00 1.24 0.00 0.00 39.78 40.35 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 2.61 0.80 -0.19 1.20 0.00 -1.26 -5.07 117.38 115.46 1xhh n GLN 8 Ca 0.21 -0.22 -0.10 0.00 0.00 0.00 0.00 57.00 56.88 1xhh n GLN 8 Cb 0.13 -0.66 0.10 0.00 0.00 0.00 0.00 30.24 29.81 1xhh n GLN 8 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1xhh n SER 9 N -0.18 -2.44 -0.06 2.61 3.41 -1.26 -4.93 113.62 110.77 1xhh n SER 9 Ca 0.00 -0.30 -0.11 0.00 -0.26 0.00 0.00 58.87 58.20 1xhh n SER 9 Cb 0.07 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 1xhh n SER 9 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1xhh h LEU 10 N 0.00 -0.01 -8.85 1.04 4.07 -2.02 -3.46 115.31 106.08 1xhh h LEU 10 Ca -0.14 -0.76 -0.67 0.00 0.08 0.00 0.00 57.88 56.39 1xhh h LEU 10 Cb 0.46 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 41.97 1xhh h LEU 10 CO 0.08 0.86 -0.86 -0.54 -1.08 0.00 0.00 178.44 176.90 1xhh s LYS 11 N -2.21 1.42 0.00 1.13 1.02 -1.26 -5.14 119.74 114.70 1xhh s LYS 11 Ca -0.15 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.56 1xhh s LYS 11 Cb -0.02 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 1xhh s LYS 11 CO 0.55 0.44 0.00 -0.35 -0.92 0.00 0.00 175.35 175.07 1xhh n PRO 12 N 1.08 -0.69 -3.68 -1.68 -0.04 -1.26 -4.25 135.00 124.47 1xhh n PRO 12 Ca -0.18 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.04 1xhh n PRO 12 Cb 0.53 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.05 1xhh n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xhh n ASN 13 N -1.92 -4.50 -3.54 3.54 3.02 -1.26 -4.97 115.26 105.62 1xhh n ASN 13 Ca 0.00 -0.66 -0.14 0.00 -0.03 0.00 0.00 54.58 53.75 1xhh n ASN 13 Cb 0.00 -4.56 -0.06 0.00 -0.61 0.00 0.00 39.78 34.55 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 -6.21 1.71 -0.46 3.52 2.02 -1.26 -2.70 118.70 115.32 1xhh s GLU 14 Ca 0.44 -1.68 0.06 0.00 0.02 0.00 0.00 54.97 53.81 1xhh s GLU 14 Cb -0.21 0.41 0.20 0.00 0.10 0.00 0.00 34.13 34.63 1xhh s GLU 14 CO 0.77 -0.68 0.60 0.00 0.02 0.00 0.00 175.26 175.97 1xhh s GLN 16 N 0.28 3.43 -0.04 0.00 0.74 -1.26 -3.60 119.66 119.21 1xhh s GLN 16 Ca 0.32 -0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.59 1xhh s GLN 16 Cb 0.08 -3.17 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1xhh s GLN 16 CO -0.14 0.76 -0.10 0.34 -0.55 0.00 0.00 175.29 175.60 1xhh s ASP 17 N -1.19 1.42 0.44 6.67 2.15 -1.24 -4.85 116.67 120.07 1xhh s ASP 17 Ca 0.17 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.93 1xhh s ASP 17 Cb -0.12 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.00 1xhh s ASP 17 CO 0.07 0.05 0.00 0.18 -0.17 0.00 0.00 175.17 175.30 1xhh n LEU 18 N 3.50 0.00 -0.04 -1.34 4.32 -1.26 -2.24 117.00 119.94 1xhh n LEU 18 Ca -0.20 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 55.81 1xhh n LEU 18 Cb 0.53 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.31 