#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 -3.42 0.10 -0.14 0.00 1.13 -1.08 -5.02 117.35 108.92 1xhh s TYR 3 Ca 0.62 -0.48 -0.03 0.00 -1.41 0.00 0.00 57.07 55.77 1xhh s TYR 3 Cb -0.10 0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.79 1xhh s TYR 3 CO 0.47 -0.65 -0.05 -0.06 -2.51 0.00 0.00 175.55 172.75 1xhh s PHE 4 N -3.87 3.00 -0.39 -3.49 0.40 -1.26 -2.47 117.98 109.89 1xhh s PHE 4 Ca 0.08 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1xhh s PHE 4 Cb 0.03 -1.92 0.09 0.00 0.51 0.00 0.00 43.02 41.74 1xhh s PHE 4 CO -0.08 -0.01 0.17 0.42 0.70 0.00 0.00 175.22 176.42 1xhh s ILE 5 N 0.22 3.35 0.21 0.64 1.01 0.14 -4.96 121.20 121.80 1xhh s ILE 5 Ca -0.03 -1.83 -0.31 0.00 0.00 0.00 0.00 60.65 58.47 1xhh s ILE 5 Cb -0.14 -3.19 -0.11 0.00 0.01 0.00 0.00 42.46 39.03 1xhh s ILE 5 CO 0.03 -0.55 1.62 -2.84 0.00 0.00 0.00 174.94 173.20 1xhh s PRO 6 N 1.20 4.17 0.46 2.79 0.02 -1.26 -1.82 135.00 140.56 1xhh s PRO 6 Ca 0.05 2.48 -0.21 0.00 0.02 0.00 0.00 61.00 63.34 1xhh s PRO 6 Cb -0.22 -3.10 -0.12 0.00 0.02 0.00 0.00 34.50 31.07 1xhh s PRO 6 CO -0.03 -0.65 0.44 -1.71 -0.33 0.00 0.00 177.00 174.72 1xhh n ASN 7 N 3.58 -1.35 0.00 2.53 2.85 -1.26 -4.87 115.26 116.74 1xhh n ASN 7 Ca 0.13 0.84 0.00 0.00 -0.11 0.00 0.00 54.58 55.44 1xhh n ASN 7 Cb 0.37 -1.08 0.00 0.00 1.24 0.00 0.00 39.78 40.31 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 0.61 0.00 -2.20 1.20 0.00 -1.26 -5.08 117.38 110.65 1xhh n GLN 8 Ca 0.11 -0.42 -0.32 0.00 0.00 0.00 0.00 57.00 56.37 1xhh n GLN 8 Cb 0.42 -0.47 -0.01 0.00 0.00 0.00 0.00 30.24 30.17 1xhh n GLN 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1xhh s SER 9 N 0.00 6.22 0.00 2.61 1.04 -1.26 -4.92 113.70 117.38 1xhh s SER 9 Ca 0.00 1.67 0.13 0.00 0.48 0.00 0.00 55.95 58.23 1xhh s SER 9 Cb 0.00 -2.52 0.58 0.00 0.10 0.00 0.00 66.02 64.19 1xhh s SER 9 CO 0.00 -0.87 1.40 0.18 0.98 0.00 0.00 173.24 174.93 1xhh n LEU 10 N -1.86 0.69 -4.12 2.42 4.77 -1.26 -4.58 117.00 113.06 1xhh n LEU 10 Ca 0.07 -0.32 -0.36 0.00 -0.03 0.00 0.00 56.01 55.38 1xhh n LEU 10 Cb 0.53 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 1xhh n LEU 10 CO 0.47 0.16 -0.15 -0.54 -1.33 0.00 0.00 177.39 176.00 1xhh s LYS 11 N -1.87 2.04 0.00 3.23 3.01 -1.26 -4.96 119.74 119.92 1xhh s LYS 11 Ca 0.20 -1.85 0.00 0.00 -1.01 0.00 0.00 55.97 53.31 1xhh s LYS 11 Cb 0.10 -3.60 0.00 0.00 -1.01 0.00 0.00 37.83 33.32 1xhh s LYS 11 CO 0.16 -1.08 0.26 -2.30 0.51 0.00 0.00 175.35 172.89 1xhh n PRO 12 N 4.55 0.16 -2.51 -1.68 -0.02 -1.26 -2.45 135.00 131.79 1xhh n PRO 12 Ca -0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.44 1xhh n PRO 12 Cb 0.41 -1.42 0.10 0.00 -0.02 0.00 0.00 33.50 32.57 1xhh n PRO 12 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xhh n ASN 13 N 1.55 -1.06 -3.49 2.55 3.02 -1.26 -5.10 