#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 -3.11 -0.10 -0.18 0.00 5.04 -1.07 -5.02 117.35 112.90 1xhh s TYR 3 Ca 0.66 0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 55.38 1xhh s TYR 3 Cb -0.15 0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.18 1xhh s TYR 3 CO 0.56 -0.35 -0.03 -0.06 -1.34 0.00 0.00 175.55 174.32 1xhh s PHE 4 N -1.35 3.00 -0.29 4.97 0.40 -1.26 -2.33 117.98 121.12 1xhh s PHE 4 Ca -0.14 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 55.67 1xhh s PHE 4 Cb -0.06 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.49 1xhh s PHE 4 CO 0.03 -0.20 0.03 0.42 0.70 0.00 0.00 175.22 176.20 1xhh s ILE 5 N 0.75 3.36 0.16 0.64 1.09 0.74 -4.95 121.20 123.00 1xhh s ILE 5 Ca -0.01 -1.08 -0.31 0.00 -1.10 0.00 0.00 60.65 58.14 1xhh s ILE 5 Cb -0.14 -2.82 -0.11 0.00 -1.06 0.00 0.00 42.46 38.32 1xhh s ILE 5 CO 0.02 -0.01 1.74 -2.84 -0.10 0.00 0.00 174.94 173.75 1xhh s PRO 6 N 1.36 4.15 0.98 2.79 0.02 -1.26 -1.45 135.00 141.58 1xhh s PRO 6 Ca -0.01 2.55 -0.15 0.00 0.02 0.00 0.00 61.00 63.41 1xhh s PRO 6 Cb -0.18 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.00 1xhh s PRO 6 CO -0.00 -0.76 -0.05 -1.71 -0.33 0.00 0.00 177.00 174.14 1xhh n ASN 7 N 4.71 -3.43 0.00 2.53 2.85 -1.24 -4.87 115.26 115.82 1xhh n ASN 7 Ca 0.16 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 1xhh n ASN 7 Cb 0.37 -1.03 0.00 0.00 1.24 0.00 0.00 39.78 40.36 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 -0.25 3.31 -0.68 1.20 0.00 -1.26 -4.99 117.38 114.72 1xhh n GLN 8 Ca 0.03 -0.23 -0.31 0.00 0.00 0.00 0.00 57.00 56.49 1xhh n GLN 8 Cb 0.55 -0.73 0.17 0.00 0.00 0.00 0.00 30.24 30.23 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 -0.54 -0.94 0.14 2.61 2.88 -1.26 -4.90 113.62 111.61 1xhh n SER 9 Ca 0.00 0.26 0.10 0.00 -1.33 0.00 0.00 58.87 57.90 1xhh n SER 9 Cb 0.00 -1.32 0.06 0.00 -0.75 0.00 0.00 64.21 62.20 1xhh n SER 9 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1xhh h LEU 10 N -1.94 0.00 -7.61 2.46 4.07 -2.03 -3.46 115.31 106.80 1xhh h LEU 10 Ca -0.47 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.34 1xhh h LEU 10 Cb 1.29 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 42.81 1xhh h LEU 10 CO 0.40 0.09 -0.44 -0.54 -1.08 0.00 0.00 178.44 176.87 1xhh s LYS 11 N -3.24 0.43 0.00 1.13 1.02 -1.26 -5.16 119.74 112.66 1xhh s LYS 11 Ca 0.02 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.93 1xhh s LYS 11 Cb 0.08 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1xhh s LYS 11 CO 0.74 -0.10 0.00 -0.35 -0.92 0.00 0.00 175.35 174.73 1xhh n PRO 12 N 2.01 1.83 -3.29 -1.68 -0.04 -1.26 -4.54 135.00 128.03 1xhh n PRO 12 Ca -0.19 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.07 1xhh n PRO 12 Cb 0.57 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 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 0.00 -5.81 -3.63 3.54 5.15 -1.26 -4.95 115.26 108.30 1xhh n ASN 13 Ca 0.00 -0.40 0.02 0.00 -0.60 0.00 0.00 54.58 53.60 1xhh n ASN 13 Cb 0.00 -4.50 -0.00 0.00 -0.53 0.00 0.00 39.78 34.75 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1xhh s GLU 14 N -5.96 0.34 -0.38 1.20 -1.05 -1.26 -4.41 118.70 107.17 1xhh s GLU 14 Ca 0.44 -0.19 0.03 0.00 -0.15 0.00 0.00 54.97 55.09 1xhh s GLU 14 Cb -0.19 0.11 0.16 0.00 -0.44 0.00 0.00 34.13 33.77 1xhh s GLU 14 CO 0.54 -0.15 0.35 0.00 0.95 0.00 0.00 175.26 176.94 1xhh s GLN 16 N 1.04 3.45 0.05 0.00 2.00 -1.26 -2.64 119.66 122.29 1xhh s GLN 16 Ca 0.21 -0.35 -0.23 0.00 -2.00 0.00 0.00 55.36 52.99 1xhh s GLN 16 Cb -0.13 -3.08 0.05 0.00 0.80 0.00 0.00 33.01 30.66 1xhh s GLN 16 CO -0.05 0.65 0.53 0.34 -0.50 0.00 0.00 175.29 176.27 1xhh s ASP 17 N -2.11 -0.46 0.33 6.67 2.15 -1.16 -4.62 116.67 117.48 1xhh s ASP 17 Ca 0.30 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.48 1xhh s ASP 17 Cb -0.13 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 42.99 1xhh s ASP 17 CO 0.21 -0.73 0.00 0.18 -0.17 0.00 0.00 175.17 174.67 1xhh n LEU 18 N 0.40 0.00 -0.44 -1.34 4.32 -1.26 -2.43 117.00 116.25 1xhh n LEU 18 Ca -0.18 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 55.89 1xhh n LEU 18 Cb 0.60 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.58 1xhh n LEU 18 CO 0.19 -0.03 0.62 1.17 -1.22 0.00 0.00 177.39 178.13 1xhh n LYS 19 N 0.00 2.24 -0.44 3.23 3.00 -1.26 -4.60 118.16 120.32 1xhh n LYS 19 Ca 0.00 -2.53 0.00 0.00 -0.00 0.00 0.00 58.31 55.78 1xhh n LYS 19 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.46 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 -0.81 0.46 3.39 3.14 0.00 -1.23 -4.61 105.19 105.53 1xhh n GLY 20 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 2.83 -0.30 1.61 1.01 -1.02 -5.02 120.40 119.51 1xhh s VAL 21 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1xhh s VAL 21 Cb 0.00 -2.12 0.18 0.00 0.00 0.00 0.00 36.38 34.44 1xhh s VAL 21 CO 0.00 0.56 0.85 -0.55 0.00 0.00 0.00 175.10 175.96 1xhh s SER 22 N -0.22 -0.88 0.06 3.32 0.15 -1.25 -2.96 113.70 111.91 1xhh s SER 22 Ca 0.00 0.51 -0.14 0.00 0.70 0.00 0.00 55.95 57.03 1xhh s SER 22 Cb -0.13 1.72 0.02 0.00 -1.71 0.00 0.00 66.02 65.92 1xhh s SER 22 CO 0.03 -0.16 0.31 -1.00 1.20 0.00 0.00 173.24 173.61 1xhh s HIS 23 N 2.91 -0.09 0.62 3.44 3.76 -1.08 -5.00 115.29 119.85 1xhh s HIS 23 Ca 0.09 -0.09 -0.18 0.00 -0.15 0.00 0.00 55.06 54.74 1xhh s HIS 23 Cb -0.12 0.10 -0.04 0.00 1.11 0.00 0.00 32.58 33.64 1xhh s HIS 23 CO -0.16 -0.53 1.05 -0.35 -0.85 0.00 0.00 174.74 173.90 1xhh n PRO 24 N 0.43 0.94 0.00 8.40 -0.04 -1.26 -0.79 135.00 142.68 1xhh n PRO 24 Ca -0.18 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1xhh n PRO 24 Cb 0.60 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 -1.12 0.00 -3.63 1.53 0.00 -1.26 -4.29 117.00 108.24 1xhh n LEU 25 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 56.01 55.95 1xhh n LEU 25 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.90 1xhh n LEU 25 CO 0.48 -1.26 -0.08 -3.20 0.00 0.00 0.00 177.39 173.33 1xhh n ASN 26 N -2.06 -5.56 -3.42 1.96 5.15 -1.26 -4.96 115.26 105.12 1xhh n ASN 26 Ca 