1xhh n LEU 18 CO 0.25 0.00 0.05 0.29 -1.22 0.00 0.00 177.39 176.76 1xhh n LYS 19 N 14.00 4.31 -0.08 3.23 4.76 -1.26 -4.68 118.16 138.44 1xhh n LYS 19 Ca 0.00 -0.16 -0.18 0.00 -2.87 0.00 0.00 58.31 55.10 1xhh n LYS 19 Cb 0.00 -0.80 -0.12 0.00 -1.84 0.00 0.00 35.03 32.26 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 1.16 0.02 -1.50 0.72 0.00 -1.91 -3.45 103.07 98.11 1xhh h GLY 20 Ca 0.00 -0.06 -0.50 0.00 0.00 0.00 0.00 47.33 46.77 1xhh h GLY 20 CO 0.00 0.05 0.37 0.14 0.00 0.00 0.00 176.54 177.10 1xhh s VAL 21 N -2.30 3.95 0.00 4.60 1.01 -0.95 -4.98 120.40 121.73 1xhh s VAL 21 Ca -0.23 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1xhh s VAL 21 Cb 0.01 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1xhh s VAL 21 CO 0.65 -0.71 0.00 -1.54 0.00 0.00 0.00 175.10 173.50 1xhh n SER 22 N -2.66 0.00 -3.75 3.32 3.41 -1.26 -3.74 113.62 108.94 1xhh n SER 22 Ca 0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.59 1xhh n SER 22 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1xhh n SER 22 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1xhh s HIS 23 N 0.00 -0.06 1.09 7.33 3.76 -1.24 -5.00 115.29 121.17 1xhh s HIS 23 Ca 0.00 -0.21 -0.15 0.00 -0.15 0.00 0.00 55.06 54.55 1xhh s HIS 23 Cb 0.00 0.10 0.15 0.00 1.11 0.00 0.00 32.58 33.94 1xhh s HIS 23 CO 0.00 -0.57 0.47 -2.30 -0.85 0.00 0.00 174.74 171.49 1xhh n PRO 24 N 0.16 -1.51 -1.55 8.40 -0.01 -1.26 -1.21 135.00 138.02 1xhh n PRO 24 Ca -0.17 -0.41 -0.18 0.00 -0.01 0.00 0.00 63.50 62.73 1xhh n PRO 24 Cb 0.62 -1.92 -0.09 0.00 -0.01 0.00 0.00 33.50 32.09 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 -2.79 1.36 0.00 2.45 0.00 -1.10 -4.09 117.00 112.83 1xhh n LEU 25 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 56.01 54.85 1xhh n LEU 25 Cb 0.57 -1.47 0.00 0.00 0.00 0.00 0.00 43.42 42.52 1xhh n LEU 25 CO 0.53 -2.29 0.04 0.59 0.00 0.00 0.00 177.39 176.26 1xhh n ASN 26 N 16.29 0.00 0.00 1.96 4.13 -1.26 -4.96 115.26 131.42 1xhh n ASN 26 Ca 0.49 0.40 0.00 0.00 1.68 0.00 0.00 54.58 57.16 1xhh n ASN 26 Cb 0.39 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 1xhh n ASN 26 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1xhh n SER 27 N -1.59 0.00 -4.70 6.41 7.64 -1.26 -5.13 113.62 114.99 1xhh n SER 27 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1xhh n SER 27 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1xhh n SER 27 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xhh s VAL 28 N -3.04 4.05 -0.15 0.44 0.11 -1.26 -3.82 120.40 116.73 1xhh s VAL 28 Ca 0.00 -1.05 -0.09 0.00 -2.93 0.00 0.00 61.98 57.92 1xhh s VAL 28 Cb 0.00 -2.96 0.05 0.00 -1.53 0.00 0.00 36.38 31.95 1xhh s VAL 28 CO 0.00 0.07 0.37 -1.66 -3.33 0.00 0.00 175.10 170.55 1xhh s TRP 29 N -1.42 -0.53 0.20 1.54 -2.14 -0.83 -4.97 118.94 110.79 1xhh s TRP 