115.26 111.47 1xhh n ASN 13 Ca 0.00 -2.17 -0.13 0.00 -0.03 0.00 0.00 54.58 52.25 1xhh n ASN 13 Cb 0.08 0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.31 1.78 -0.48 3.52 2.02 -1.03 -3.33 118.70 120.87 1xhh s GLU 14 Ca 0.10 -1.62 0.03 0.00 0.02 0.00 0.00 54.97 53.51 1xhh s GLU 14 Cb 0.39 0.44 0.16 0.00 0.10 0.00 0.00 34.13 35.22 1xhh s GLU 14 CO -0.11 -0.73 0.34 0.00 0.02 0.00 0.00 175.26 174.78 1xhh s GLN 16 N -0.12 3.28 0.00 0.00 -0.44 -1.26 -2.19 119.66 118.93 1xhh s GLN 16 Ca 0.27 -0.49 -0.05 0.00 -2.50 0.00 0.00 55.36 52.59 1xhh s GLN 16 Cb -0.06 -2.96 -0.00 0.00 -1.64 0.00 0.00 33.01 28.35 1xhh s GLN 16 CO -0.13 0.61 0.08 -0.51 0.50 0.00 0.00 175.29 175.84 1xhh s ASP 17 N -2.37 0.08 0.56 6.67 1.01 -1.24 -4.68 116.67 116.70 1xhh s ASP 17 Ca 0.32 -0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.32 1xhh s ASP 17 Cb -0.13 0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.98 1xhh s ASP 17 CO 0.25 -0.32 0.00 0.18 0.21 0.00 0.00 175.17 175.49 1xhh n LEU 18 N 1.64 0.00 -0.28 1.23 4.77 -1.26 -2.20 117.00 120.90 1xhh n LEU 18 Ca -0.22 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.78 1xhh n LEU 18 Cb 0.56 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.71 1xhh n LEU 18 CO 0.21 0.00 0.51 0.29 -1.33 0.00 0.00 177.39 177.07 1xhh n LYS 19 N 1.09 2.21 0.00 3.23 4.76 -1.26 -4.65 118.16 123.54 1xhh n LYS 19 Ca 0.00 -1.54 0.00 0.00 -2.87 0.00 0.00 58.31 53.90 1xhh n LYS 19 Cb 0.00 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1xhh n LYS 19 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xhh n GLY 20 N 0.04 0.00 3.81 0.72 0.00 -1.24 -4.74 105.19 103.79 1xhh n GLY 20 Ca 0.05 0.00 -0.33 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 -1.86 3.87 -0.30 1.61 1.01 -0.94 -4.99 120.40 118.80 1xhh s VAL 21 Ca 0.00 0.90 -0.14 0.00 0.00 0.00 0.00 61.98 62.74 1xhh s VAL 21 Cb 0.00 -3.41 0.18 0.00 0.00 0.00 0.00 36.38 33.14 1xhh s VAL 21 CO 0.00 -0.51 1.11 -0.94 0.00 0.00 0.00 175.10 174.76 1xhh s SER 22 N -2.77 -0.31 -0.05 3.32 1.04 -1.26 -3.67 113.70 110.00 1xhh s SER 22 Ca 0.63 0.13 -0.15 0.00 0.48 0.00 0.00 55.95 57.04 1xhh s SER 22 Cb -0.16 1.23 0.03 0.00 0.10 0.00 0.00 66.02 67.23 1xhh s SER 22 CO 0.36 -0.06 0.34 -1.00 0.98 0.00 0.00 173.24 173.86 1xhh s HIS 23 N 2.97 -0.26 0.74 5.02 3.76 -0.93 -4.99 115.29 121.60 1xhh s HIS 23 Ca 0.08 0.51 -0.15 0.00 -0.15 0.00 0.00 55.06 55.34 1xhh s HIS 23 Cb -0.06 0.12 0.01 0.00 1.11 0.00 0.00 32.58 33.75 1xhh s HIS 23 CO -0.14 -0.34 0.87 -0.35 -0.85 0.00 0.00 174.74 173.92 1xhh n PRO 24 N 1.72 0.38 0.00 8.40 -0.04 -1.26 0.12 135.00 144.33 1xhh n PRO 24 Ca -0.19 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xhh n PRO 24 Cb 0.56 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.54 0.00 -3.49 1.53 0.00 -1.21 -4.12 117.00 108.18 1xhh n LEU 25 