0.00 -0.78 -0.17 0.00 -0.60 0.00 0.00 54.58 53.03 1xhh n ASN 26 Cb 0.00 -2.71 -0.10 0.00 -0.53 0.00 0.00 39.78 36.43 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1xhh s SER 27 N -3.08 1.53 -0.12 1.20 0.01 -1.26 -5.08 113.70 106.90 1xhh s SER 27 Ca 0.08 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 1xhh s SER 27 Cb -0.04 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1xhh s SER 27 CO 0.86 -0.37 -0.05 0.68 0.41 0.00 0.00 173.24 174.77 1xhh s VAL 28 N 2.37 3.78 -0.14 3.43 -7.23 -1.26 -3.36 120.40 117.99 1xhh s VAL 28 Ca 0.09 -0.42 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 1xhh s VAL 28 Cb -0.14 -2.61 0.04 0.00 0.56 0.00 0.00 36.38 34.23 1xhh s VAL 28 CO -0.27 0.54 0.35 -1.66 -0.31 0.00 0.00 175.10 173.74 1xhh s TRP 29 N -0.11 -0.42 0.02 2.82 -2.14 -1.09 -5.06 118.94 112.95 1xhh s TRP 29 Ca 0.02 0.99 -0.09 0.00 2.66 0.00 0.00 56.10 59.67 1xhh s TRP 29 Cb -0.13 0.15 0.01 0.00 -3.10 0.00 0.00 33.47 30.39 1xhh s TRP 29 CO 0.03 -0.23 0.19 -1.59 -2.66 0.00 0.00 176.95 172.69 1xhh s LYS 30 N 0.62 0.61 0.00 3.25 -2.85 -1.26 -2.58 119.74 117.52 1xhh s LYS 30 Ca -0.04 -0.48 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 1xhh s LYS 30 Cb -0.05 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 35.97 1xhh s LYS 30 CO -0.04 -0.16 0.00 0.25 0.10 0.00 0.00 175.35 175.50 1xhh n THR 31 N 1.07 0.00 0.00 3.79 -2.24 -0.88 -5.01 114.28 111.02 1xhh n THR 31 Ca -0.21 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 1xhh n THR 31 Cb 0.57 -1.46 -0.13 0.00 -2.10 0.00 0.00 70.33 67.22 1xhh n THR 31 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xhh h LYS 32 N 0.00 0.00 0.00 -0.78 6.56 -1.98 -3.43 116.57 116.93 1xhh h LYS 32 Ca 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 1xhh h LYS 32 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 1xhh h LYS 32 CO 0.00 0.58 -0.07 -3.47 -2.06 0.00 0.00 179.45 174.43 1xhh n ASP 33 N -3.10 -0.23 -0.09 0.86 -0.08 -1.26 -5.02 116.55 107.64 1xhh n ASP 33 Ca -0.12 -0.69 -0.09 0.00 -1.51 0.00 0.00 54.79 52.37 1xhh n ASP 33 Cb 1.01 0.07 -0.03 0.00 2.34 0.00 0.00 41.12 44.51 1xhh n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xhh s GLU 35 N -2.78 1.37 -0.31 0.00 2.12 -1.26 -3.14 118.70 114.70 1xhh s GLU 35 Ca -0.27 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 54.48 1xhh s GLU 35 Cb 0.04 0.59 0.10 0.00 0.26 0.00 0.00 34.13 35.12 1xhh s GLU 35 CO 0.39 -0.60 0.11 -2.00 -0.54 0.00 0.00 175.26 172.62 1xhh s GLU 36 N -3.78 0.57 -0.14 4.30 2.12 -0.73 -2.08 118.70 118.96 1xhh s GLU 36 Ca 0.03 -0.93 -0.05 0.00 0.36 0.00 0.00 54.97 54.38 1xhh s GLU 36 Cb -0.02 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.59 1xhh s GLU 36 CO -0.09 -1.00 0.03 0.00 -0.54 0.00 0.00 175.26 173.65 1xhh s THR 38 N -0.10 1.69 -0.34 0.00 -4.23 0.53 -2.68 115.64 110.51 1xhh s THR 38 Ca 0.05 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 1xhh s THR 38 Cb -0.12 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 71.87 1xhh s THR 38 CO 0.02 -0.48 