29 Ca 0.27 1.16 0.08 0.00 2.66 0.00 0.00 56.10 60.27 1xhh s TRP 29 Cb -0.11 0.21 -0.04 0.00 -3.10 0.00 0.00 33.47 30.43 1xhh s TRP 29 CO 0.19 -0.31 -0.02 0.15 -2.66 0.00 0.00 176.95 174.29 1xhh s LYS 30 N 1.31 2.29 -0.54 3.25 1.02 -1.26 -2.63 119.74 123.19 1xhh s LYS 30 Ca -0.09 -1.23 0.04 0.00 0.02 0.00 0.00 55.97 54.71 1xhh s LYS 30 Cb -0.09 -2.26 0.15 0.00 -0.52 0.00 0.00 37.83 35.12 1xhh s LYS 30 CO -0.11 0.43 0.33 0.95 -0.92 0.00 0.00 175.35 176.03 1xhh s THR 31 N -1.87 2.03 0.00 2.17 -4.23 -0.28 -4.99 115.64 108.47 1xhh s THR 31 Ca 0.28 -3.28 0.00 0.00 -1.18 0.00 0.00 61.69 57.51 1xhh s THR 31 Cb -0.08 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1xhh s THR 31 CO 0.18 -0.94 0.00 0.29 -0.54 0.00 0.00 174.62 173.61 1xhh n LYS 32 N 2.88 0.00 0.00 3.99 5.02 -1.26 -1.52 118.16 127.27 1xhh n LYS 32 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1xhh n LYS 32 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 1xhh n LYS 32 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xhh n ASP 33 N 4.40 0.05 -0.04 4.39 9.92 -1.26 -4.84 116.55 129.17 1xhh n ASP 33 Ca 0.00 -0.92 -0.14 0.00 -0.53 0.00 0.00 54.79 53.19 1xhh n ASP 33 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1xhh n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xhh s GLU 35 N -3.90 0.79 -0.29 0.00 2.12 -1.20 -2.71 118.70 113.51 1xhh s GLU 35 Ca -0.14 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.36 1xhh s GLU 35 Cb 0.05 0.33 0.14 0.00 0.26 0.00 0.00 34.13 34.91 1xhh s GLU 35 CO 0.78 -0.25 0.33 -1.21 -0.54 0.00 0.00 175.26 174.37 1xhh s GLU 36 N -3.38 0.35 -0.11 4.30 2.02 -1.08 -1.13 118.70 119.67 1xhh s GLU 36 Ca 0.01 -0.05 0.02 0.00 0.02 0.00 0.00 54.97 54.97 1xhh s GLU 36 Cb 0.03 -0.54 -0.01 0.00 0.10 0.00 0.00 34.13 33.70 1xhh s GLU 36 CO -0.08 -1.03 -0.16 0.00 0.02 0.00 0.00 175.26 174.01 1xhh s THR 38 N 0.15 1.67 -0.57 0.00 -4.23 0.34 -1.96 115.64 111.03 1xhh s THR 38 Ca -0.08 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 58.33 1xhh s THR 38 Cb -0.15 -1.89 0.15 0.00 1.34 0.00 0.00 72.50 71.94 1xhh s THR 38 CO 0.05 -0.49 0.41 0.00 -0.54 0.00 0.00 174.62 174.05 1xhh s GLY 40 N 1.54 2.40 0.00 0.00 0.00 0.65 -4.82 107.32 107.09 1xhh s GLY 40 Ca 0.13 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1xhh s GLY 40 CO -0.04 2.04 0.64 -1.06 0.00 0.00 0.00 173.10 174.69 1xhh n GLN 41 N 4.11 0.00 0.00 2.90 6.02 -1.26 -0.46 117.38 128.68 1xhh n GLN 41 Ca 0.09 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1xhh n GLN 41 Cb 0.47 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1xhh n GLN 41 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1xhh n ASP 42 N -1.14 3.84 -3.10 1.08 5.68 -1.26 -4.97 116.55 116.68 1xhh n ASP 42 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.21 1xhh n ASP 42 Cb 0.10 0.67 0.02 