#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 -2.81 2.85 -0.11 0.00 6.14 0.14 -4.95 117.35 118.61 1xhh s TYR 3 Ca 0.00 -0.51 -0.01 0.00 0.64 0.00 0.00 57.07 57.19 1xhh s TYR 3 Cb 0.00 -1.85 -0.03 0.00 0.42 0.00 0.00 41.96 40.51 1xhh s TYR 3 CO 0.00 -0.13 -0.07 -0.06 0.64 0.00 0.00 175.55 175.94 1xhh s PHE 4 N 0.23 2.95 -0.08 4.97 0.40 -1.26 -0.02 117.98 125.17 1xhh s PHE 4 Ca -0.07 -0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1xhh s PHE 4 Cb -0.15 -1.83 0.03 0.00 0.51 0.00 0.00 43.02 41.58 1xhh s PHE 4 CO 0.05 0.09 0.01 0.42 0.70 0.00 0.00 175.22 176.49 1xhh s ILE 5 N -0.14 0.35 0.82 0.64 1.01 0.20 -4.99 121.20 119.10 1xhh s ILE 5 Ca 0.02 0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.62 1xhh s ILE 5 Cb -0.13 -0.55 0.09 0.00 0.01 0.00 0.00 42.46 41.88 1xhh s ILE 5 CO 0.03 0.21 1.20 -2.84 0.00 0.00 0.00 174.94 173.53 1xhh s PRO 6 N 1.98 1.55 0.21 2.79 0.02 -1.26 -0.41 135.00 139.88 1xhh s PRO 6 Ca 0.04 1.73 -0.32 0.00 0.02 0.00 0.00 61.00 62.48 1xhh s PRO 6 Cb -0.13 -1.77 -0.14 0.00 0.02 0.00 0.00 34.50 32.48 1xhh s PRO 6 CO -0.05 -2.27 1.28 -1.71 -0.33 0.00 0.00 177.00 173.92 1xhh n ASN 7 N -3.43 2.09 -0.51 2.53 4.05 -0.90 -4.71 115.26 114.38 1xhh n ASN 7 Ca 0.13 1.14 -0.00 0.00 0.45 0.00 0.00 54.58 56.31 1xhh n ASN 7 Cb 0.51 -1.33 -0.00 0.00 1.23 0.00 0.00 39.78 40.18 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 1.84 0.00 0.00 1.20 0.00 -1.26 -5.03 117.38 114.13 1xhh n GLN 8 Ca 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 57.00 56.68 1xhh n GLN 8 Cb 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 30.24 30.32 1xhh n GLN 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1xhh n SER 9 N 0.00 -0.52 -0.02 2.61 2.88 -1.26 -4.95 113.62 112.36 1xhh n SER 9 Ca -0.00 -0.07 -0.07 0.00 -1.33 0.00 0.00 58.87 57.40 1xhh n SER 9 Cb 0.59 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.92 1xhh n SER 9 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xhh n LEU 10 N 0.00 0.68 -3.93 2.46 4.77 -1.26 -4.94 117.00 114.78 1xhh n LEU 10 Ca 0.00 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 1xhh n LEU 10 Cb 0.00 0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 1xhh n LEU 10 CO 0.00 0.35 -0.36 -0.54 -1.33 0.00 0.00 177.39 175.51 1xhh s LYS 11 N -2.67 0.19 0.00 3.23 1.02 -1.26 -5.03 119.74 115.22 1xhh s LYS 11 Ca -0.05 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1xhh s LYS 11 Cb 0.08 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1xhh s LYS 11 CO 0.83 -0.03 0.88 -0.35 -0.92 0.00 0.00 175.35 175.76 1xhh n PRO 12 N 2.19 0.00 -1.56 -1.68 -0.04 -1.26 -3.00 135.00 129.64 1xhh n PRO 12 Ca -0.19 -0.41 -0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1xhh n PRO 12 Cb 0.57 -1.88 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 1xhh n PRO 12 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xhh n ASN 13 N 4.61 -0.18 -4.02 3.54 0.23 -1.26 -5.10 115.26 113.07 1xhh n ASN 13 Ca 0.00 -1.08 -0.09 0.00 -0.53 0.00 0.00 54.58 52.87 1xhh n ASN 13 Cb 0.00 0.08 -0.06 0.00 -2.08 0.00 0.00 39.78 37.72 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1xhh s GLU 14 N 0.01 1.48 -0.35 -3.83 2.02 -1.16 -3.28 118.70 113.59 1xhh s GLU 14 Ca 0.01 -1.30 -0.00 0.00 0.02 0.00 0.00 54.97 53.70 1xhh s GLU 14 Cb 0.05 0.44 0.11 0.00 0.10 0.00 0.00 34.13 34.83 1xhh s GLU 14 CO -0.01 -0.60 0.15 0.00 0.02 0.00 0.00 175.26 174.82 1xhh s GLN 16 N 1.29 1.57 -0.09 0.00 0.74 -1.26 -1.70 119.66 120.21 1xhh s GLN 16 Ca 0.13 -0.74 0.01 0.00 0.05 0.00 0.00 55.36 54.81 1xhh s GLN 16 Cb -0.20 -1.54 0.02 0.00 1.10 0.00 0.00 33.01 32.39 1xhh s GLN 16 CO -0.17 0.42 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.37 1xhh s ASP 17 N -0.56 1.98 0.82 6.67 1.11 -1.25 -4.66 116.67 120.78 1xhh s ASP 17 Ca 0.08 -0.32 0.00 0.00 0.18 0.00 0.00 52.55 52.49 1xhh s ASP 17 Cb -0.08 -0.86 0.00 0.00 1.07 0.00 0.00 42.92 43.05 1xhh s ASP 17 CO -0.00 -0.02 0.00 0.18 1.18 0.00 0.00 175.17 176.51 1xhh n LEU 18 N 4.22 0.00 -0.40 1.23 4.77 -1.26 -2.72 117.00 122.84 1xhh n LEU 18 Ca -0.19 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.85 1xhh n LEU 18 Cb 0.51 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.75 1xhh n LEU 18 CO 0.22 0.00 0.61 1.17 -1.33 0.00 0.00 177.39 178.06 1xhh n LYS 19 N 3.85 2.43 -0.07 3.23 3.00 -1.26 -4.63 118.16 124.70 1xhh n LYS 19 Ca 0.00 -2.33 -0.10 0.00 -0.00 0.00 0.00 58.31 55.89 1xhh n LYS 19 Cb 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 35.03 33.50 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 -0.60 -0.31 3.90 3.14 0.00 -1.22 -4.66 105.19 105.45 1xhh n GLY 20 Ca 0.13 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.31 4.95 -0.30 1.61 1.01 -1.10 -5.01 120.40 119.24 1xhh s VAL 21 Ca -0.18 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 1xhh s VAL 21 Cb 0.05 -3.77 0.19 0.00 0.00 0.00 0.00 36.38 32.84 1xhh s VAL 21 CO 0.40 -0.50 0.99 -0.94 0.00 0.00 0.00 175.10 175.05 1xhh s SER 22 N -3.44 -0.54 0.00 3.32 1.04 -1.26 -3.86 113.70 108.95 1xhh s SER 22 Ca 0.46 0.00 -0.15 0.00 0.48 0.00 0.00 55.95 56.74 1xhh s SER 22 Cb -0.10 1.22 0.02 0.00 0.10 0.00 0.00 66.02 67.26 1xhh s SER 22 CO 0.34 -0.09 0.33 -1.00 0.98 0.00 0.00 173.24 173.79 1xhh s HIS 23 N 2.76 -0.18 0.94 5.02 3.76 -0.69 -5.01 115.29 121.88 1xhh s HIS 23 Ca 0.24 