#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 -2.97 -0.00 -0.17 0.00 -0.85 -1.01 -5.02 117.35 107.32 1xhh s TYR 3 Ca 0.14 -0.36 -0.03 0.00 -0.52 0.00 0.00 57.07 56.30 1xhh s TYR 3 Cb -0.01 0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.39 1xhh s TYR 3 CO 0.02 -0.60 -0.05 -0.06 -1.52 0.00 0.00 175.55 173.34 1xhh s PHE 4 N -3.75 2.96 -0.26 -3.49 0.40 -1.26 -2.50 117.98 110.08 1xhh s PHE 4 Ca 0.03 -0.54 -0.05 0.00 -0.60 0.00 0.00 56.93 55.77 1xhh s PHE 4 Cb 0.03 -1.99 -0.00 0.00 0.51 0.00 0.00 43.02 41.57 1xhh s PHE 4 CO -0.11 -0.23 0.03 0.42 0.70 0.00 0.00 175.22 176.03 1xhh s ILE 5 N 0.72 3.73 0.94 0.64 -1.09 0.11 -4.98 121.20 121.27 1xhh s ILE 5 Ca -0.02 -0.59 -0.10 0.00 -2.23 0.00 0.00 60.65 57.70 1xhh s ILE 5 Cb -0.15 -2.83 0.16 0.00 -1.58 0.00 0.00 42.46 38.07 1xhh s ILE 5 CO 0.02 0.23 1.14 -2.16 -1.23 0.00 0.00 174.94 172.94 1xhh s PRO 6 N 1.49 0.80 0.53 2.79 0.04 -1.26 0.09 135.00 139.48 1xhh s PRO 6 Ca 0.04 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.38 1xhh s PRO 6 Cb -0.16 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 1xhh s PRO 6 CO 0.00 -2.76 0.48 -1.71 0.04 0.00 0.00 177.00 173.05 1xhh n ASN 7 N -4.32 -1.21 0.00 6.66 2.85 -1.13 -4.56 115.26 113.55 1xhh n ASN 7 Ca 0.11 0.77 0.00 0.00 -0.11 0.00 0.00 54.58 55.35 1xhh n ASN 7 Cb 0.52 -1.13 0.00 0.00 1.24 0.00 0.00 39.78 40.41 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 0.26 0.00 -1.95 1.20 6.02 -1.26 -5.04 117.38 116.61 1xhh n GLN 8 Ca 0.11 -0.20 -0.30 0.00 -0.01 0.00 0.00 57.00 56.61 1xhh n GLN 8 Cb 0.45 -0.46 0.21 0.00 1.02 0.00 0.00 30.24 31.46 1xhh n GLN 8 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1xhh s SER 9 N 0.00 2.79 0.20 1.08 1.04 -1.26 -4.87 113.70 112.67 1xhh s SER 9 Ca 0.00 0.13 0.15 0.00 0.48 0.00 0.00 55.95 56.72 1xhh s SER 9 Cb 0.00 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1xhh s SER 9 CO 0.00 -2.93 1.23 0.17 0.98 0.00 0.00 173.24 172.69 1xhh h LEU 10 N -1.78 0.00 -7.91 2.42 -0.00 -1.99 -3.47 115.31 102.59 1xhh h LEU 10 Ca -0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.35 1xhh h LEU 10 Cb 1.21 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.74 1xhh h LEU 10 CO 0.31 0.55 -0.31 -1.59 -0.00 0.00 0.00 178.44 177.41 1xhh s LYS 11 N -2.94 1.04 0.89 0.17 -2.85 -1.26 -5.16 119.74 109.63 1xhh s LYS 11 Ca 0.02 -1.04 -0.14 0.00 -1.00 0.00 0.00 55.97 53.80 1xhh s LYS 11 Cb 0.08 0.38 0.22 0.00 -2.06 0.00 0.00 37.83 36.45 1xhh s LYS 11 CO 0.77 -0.37 0.50 -0.35 0.10 0.00 0.00 175.35 176.00 1xhh n PRO 12 N -0.16 -3.29 -3.82 1.78 -0.04 -1.26 -4.04 135.00 124.17 1xhh n PRO 12 Ca -0.11 -0.84 -0.27 0.00 -0.04 0.00 0.00 63.50 62.23 1xhh n PRO 12 Cb 0.63 -1.16 0.04 0.00 -0.04 0.00 0.00 33.50 32.96 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 -4.16 -4.22 -3.78 3.54 4.13 -1.26 -4.95 115.26 104.57 1xhh n ASN 13 Ca 0.08 -0.75 -0.13 0.00 1.68 0.00 0.00 54.58 55.45 1xhh n ASN 13 Cb 0.35 -4.09 -0.07 0.00 -1.54 0.00 0.00 39.78 34.43 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1xhh s GLU 14 N -6.43 1.55 -0.43 3.52 2.02 -1.26 -2.18 118.70 115.49 1xhh s GLU 14 Ca 0.51 -1.63 0.07 0.00 0.02 0.00 0.00 54.97 53.94 1xhh s GLU 14 Cb -0.25 0.37 0.25 0.00 0.10 0.00 0.00 34.13 34.60 1xhh s GLU 14 CO 0.81 -0.59 0.70 0.00 0.02 0.00 0.00 175.26 176.20 1xhh s GLN 16 N -0.39 3.00 -0.73 0.00 0.74 -1.26 -3.76 119.66 117.25 1xhh s GLN 16 Ca 0.34 -1.62 -0.27 0.00 0.05 0.00 0.00 55.36 53.85 1xhh s GLN 16 Cb 0.20 -4.28 0.03 0.00 1.10 0.00 0.00 33.01 30.07 1xhh s GLN 16 CO -0.17 -1.31 1.31 -0.51 -0.55 0.00 0.00 175.29 174.06 1xhh s ASP 17 N 3.48 6.11 1.18 6.67 1.01 -1.20 -4.28 116.67 129.64 1xhh s ASP 17 Ca 0.04 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 52.89 1xhh s ASP 17 Cb -0.29 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.08 1xhh s ASP 17 CO 0.04 -1.87 0.00 0.18 0.21 0.00 0.00 175.17 173.73 1xhh n LEU 18 N 9.57 0.00 -0.16 1.23 4.32 -1.26 -1.90 117.00 128.80 1xhh n LEU 18 Ca 0.04 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.06 1xhh n LEU 18 Cb 0.49 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1xhh n LEU 18 CO 0.71 0.00 0.19 0.29 -1.22 0.00 0.00 177.39 177.36 1xhh n LYS 19 N 14.00 2.30 0.09 3.23 4.01 -1.26 -4.68 118.16 135.85 1xhh n LYS 19 Ca 0.00 -0.50 -0.09 0.00 -0.51 0.00 0.00 58.31 57.21 1xhh n LYS 19 Cb 0.00 -0.99 -0.06 0.00 -0.51 0.00 0.00 35.03 33.47 1xhh n LYS 19 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1xhh h GLY 20 N 1.51 -0.32 -3.06 0.72 0.00 -1.76 -3.44 103.07 96.72 1xhh h GLY 20 Ca 0.00 0.12 -0.46 0.00 0.00 0.00 0.00 47.33 46.99 1xhh h GLY 20 CO 0.00 -0.12 -0.37 0.14 0.00 0.00 0.00 176.54 176.19 1xhh s VAL 21 N -3.24 5.15 -0.40 4.60 1.01 -1.10 -4.97 120.40 121.46 1xhh s VAL 21 Ca -0.10 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1xhh s VAL 21 Cb 0.00 -3.83 0.21 0.00 0.00 0.00 0.00 36.38 32.76 1xhh s VAL 21 CO 0.36 -0.37 0.98 -0.55 0.00 0.00 0.00 175.10 175.53 1xhh s SER 22 N -4.00 -0.66 0.05 3.32 0.15 -1.26 -3.23 113.70 108.06 1xhh s SER 22 Ca 0.36 -0.78 -0.14 0.00 0.70 0.00 0.00 55.95 56.09 1xhh s SER 22 Cb -0.09 0.87 0.02 0.00 -1.71 0.00 0.00 66.02 65.11 1xhh s SER 22 CO 0.31 -0.02 0.32 -1.00 1.20 0.00 0.00 173.24 174.04 1xhh s HIS 23 N 0.97 -0.12 1.17 3.44 3.76 -1.25 -4.99 115.29 