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.86 -0.09 2.12 0.00 0.39 -4.04 121.76 117.68 1xhh s ALA 43 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1xhh s ALA 43 Cb 0.00 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1xhh s ALA 43 CO 0.00 -1.00 -0.19 0.42 0.00 0.00 0.00 175.76 174.99 1xhh s ILE 44 N -2.56 1.72 -0.09 0.00 1.01 0.82 0.24 121.20 122.33 1xhh s ILE 44 Ca 0.15 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1xhh s ILE 44 Cb -0.05 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1xhh s ILE 44 CO 0.10 0.48 -0.05 -0.55 0.00 0.00 0.00 174.94 174.93 1xhh s SER 45 N 0.56 4.76 -0.06 3.58 0.15 -1.00 0.88 113.70 122.56 1xhh s SER 45 Ca -0.15 -0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 1xhh s SER 45 Cb -0.17 -1.34 0.04 0.00 -1.71 0.00 0.00 66.02 62.84 1xhh s SER 45 CO 0.05 0.33 0.13 0.00 1.20 0.00 0.00 173.24 174.95 1xhh s ASN 48 N -2.91 0.73 -0.01 0.00 4.22 -1.26 -2.65 114.94 113.06 1xhh s ASN 48 Ca 0.26 0.12 0.14 0.00 -2.14 0.00 0.00 52.86 51.24 1xhh s ASN 48 Cb -0.09 -0.04 -0.17 0.00 1.28 0.00 0.00 41.25 42.23 1xhh s ASN 48 CO 0.16 -0.21 0.50 0.41 -2.04 0.00 0.00 177.10 175.92 1xhh n THR 49 N 4.95 0.00 -1.22 0.54 -1.04 -1.10 -4.74 114.28 111.67 1xhh n THR 49 Ca -0.11 -0.22 -0.31 0.00 -2.04 0.00 0.00 64.05 61.36 1xhh n THR 49 Cb 0.50 0.73 0.10 0.00 -1.82 0.00 0.00 70.33 69.84 1xhh n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xhh s ALA 50 N -2.54 2.14 1.00 2.41 0.00 -1.26 -4.98 121.76 118.55 1xhh s ALA 50 Ca 0.02 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 1xhh s ALA 50 Cb 0.10 -3.31 0.13 0.00 0.00 0.00 0.00 23.12 20.04 1xhh s ALA 50 CO 0.58 -1.89 0.14 0.00 0.00 0.00 0.00 175.76 174.59 1xhh n ALA 51 N -3.50 -1.39 -3.25 0.00 0.00 -1.26 -5.00 120.51 106.10 1xhh n ALA 51 Ca 0.10 -1.06 -0.23 0.00 0.00 0.00 0.00 53.44 52.25 1xhh n ALA 51 Cb 0.53 -0.94 -0.16 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.09 1.01 0.04 0.00 1.09 -1.24 -4.82 121.20 115.19 1xhh s ILE 52 Ca 0.38 -0.45 -0.33 0.00 -1.10 0.00 0.00 60.65 59.16 1xhh s ILE 52 Cb -0.06 -0.92 -0.11 0.00 -1.06 0.00 0.00 42.46 40.31 1xhh s ILE 52 CO 0.40 0.32 1.83 -2.65 -0.10 0.00 0.00 174.94 174.73 1xhh n PRO 53 N 3.56 2.45 -4.27 2.79 -0.01 -1.26 -2.65 135.00 135.61 1xhh n PRO 53 Ca -0.21 0.89 -0.26 0.00 -0.01 0.00 0.00 63.50 63.91 1xhh n PRO 53 Cb 0.53 -2.76 -0.07 0.00 -0.01 0.00 0.00 33.50 31.19 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 3.15 2.05 0.00 3.45 -4.23 0.25 -4.59 115.64 115.71 1xhh s THR 54 Ca 0.86 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1xhh s THR 54 Cb -0.59 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1xhh s THR 54 CO 0.43 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 1xhh n GLY 55 N -1.25 1.31 3.64 3.99 0.00 -1.26 -3.00 105.19 108.62 1xhh n GLY 55 Ca -0.04 