0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 55.26 1xhh s HIS 23 Cb -0.02 0.11 0.09 0.00 1.11 0.00 0.00 32.58 33.88 1xhh s HIS 23 CO -0.22 -0.43 0.78 -0.35 -0.85 0.00 0.00 174.74 173.67 1xhh n PRO 24 N 1.06 -0.39 0.00 8.40 -0.04 -1.26 0.78 135.00 143.55 1xhh n PRO 24 Ca -0.21 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1xhh n PRO 24 Cb 0.57 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1xhh n PRO 24 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xhh n LEU 25 N -2.80 0.00 -3.30 1.53 0.00 -1.21 -3.92 117.00 107.31 1xhh n LEU 25 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 56.01 55.83 1xhh n LEU 25 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 43.42 43.98 1xhh n LEU 25 CO 0.50 -1.06 -0.23 0.59 0.00 0.00 0.00 177.39 177.20 1xhh n ASN 26 N -2.24 -6.27 -3.15 1.96 4.13 -1.26 -4.88 115.26 103.55 1xhh n ASN 26 Ca 0.00 0.11 0.06 0.00 1.68 0.00 0.00 54.58 56.43 1xhh n ASN 26 Cb 0.00 -2.67 -0.01 0.00 -1.54 0.00 0.00 39.78 35.56 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1xhh s SER 27 N -1.70 -0.31 -0.10 6.41 1.04 -1.26 -5.12 113.70 112.66 1xhh s SER 27 Ca 0.31 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.82 1xhh s SER 27 Cb -0.04 1.22 -0.03 0.00 0.10 0.00 0.00 66.02 67.26 1xhh s SER 27 CO 0.77 -0.06 -0.05 0.68 0.98 0.00 0.00 173.24 175.56 1xhh s VAL 28 N 2.97 3.82 -0.14 5.02 -7.23 -1.26 -3.93 120.40 119.64 1xhh s VAL 28 Ca 0.16 -0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 59.79 1xhh s VAL 28 Cb -0.04 -2.60 0.04 0.00 0.56 0.00 0.00 36.38 34.33 1xhh s VAL 28 CO -0.17 0.56 0.36 -1.66 -0.31 0.00 0.00 175.10 173.88 1xhh s TRP 29 N -0.41 -0.40 0.04 2.82 -2.14 -1.04 -5.04 118.94 112.77 1xhh s TRP 29 Ca 0.06 0.98 -0.01 0.00 2.66 0.00 0.00 56.10 59.79 1xhh s TRP 29 Cb -0.12 0.14 -0.03 0.00 -3.10 0.00 0.00 33.47 30.36 1xhh s TRP 29 CO 0.02 -0.20 -0.03 -1.59 -2.66 0.00 0.00 176.95 172.50 1xhh s LYS 30 N 0.25 0.48 0.64 3.25 0.00 -1.26 -2.58 119.74 120.51 1xhh s LYS 30 Ca -0.00 -0.94 0.04 0.00 0.00 0.00 0.00 55.97 55.07 1xhh s LYS 30 Cb -0.03 0.17 0.10 0.00 0.00 0.00 0.00 37.83 38.07 1xhh s LYS 30 CO -0.00 -0.09 0.88 0.95 0.00 0.00 0.00 175.35 177.09 1xhh s THR 31 N -2.80 2.20 0.24 3.79 -4.23 -0.67 -5.00 115.64 109.17 1xhh s THR 31 Ca -0.03 -0.79 -0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1xhh s THR 31 Cb -0.00 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1xhh s THR 31 CO -0.06 0.00 1.65 0.07 -0.54 0.00 0.00 174.62 175.74 1xhh h LYS 32 N -0.15 0.56 -0.08 3.99 -0.00 -1.98 -3.43 116.57 115.49 1xhh h LYS 32 Ca -0.34 -0.25 0.00 0.00 -0.00 0.00 0.00 60.65 60.07 1xhh h LYS 32 Cb 1.28 -0.02 -0.15 0.00 -0.00 0.00 0.00 32.23 