118.27 1xhh s HIS 23 Ca 0.25 -0.04 -0.18 0.00 -0.15 0.00 0.00 55.06 54.95 1xhh s HIS 23 Cb 0.08 0.12 0.20 0.00 1.11 0.00 0.00 32.58 34.09 1xhh s HIS 23 CO -0.09 -0.53 0.38 -2.30 -0.85 0.00 0.00 174.74 171.35 1xhh n PRO 24 N 0.47 -2.51 -1.53 8.40 -0.01 -1.26 -1.55 135.00 137.01 1xhh n PRO 24 Ca -0.18 -0.73 -0.19 0.00 -0.01 0.00 0.00 63.50 62.39 1xhh n PRO 24 Cb 0.60 -1.75 -0.16 0.00 -0.01 0.00 0.00 33.50 32.18 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 0.02 0.00 2.45 0.00 -0.93 -4.10 117.00 111.65 1xhh n LEU 25 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 56.01 55.14 1xhh n LEU 25 Cb 0.54 -1.03 0.00 0.00 0.00 0.00 0.00 43.42 42.92 1xhh n LEU 25 CO 0.44 -1.91 0.09 0.59 0.00 0.00 0.00 177.39 176.60 1xhh n ASN 26 N 11.35 0.00 -0.85 1.96 3.02 -1.26 -4.99 115.26 124.48 1xhh n ASN 26 Ca 0.59 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.31 1xhh n ASN 26 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1xhh n ASN 26 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xhh n SER 27 N -0.22 0.00 -4.59 6.41 7.64 -1.26 -5.14 113.62 116.46 1xhh n SER 27 Ca 0.00 -0.85 -0.34 0.00 1.01 0.00 0.00 58.87 58.69 1xhh n SER 27 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1xhh n SER 27 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1xhh s VAL 28 N -2.07 3.81 -0.12 0.44 -7.23 -1.26 -4.10 120.40 109.87 1xhh s VAL 28 Ca 0.00 -0.43 -0.07 0.00 -1.81 0.00 0.00 61.98 59.67 1xhh s VAL 28 Cb 0.00 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.41 1xhh s VAL 28 CO 0.00 0.59 0.29 -1.66 -0.31 0.00 0.00 175.10 174.01 1xhh s TRP 29 N -0.71 -0.39 -0.22 2.82 -2.14 -1.07 -5.05 118.94 112.18 1xhh s TRP 29 Ca 0.11 0.90 0.01 0.00 2.66 0.00 0.00 56.10 59.77 1xhh s TRP 29 Cb -0.11 0.10 0.06 0.00 -3.10 0.00 0.00 33.47 30.42 1xhh s TRP 29 CO 0.02 -0.25 -0.06 -1.59 -2.66 0.00 0.00 176.95 172.41 1xhh s LYS 30 N 1.17 1.67 -0.54 3.25 0.00 -1.26 -2.21 119.74 121.82 1xhh s LYS 30 Ca -0.08 -0.92 -0.09 0.00 0.00 0.00 0.00 55.97 54.88 1xhh s LYS 30 Cb -0.09 -2.51 0.14 0.00 0.00 0.00 0.00 37.83 35.37 1xhh s LYS 30 CO -0.09 -0.56 0.42 0.95 0.00 0.00 0.00 175.35 176.07 1xhh s THR 31 N 1.42 4.29 0.00 3.79 -4.23 -0.09 -4.93 115.64 115.89 1xhh s THR 31 Ca -0.05 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 1xhh s THR 31 Cb -0.18 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1xhh s THR 31 CO -0.07 -0.83 0.82 0.29 -0.54 0.00 0.00 174.62 174.30 1xhh n LYS 32 N 4.54 0.49 0.00 3.99 5.02 -1.26 -2.19 118.16 128.75 1xhh n LYS 32 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1xhh n LYS 32 Cb 0.41 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1xhh