#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 -3.10 -0.44 -0.13 0.00 -0.85 -1.07 -5.02 117.35 106.74 1xhh s TYR 3 Ca 0.54 1.03 -0.02 0.00 -0.52 0.00 0.00 57.07 58.10 1xhh s TYR 3 Cb -0.11 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.36 1xhh s TYR 3 CO 0.50 -0.23 -0.06 -0.59 -1.52 0.00 0.00 175.55 173.65 1xhh s PHE 4 N 0.57 2.98 -0.14 -3.49 -0.71 -1.26 -2.58 117.98 113.36 1xhh s PHE 4 Ca -0.03 -0.24 -0.03 0.00 -1.04 0.00 0.00 56.93 55.59 1xhh s PHE 4 Cb -0.05 -1.88 -0.03 0.00 -1.21 0.00 0.00 43.02 39.86 1xhh s PHE 4 CO -0.03 0.05 -0.05 0.42 -1.34 0.00 0.00 175.22 174.27 1xhh s ILE 5 N 0.03 3.81 0.30 -4.49 -1.09 -0.47 -4.91 121.20 114.38 1xhh s ILE 5 Ca -0.00 -0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 1xhh s ILE 5 Cb -0.14 -2.64 -0.12 0.00 -1.58 0.00 0.00 42.46 37.98 1xhh s ILE 5 CO 0.03 0.52 1.56 -0.81 -1.23 0.00 0.00 174.94 175.00 1xhh n PRO 6 N 3.29 2.63 -0.98 2.79 -0.04 -1.26 -2.17 135.00 139.25 1xhh n PRO 6 Ca -0.18 0.93 -0.35 0.00 -0.04 0.00 0.00 63.50 63.87 1xhh n PRO 6 Cb 0.53 -2.69 0.08 0.00 -0.04 0.00 0.00 33.50 31.37 1xhh n PRO 6 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xhh n ASN 7 N 1.88 -3.17 0.00 3.54 4.13 -1.26 -4.86 115.26 115.52 1xhh n ASN 7 Ca 0.08 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.69 1xhh n ASN 7 Cb 0.37 -1.06 0.00 0.00 -1.54 0.00 0.00 39.78 37.55 1xhh n ASN 7 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xhh n GLN 8 N -0.08 0.04 -0.61 3.52 3.00 -1.26 -5.07 117.38 116.93 1xhh n GLN 8 Ca 0.05 -0.35 -0.31 0.00 -0.01 0.00 0.00 57.00 56.38 1xhh n GLN 8 Cb 0.53 -0.51 0.20 0.00 0.00 0.00 0.00 30.24 30.46 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 -0.01 -1.78 0.08 1.08 2.88 -1.26 -4.92 113.62 109.70 1xhh n SER 9 Ca 0.00 -0.02 0.08 0.00 -1.33 0.00 0.00 58.87 57.60 1xhh n SER 9 Cb 0.41 -1.17 -0.03 0.00 -0.75 0.00 0.00 64.21 62.67 1xhh n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xhh n LEU 10 N -3.27 0.82 -4.05 2.46 -0.00 -1.26 -4.91 117.00 106.80 1xhh n LEU 10 Ca 0.04 0.33 -0.13 0.00 -0.00 0.00 0.00 56.01 56.25 1xhh n LEU 10 Cb 0.57 -0.02 -0.11 0.00 -0.00 0.00 0.00 43.42 43.85 1xhh n LEU 10 CO 0.54 -0.09 -0.40 -0.54 -0.00 0.00 0.00 177.39 176.90 1xhh s LYS 11 N -3.24 0.49 0.00 1.47 1.02 -1.26 -5.16 119.74 113.06 1xhh s LYS 11 Ca -0.01 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1xhh s LYS 11 Cb 0.09 -0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 1xhh s LYS 11 CO 0.80 0.04 0.00 -0.35 -0.92 0.00 0.00 175.35 174.92 1xhh n PRO 12 N 1.56 -0.97 -3.94 -1.68 -0.04 -1.26 -4.07 135.00 124.59 1xhh n PRO 12 Ca -0.22 