0.11 0.00 -0.54 0.00 0.00 174.62 173.73 1xhh s GLY 40 N 1.44 1.62 0.16 0.00 0.00 0.31 -4.63 107.32 106.23 1xhh s GLY 40 Ca -0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 44.72 43.95 1xhh s GLY 40 CO 0.02 -0.20 1.74 -1.61 0.00 0.00 0.00 173.10 173.05 1xhh h GLN 41 N -0.67 0.22 0.00 2.90 4.15 -1.98 -3.23 115.11 116.50 1xhh h GLN 41 Ca -0.45 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 58.88 1xhh h GLN 41 Cb 1.29 -0.05 -0.15 0.00 0.21 0.00 0.00 27.48 28.77 1xhh h GLN 41 CO 0.63 0.15 -0.66 -3.47 -1.93 0.00 0.00 178.83 173.55 1xhh n ASP 42 N -5.06 1.31 -3.69 -0.69 -0.08 -1.26 -4.80 116.55 102.28 1xhh n ASP 42 Ca 0.01 -2.86 -0.07 0.00 -1.51 0.00 0.00 54.79 50.36 1xhh n ASP 42 Cb 0.15 -0.39 -0.01 0.00 2.34 0.00 0.00 41.12 43.20 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 -1.57 -1.09 -0.03 -1.67 0.00 -1.22 -3.67 121.76 112.52 1xhh s ALA 43 Ca 0.32 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1xhh s ALA 43 Cb 0.33 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.30 1xhh s ALA 43 CO -0.09 -1.02 -0.01 0.42 0.00 0.00 0.00 175.76 175.05 1xhh s ILE 44 N -3.62 0.27 -0.09 0.00 1.01 -0.53 0.11 121.20 118.36 1xhh s ILE 44 Ca 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 1xhh s ILE 44 Cb -0.06 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 1xhh s ILE 44 CO 0.08 0.16 -0.05 -0.94 0.00 0.00 0.00 174.94 174.19 1xhh s SER 45 N 0.94 4.75 -0.10 3.58 1.04 -0.96 -0.18 113.70 122.77 1xhh s SER 45 Ca -0.10 -0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 1xhh s SER 45 Cb -0.13 -1.35 0.05 0.00 0.10 0.00 0.00 66.02 64.69 1xhh s SER 45 CO -0.01 0.32 0.23 0.00 0.98 0.00 0.00 173.24 174.76 1xhh s ASN 48 N 1.25 4.78 0.00 0.00 4.22 -1.26 -1.77 114.94 122.16 1xhh s ASN 48 Ca -0.03 -0.05 0.00 0.00 -2.14 0.00 0.00 52.86 50.64 1xhh s ASN 48 Cb -0.18 -1.49 0.00 0.00 1.28 0.00 0.00 41.25 40.86 1xhh s ASN 48 CO -0.04 0.28 0.50 0.35 -2.04 0.00 0.00 177.10 176.15 1xhh n THR 49 N 2.80 0.19 -2.24 0.54 -2.24 -1.19 -4.89 114.28 107.26 1xhh n THR 49 Ca -0.18 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 1xhh n THR 49 Cb 0.53 1.10 0.07 0.00 -2.10 0.00 0.00 70.33 69.92 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 -0.19 3.22 0.64 6.98 0.00 -1.25 -5.00 121.76 126.16 1xhh s ALA 50 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1xhh s ALA 50 Cb 0.00 -2.55 -0.09 0.00 0.00 0.00 0.00 23.12 20.48 1xhh s ALA 50 CO 0.00 -1.26 0.31 0.00 0.00 0.00 0.00 175.76 174.81 1xhh n ALA 51 N -2.88 -1.95 -2.64 0.00 0.00 -1.26 -4.97 120.51 106.82 1xhh n ALA 51 Ca 0.08 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 1xhh n ALA 51 Cb 0.60 -1.71 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.87 3.79 0.24 0.00 1.09 -0.55 -4.77 121.20 119.13 1xhh s ILE 52 Ca 0.63 -0.44 -0.31 0.00 -1.10 0.00 0.00 60.65 59.43 1xhh s ILE 52 Cb -0.40 -2.56 -0.13 0.00 -1.06 0.00 0.00 42.46 38.30 1xhh s ILE 52 CO 0.60 0.59 1.49 -2.65 -0.10 0.00 0.00 174.94 174.86 1xhh n PRO 53 N 2.36 2.23 -3.32 2.79 -0.01 -1.26 -2.64 135.00 135.15 1xhh n PRO 53 Ca -0.18 0.79 -0.14 0.00 -0.01 0.00 0.00 63.50 63.97 1xhh n PRO 53 Cb 0.53 -2.50 -0.04 0.00 -0.01 0.00 0.00 33.50 31.48 1xhh n PRO 53 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 1xhh n THR 54 N 2.26 0.00 -0.55 3.45 -2.24 -0.56 -4.73 114.28 111.92 1xhh n THR 54 Ca 0.12 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 1xhh n THR 54 Cb 0.32 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1xhh n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xhh n GLY 55 N 0.58 0.00 3.71 3.38 0.00 -1.26 -3.96 105.19 107.63 1xhh n GLY 55 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.91 3.44 -0.31 1.61 5.04 -1.26 -4.63 117.35 120.32 1xhh s TYR 56 Ca 0.00 0.63 -0.26 0.00 -2.44 0.00 0.00 57.07 55.00 1xhh s TYR 56 Cb 0.00 -2.42 0.01 0.00 0.35 0.00 0.00 41.96 39.90 1xhh s TYR 56 CO 0.00 0.15 0.90 -0.51 -1.34 0.00 0.00 175.55 174.75 1xhh s ASP 57 N 0.69 6.77 -0.50 4.32 1.01 -1.26 -4.92 116.67 122.78 1xhh s ASP 57 Ca 0.18 0.80 -0.27 0.00 0.71 0.00 0.00 52.55 53.97 1xhh s ASP 57 Cb -0.14 -2.46 -0.27 0.00 1.01 0.00 0.00 42.92 41.07 1xhh s ASP 57 CO 0.06 -0.73 1.80 0.35 0.21 0.00 0.00 175.17 176.86 1xhh n THR 58 N 5.68 0.73 -0.09 -1.27 -2.24 -1.26 -4.50 114.28 111.33 1xhh n THR 58 Ca 0.07 -0.67 -0.17 0.00 -2.27 0.00 0.00 64.05 61.01 1xhh n THR 58 Cb 0.48 -2.11 -0.10 0.00 -2.10 0.00 0.00 70.33 66.49 1xhh n THR 58 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xhh h ASN 59 N 9.57 0.00 0.00 3.42 -0.26 -2.01 -3.46 115.58 122.84 1xhh h ASN 59 Ca 0.27 -0.57 -0.14 0.00 -0.56 0.00 0.00 56.30 55.30 1xhh h ASN 59 Cb 0.75 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.90 1xhh h ASN 59 CO 1.80 1.24 -0.04 1.17 -1.06 0.00 0.00 177.43 180.53 1xhh n LYS 60 N -4.52 0.44 -4.06 0.81 4.81 -1.26 -5.16 118.16 109.23 1xhh n LYS 60 Ca -0.22 -1.07 -0.11 0.00 -0.87 0.00 0.00 58.31 56.04 1xhh n LYS 60 Cb 0.55 -0.29 -0.05 0.00 0.02 0.00 0.00 35.03 35.26 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 -3.66 1.24 0.03 0.00 0.74 -0.55 -4.94 119.66 112.51 1xhh s GLN 62 Ca 0.28 -1.63 0.03 0.00 0.05 0.00 0.00 55.36 54.09 1xhh s GLN 62 Cb 0.00 -0.22 -0.04 0.00 1.10 0.00 0.00 33.01 33.86 1xhh s GLN 62 CO 0.13 -0.22 -0.04 -1.59 -0.55 0.00 0.00 175.29 173.02 1xhh s LYS 63 N -3.98 2.56 0.00 1.67 -2.85 -1.26 -1.76 119.74 114.12 1xhh s LYS 63 Ca 0.31 -0.75 -0.00 0.00 -1.00 0.00 0.00 55.97 54.52 1xhh s LYS 63 Cb 0.07 -2.53 -0.00 0.00 -2.06 0.00 0.00 37.83 33.31 1xhh s LYS 63 CO 0.08 0.59 0.00 -1.50 0.10 0.00 0.00 175.35 174.63 1xhh s ILE 64 N -1.10 0.03 -0.36 3.79 2.07 0.55 -4.95 121.20 121.23 1xhh s ILE 64 Ca 0.20 -0.26 -0.21 0.00 -1.41 0.00 0.00 60.65 58.96 1xhh s ILE 64 Cb -0.11 -0.10 0.01 0.00 0.13 0.00 0.00 42.46 42.38 1xhh s ILE 64 CO 0.11 -0.14 0.68 -0.22 -1.91 0.00 0.00 174.94 173.45 1xhh s LEU 65 N -0.42 4.23 -1.10 8.50 1.98 -1.26 -0.77 118.68 129.84 1xhh s LEU 65 Ca -0.05 0.19 -0.22 0.00 -2.89 0.00 0.00 54.13 51.17 1xhh s LEU 65 Cb -0.03 -2.85 0.05 0.00 0.66 0.00 0.00 46.19 44.02 1xhh