n LYS 32 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xhh n ASP 33 N 1.42 0.02 0.00 4.39 5.68 -1.26 -4.99 116.55 121.82 1xhh n ASP 33 Ca 0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.06 1xhh n ASP 33 Cb 0.25 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 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 -1.97 1.46 -0.24 0.00 2.12 -1.07 -3.06 118.70 115.94 1xhh s GLU 35 Ca 0.00 -0.65 -0.03 0.00 0.36 0.00 0.00 54.97 54.65 1xhh s GLU 35 Cb 0.00 0.59 0.11 0.00 0.26 0.00 0.00 34.13 35.10 1xhh s GLU 35 CO 0.00 -0.65 0.27 -1.21 -0.54 0.00 0.00 175.26 173.13 1xhh s GLU 36 N -3.80 0.26 0.02 4.30 2.02 -0.61 -0.91 118.70 119.98 1xhh s GLU 36 Ca 0.05 0.12 0.09 0.00 0.02 0.00 0.00 54.97 55.25 1xhh s GLU 36 Cb -0.03 -0.92 -0.03 0.00 0.10 0.00 0.00 34.13 33.26 1xhh s GLU 36 CO -0.06 -0.78 -0.26 0.00 0.02 0.00 0.00 175.26 174.18 1xhh s THR 38 N -0.72 1.51 -0.31 0.00 -4.23 0.24 -2.58 115.64 109.54 1xhh s THR 38 Ca 0.11 -1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 58.66 1xhh s THR 38 Cb -0.10 -1.74 0.03 0.00 1.34 0.00 0.00 72.50 72.03 1xhh s THR 38 CO 0.01 -0.46 0.08 0.00 -0.54 0.00 0.00 174.62 173.70 1xhh s GLY 40 N 1.43 2.43 0.00 0.00 0.00 0.62 -4.93 107.32 106.87 1xhh s GLY 40 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.52 1xhh s GLY 40 CO 0.02 0.05 1.07 -1.06 0.00 0.00 0.00 173.10 173.18 1xhh n GLN 41 N 1.03 0.00 0.00 2.90 1.13 -1.26 -2.28 117.38 118.90 1xhh n GLN 41 Ca -0.08 0.46 0.00 0.00 -1.94 0.00 0.00 57.00 55.44 1xhh n GLN 41 Cb 0.52 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.37 1xhh n GLN 41 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xhh n ASP 42 N -1.50 1.27 -2.82 1.08 5.68 -1.26 -4.76 116.55 114.24 1xhh n ASP 42 Ca 0.01 -0.13 -0.09 0.00 -0.50 0.00 0.00 54.79 54.08 1xhh n ASP 42 Cb 0.03 0.51 0.03 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.76 -0.61 -0.01 2.12 0.00 -0.97 -2.82 121.76 118.72 1xhh s ALA 43 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1xhh s ALA 43 Cb 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 1xhh s ALA 43 CO 0.00 -0.97 -0.11 0.42 0.00 0.00 0.00 175.76 175.10 1xhh s ILE 44 N -2.13 0.88 0.02 0.00 1.01 0.11 0.23 121.20 121.32 1xhh s ILE 44 Ca 0.17 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1xhh s ILE 44 Cb -0.05 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1xhh s ILE 44 CO 0.12 0.25 -0.04 -0.44 0.00 0.00 0.00 174.94 174.84 1xhh s SER 45 N -0.22 4.82 -0.15 3.58 0.01 -0.72 0.05 113.70 121.06 1xhh s SER 45 Ca 0.04 -0.12 -0.09 0.00 1.31 0.00 0.00 55.95 57.09 1xhh s SER 45 Cb -0.05 -1.16 0.05 0.00 0.21 0.00 0.00 