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.93 1xhh n PRO 12 Cb 0.55 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.03 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 -2.19 -4.68 -4.01 3.54 5.03 -1.26 -4.95 115.26 106.75 1xhh n ASN 13 Ca 0.00 -0.80 -0.09 0.00 0.87 0.00 0.00 54.58 54.56 1xhh n ASN 13 Cb 0.00 -3.74 -0.08 0.00 -1.02 0.00 0.00 39.78 34.94 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1xhh s GLU 14 N -6.66 0.90 -0.46 3.52 2.02 -1.26 -3.37 118.70 113.40 1xhh s GLU 14 Ca 0.68 -1.20 0.07 0.00 0.02 0.00 0.00 54.97 54.54 1xhh s GLU 14 Cb -0.34 0.30 0.26 0.00 0.10 0.00 0.00 34.13 34.44 1xhh s GLU 14 CO 0.84 -0.27 0.86 0.00 0.02 0.00 0.00 175.26 176.70 1xhh s GLN 16 N 0.21 2.72 -0.11 0.00 -2.07 -1.26 -3.63 119.66 115.51 1xhh s GLN 16 Ca 0.31 -1.29 -0.08 0.00 -1.82 0.00 0.00 55.36 52.49 1xhh s GLN 16 Cb 0.23 -2.73 0.04 0.00 -1.09 0.00 0.00 33.01 29.46 1xhh s GLN 16 CO -0.19 -0.39 0.28 0.34 -1.32 0.00 0.00 175.29 174.01 1xhh s ASP 17 N -4.41 -0.31 0.72 12.60 -1.08 -1.16 -4.63 116.67 118.41 1xhh s ASP 17 Ca 0.56 0.58 0.00 0.00 -0.52 0.00 0.00 52.55 53.18 1xhh s ASP 17 Cb -0.09 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 41.89 1xhh s ASP 17 CO 0.34 -0.14 0.00 0.18 0.52 0.00 0.00 175.17 176.08 1xhh n LEU 18 N 3.60 0.00 -0.26 -1.34 4.77 -1.26 -2.08 117.00 120.43 1xhh n LEU 18 Ca -0.19 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.82 1xhh n LEU 18 Cb 0.56 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1xhh n LEU 18 CO 0.15 0.00 0.40 1.17 -1.33 0.00 0.00 177.39 177.78 1xhh n LYS 19 N 7.79 0.62 -0.11 3.23 3.00 -1.26 -4.67 118.16 126.76 1xhh n LYS 19 Ca 0.00 -1.09 -0.20 0.00 -0.00 0.00 0.00 58.31 57.02 1xhh n LYS 19 Cb 0.00 -1.12 -0.09 0.00 0.00 0.00 0.00 35.03 33.82 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 0.25 -0.34 3.79 3.14 0.00 -1.22 -4.66 105.19 106.15 1xhh n GLY 20 Ca 0.04 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.43 3.83 -0.30 1.61 1.01 -0.89 -4.97 120.40 118.27 1xhh s VAL 21 Ca -0.31 1.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.84 1xhh s VAL 21 Cb 0.10 -3.59 0.18 0.00 0.00 0.00 0.00 36.38 33.08 1xhh s VAL 21 CO 0.45 -0.12 1.01 -0.55 0.00 0.00 0.00 175.10 175.89 1xhh s SER 22 N -1.80 -0.52 -0.01 3.32 0.15 -1.26 -2.97 113.70 110.61 1xhh s SER 22 Ca 0.62 0.12 -0.16 0.00 0.70 0.00 0.00 55.95 57.23 1xhh s SER 22 Cb -0.18 1.35 0.03 0.00 -1.71 0.00 0.00 66.02 65.51 1xhh s SER 22 CO 0.23 -0.10 0.34 -1.00 1.20 0.00 0.00 173.24 173.92 1xhh s HIS 23 N 2.95 -0.22 1.14 3.44 3.76 -1.24 -4.97 115.29 120.15 1xhh s HIS 23 Ca 0.19 0.31 -0.16 0.00 -0.15 