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.85 1xhh n LEU 25 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.94 1xhh n LEU 25 CO 0.49 -0.84 -0.18 0.59 0.00 0.00 0.00 177.39 177.45 1xhh n ASN 26 N -1.57 -5.76 -3.15 1.96 3.02 -1.26 -4.90 115.26 103.60 1xhh n ASN 26 Ca 0.00 -0.33 0.05 0.00 -0.03 0.00 0.00 54.58 54.27 1xhh n ASN 26 Cb 0.00 -2.38 -0.01 0.00 -0.61 0.00 0.00 39.78 36.77 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1xhh s SER 27 N -2.21 -0.67 -0.12 6.41 0.01 -1.26 -5.12 113.70 110.74 1xhh s SER 27 Ca 0.22 0.36 -0.02 0.00 1.31 0.00 0.00 55.95 57.81 1xhh s SER 27 Cb -0.03 1.54 -0.03 0.00 0.21 0.00 0.00 66.02 67.71 1xhh s SER 27 CO 0.86 -0.13 -0.05 0.68 0.41 0.00 0.00 173.24 175.02 1xhh s VAL 28 N 2.93 3.83 0.01 3.43 -7.23 -1.26 -3.67 120.40 118.44 1xhh s VAL 28 Ca 0.07 -0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 59.69 1xhh s VAL 28 Cb -0.10 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 34.23 1xhh s VAL 28 CO -0.15 0.54 0.31 -1.66 -0.31 0.00 0.00 175.10 173.84 1xhh s TRP 29 N -0.15 -0.16 0.06 2.82 -2.14 -1.07 -5.03 118.94 113.27 1xhh s TRP 29 Ca 0.02 0.16 -0.00 0.00 2.66 0.00 0.00 56.10 58.94 1xhh s TRP 29 Cb -0.13 0.10 -0.04 0.00 -3.10 0.00 0.00 33.47 30.30 1xhh s TRP 29 CO 0.03 -0.44 -0.04 -1.59 -2.66 0.00 0.00 176.95 172.24 1xhh s LYS 30 N -1.85 0.65 -0.61 3.25 0.00 -1.26 -2.65 119.74 117.27 1xhh s LYS 30 Ca -0.10 -1.21 0.06 0.00 0.00 0.00 0.00 55.97 54.72 1xhh s LYS 30 Cb -0.03 0.09 0.24 0.00 0.00 0.00 0.00 37.83 38.13 1xhh s LYS 30 CO 0.01 -0.08 0.67 0.25 0.00 0.00 0.00 175.35 176.20 1xhh n THR 31 N 0.16 1.74 0.00 3.79 -2.24 0.20 -4.98 114.28 112.95 1xhh n THR 31 Ca -0.14 -4.96 0.00 0.00 -2.27 0.00 0.00 64.05 56.68 1xhh n THR 31 Cb 0.61 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 1xhh n THR 31 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xhh n LYS 32 N 1.13 0.00 -0.42 -0.78 5.02 -1.26 -0.70 118.16 121.14 1xhh n LYS 32 Ca 0.27 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.64 1xhh n LYS 32 Cb 0.42 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.70 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 2.39 3.92 0.00 4.39 9.92 -1.26 -4.47 116.55 131.44 1xhh n ASP 33 Ca 0.00 -2.41 -0.22 0.00 -0.53 0.00 0.00 54.79 51.63 1xhh n ASP 33 Cb 0.00 -0.45 -0.14 0.00 -0.64 0.00 0.00 41.12 39.89 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 -2.52 1.48 -0.08 0.00 2.12 -1.06 -3.21 118.70 115.43 1xhh s GLU 35 Ca -0.22 -0.69 -0.14 0.00 0.36 0.00 0.00 54.97 54.29 1xhh s GLU 35 Cb 0.06 0.59 0.03 0.00 0.26 0.00 0.00 34.13 35.07 1xhh s GLU 35 CO 0.76 -0.66 0.33 -2.00 -0.54 0.00 0.00 175.26 173.15 1xhh s GLU 36 N -3.80 0.53 -0.27 4.30 -6.30 -1.07 -0.63 118.70 111.46 1xhh s GLU 36 Ca 0.05 0.17 -0.19 0.00 -2.50 0.00 0.00 54.97 52.51 1xhh s GLU 36 