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.11 1.91 -2.14 1.61 9.36 -1.26 -4.81 117.16 121.71 1xhh n TYR 56 Ca 0.00 0.54 -0.43 0.00 3.32 0.00 0.00 57.90 61.33 1xhh n TYR 56 Cb 0.00 -2.45 -0.02 0.00 -0.63 0.00 0.00 39.34 36.24 1xhh n TYR 56 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1xhh s ASP 57 N 4.33 6.22 -0.96 2.98 1.11 -1.26 -4.85 116.67 124.23 1xhh s ASP 57 Ca 1.02 1.32 -0.25 0.00 0.18 0.00 0.00 52.55 54.82 1xhh s ASP 57 Cb -1.09 -2.53 -0.21 0.00 1.07 0.00 0.00 42.92 40.16 1xhh s ASP 57 CO 0.64 -1.44 2.10 0.35 1.18 0.00 0.00 175.17 178.00 1xhh n THR 58 N 6.90 0.00 -0.09 -1.27 -2.24 -1.26 -4.57 114.28 111.75 1xhh n THR 58 Ca 0.20 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1xhh n THR 58 Cb 0.46 -1.83 -0.04 0.00 -2.10 0.00 0.00 70.33 66.82 1xhh n THR 58 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xhh n ASN 59 N 18.63 1.88 -2.67 3.42 4.05 -1.26 -4.94 115.26 134.36 1xhh n ASN 59 Ca 0.40 0.47 -0.05 0.00 0.45 0.00 0.00 54.58 55.85 1xhh n ASN 59 Cb 0.46 -0.83 0.06 0.00 1.23 0.00 0.00 39.78 40.69 1xhh n ASN 59 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1xhh n LYS 60 N -4.50 0.45 -4.12 1.20 3.00 -1.26 -5.16 118.16 107.77 1xhh n LYS 60 Ca -0.18 -1.05 -0.13 0.00 -0.00 0.00 0.00 58.31 56.95 1xhh n LYS 60 Cb 0.48 -0.18 -0.07 0.00 0.00 0.00 0.00 35.03 35.26 1xhh n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xhh s GLN 62 N -3.68 1.54 -0.01 0.00 0.74 -0.40 -4.95 119.66 112.91 1xhh s GLN 62 Ca 0.32 -1.85 0.02 0.00 0.05 0.00 0.00 55.36 53.90 1xhh s GLN 62 Cb 0.02 -0.55 -0.03 0.00 1.10 0.00 0.00 33.01 33.55 1xhh s GLN 62 CO 0.16 -0.26 -0.03 -1.59 -0.55 0.00 0.00 175.29 173.02 1xhh s LYS 63 N -3.95 2.69 -0.04 1.67 -2.85 -1.26 -1.95 119.74 114.03 1xhh s LYS 63 Ca 0.37 -0.65 -0.01 0.00 -1.00 0.00 0.00 55.97 54.67 1xhh s LYS 63 Cb 0.08 -2.59 0.03 0.00 -2.06 0.00 0.00 37.83 33.29 1xhh s LYS 63 CO 0.15 0.62 0.09 -1.50 0.10 0.00 0.00 175.35 174.81 1xhh s ILE 64 N -1.02 -0.06 -0.54 3.79 -1.16 -0.17 -4.94 121.20 117.10 1xhh s ILE 64 Ca 0.18 0.21 -0.22 0.00 -0.51 0.00 0.00 60.65 60.31 1xhh s ILE 64 Cb -0.11 -0.16 0.05 0.00 0.61 0.00 0.00 42.46 42.84 1xhh s ILE 64 CO 0.08 0.09 0.81 -0.22 -2.81 0.00 0.00 174.94 172.89 1xhh s LEU 65 N 1.20 4.49 -0.09 8.50 2.96 -1.26 -1.48 118.68 133.00 1xhh s LEU 65 Ca -0.08 -0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 52.89 1xhh s LEU 65 Cb -0.12 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1xhh s LEU 65 CO -0.04 -1.11 1.03 0.21 -1.32 0.00 0.00 176.35 175.12 1xhh s ASN 66 N 2.85 7.23 0.00 3.68 3.04 -0.47 -4.90 114.94 126.38 1xhh s ASN 66 Ca 0.23 1.57 0.25 0.00 0.04 0.00 0.00 52.86 54.96 1xhh s ASN 66 Cb -0.16 -2.56 1.38 0.00 -1.54 0.00 0.00 41.25 38.37 1xhh s ASN 66 CO 0.15 -0.45 1.90 2.29 -3.04 0.00 0.00 177.10 177.96 1xhh n LYS 67 N 4.94 1.16 0.17 0.43 -0.00 -1.26 -2.42 