0.00 0.00 55.06 55.25 1xhh s HIS 23 Cb -0.05 0.13 0.19 0.00 1.11 0.00 0.00 32.58 33.96 1xhh s HIS 23 CO -0.20 -0.43 0.49 -0.35 -0.85 0.00 0.00 174.74 173.41 1xhh n PRO 24 N 1.14 -1.99 0.00 8.40 -0.04 -1.26 -1.30 135.00 139.95 1xhh n PRO 24 Ca -0.21 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 1xhh n PRO 24 Cb 0.57 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 -3.22 0.00 -3.39 1.53 0.00 -1.22 -4.09 117.00 106.61 1xhh n LEU 25 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.80 1xhh n LEU 25 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.98 1xhh n LEU 25 CO 0.54 -0.50 -0.06 -3.20 0.00 0.00 0.00 177.39 174.17 1xhh n ASN 26 N -1.39 -3.00 -4.00 1.96 2.85 -1.26 -4.89 115.26 105.52 1xhh n ASN 26 Ca 0.00 -0.37 -0.31 0.00 -0.11 0.00 0.00 54.58 53.79 1xhh n ASN 26 Cb 0.00 -2.53 -0.15 0.00 1.24 0.00 0.00 39.78 38.34 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1xhh s SER 27 N -2.67 4.70 -0.20 1.20 0.01 -1.26 -5.08 113.70 110.39 1xhh s SER 27 Ca 0.40 -2.16 -0.05 0.00 1.31 0.00 0.00 55.95 55.44 1xhh s SER 27 Cb -0.22 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.42 1xhh s SER 27 CO 0.49 -0.38 -0.01 0.68 0.41 0.00 0.00 173.24 174.43 1xhh s VAL 28 N 0.89 3.79 -0.05 3.43 -7.23 -1.26 -3.79 120.40 116.18 1xhh s VAL 28 Ca 0.11 -0.37 -0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1xhh s VAL 28 Cb -0.19 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.07 1xhh s VAL 28 CO -0.09 0.43 0.10 -1.66 -0.31 0.00 0.00 175.10 173.57 1xhh s TRP 29 N 1.11 -0.09 -0.01 2.82 -2.14 -1.07 -5.05 118.94 114.51 1xhh s TRP 29 Ca 0.02 0.36 0.00 0.00 2.66 0.00 0.00 56.10 59.14 1xhh s TRP 29 Cb -0.14 -0.15 0.02 0.00 -3.10 0.00 0.00 33.47 30.09 1xhh s TRP 29 CO 0.01 -0.14 0.02 0.15 -2.66 0.00 0.00 176.95 174.32 1xhh s LYS 30 N 1.21 -0.01 0.83 3.25 1.02 -1.26 -2.54 119.74 122.24 1xhh s LYS 30 Ca -0.08 0.12 -0.14 0.00 0.02 0.00 0.00 55.97 55.89 1xhh s LYS 30 Cb -0.12 -0.19 0.20 0.00 -0.52 0.00 0.00 37.83 37.20 1xhh s LYS 30 CO -0.05 -0.12 0.87 0.25 -0.92 0.00 0.00 175.35 175.39 1xhh n THR 31 N 3.85 0.00 0.10 2.17 -2.24 -0.44 -4.95 114.28 112.77 1xhh n THR 31 Ca -0.23 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.02 1xhh n THR 31 Cb 0.53 -1.