Cb -0.03 0.25 0.08 0.00 0.00 0.00 0.00 34.13 34.42 1xhh s GLU 36 CO -0.04 -0.11 0.69 0.00 0.02 0.00 0.00 175.26 175.82 1xhh s THR 38 N 1.26 0.92 -0.36 0.00 -4.23 0.32 -2.61 115.64 110.94 1xhh s THR 38 Ca -0.07 -1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 58.57 1xhh s THR 38 Cb -0.05 -1.55 0.06 0.00 1.34 0.00 0.00 72.50 72.30 1xhh s THR 38 CO -0.14 -0.69 0.13 0.00 -0.54 0.00 0.00 174.62 173.38 1xhh s GLY 40 N 1.60 2.54 0.59 0.00 0.00 0.75 -4.74 107.32 108.07 1xhh s GLY 40 Ca 0.00 0.11 0.29 0.00 0.00 0.00 0.00 44.72 45.13 1xhh s GLY 40 CO 0.00 1.26 1.68 -1.61 0.00 0.00 0.00 173.10 174.43 1xhh h GLN 41 N 6.87 0.00 0.00 2.90 5.75 -2.02 0.29 115.11 128.90 1xhh h GLN 41 Ca -0.39 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 57.99 1xhh h GLN 41 Cb 1.19 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 1xhh h GLN 41 CO 0.76 0.00 -1.93 -0.40 -2.65 0.00 0.00 178.83 174.61 1xhh n ASP 42 N -3.57 0.97 -2.81 -0.69 5.68 -1.26 -5.06 116.55 109.81 1xhh n ASP 42 Ca 0.15 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.36 1xhh n ASP 42 Cb 1.04 1.44 0.03 0.00 -1.14 0.00 0.00 41.12 42.49 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xhh n ALA 43 N -2.31 -1.85 -2.36 2.12 0.00 0.10 -4.57 120.51 111.65 1xhh n ALA 43 Ca -0.13 -1.24 -0.30 0.00 0.00 0.00 0.00 53.44 51.78 1xhh n ALA 43 Cb 0.69 0.97 -0.14 0.00 0.00 0.00 0.00 19.45 20.96 1xhh n ALA 43 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xhh s ILE 44 N -2.10 2.14 -0.02 0.00 1.01 -0.76 0.27 121.20 121.75 1xhh s ILE 44 Ca 0.16 -1.46 0.06 0.00 0.00 0.00 0.00 60.65 59.42 1xhh s ILE 44 Cb -0.05 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1xhh s ILE 44 CO 0.11 0.31 -0.20 -0.55 0.00 0.00 0.00 174.94 174.61 1xhh s SER 45 N -1.40 2.39 -0.14 3.58 0.15 -0.76 0.28 113.70 117.81 1xhh s SER 45 Ca 0.12 -0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.29 1xhh s SER 45 Cb -0.10 -0.29 0.04 0.00 -1.71 0.00 0.00 66.02 63.96 1xhh s SER 45 CO 0.03 0.25 0.36 0.00 1.20 0.00 0.00 173.24 175.08 1xhh s ASN 48 N -3.49 1.53 0.00 0.00 2.20 -1.26 -2.61 114.94 111.31 1xhh s ASN 48 Ca 0.29 -0.85 0.00 0.00 -0.94 0.00 0.00 52.86 51.36 1xhh s ASN 48 Cb -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 41.25 39.25 1xhh s ASN 48 CO 0.13 -0.27 0.00 0.35 -2.94 0.00 0.00 177.10 174.37 1xhh n THR 49 N 0.42 0.00 -0.87 0.54 -2.24 -1.20 -4.73 114.28 106.21 1xhh n THR 49 Ca -0.15 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.35 1xhh n THR 49 Cb 0.58 -0.23 0.21 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.25 0.25 1.07 6.98 0.00 -1.24 -4.96 121.76 122.61 1xhh s ALA 50 Ca 0.00 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 1xhh s ALA 50 Cb 0.00 -3.18 0.13 0.00 0.00 0.00 0.00 23.12 20.07 1xhh s ALA 50 CO 0.00 -3.34 0.11 0.00 0.00 0.00 0.00 175.76 