s LEU 65 CO -0.00 -0.64 1.54 0.21 -1.89 0.00 0.00 176.35 175.57 1xhh s ASN 66 N 1.81 6.57 0.28 3.68 3.04 0.13 -4.78 114.94 125.67 1xhh s ASN 66 Ca 0.26 -1.71 0.14 0.00 0.04 0.00 0.00 52.86 51.59 1xhh s ASN 66 Cb -0.14 -2.57 0.79 0.00 -1.54 0.00 0.00 41.25 37.78 1xhh s ASN 66 CO 0.16 -1.44 1.37 2.29 -3.04 0.00 0.00 177.10 176.44 1xhh n LYS 67 N 8.75 0.10 -0.08 0.43 -0.00 -1.26 -0.61 118.16 125.48 1xhh n LYS 67 Ca 0.38 0.57 -0.07 0.00 -0.00 0.00 0.00 58.31 59.19 1xhh n LYS 67 Cb 0.50 -1.99 -0.00 0.00 -0.00 0.00 0.00 35.03 33.54 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 0.00 0.05 0.00 -1.58 1.79 -1.96 -3.22 116.57 111.65 1xhh h LYS 68 Ca 0.00 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1xhh h LYS 68 Cb 0.34 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 30.89 1xhh h LYS 68 CO 0.00 0.03 -0.50 0.25 -1.08 0.00 0.00 179.45 178.15 1xhh n THR 69 N -5.20 0.95 -3.21 -0.16 -2.24 -0.77 -5.03 114.28 98.62 1xhh n THR 69 Ca 0.00 -1.50 -0.18 0.00 -2.27 0.00 0.00 64.05 60.10 1xhh n THR 69 Cb 0.16 0.27 0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.40 0.06 -0.28 0.00 -4.23 -1.07 -4.94 115.64 102.78 1xhh s THR 71 Ca 0.21 -1.59 -0.06 0.00 -1.18 0.00 0.00 61.69 59.07 1xhh s THR 71 Cb -0.04 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.81 1xhh s THR 71 CO 0.81 -0.28 0.05 -0.31 -0.54 0.00 0.00 174.62 174.35 1xhh s TYR 72 N -4.02 3.12 0.25 3.99 2.02 -1.26 0.20 117.35 121.66 1xhh s TYR 72 Ca 0.22 -1.07 0.10 0.00 -0.37 0.00 0.00 57.07 55.94 1xhh s TYR 72 Cb 0.04 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 1xhh s TYR 72 CO 0.03 -0.60 -0.06 0.95 -1.57 0.00 0.00 175.55 174.30 1xhh s THR 73 N 1.47 3.21 -0.17 -0.71 -4.23 0.05 -4.93 115.64 110.33 1xhh s THR 73 Ca 0.02 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1xhh s THR 73 Cb -0.17 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.01 1xhh s THR 73 CO 0.01 -0.32 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.88 1xhh s VAL 74 N -2.21 2.03 0.39 2.29 1.01 -1.26 -0.33 120.40 122.32 1xhh s VAL 74 Ca 0.30 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1xhh s VAL 74 Cb -0.07 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1xhh s VAL 74 CO 0.18 0.54 0.26 0.68 0.00 0.00 0.00 175.10 176.76 1xhh s VAL 75 N 1.20 2.79 -0.06 2.92 -7.23 -0.72 -2.01 120.40 117.29 1xhh s VAL 75 Ca 0.02 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1xhh s VAL 75 Cb -0.14 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 1xhh s VAL 75 CO -0.11 -0.07 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.87 1xhh s GLU 76 N -3.99 2.78 0.09 4.82 2.12 -1.24 -1.49 118.70 121.80 1xhh s GLU 76 Ca 0.43 -0.54 0.16 0.00 0.36 0.00 0.00 54.97 55.38 1xhh s GLU 76 Cb -0.02 -2.64 0.69 0.00 0.26 0.00 0.00 34.13 32.43 1xhh s GLU 76 CO 0.25 0.66 1.50 1.63 -0.54 0.00 0.00 175.26 178.76 1xhh n LYS 77 N 2.02 0.07 0.00 4.30 4.76 -1.25 -2.32 118.16 125.73 1xhh n LYS 77 Ca -0.17 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1xhh n LYS 77 Cb 