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.37 1xhh n THR 31 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xhh h LYS 32 N 0.00 0.00 0.00 -0.78 3.64 -1.99 -3.42 116.57 114.02 1xhh h LYS 32 Ca -0.31 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1xhh h LYS 32 Cb 0.90 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1xhh h LYS 32 CO 0.21 0.76 -0.05 -0.40 -2.27 0.00 0.00 179.45 177.71 1xhh n ASP 33 N -3.33 -0.16 -0.08 4.20 5.68 -1.26 -5.01 116.55 116.58 1xhh n ASP 33 Ca 0.01 -0.68 -0.12 0.00 -0.50 0.00 0.00 54.79 53.50 1xhh n ASP 33 Cb 0.83 0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.81 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 -2.72 0.77 -0.40 0.00 2.12 -1.26 -2.82 118.70 114.40 1xhh s GLU 35 Ca -0.27 0.72 -0.01 0.00 0.36 0.00 0.00 54.97 55.77 1xhh s GLU 35 Cb 0.06 0.37 0.11 0.00 0.26 0.00 0.00 34.13 34.93 1xhh s GLU 35 CO 0.39 -0.13 0.17 -1.21 -0.54 0.00 0.00 175.26 173.94 1xhh s GLU 36 N 0.02 1.88 -0.15 4.30 2.02 -0.68 -1.32 118.70 124.77 1xhh s GLU 36 Ca -0.02 -1.87 -0.02 0.00 0.02 0.00 0.00 54.97 53.07 1xhh s GLU 36 Cb -0.04 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.68 1xhh s GLU 36 CO 0.02 -1.04 -0.07 0.00 0.02 0.00 0.00 175.26 174.19 1xhh s THR 38 N 0.41 1.47 -0.41 0.00 -4.23 0.76 -2.58 115.64 111.06 1xhh s THR 38 Ca -0.06 -2.13 -0.04 0.00 -1.18 0.00 0.00 61.69 58.28 1xhh s THR 38 Cb -0.15 -2.15 0.10 0.00 1.34 0.00 0.00 72.50 71.65 1xhh s THR 38 CO 0.04 -0.51 0.22 0.00 -0.54 0.00 0.00 174.62 173.82 1xhh s GLY 40 N 1.94 2.93 0.00 0.00 0.00 0.69 -4.74 107.32 108.15 1xhh s GLY 40 Ca 0.06 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.65 1xhh s GLY 40 CO -0.03 1.39 1.02 -0.18 0.00 0.00 0.00 173.10 175.30 1xhh n GLN 41 N 0.62 0.00 0.00 2.90 -0.06 -1.26 -2.08 117.38 117.51 1xhh n GLN 41 Ca 0.02 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.46 1xhh n GLN 41 Cb 0.46 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.14 1xhh n GLN 41 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1xhh n ASP 42 N -1.47 1.93 -2.81 1.69 5.68 -1.26 -5.08 116.55 115.24 1xhh n ASP 42 Ca 0.00 -0.10 -0.09 0.00 -0.50 0.00 0.00 54.79 54.11 1xhh n ASP 42 Cb 0.02 0.58 0.03 0.00 -1.14 0.00 0.00 41.12 40.61 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 -0.97 -0.69 -0.06 2.12 0.00 -0.88 -4.24 121.76 117.04 1xhh s ALA 43 Ca 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.21 1xhh s ALA 43 Cb 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 1xhh s ALA 43 CO 0.00 -0.98 -0.24 0.42 0.00 0.00 0.00 175.76 174.96 1xhh s ILE 44 N -2.10 2.01 -0.14 0.00 1.01 -0.92 0.25 121.20 121.31 1xhh s ILE 44 Ca 0.16 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 1xhh s ILE 44 Cb -0.05 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1xhh s ILE 44 CO 0.12 0.56 -0.05 -0.94 0.00 0.00 0.00 174.94 174.63 1xhh s SER 45 N -0.11 4.70 -0.09 3.58 1.04 -0.85 -1.37 113.70 120.61 1xhh s SER 45 Ca -0.05 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 