118.16 121.18 1xhh n LYS 67 Ca 0.09 -0.24 -0.14 0.00 -0.00 0.00 0.00 58.31 58.02 1xhh n LYS 67 Cb 0.49 -1.41 -0.07 0.00 -0.00 0.00 0.00 35.03 34.04 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 0.53 -0.45 0.00 -1.58 3.64 -1.94 -3.30 116.57 113.47 1xhh h LYS 68 Ca 0.00 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1xhh h LYS 68 Cb 0.11 0.10 -0.17 0.00 -0.41 0.00 0.00 32.23 31.87 1xhh h LYS 68 CO 0.00 -0.30 -0.69 0.25 -2.27 0.00 0.00 179.45 176.44 1xhh n THR 69 N -5.33 1.03 -3.33 1.00 -2.24 -1.25 -5.02 114.28 99.14 1xhh n THR 69 Ca -0.09 -1.91 -0.15 0.00 -2.27 0.00 0.00 64.05 59.64 1xhh n THR 69 Cb 0.24 0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.72 0.03 -0.06 0.00 -1.32 -1.01 -5.01 115.64 105.55 1xhh s THR 71 Ca 0.09 -1.30 0.01 0.00 -1.21 0.00 0.00 61.69 59.28 1xhh s THR 71 Cb -0.02 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 68.99 1xhh s THR 71 CO 0.82 -0.14 -0.04 -0.31 -2.21 0.00 0.00 174.62 172.74 1xhh s TYR 72 N -3.98 3.01 0.05 9.09 1.51 -1.26 -1.37 117.35 124.39 1xhh s TYR 72 Ca 0.19 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.32 1xhh s TYR 72 Cb 0.01 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1xhh s TYR 72 CO 0.03 0.39 -0.06 0.95 -1.11 0.00 0.00 175.55 175.75 1xhh s THR 73 N -0.89 0.43 -0.24 -0.71 -4.23 -0.55 -4.95 115.64 104.51 1xhh s THR 73 Ca 0.14 -1.29 -0.05 0.00 -1.18 0.00 0.00 61.69 59.31 1xhh s THR 73 Cb -0.11 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 1xhh s THR 73 CO 0.03 -0.58 0.00 -0.69 -0.54 0.00 0.00 174.62 172.85 1xhh s VAL 74 N -2.14 3.72 0.40 2.29 1.01 -1.26 -0.99 120.40 123.43 1xhh s VAL 74 Ca -0.05 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1xhh s VAL 74 Cb -0.05 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1xhh s VAL 74 CO -0.02 0.37 0.30 0.68 0.00 0.00 0.00 175.10 176.42 1xhh s VAL 75 N 1.53 2.68 -0.10 2.92 -7.23 -0.82 -0.24 120.40 119.13 1xhh s VAL 75 Ca 0.06 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1xhh s VAL 75 Cb -0.15 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 1xhh s VAL 75 CO -0.01 -0.03 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.09 1xhh s GLU 76 N -4.03 3.13 0.00 4.82 2.02 -1.25 -1.28 118.70 122.11 1xhh s GLU 76 Ca 0.45 -0.52 0.06 0.00 0.02 0.00 0.00 54.97 54.98 1xhh s GLU 76 Cb -0.01 -2.74 0.27 0.00 0.10 0.00 0.00 34.13 31.75 1xhh s GLU 76 CO 0.26 0.51 1.19 1.63 0.02 0.00 0.00 175.26 178.88 1xhh n LYS 77 N 2.69 0.00 -0.03 1.61 4.76 -1.26 -1.32 118.16 124.61 1xhh n LYS 77 Ca -0.18 0.38 0.02 0.00 -2.87 0.00 0.00 58.31 55.66 1xhh n LYS 77 Cb 0.53 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.26 1xhh n LYS 77 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xhh n LYS 78 N -1.49 1.46 -2.79 1.97 4.01 -1.26 -4.80 118.16 115.25 1xhh n LYS 78 Ca 0.02 -1.27 -0.10 0.00 -0.51 0.00 