66.02 65.07 1xhh s SER 45 CO -0.00 0.27 0.37 0.00 0.41 0.00 0.00 173.24 174.28 1xhh s ASN 48 N 1.65 4.83 0.00 0.00 2.20 -1.26 -1.57 114.94 120.79 1xhh s ASN 48 Ca 0.03 -0.06 0.00 0.00 -0.94 0.00 0.00 52.86 51.89 1xhh s ASN 48 Cb -0.14 -1.20 0.00 0.00 -2.00 0.00 0.00 41.25 37.91 1xhh s ASN 48 CO -0.08 0.30 0.00 0.35 -2.94 0.00 0.00 177.10 174.73 1xhh n THR 49 N 1.66 0.00 -1.30 0.54 -2.24 -1.17 -4.83 114.28 106.94 1xhh n THR 49 Ca -0.16 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 1xhh n THR 49 Cb 0.53 0.77 0.15 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 -0.63 1.40 1.08 6.98 0.00 -1.25 -4.98 121.76 124.36 1xhh s ALA 50 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 1xhh s ALA 50 Cb 0.00 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 20.06 1xhh s ALA 50 CO 0.00 -2.50 -0.28 0.00 0.00 0.00 0.00 175.76 172.98 1xhh n ALA 51 N -3.94 -4.08 -3.45 0.00 0.00 -1.26 -5.00 120.51 102.77 1xhh n ALA 51 Ca 0.06 -1.29 -0.19 0.00 0.00 0.00 0.00 53.44 52.02 1xhh n ALA 51 Cb 0.57 -1.28 -0.16 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.16 0.48 0.18 0.00 1.09 0.31 -4.92 121.20 116.18 1xhh s ILE 52 Ca 0.49 -0.13 -0.33 0.00 -1.10 0.00 0.00 60.65 59.59 1xhh s ILE 52 Cb -0.06 -0.50 -0.13 0.00 -1.06 0.00 0.00 42.46 40.72 1xhh s ILE 52 CO 0.62 0.20 1.69 -2.65 -0.10 0.00 0.00 174.94 174.69 1xhh n PRO 53 N 3.80 2.57 -4.08 2.79 -0.01 -1.26 -2.41 135.00 136.40 1xhh n PRO 53 Ca -0.23 0.93 -0.08 0.00 -0.01 0.00 0.00 63.50 64.10 1xhh n PRO 53 Cb 0.52 -2.75 -0.09 0.00 -0.01 0.00 0.00 33.50 31.16 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 1.25 0.15 0.00 3.45 -4.23 -1.21 -4.84 115.64 110.21 1xhh s THR 54 Ca 0.77 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1xhh s THR 54 Cb -0.56 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1xhh s THR 54 CO 0.35 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1xhh n GLY 55 N -0.02 2.98 3.77 3.99 0.00 -1.26 -3.69 105.19 110.97 1xhh n GLY 55 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.10 3.00 0.02 1.61 1.13 -1.26 -4.83 117.35 114.92 1xhh s TYR 56 Ca 0.00 1.54 -0.30 0.00 -1.41 0.00 0.00 57.07 56.90 1xhh s TYR 56 Cb 0.00 -3.39 -0.09 0.00 -1.10 0.00 0.00 41.96 37.37 1xhh s TYR 56 CO 0.00 -1.39 1.98 -3.47 -2.51 0.00 0.00 175.55 170.16 1xhh n ASP 57 N -0.11 4.10 -4.11 -0.18 2.03 -1.26 -4.87 116.55 112.15 1xhh n ASP 57 Ca 0.05 0.89 -0.43 0.00 0.52 0.00 0.00 54.79 55.82 1xhh n ASP 57 Cb 0.47 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 1xhh n ASP 57 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xhh n THR 58 N 5.59 4.15 -0.08 5.18 -2.24 -1.26 -4.69 114.28 