1xhh s SER 45 Cb -0.14 -1.65 0.05 0.00 0.10 0.00 0.00 66.02 64.38 1xhh s SER 45 CO 0.04 0.21 0.18 0.00 0.98 0.00 0.00 173.24 174.65 1xhh s ASN 48 N 0.40 4.80 0.00 0.00 2.20 -1.26 -1.68 114.94 119.40 1xhh s ASN 48 Ca -0.16 -0.06 0.00 0.00 -0.94 0.00 0.00 52.86 51.70 1xhh s ASN 48 Cb -0.17 -1.19 0.00 0.00 -2.00 0.00 0.00 41.25 37.88 1xhh s ASN 48 CO 0.07 0.31 0.00 0.41 -2.94 0.00 0.00 177.10 174.95 1xhh n THR 49 N 1.73 0.00 -0.78 0.54 -1.04 -1.13 -4.72 114.28 108.88 1xhh n THR 49 Ca -0.16 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.51 1xhh n THR 49 Cb 0.53 0.44 0.23 0.00 -1.82 0.00 0.00 70.33 69.71 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 -1.23 -0.04 1.06 2.41 0.00 -1.25 -4.94 121.76 117.78 1xhh s ALA 50 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.43 1xhh s ALA 50 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1xhh s ALA 50 CO 0.00 -3.56 -0.81 0.00 0.00 0.00 0.00 175.76 171.39 1xhh n ALA 51 N -4.70 -5.01 -3.15 0.00 0.00 -1.26 -4.96 120.51 101.42 1xhh n ALA 51 Ca 0.04 -1.35 -0.33 0.00 0.00 0.00 0.00 53.44 51.80 1xhh n ALA 51 Cb 0.56 -1.13 -0.15 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.11 2.80 0.20 0.00 1.10 -0.13 -4.85 121.20 118.21 1xhh s ILE 52 Ca 0.45 -0.75 -0.33 0.00 -0.51 0.00 0.00 60.65 59.52 1xhh s ILE 52 Cb 0.00 -2.16 -0.13 0.00 0.15 0.00 0.00 42.46 40.33 1xhh s ILE 52 CO 0.66 0.53 1.65 -2.65 -2.11 0.00 0.00 174.94 173.01 1xhh n PRO 53 N 3.59 2.50 -4.45 3.50 -0.01 -1.26 -1.84 135.00 137.02 1xhh n PRO 53 Ca -0.18 0.90 -0.27 0.00 -0.01 0.00 0.00 63.50 63.93 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 0.25 -0.01 0.00 0.00 175.50 175.74 1xhh n THR 54 N 3.56 0.00 -0.72 3.45 -2.24 -0.41 -4.69 114.28 113.22 1xhh n THR 54 Ca 0.16 -2.34 -0.03 0.00 -2.27 0.00 0.00 64.05 59.57 1xhh n THR 54 Cb 0.32 0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.81 0.29 3.60 3.38 0.00 -1.26 -3.92 105.19 106.47 1xhh n GLY 55 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.89 3.09 -0.52 1.61 5.04 -1.26 -4.33 117.35 120.09 1xhh s TYR 56 Ca 0.00 0.70 -0.28 0.00 -2.44 0.00 0.00 57.07 55.05 1xhh s TYR 56 Cb 0.00 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.74 1xhh s TYR 56 CO 0.00 -0.80 1.57 0.16 -1.34 0.00 0.00 175.55 175.14 1xhh s ASP 57 N 1.87 5.94 -0.87 4.32 -4.77 -1.26 -4.87 116.67 117.03 1xhh s ASP 57 Ca 0.36 0.52 -0.14 0.00 -3.30 0.00 0.00 52.55 49.99 1xhh s ASP 57 Cb -0.12 -2.54 -0.10 0.00 -1.09 0.00 0.00 42.92 39.07 1xhh s ASP 57 CO 0.18 -1.81 2.03 0.35 0.70 0.00 0.00 175.17 176.62 1xhh n THR 58 N 7.04 2.19 0.04 2.11 -2.24 -1.26 -4.48 114.28 117.68 1xhh