0.00 58.31 56.45 1xhh n LYS 78 Cb 0.07 -1.08 0.04 0.00 -0.51 0.00 0.00 35.03 33.55 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1xhh n ASP 79 N 0.01 -2.51 -0.92 4.39 2.03 -0.44 -4.99 116.55 114.13 1xhh n ASP 79 Ca 0.03 -3.30 0.00 0.00 0.52 0.00 0.00 54.79 52.04 1xhh n ASP 79 Cb 0.22 1.59 0.00 0.00 -0.72 0.00 0.00 41.12 42.21 1xhh n ASP 79 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xhh n PRO 80 N 1.45 0.22 0.00 -0.67 -0.05 -1.17 -2.11 135.00 132.68 1xhh n PRO 80 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.55 1xhh n PRO 80 Cb 0.63 -1.34 0.00 0.00 -0.05 0.00 0.00 33.50 32.74 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 0.81 0.00 3.52 0.55 0.00 -1.26 -4.92 105.19 103.89 1xhh n GLY 81 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.51 1.90 0.46 1.61 1.02 -0.90 -5.12 119.74 117.21 1xhh s LYS 82 Ca 0.00 -1.18 -0.09 0.00 0.02 0.00 0.00 55.97 54.72 1xhh s LYS 82 Cb 0.00 -2.15 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 1xhh s LYS 82 CO 0.00 0.47 0.82 0.95 -0.92 0.00 0.00 175.35 176.68 1xhh s THR 83 N -1.29 4.79 0.00 2.17 -4.23 -1.26 -4.00 115.64 111.82 1xhh s THR 83 Ca 0.20 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1xhh s THR 83 Cb -0.10 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1xhh s THR 83 CO 0.12 -0.70 0.00 0.00 -0.54 0.00 0.00 174.62 173.50 1xhh s ASP 85 N -1.00 7.21 0.30 0.00 -1.08 -1.26 -4.92 116.67 115.92 1xhh s ASP 85 Ca 0.00 1.67 0.05 0.00 -0.52 0.00 0.00 52.55 53.74 1xhh s ASP 85 Cb 0.00 -2.52 -0.06 0.00 -1.46 0.00 0.00 42.92 38.88 1xhh s ASP 85 CO 0.00 -0.04 0.01 -0.69 0.52 0.00 0.00 175.17 174.97 1xhh s VAL 86 N -1.61 1.33 0.00 1.11 1.01 -1.26 -4.82 120.40 116.16 1xhh s VAL 86 Ca 0.48 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1xhh s VAL 86 Cb -0.17 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1xhh s VAL 86 CO 0.22 -0.14 0.00 0.41 0.00 0.00 0.00 175.10 175.59 1xhh n THR 87 N -0.62 0.00 0.00 3.92 -1.04 -1.26 -4.90 114.28 110.38 1xhh n THR 87 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1xhh n THR 87 Cb 0.65 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 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 1.81 0.47 3.38 3.41 0.00 -1.16 -5.00 105.19 108.10 1xhh n GLY 88 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 2.16 -0.28 1.61 0.51 -1.26 0.85 118.94 120.52 1xhh s TRP 89 Ca 0.00 -0.39 0.03 0.00 -2.12 0.00 0.00 56.10 53.62 1xhh s TRP 89 Cb 0.00 -1.11 0.08 0.00 -0.81 0.00 0.00 33.47 31.62 1xhh s TRP 89 CO 0.00 0.39 -0.03 0.08 -0.51 0.00 0.00 176.95 176.87 1xhh s VAL 90 N -1.48 2.00 -2.06 4.03 1.01 -1.08 -4.85 120.40 117.96 1xhh s VAL 90 Ca 0.16 -1.77 0.32 0.00 0.00 0.00 0.00 61.98 60.68 1xhh s VAL 90 Cb -0.08 -2.28 0.87 0.00 0.00 0.00 0.00 36.38 34.88 1xhh s VAL 90 CO 0.07 -0.27 2.17 -0.11 0.00 0.00 0.00 175.10 176.96