33.35 1xhh h LYS 32 CO 0.41 0.81 -0.07 -0.40 -0.00 0.00 0.00 179.45 180.20 1xhh n ASP 33 N -4.08 -1.25 0.00 7.07 5.68 -1.26 -5.02 116.55 117.69 1xhh n ASP 33 Ca -0.01 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 1xhh n ASP 33 Cb 0.46 0.64 0.00 0.00 -1.14 0.00 0.00 41.12 41.08 1xhh n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xhh s GLU 35 N -0.66 1.15 -0.29 0.00 2.12 -1.26 -3.16 118.70 116.59 1xhh s GLU 35 Ca 0.00 -0.04 -0.01 0.00 0.36 0.00 0.00 54.97 55.28 1xhh s GLU 35 Cb 0.00 0.54 0.13 0.00 0.26 0.00 0.00 34.13 35.06 1xhh s GLU 35 CO 0.00 -0.42 0.28 -1.21 -0.54 0.00 0.00 175.26 173.37 1xhh s GLU 36 N -2.25 0.32 -0.20 4.30 2.02 -1.06 -1.66 118.70 120.17 1xhh s GLU 36 Ca -0.06 -0.21 -0.03 0.00 0.02 0.00 0.00 54.97 54.68 1xhh s GLU 36 Cb -0.00 -0.71 -0.01 0.00 0.10 0.00 0.00 34.13 33.50 1xhh s GLU 36 CO 0.00 -1.04 -0.06 0.00 0.02 0.00 0.00 175.26 174.19 1xhh s THR 38 N 1.16 1.96 -0.46 0.00 -4.23 -0.42 -2.49 115.64 111.15 1xhh s THR 38 Ca 0.02 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.56 1xhh s THR 38 Cb -0.14 -1.89 0.12 0.00 1.34 0.00 0.00 72.50 71.93 1xhh s THR 38 CO -0.01 -0.23 0.30 0.00 -0.54 0.00 0.00 174.62 174.14 1xhh s GLY 40 N 2.20 1.63 0.09 0.00 0.00 0.21 -4.76 107.32 106.68 1xhh s GLY 40 Ca 0.08 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.37 1xhh s GLY 40 CO -0.02 -0.20 1.65 1.46 0.00 0.00 0.00 173.10 175.99 1xhh h GLN 41 N -2.60 -0.60 0.00 2.90 1.08 -2.03 -3.32 115.11 110.54 1xhh h GLN 41 Ca -0.42 0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 56.73 1xhh h GLN 41 Cb 1.27 0.14 -0.20 0.00 -0.05 0.00 0.00 27.48 28.64 1xhh h GLN 41 CO 0.28 -0.40 -0.77 -0.25 -0.95 0.00 0.00 178.83 176.75 1xhh n ASP 42 N -5.38 1.34 -3.66 1.46 8.00 -1.26 -5.01 116.55 112.05 1xhh n ASP 42 Ca -0.10 -2.93 -0.14 0.00 0.71 0.00 0.00 54.79 52.33 1xhh n ASP 42 Cb 0.29 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xhh s ALA 43 N -1.58 -1.58 -0.17 2.24 0.00 -1.25 -2.12 121.76 117.30 1xhh s ALA 43 Ca 0.36 1.81 -0.04 0.00 0.00 0.00 0.00 51.96 54.09 1xhh s ALA 43 Cb 0.38 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1xhh s ALA 43 CO -0.12 -0.30 -0.04 0.42 0.00 0.00 0.00 175.76 175.72 1xhh s ILE 44 N 0.34 3.76 -0.26 0.00 1.01 0.45 0.63 121.20 127.14 1xhh s ILE 44 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1xhh s ILE 44 Cb -0.04 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1xhh s ILE 44 CO 0.01 0.48 0.03 -0.55 0.00 0.00 0.00 174.94 174.90 1xhh s SER 45 N 0.61 4.80 -0.11 3.58 0.15 -0.95 -0.62 113.70 121.15 1xhh s SER 45 Ca -0.03 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.08 1xhh s SER 45 Cb -0.14 -1.82 0.01 0.00 -1.71 0.00 0.00 66.02 62.36 1xhh s SER 45 CO 0.02 -0.11 -0.18 0.00 1.20 0.00 0.00 173.24 174.17 1xhh s ASN 48 N -2.40 1.75 0.00 0.00 6.03 -1.26 -2.57 114.94 116.49 1xhh s ASN 48 Ca 0.26 -0.32 0.21 0.00 -1.03 0.00 0.00 52.86 51.98 1xhh s ASN 48 Cb -0.11 0.02 -0.15 0.00 -3.03 0.00 0.00 41.25 37.98 1xhh s ASN 48 CO 0.18 -0.32 0.96 0.35 -2.03 0.00 0.00 177.10 176.24 1xhh n THR 49 N 5.30 0.00 -1.27 0.54 -2.24 -1.19 -4.96 114.28 110.46 1xhh n THR 49 Ca -0.06 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 1xhh n THR 49 Cb 0.49 0.95 0.10 0.00 -2.10 0.00 0.00 70.33 69.77 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 -2.96 2.18 0.98 6.98 0.00 -1.26 -4.97 121.76 122.72 1xhh s ALA 50 Ca 0.09 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 1xhh s ALA 50 Cb 0.16 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 20.12 1xhh s ALA 50 CO 0.83 -1.82 0.60 0.00 0.00 0.00 0.00 175.76 175.37 1xhh n ALA 51 N -3.55 -2.34 -2.88 0.00 0.00 -1.26 -4.99 120.51 105.49 1xhh n ALA 51 Ca 0.09 -0.72 -0.34 0.00 0.00 0.00 0.00 53.44 52.47 1xhh n ALA 51 Cb 0.53 -1.88 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.44 3.77 0.35 0.00 -1.09 -1.23 -4.89 121.20 115.67 1xhh s ILE 52 Ca 0.60 -0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 58.32 1xhh s ILE 52 Cb -0.21 -2.62 -0.11 0.00 -1.58 0.00 0.00 42.46 37.94 1xhh s ILE 52 CO 0.65 0.53 1.53 -2.65 -1.23 0.00 0.00 174.94 173.76 1xhh n PRO 53 N 3.18 2.70 -4.15 2.79 -0.01 -1.26 -2.63 135.00 135.63 1xhh n PRO 53 Ca -0.18 0.95 -0.13 0.00 -0.01 0.00 0.00 63.50 64.13 1xhh n PRO 53 Cb 0.53 -2.71 -0.07 0.00 -0.01 0.00 0.00 33.50 31.24 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 -0.73 0.00 0.00 3.45 -4.23 -0.10 -4.85 115.64 109.17 1xhh s THR 54 Ca 0.57 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1xhh s THR 54 Cb -0.48 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1xhh s THR 54 CO 0.59 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 1xhh n GLY 55 N -0.42 2.78 3.69 3.99 0.00 -1.26 -2.98 105.19 110.99 1xhh n GLY 55 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1xhh n GLY 55 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xhh s TYR 56 N -0.59 3.39 0.08 1.61 -0.85 -1.26 -4.76 117.35 114.97 1xhh s TYR 56 Ca 0.00 1.41 -0.33 0.00 -0.52 0.00 0.00 57.07 57.63 1xhh s TYR 56 Cb 0.00 -3.31 -0.12 0.00 0.38 0.00 0.00 41.96 38.91 1xhh s TYR 56 CO 0.00 -0.79 1.73 -0.25 -1.52 0.00 0.00 175.55 174.72 1xhh n ASP 57 N 4.80 3.43 -4.42 -0.18 8.00 -1.26 -4.89 116.55 122.03 1xhh n ASP 57 Ca 0.09 1.03 -0.45 0.00 0.71 0.00 0.00 54.79 56.18 1xhh n ASP 57 Cb 0.48 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 