n THR 58 Ca 0.16 -1.59 -0.20 0.00 -2.27 0.00 0.00 64.05 60.15 1xhh n THR 58 Cb 0.49 -2.25 -0.14 0.00 -2.10 0.00 0.00 70.33 66.33 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 7.06 0.42 0.00 3.42 -0.26 -1.99 -3.44 115.58 120.79 1xhh h ASN 59 Ca 0.46 -0.94 -0.16 0.00 -0.56 0.00 0.00 56.30 55.11 1xhh h ASN 59 Cb 0.43 -0.14 -0.12 0.00 -1.06 0.00 0.00 38.32 37.42 1xhh h ASN 59 CO 1.72 1.40 -0.14 1.17 -1.06 0.00 0.00 177.43 180.53 1xhh n LYS 60 N -4.13 0.56 -3.83 0.81 4.81 -1.26 -5.15 118.16 109.97 1xhh n LYS 60 Ca -0.15 -1.25 -0.10 0.00 -0.87 0.00 0.00 58.31 55.94 1xhh n LYS 60 Cb 0.81 -0.46 0.02 0.00 0.02 0.00 0.00 35.03 35.43 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 -2.19 1.57 -0.08 0.00 -0.21 -0.43 -4.95 119.66 113.37 1xhh s GLN 62 Ca 0.17 -1.89 -0.00 0.00 0.02 0.00 0.00 55.36 53.66 1xhh s GLN 62 Cb -0.05 0.05 -0.03 0.00 1.00 0.00 0.00 33.01 33.98 1xhh s GLN 62 CO 0.13 -0.48 -0.05 -1.59 -2.12 0.00 0.00 175.29 171.18 1xhh s LYS 63 N -3.80 2.84 -0.01 2.91 -2.85 -1.26 -2.06 119.74 115.51 1xhh s LYS 63 Ca 0.37 -0.50 0.01 0.00 -1.00 0.00 0.00 55.97 54.85 1xhh s LYS 63 Cb 0.05 -2.66 0.01 0.00 -2.06 0.00 0.00 37.83 33.16 1xhh s LYS 63 CO 0.19 0.67 -0.02 -1.50 0.10 0.00 0.00 175.35 174.78 1xhh s ILE 64 N -0.81 0.22 -0.40 3.79 1.10 1.00 -4.95 121.20 121.16 1xhh s ILE 64 Ca 0.12 -0.07 -0.15 0.00 -0.51 0.00 0.00 60.65 60.04 1xhh s ILE 64 Cb -0.11 -0.22 0.01 0.00 0.15 0.00 0.00 42.46 42.29 1xhh s ILE 64 CO 0.02 0.09 0.32 -0.22 -2.11 0.00 0.00 174.94 173.03 1xhh s LEU 65 N 0.21 4.95 0.04 8.50 0.20 -1.26 -0.42 118.68 130.90 1xhh s LEU 65 Ca -0.02 -0.76 -0.30 0.00 0.69 0.00 0.00 54.13 53.75 1xhh s LEU 65 Cb -0.04 -2.20 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 1xhh s LEU 65 CO -0.01 -0.43 1.00 0.21 -0.29 0.00 0.00 176.35 176.83 1xhh s ASN 66 N 1.71 7.37 -0.08 3.68 2.47 0.55 -4.88 114.94 125.76 1xhh s ASN 66 Ca 0.07 1.74 0.06 0.00 0.42 0.00 0.00 52.86 55.15 1xhh s ASN 66 Cb -0.18 -2.58 -0.24 0.00 -1.45 0.00 0.00 41.25 36.80 1xhh s ASN 66 CO 0.11 -0.23 0.51 2.29 -3.72 0.00 0.00 177.10 176.06 1xhh n LYS 67 N 3.58 0.68 0.19 0.43 0.00 -1.26 -0.99 118.16 120.80 1xhh n LYS 67 Ca 0.05 0.27 0.18 0.00 -0.00 0.00 0.00 58.31 58.81 1xhh n LYS 67 Cb 0.50 -1.75 0.81 0.00 -0.00 0.00 0.00 35.03 34.60 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 0.02 0.00 0.00 -1.58 6.56 -1.98 -1.88 116.57 117.72 1xhh h LYS 68 Ca -0.35 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 1xhh h LYS 68 Cb 2.