120.93 1xhh n THR 58 Ca 0.21 -4.27 -0.15 0.00 -2.27 0.00 0.00 64.05 57.57 1xhh n THR 58 Cb 0.40 -2.43 -0.09 0.00 -2.10 0.00 0.00 70.33 66.11 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 6.42 0.00 0.00 3.42 -1.24 -2.00 -3.46 115.58 118.72 1xhh h ASN 59 Ca 0.40 -0.54 -0.08 0.00 0.71 0.00 0.00 56.30 56.79 1xhh h ASN 59 Cb 0.73 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.71 1xhh h ASN 59 CO 1.53 1.13 -0.09 1.17 -1.29 0.00 0.00 177.43 179.88 1xhh n LYS 60 N -4.55 0.56 -2.97 6.67 4.81 -1.26 -5.15 118.16 116.26 1xhh n LYS 60 Ca -0.18 -0.61 -0.20 0.00 -0.87 0.00 0.00 58.31 56.45 1xhh n LYS 60 Cb 0.49 0.14 0.07 0.00 0.02 0.00 0.00 35.03 35.75 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 -4.75 0.52 -0.02 0.00 0.74 0.13 -4.80 119.66 111.49 1xhh s GLN 62 Ca 0.63 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 55.32 1xhh s GLN 62 Cb -0.05 -0.26 -0.03 0.00 1.10 0.00 0.00 33.01 33.77 1xhh s GLN 62 CO 0.40 0.04 -0.16 0.15 -0.55 0.00 0.00 175.29 175.17 1xhh s LYS 63 N -1.66 2.35 -0.05 1.67 1.02 -1.26 -1.10 119.74 120.71 1xhh s LYS 63 Ca -0.10 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.07 1xhh s LYS 63 Cb -0.09 -2.31 0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1xhh s LYS 63 CO 0.00 0.59 0.11 -1.50 -0.92 0.00 0.00 175.35 173.63 1xhh s ILE 64 N -0.80 -0.09 -0.54 2.17 -1.16 -0.39 -4.96 121.20 115.43 1xhh s ILE 64 Ca 0.13 0.23 -0.17 0.00 -0.51 0.00 0.00 60.65 60.33 1xhh s ILE 64 Cb -0.11 -0.20 0.11 0.00 0.61 0.00 0.00 42.46 42.87 1xhh s ILE 64 CO 0.02 0.10 0.56 -0.22 -2.81 0.00 0.00 174.94 172.59 1xhh s LEU 65 N 1.37 5.75 0.16 8.50 2.96 -1.26 -1.47 118.68 134.69 1xhh s LEU 65 Ca -0.06 -1.54 -0.30 0.00 -0.22 0.00 0.00 54.13 52.01 1xhh s LEU 65 Cb -0.12 -2.26 -0.07 0.00 0.50 0.00 0.00 46.19 44.24 1xhh s LEU 65 CO -0.05 -0.92 0.95 0.20 -1.32 0.00 0.00 176.35 175.22 1xhh s ASN 66 N 3.40 7.55 0.00 3.68 0.01 -0.54 -4.92 114.94 124.12 1xhh s ASN 66 Ca 0.07 1.85 0.25 0.00 -0.71 0.00 0.00 52.86 54.32 1xhh s ASN 66 Cb -0.26 -2.60 0.41 0.00 0.41 0.00 0.00 41.25 39.21 1xhh s ASN 66 CO 0.05 0.01 1.35 2.29 -1.51 0.00 0.00 177.10 179.30 1xhh n LYS 67 N 2.32 0.95 -0.10 -0.60 0.00 -1.26 -2.08 118.16 117.39 1xhh n LYS 67 Ca 0.01 -0.68 -0.06 0.00 -0.00 0.00 0.00 58.31 57.58 1xhh n LYS 67 Cb 0.48 -1.49 0.01 0.00 -0.00 0.00 0.00 35.03 34.04 1xhh n LYS 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1xhh h LYS 68 N 1.65 0.12 0.00 -1.58 6.56 -1.95 -3.21 116.57 118.16 1xhh h LYS 68 Ca 0.00 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1xhh h LYS 68 Cb 0.61 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1xhh h LYS 