1xhh n ASP 57 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xhh s THR 58 N 2.26 5.19 -0.18 -3.53 -4.23 -1.26 -4.77 115.64 109.11 1xhh s THR 58 Ca 0.84 -2.41 -0.17 0.00 -1.18 0.00 0.00 61.69 58.76 1xhh s THR 58 Cb -0.64 -4.75 -0.06 0.00 1.34 0.00 0.00 72.50 68.39 1xhh s THR 58 CO 0.42 -1.43 -0.33 0.59 -0.54 0.00 0.00 174.62 173.33 1xhh n ASN 59 N 5.19 1.93 -2.87 3.99 5.03 -1.26 -4.90 115.26 122.37 1xhh n ASN 59 Ca 0.27 0.36 -0.12 0.00 0.87 0.00 0.00 54.58 55.97 1xhh n ASN 59 Cb 0.45 -0.76 0.05 0.00 -1.02 0.00 0.00 39.78 38.50 1xhh n ASN 59 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1xhh n LYS 60 N -4.47 1.03 -4.31 3.52 5.02 -1.26 -5.13 118.16 112.55 1xhh n LYS 60 Ca -0.14 -2.46 -0.18 0.00 -2.02 0.00 0.00 58.31 53.50 1xhh n LYS 60 Cb 0.50 -1.16 -0.09 0.00 -0.02 0.00 0.00 35.03 34.26 1xhh n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xhh s GLN 62 N -3.79 1.63 -0.03 0.00 1.11 -0.02 -4.89 119.66 113.66 1xhh s GLN 62 Ca 0.37 -1.93 0.06 0.00 0.01 0.00 0.00 55.36 53.87 1xhh s GLN 62 Cb 0.05 -0.29 -0.02 0.00 -1.01 0.00 0.00 33.01 31.73 1xhh s GLN 62 CO 0.18 -0.40 -0.22 0.15 0.01 0.00 0.00 175.29 175.01 1xhh s LYS 63 N -3.84 2.25 -0.02 2.91 1.02 -1.26 -2.11 119.74 118.69 1xhh s LYS 63 Ca 0.34 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 1xhh s LYS 63 Cb 0.05 -2.16 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1xhh s LYS 63 CO 0.16 0.58 0.03 -1.50 -0.92 0.00 0.00 175.35 173.71 1xhh s ILE 64 N -0.66 -0.02 -0.30 2.17 1.10 0.99 -4.93 121.20 119.55 1xhh s ILE 64 Ca 0.11 0.07 -0.15 0.00 -0.51 0.00 0.00 60.65 60.16 1xhh s ILE 64 Cb -0.10 -0.07 -0.03 0.00 0.15 0.00 0.00 42.46 42.42 1xhh s ILE 64 CO -0.00 0.03 0.38 -0.22 -2.11 0.00 0.00 174.94 173.01 1xhh s LEU 65 N 0.36 4.20 -0.48 8.50 0.20 -1.26 -0.18 118.68 130.02 1xhh s LEU 65 Ca -0.03 0.07 -0.29 0.00 0.69 0.00 0.00 54.13 54.57 1xhh s LEU 65 Cb -0.04 -2.41 0.03 0.00 -0.43 0.00 0.00 46.19 43.34 1xhh s LEU 65 CO -0.01 -0.27 1.17 0.21 -0.29 0.00 0.00 176.35 177.16 1xhh s ASN 66 N 1.69 6.59 0.31 3.68 3.04 0.22 -4.86 114.94 125.61 1xhh s ASN 66 Ca 0.14 0.47 0.26 0.00 0.04 0.00 0.00 52.86 53.77 1xhh s ASN 66 Cb -0.16 -2.55 0.85 0.00 -1.54 0.00 0.00 41.25 37.85 1xhh s ASN 66 CO 0.11 -1.29 1.76 0.07 -3.04 0.00 0.00 177.10 174.71 1xhh h LYS 67 N 9.39 0.00 -0.58 0.43 -0.00 -1.95 0.19 116.57 124.05 1xhh h LYS 67 Ca -0.23 0.00 0.08 0.00 -0.00 0.00 0.00 60.65 60.49 1xhh h LYS 67 Cb 1.06 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.23 1xhh h LYS 67 CO 1.13 0.00 0.23 -0.22 -0.00 0.00 0.00 179.45 180.59 1xhh h LYS 68 N 0.00 0.42 0.00 0.07 3.64 -1.96 -3.16 116.57 115.58 1xhh h