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.69 1xhh h LYS 68 CO 0.08 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.72 1xhh n THR 69 N -3.55 0.26 -3.66 -0.16 -2.24 -1.25 -5.04 114.28 98.64 1xhh n THR 69 Ca 0.03 -0.38 -0.24 0.00 -2.27 0.00 0.00 64.05 61.19 1xhh n THR 69 Cb 0.44 1.10 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 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 -3.16 0.00 -0.09 0.00 -1.32 -0.38 -4.98 115.64 105.72 1xhh s THR 71 Ca 0.16 -1.47 -0.00 0.00 -1.21 0.00 0.00 61.69 59.17 1xhh s THR 71 Cb -0.07 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.47 1xhh s THR 71 CO 0.87 0.00 -0.07 -0.31 -2.21 0.00 0.00 174.62 172.91 1xhh s TYR 72 N -3.55 2.95 0.02 9.09 2.02 -1.26 -0.33 117.35 126.29 1xhh s TYR 72 Ca 0.25 -0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.85 1xhh s TYR 72 Cb -0.01 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 1xhh s TYR 72 CO 0.13 0.22 0.01 0.95 -1.57 0.00 0.00 175.55 175.30 1xhh s THR 73 N -0.49 0.12 -0.24 -0.71 -4.23 0.44 -4.94 115.64 105.59 1xhh s THR 73 Ca 0.07 -1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 59.50 1xhh s THR 73 Cb -0.12 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.16 1xhh s THR 73 CO 0.02 -0.57 0.00 -0.69 -0.54 0.00 0.00 174.62 172.85 1xhh s VAL 74 N -1.95 3.69 0.38 2.29 1.01 -1.26 -0.00 120.40 124.56 1xhh s VAL 74 Ca -0.11 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1xhh s VAL 74 Cb -0.06 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1xhh s VAL 74 CO -0.02 0.34 0.26 0.68 0.00 0.00 0.00 175.10 176.36 1xhh s VAL 75 N 1.51 2.80 -0.07 2.92 -7.23 -0.88 -1.52 120.40 117.94 1xhh s VAL 75 Ca 0.05 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1xhh s VAL 75 Cb -0.15 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.74 1xhh s VAL 75 CO -0.01 -0.07 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.05 1xhh s GLU 76 N -3.99 2.77 0.05 4.82 2.02 -1.19 -1.32 118.70 121.87 1xhh s GLU 76 Ca 0.43 -0.54 -0.24 0.00 0.02 0.00 0.00 54.97 54.65 1xhh s GLU 76 Cb -0.02 -2.62 -0.16 0.00 0.10 0.00 0.00 34.13 31.43 1xhh s GLU 76 CO 0.25 0.67 1.55 0.87 0.02 0.00 0.00 175.26 178.62 1xhh h LYS 77 N 5.17 0.05 0.00 1.61 1.57 -1.93 -0.87 116.57 122.17 1xhh h LYS 77 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1xhh h LYS 77 Cb 1.18 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1xhh h LYS 77 CO 0.53 0.23 0.00 1.63 -0.57 0.00 0.00 179.45 181.27 1xhh n LYS 78 N -4.96 0.76 -2.74 3.15 4.76 -1.26 -4.20 118.16 113.66 1xhh n LYS 78 Ca -0.07 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.32 1xhh n LYS 78 Cb 0.13 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 31.86 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1xhh