68 CO 0.00 0.08 -0.26 0.25 -2.06 0.00 0.00 179.45 177.46 1xhh n THR 69 N -5.15 0.92 -3.19 -0.16 -2.24 -1.26 -5.04 114.28 98.16 1xhh n THR 69 Ca 0.01 -1.11 -0.18 0.00 -2.27 0.00 0.00 64.05 60.50 1xhh n THR 69 Cb 0.17 0.14 0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.36 0.10 -0.30 0.00 -1.32 -0.89 -5.01 115.64 105.85 1xhh s THR 71 Ca 0.23 -0.79 -0.06 0.00 -1.21 0.00 0.00 61.69 59.86 1xhh s THR 71 Cb -0.04 -1.01 0.02 0.00 -1.51 0.00 0.00 72.50 69.95 1xhh s THR 71 CO 0.81 -0.43 0.07 -0.47 -2.21 0.00 0.00 174.62 172.39 1xhh s TYR 72 N -2.86 3.17 -0.04 9.09 6.14 -1.26 -1.47 117.35 130.12 1xhh s TYR 72 Ca -0.03 -1.14 0.01 0.00 0.64 0.00 0.00 57.07 56.55 1xhh s TYR 72 Cb 0.00 -2.24 -0.03 0.00 0.42 0.00 0.00 41.96 40.11 1xhh s TYR 72 CO -0.05 -0.63 -0.05 0.95 0.64 0.00 0.00 175.55 176.41 1xhh s THR 73 N 1.46 3.81 -0.21 4.34 -4.23 -0.54 -4.94 115.64 115.32 1xhh s THR 73 Ca 0.01 -0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1xhh s THR 73 Cb -0.18 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1xhh s THR 73 CO 0.02 0.51 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.90 1xhh s VAL 74 N -0.91 3.71 0.40 2.29 1.01 -1.26 -1.26 120.40 124.37 1xhh s VAL 74 Ca 0.15 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1xhh s VAL 74 Cb -0.11 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1xhh s VAL 74 CO 0.05 0.41 0.28 0.68 0.00 0.00 0.00 175.10 176.52 1xhh s VAL 75 N 1.29 2.66 -0.14 2.92 -7.23 -0.26 -1.99 120.40 117.65 1xhh s VAL 75 Ca 0.04 -1.51 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1xhh s VAL 75 Cb -0.15 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.76 1xhh s VAL 75 CO 0.00 -0.04 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.01 1xhh s GLU 76 N -4.01 3.52 0.00 4.82 2.12 -1.24 0.22 118.70 124.13 1xhh s GLU 76 Ca 0.44 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1xhh s GLU 76 Cb -0.01 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.53 1xhh s GLU 76 CO 0.25 0.31 0.98 1.63 -0.54 0.00 0.00 175.26 177.90 1xhh n LYS 77 N 3.32 0.00 -0.04 4.30 4.76 -1.24 -0.54 118.16 128.72 1xhh n LYS 77 Ca -0.18 0.48 0.03 0.00 -2.87 0.00 0.00 58.31 55.78 1xhh n LYS 77 Cb 0.53 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.26 1xhh n LYS 77 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1xhh n LYS 78 N -1.48 1.00 -2.83 1.97 4.81 -1.26 -4.82 118.16 115.55 1xhh n LYS 78 Ca 0.00 -1.21 -0.09 0.00 -0.87 0.00 0.00 58.31 56.14 1xhh n LYS 78 Cb 0.00 -1.12 0.02 0.00 0.02 0.00 0.00 35.03 33.95 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xhh n ASP 79 N 0.22 -2.67 -0.75 3.14 -0.08 0.30 -4.99 116.55 