LYS 68 Ca 0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xhh h LYS 68 Cb 0.65 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1xhh h LYS 68 CO 0.00 0.28 -0.28 0.25 -2.27 0.00 0.00 179.45 177.43 1xhh n THR 69 N -4.96 0.93 -3.23 1.00 -2.24 -1.21 -5.03 114.28 99.52 1xhh n THR 69 Ca 0.07 -1.15 -0.16 0.00 -2.27 0.00 0.00 64.05 60.54 1xhh n THR 69 Cb 0.23 0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.07 0.00 -4.23 -0.20 -4.95 115.64 103.67 1xhh s THR 71 Ca 0.17 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1xhh s THR 71 Cb -0.03 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 1xhh s THR 71 CO 0.81 0.00 -0.10 -0.47 -0.54 0.00 0.00 174.62 174.32 1xhh s TYR 72 N -3.92 2.84 0.01 3.99 6.14 -1.26 0.71 117.35 125.86 1xhh s TYR 72 Ca 0.30 -0.11 -0.02 0.00 0.64 0.00 0.00 57.07 57.89 1xhh s TYR 72 Cb 0.02 -1.70 -0.01 0.00 0.42 0.00 0.00 41.96 40.69 1xhh s TYR 72 CO 0.12 0.22 0.01 0.95 0.64 0.00 0.00 175.55 177.50 1xhh s THR 73 N -0.65 0.10 -0.23 4.34 -4.23 0.74 -4.90 115.64 110.81 1xhh s THR 73 Ca 0.10 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1xhh s THR 73 Cb -0.11 -0.29 -0.01 0.00 1.34 0.00 0.00 72.50 73.43 1xhh s THR 73 CO 0.01 -0.44 -0.02 -0.69 -0.54 0.00 0.00 174.62 172.94 1xhh s VAL 74 N -1.37 3.53 0.49 2.29 1.01 -1.26 -0.01 120.40 125.09 1xhh s VAL 74 Ca -0.15 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1xhh s VAL 74 Cb -0.09 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1xhh s VAL 74 CO -0.00 0.37 0.37 0.68 0.00 0.00 0.00 175.10 176.52 1xhh s VAL 75 N 1.49 2.01 0.02 2.92 -7.23 -0.90 0.07 120.40 118.79 1xhh s VAL 75 Ca 0.05 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1xhh s VAL 75 Cb -0.15 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1xhh s VAL 75 CO -0.02 0.00 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.12 1xhh s GLU 76 N -4.20 2.60 0.55 4.82 2.02 -1.17 -0.84 118.70 122.49 1xhh s GLU 76 Ca 0.39 -0.72 0.23 0.00 0.02 0.00 0.00 54.97 54.89 1xhh s GLU 76 Cb -0.02 -2.55 1.54 0.00 0.10 0.00 0.00 34.13 33.20 1xhh s GLU 76 CO 0.23 0.59 2.20 0.87 0.02 0.00 0.00 175.26 179.17 1xhh h LYS 77 N 4.23 0.00 0.00 1.61 1.79 -1.91 -2.49 116.57 119.80 1xhh h LYS 77 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 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 0.56 0.01 -0.00 1.63 -1.08 0.00 0.00 179.45 180.57 1xhh n LYS 78 N -4.17 2.95 -3.02 3.15 4.76 -1.26 -4.81 118.16 115.77 1xhh n LYS 78 Ca -0.03 -1.51 -0.17 0.00 -2.87 0.00 0.00 58.31 53.73 1xhh n LYS 78 Cb 0.09 -1.00 -0.02 0.00 -1.84 0.00 0.00 35.03 32.26 1xhh n LYS 78 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xhh n ASP 79 N -0.51 -0.98 0.01 4.39 9.92 -0.94 -4.96 116.55 123.49 1xhh n ASP 79 Ca 0.00 -2.97 0.06 0.00 -0.53 0.00 0.00 54.79 51.35 1xhh n ASP 79 Cb 0.26 0.34 0.26 0.00 -0.64 0.00 0.00 41.12 41.34 1xhh n ASP 79 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1xhh n PRO 80 N 1.39 0.01 0.01 -0.24 -0.05 -1.22 -2.01 135.00 132.89 1xhh n PRO 80 Ca 0.16 0.32 0.11 0.00 -0.05 0.00 0.00 63.50 64.05 1xhh n PRO 80 Cb 0.58 -1.53 0.12 0.00 -0.05 0.00 0.00 33.50 32.62 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 -0.33 -1.19 3.17 0.55 0.00 -1.26 -4.81 105.19 101.31 1xhh n GLY 81 Ca 0.03 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.05 3.03 0.53 1.61 1.02 -0.85 -5.11 119.74 116.93 1xhh s LYS 82 Ca 0.09 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 55.03 1xhh s LYS 82 Cb 0.16 -2.47 -0.06 0.00 -0.52 0.00 0.00 37.83 34.95 1xhh s LYS 82 CO 0.76 -0.04 1.15 0.95 -0.92 0.00 0.00 175.35 177.25 1xhh s THR 83 N 0.87 3.07 0.72 2.17 -4.23 -1.26 -3.97 115.64 113.01 1xhh s THR 83 Ca -0.05 0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 61.03 1xhh s THR 83 Cb -0.15 -3.30 0.16 0.00 1.34 0.00 0.00 72.50 70.55 1xhh s THR 83 CO -0.03 -0.12 0.98 0.00 -0.54 0.00 0.00 174.62 174.91 1xhh s ASP 85 N -4.58 5.67 0.29 0.00 2.15 -1.26 -4.89 116.67 114.04 1xhh s ASP 85 Ca 0.56 2.51 0.03 0.00 0.43 0.00 0.00 52.55 56.07 1xhh s ASP 85 Cb -0.02 -2.62 -0.06 0.00 -0.30 0.00 0.00 42.92 39.93 1xhh s ASP 85 CO 0.39 -1.28 0.06 -0.69 -0.17 0.00 0.00 175.17 173.48 1xhh s VAL 86 N -1.45 0.96 0.00 1.11 1.01 -1.26 -4.78 120.40 115.99 1xhh s VAL 86 Ca 0.69 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1xhh s VAL 86 Cb -0.34 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1xhh s VAL 86 CO 0.40 -0.06 0.00 0.41 0.00 0.00 0.00 175.10 175.85 1xhh n THR 87 N -0.57 0.00 0.00 3.92 -1.04 -1.26 -4.75 114.28 110.58 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 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 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 0.09 0.08 3.63 3.41 0.00 -1.16 -4.99 105.19 106.24 1xhh n GLY 88 Ca 0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 2.52 -0.23 1.61 0.51 -1.26 -0.93 118.94 119.16 1xhh s TRP 89 Ca 0.00 -0.60 -0.04 0.00 -2.12 0.00 0.00 56.10 53.34 1xhh s TRP 89 Cb 0.00 -1.71 0.09 0.00 -0.81 0.00 0.00 33.47 31.04 1xhh s TRP 89 CO 0.00 0.43 0.16 0.08 -0.51 0.00 0.00 176.95 177.11 1xhh s VAL 90 N -2.65 -0.17 -2.09 4.03 1.01 -1.08 -4.84 120.40 114.61 1xhh s VAL 90 Ca 0.36 -0.39 0.31 0.00 0.00 0.00 0.00 61.98 62.26 1xhh s VAL 90 Cb 0.07 -0.78 0.85 0.00 0.00 0.00 0.00 36.38 36.51 1xhh s VAL 90 CO 0.19 -0.43 2.15 -0.11 0.00 0.00 0.00 175.10 176.89