n ASP 79 N -0.98 -3.04 0.00 4.39 -0.08 -0.78 -4.98 116.55 111.08 1xhh n ASP 79 Ca 0.17 -2.75 0.01 0.00 -1.51 0.00 0.00 54.79 50.71 1xhh n ASP 79 Cb 0.08 1.63 0.07 0.00 2.34 0.00 0.00 41.12 45.23 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 2.55 0.18 -0.06 -0.67 -0.05 -0.40 -1.73 135.00 134.83 1xhh n PRO 80 Ca 0.15 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.55 1xhh n PRO 80 Cb 0.59 -1.20 -0.12 0.00 -0.05 0.00 0.00 33.50 32.73 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 -0.44 -0.73 3.69 0.55 0.00 -1.26 -4.77 105.19 102.24 1xhh n GLY 81 Ca 0.02 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.50 4.23 0.36 1.61 1.02 -0.70 -5.03 119.74 118.73 1xhh s LYS 82 Ca -0.07 0.25 -0.25 0.00 0.02 0.00 0.00 55.97 55.92 1xhh s LYS 82 Cb 0.05 -3.49 -0.10 0.00 -0.52 0.00 0.00 37.83 33.78 1xhh s LYS 82 CO 0.62 0.06 1.00 0.95 -0.92 0.00 0.00 175.35 177.05 1xhh s THR 83 N 0.99 3.98 0.49 2.17 -4.23 -1.26 -3.25 115.64 114.53 1xhh s THR 83 Ca 0.20 1.56 -0.08 0.00 -1.18 0.00 0.00 61.69 62.19 1xhh s THR 83 Cb -0.14 -3.83 0.11 0.00 1.34 0.00 0.00 72.50 69.98 1xhh s THR 83 CO 0.08 0.05 0.65 0.00 -0.54 0.00 0.00 174.62 174.86 1xhh s ASP 85 N -3.38 7.21 0.29 0.00 1.11 -1.26 -4.92 116.67 115.72 1xhh s ASP 85 Ca 0.37 2.26 0.03 0.00 0.18 0.00 0.00 52.55 55.40 1xhh s ASP 85 Cb -0.01 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.30 1xhh s ASP 85 CO 0.26 -0.21 0.05 -0.69 1.18 0.00 0.00 175.17 175.76 1xhh s VAL 86 N -0.85 1.04 0.00 -1.27 1.01 -1.26 -4.39 120.40 114.67 1xhh s VAL 86 Ca 0.47 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1xhh s VAL 86 Cb -0.32 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1xhh s VAL 86 CO 0.40 -0.08 0.00 0.41 0.00 0.00 0.00 175.10 175.83 1xhh n THR 87 N -0.58 0.00 0.00 3.92 -1.04 -1.26 -4.97 114.28 110.36 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 -0.08 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 1.35 1.88 3.78 3.41 0.00 -1.25 -5.05 105.19 109.31 1xhh n GLY 88 Ca 0.00 -0.81 -0.24 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 2.62 -0.03 1.61 0.51 -1.26 -1.29 118.94 119.10 1xhh s TRP 89 Ca 0.00 -0.56 0.01 0.00 -2.12 0.00 0.00 56.10 53.42 1xhh s TRP 89 Cb 0.00 -2.02 0.02 0.00 -0.81 0.00 0.00 33.47 30.65 1xhh s TRP 89 CO 0.00 0.08 -0.02 0.08 -0.51 0.00 0.00 176.95 176.58 1xhh s VAL 90 N -2.57 0.32 -2.00 4.03 1.01 -0.77 -4.85 120.40 115.58 1xhh s VAL 90 Ca 0.43 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.41 1xhh s VAL 90 Cb 0.02 -0.37 0.11 0.00 0.00 0.00 0.00 36.38 36.14 1xhh s VAL 90 CO 0.24 0.16 0.72 -0.11 0.00 0.00 0.00 175.10 176.11