111.73 1xhh n ASP 79 Ca 0.04 -3.09 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 1xhh n ASP 79 Cb 0.22 1.46 0.00 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 2.07 0.17 0.00 -0.67 -0.02 -1.20 -1.29 135.00 134.07 1xhh n PRO 80 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1xhh n PRO 80 Cb 0.59 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 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 0.67 -0.74 3.01 -1.23 0.00 -1.26 -5.00 105.19 100.63 1xhh n GLY 81 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.07 0.52 0.46 1.61 -0.14 -0.41 -5.12 119.74 116.59 1xhh s LYS 82 Ca 0.00 -0.40 -0.16 0.00 -1.36 0.00 0.00 55.97 54.05 1xhh s LYS 82 Cb 0.00 -0.44 -0.08 0.00 -1.68 0.00 0.00 37.83 35.63 1xhh s LYS 82 CO 0.00 0.11 0.91 0.95 -0.76 0.00 0.00 175.35 176.56 1xhh s THR 83 N -0.55 4.58 0.60 2.17 -4.23 -1.26 -3.62 115.64 113.33 1xhh s THR 83 Ca -0.01 1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 61.60 1xhh s THR 83 Cb -0.05 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 70.14 1xhh s THR 83 CO 0.00 -0.56 0.85 0.00 -0.54 0.00 0.00 174.62 174.37 1xhh n ASP 85 N -2.53 3.41 -4.39 0.00 8.00 -1.26 -4.93 116.55 114.84 1xhh n ASP 85 Ca 0.09 1.17 -0.19 0.00 0.71 0.00 0.00 54.79 56.56 1xhh n ASP 85 Cb 0.60 -1.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.00 1xhh n ASP 85 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xhh s VAL 86 N -1.16 0.92 0.00 2.53 1.01 -1.26 -4.68 120.40 117.77 1xhh s VAL 86 Ca 0.58 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1xhh s VAL 86 Cb -0.47 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1xhh s VAL 86 CO 0.60 0.00 0.00 0.35 0.00 0.00 0.00 175.10 176.05 1xhh n THR 87 N -0.60 0.00 -3.01 3.92 -2.24 -1.26 -4.77 114.28 106.32 1xhh n THR 87 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1xhh n THR 87 Cb 0.66 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1xhh n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xhh n GLY 88 N 1.55 -0.78 2.73 3.38 0.00 -1.24 -5.01 105.19 105.82 1xhh n GLY 88 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.01 0.21 1.61 0.51 -1.26 -3.31 118.94 113.68 1xhh s TRP 89 Ca 0.00 0.35 0.08 0.00 -2.12 0.00 0.00 56.10 54.40 1xhh s TRP 89 Cb 0.00 -0.38 -0.04 0.00 -0.81 0.00 0.00 33.47 32.24 1xhh s TRP 89 CO 0.00 -0.20 0.05 0.08 -0.51 0.00 0.00 176.95 176.37 1xhh s VAL 90 N 2.06 3.88 -2.00 4.03 1.01 -1.01 -4.86 120.40 123.51 1xhh s VAL 90 Ca 0.03 -1.50 0.13 0.00 0.00 0.00 0.00 61.98 60.64 1xhh s VAL 90 Cb -0.12 -3.02 0.38 0.00 0.00 0.00 0.00 36.38 33.63 1xhh s VAL 90 CO -0.04 -0.22 1.23 -0.11 0.00 0.00 0.00 175.10 175.96