0.53 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.76 -0.69 -2.88 1.97 3.00 -1.26 -4.85 118.16 111.69 1xhh n LYS 78 Ca 0.02 -0.47 -0.12 0.00 -0.00 0.00 0.00 58.31 57.74 1xhh n LYS 78 Cb 0.16 -0.97 0.01 0.00 0.00 0.00 0.00 35.03 34.23 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 -0.04 -2.19 0.01 3.14 -0.08 -0.98 -4.97 116.55 111.44 1xhh n ASP 79 Ca 0.00 -3.08 0.04 0.00 -1.51 0.00 0.00 54.79 50.24 1xhh n ASP 79 Cb 0.00 1.17 0.18 0.00 2.34 0.00 0.00 41.12 44.81 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 1.83 0.01 -0.08 -0.67 -0.05 -1.17 -1.47 135.00 133.39 1xhh n PRO 80 Ca 0.14 0.38 0.11 0.00 -0.05 0.00 0.00 63.50 64.08 1xhh n PRO 80 Cb 0.59 -1.52 0.35 0.00 -0.05 0.00 0.00 33.50 32.87 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 -0.75 0.51 2.81 0.55 0.00 -1.26 -4.82 105.19 102.23 1xhh n GLY 81 Ca 0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.78 -0.02 0.61 1.61 1.02 -0.54 -5.14 119.74 115.48 1xhh s LYS 82 Ca 0.34 0.13 -0.14 0.00 0.02 0.00 0.00 55.97 56.32 1xhh s LYS 82 Cb 0.19 -0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.30 1xhh s LYS 82 CO 0.28 -0.11 1.04 0.95 -0.92 0.00 0.00 175.35 176.59 1xhh s THR 83 N 0.72 4.10 0.05 2.17 -4.23 -1.26 -3.86 115.64 113.33 1xhh s THR 83 Ca -0.06 0.89 -0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1xhh s THR 83 Cb -0.09 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.26 1xhh s THR 83 CO -0.02 -0.70 0.07 0.00 -0.54 0.00 0.00 174.62 173.44 1xhh s ASP 85 N -1.29 6.87 0.27 0.00 -1.08 -1.26 -4.95 116.67 115.23 1xhh s ASP 85 Ca 0.05 2.49 0.03 0.00 -0.52 0.00 0.00 52.55 54.60 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 0.03 -0.52 0.03 -0.69 0.52 0.00 0.00 175.17 174.54 1xhh s VAL 86 N -0.31 1.05 0.00 1.11 1.01 -1.26 -4.77 120.40 117.22 1xhh s VAL 86 Ca 0.54 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1xhh s VAL 86 Cb -0.37 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1xhh s VAL 86 CO 0.43 -0.17 0.00 0.41 0.00 0.00 0.00 175.10 175.77 1xhh n THR 87 N -0.52 0.00 0.00 3.92 -1.04 -1.26 -4.93 114.28 110.45 1xhh n THR 87 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1xhh n THR 87 Cb 0.65 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 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 1.24 2.05 3.72 3.41 0.00 -1.25 -5.03 105.19 109.32 1xhh n GLY 88 Ca 0.00 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 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 2.88 0.01 1.61 0.51 -1.26 -1.49 118.94 119.20 1xhh s TRP 89 Ca 0.00 -0.17 -0.09 0.00 -2.12 0.00 0.00 56.10 53.72 1xhh s TRP 89 Cb 0.00 -1.29 0.01 0.00 -0.81 0.00 0.00 33.47 31.37 1xhh s TRP 89 CO 0.00 0.57 0.19 0.08 -0.51 0.00 0.00 176.95 177.28 1xhh s VAL 90 N -2.20 0.09 -1.29 4.03 1.01 -1.08 -4.90 120.40 116.05 1xhh s VAL 90 Ca 0.32 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1xhh s VAL 90 Cb -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1xhh s VAL 90 CO 0.22 -0.39 0.32 0.18 0.00 0.00 0.00 175.10 175.43