172.53 1xhh n ALA 51 N -4.54 -2.50 -3.33 0.00 0.00 -1.26 -4.99 120.51 103.89 1xhh n ALA 51 Ca 0.04 -1.19 -0.21 0.00 0.00 0.00 0.00 53.44 52.08 1xhh n ALA 51 Cb 0.56 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.13 0.75 -0.16 0.00 1.09 -1.15 -4.82 121.20 114.79 1xhh s ILE 52 Ca 0.45 -0.30 -0.31 0.00 -1.10 0.00 0.00 60.65 59.40 1xhh s ILE 52 Cb -0.07 -0.71 -0.08 0.00 -1.06 0.00 0.00 42.46 40.54 1xhh s ILE 52 CO 0.49 0.26 2.11 -2.65 -0.10 0.00 0.00 174.94 175.04 1xhh n PRO 53 N 3.65 2.06 -3.87 2.79 -0.01 -1.26 -2.37 135.00 135.99 1xhh n PRO 53 Ca -0.22 0.65 -0.26 0.00 -0.01 0.00 0.00 63.50 63.67 1xhh n PRO 53 Cb 0.53 -2.97 -0.01 0.00 -0.01 0.00 0.00 33.50 31.04 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 6.63 1.72 -0.34 3.45 -4.23 -0.50 -4.47 115.64 117.90 1xhh s THR 54 Ca 0.98 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1xhh s THR 54 Cb -0.50 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1xhh s THR 54 CO 0.42 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 1xhh n GLY 55 N -1.74 0.30 3.66 3.99 0.00 -1.26 -3.01 105.19 107.14 1xhh n GLY 55 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.90 3.02 -0.01 1.61 5.04 -1.26 -4.47 117.35 120.38 1xhh s TYR 56 Ca 0.00 1.15 -0.01 0.00 -2.44 0.00 0.00 57.07 55.78 1xhh s TYR 56 Cb 0.00 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.88 1xhh s TYR 56 CO 0.00 -1.33 0.02 0.34 -1.34 0.00 0.00 175.55 173.24 1xhh s ASP 57 N 1.72 -0.01 0.00 4.32 2.15 -1.26 -5.03 116.67 118.55 1xhh s ASP 57 Ca 0.52 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.54 1xhh s ASP 57 Cb -0.20 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.45 1xhh s ASP 57 CO 0.13 -0.02 0.00 1.07 -0.17 0.00 0.00 175.17 176.19 1xhh n THR 58 N 3.16 0.00 -0.09 1.71 5.66 -1.26 -4.92 114.28 118.55 1xhh n THR 58 Ca -0.13 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.76 1xhh n THR 58 Cb 0.59 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.33 1xhh n THR 58 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xhh n ASN 59 N 0.00 1.87 -2.53 1.09 3.02 -1.26 -4.94 115.26 112.51 1xhh n ASN 59 Ca 0.00 0.48 -0.04 0.00 -0.03 0.00 0.00 54.58 55.00 1xhh n ASN 59 Cb 0.00 -0.83 0.03 0.00 -0.61 0.00 0.00 39.78 38.37 1xhh n ASN 59 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1xhh n LYS 60 N -4.51 0.49 -2.20 3.52 2.85 -1.26 -5.16 118.16 111.89 1xhh n LYS 60 Ca -0.16 -0.91 -0.27 0.00 -1.05 0.00 0.00 58.31 55.91 1xhh n LYS 60 Cb 0.45 0.02 0.15 0.00 -0.65 0.00 0.00 35.03 35.01 1xhh n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xhh s GLN 62 N -5.59 1.43 -0.07 0.00 0.74 -0.12 -4.94 119.66 111.12 1xhh s GLN 62 Ca 0.71 -1.76 0.01 0.00 0.05 0.00 0.00 55.36 54.37 1xhh s GLN 62 Cb -0.04 -0.54 -0.03 0.00 1.10 0.00 0.00 33.01 33.49 1xhh s GLN 62 CO 0.50 -0.19 -0.09 -1.59 -0.55 0.00 0.00 175.29 173.36 1xhh s LYS 63 N -3.93 2.75 0.20 1.67 -2.85 -1.26 -1.85 119.74 114.47 1xhh s LYS 63 Ca 0.34 -0.60 0.05 0.00 -1.00 0.00 0.00 55.97 54.76 1xhh s LYS 63 Cb 0.07 -2.54 -0.05 0.00 -2.06 0.00 0.00 37.83 33.25 1xhh s LYS 63 CO 0.12 0.60 -0.07 -1.50 0.10 0.00 0.00 175.35 174.60 1xhh s ILE 64 N -0.66 1.29 -0.22 3.79 2.07 0.45 -4.95 121.20 122.98 1xhh s ILE 64 Ca 0.10 -2.09 -0.02 0.00 -1.41 0.00 0.00 60.65 57.23 1xhh s ILE 64 Cb -0.11 -2.13 0.01 0.00 0.13 0.00 0.00 42.46 40.36 1xhh s ILE 64 CO 0.01 -0.52 -0.09 -0.22 -1.91 0.00 0.00 174.94 172.22 1xhh s LEU 65 N -3.28 2.78 -0.02 8.50 0.20 -1.26 -1.03 118.68 124.56 1xhh s LEU 65 Ca 0.23 -0.60 -0.26 0.00 0.69 0.00 0.00 54.13 54.19 1xhh s LEU 65 Cb 0.03 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 1xhh s LEU 65 CO 0.06 -0.05 0.80 0.21 -0.29 0.00 0.00 176.35 177.08 1xhh s ASN 66 N 1.38 7.16 0.00 3.68 3.84 0.62 -4.93 114.94 126.69 1xhh s ASN 66 Ca 0.04 1.39 0.26 0.00 0.21 0.00 0.00 52.86 54.76 1xhh s ASN 66 Cb -0.15 -2.47 0.65 0.00 -0.55 0.00 0.00 41.25 38.74 1xhh s ASN 66 CO -0.06 -0.12 1.51 2.29 -2.79 0.00 0.00 177.10 177.93 1xhh n LYS 67 N 3.56 1.65 0.28 0.43 -0.00 -1.26 -1.58 118.16 121.24 1xhh n LYS 67 Ca 0.01 -1.14 -0.16 0.00 -0.00 0.00 0.00 58.31 57.01 1xhh n LYS 67 Cb 0.51 -1.48 -0.08 0.00 -0.00 0.00 0.00 35.03 33.98 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 2.79 -0.71 -0.06 -1.58 3.64 -1.95 -3.33 116.57 115.37 1xhh h LYS 68 Ca 0.00 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 1xhh h LYS 68 Cb 0.66 0.16 -0.24 0.00 -0.41 0.00 0.00 32.23 32.41 1xhh h LYS 68 CO 0.00 -0.47 -0.82 0.25 -2.27 0.00 0.00 179.45 176.14 1xhh n THR 69 N -5.43 1.07 -3.07 1.00 -2.24 -1.26 -5.02 114.28 99.33 1xhh n THR 69 Ca -0.11 -2.16 -0.15 0.00 -2.27 0.00 0.00 64.05 59.36 1xhh n THR 69 Cb 0.32 0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.42 0.00 0.01 0.00 -4.23 -0.61 -4.94 115.64 103.45 1xhh s THR 71 Ca 0.24 -1.85 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1xhh s THR 71 Cb -0.05 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 1xhh s THR 71 CO 0.80 0.00 -0.23 -0.31 -0.54 0.00 0.00 174.62 174.34 1xhh s TYR 72 N -3.73 2.03 0.23 3.99 1.51 -1.26 -0.28 117.35 119.85 1xhh s TYR 72 Ca 0.36 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1xhh s TYR 72 Cb 0.03 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.57 1xhh s TYR 72 CO 0.18 0.03 0.11 0.95 -1.11 0.00 0.00 175.55 175.71 1xhh s THR 73 N -0.66 0.30 -0.11 -0.71 -4.23 -0.20 -4.90 115.64 105.13 1xhh s THR 73 Ca 0.09 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1xhh s THR 73 Cb -0.09 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.20 1xhh s THR 73 CO 0.00 0.00 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.31 1xhh s VAL 74 N -3.93 1.12 0.38 2.29 1.01 -1.26 -0.41 120.40 119.60 1xhh s VAL 74 Ca 0.38 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1xhh s VAL 74 Cb 0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1xhh s VAL 74 CO 0.13 0.38 0.27 0.68 0.00 0.00 0.00 175.10 176.56 1xhh s VAL 75 N 1.60 2.82 0.00 2.92 -7.23 -0.77 0.32 120.40 120.06 1xhh s VAL 75 Ca 0.04 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1xhh s VAL 75 Cb -0.13 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1xhh s VAL 75 CO -0.08 -0.07 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.91 1xhh s GLU 76 N -3.99 2.67 0.51 4.82 2.12 -1.24 -0.94 118.70 122.64 1xhh s GLU 76 Ca 0.43 -0.67 0.32 0.00 0.36 0.00 0.00 54.97 55.41 1xhh s GLU 76 Cb -0.02 -2.59 1.33 0.00 0.26 0.00 0.00 34.13 33.11 1xhh s GLU 76 CO 0.25 0.61 1.95 0.87 -0.54 0.00 0.00 175.26 178.40 1xhh h LYS 77 N 4.39 0.00 -0.34 4.30 1.79 -1.93 -2.63 116.57 122.16 1xhh h LYS 77 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 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 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.56 1xhh n LYS 78 N -2.95 2.76 -2.74 3.15 4.76 -1.26 -4.76 118.16 117.12 1xhh n LYS 78 Ca 0.01 -2.02 -0.07 0.00 -2.87 0.00 0.00 58.31 53.36 1xhh n LYS 78 Cb 0.29 -1.27 0.05 0.00 -1.84 0.00 0.00 35.03 32.26 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 0.54 -2.64 0.09 4.39 -0.08 -1.00 -4.98 116.55 112.87 1xhh n ASP 79 Ca 0.12 -3.02 0.08 0.00 -1.51 0.00 0.00 54.79 50.45 1xhh n ASP 79 Cb 0.42 1.64 0.37 0.00 2.34 0.00 0.00 41.12 45.89 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 1.67 0.09 -0.26 -0.67 -0.05 -1.17 -1.38 135.00 133.24 1xhh n PRO 80 Ca 0.08 0.52 0.08 0.00 -0.05 0.00 0.00 63.50 64.13 1xhh n PRO 80 Cb 0.64 -1.76 0.21 0.00 -0.05 0.00 0.00 33.50 32.54 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 -1.00 1.28 2.90 0.55 0.00 -1.26 -4.85 105.19 102.81 1xhh n GLY 81 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.39 0.15 0.41 1.61 -0.14 -0.48 -5.14 119.74 114.76 1xhh s LYS 82 Ca 0.32 -0.07 -0.15 0.00 -1.36 0.00 0.00 55.97 54.71 1xhh s LYS 82 Cb 0.17 -0.14 -0.08 0.00 -1.68 0.00 0.00 37.83 36.10 1xhh s LYS 82 CO 0.21 0.04 0.83 0.95 -0.76 0.00 0.00 175.35 176.62 1xhh s THR 83 N -0.06 4.63 0.00 2.17 -4.23 -1.26 -3.74 115.64 113.15 1xhh s THR 83 Ca 0.01 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1xhh s THR 83 Cb -0.01 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1xhh s THR 83 CO -0.00 -0.42 0.00 0.00 -0.54 0.00 0.00 174.62 173.66 1xhh s ASP 85 N -1.00 6.43 0.27 0.00 2.15 -1.26 -4.89 116.67 118.37 1xhh s ASP 85 Ca 0.00 0.61 0.04 0.00 0.43 0.00 0.00 52.55 53.63 1xhh s ASP 85 Cb 0.00 -2.10 -0.06 0.00 -0.30 0.00 0.00 42.92 40.46 1xhh s ASP 85 CO 0.00 -0.13 0.02 -0.69 -0.17 0.00 0.00 175.17 174.20 1xhh s VAL 86 N -1.99 1.09 0.00 1.11 1.01 -1.26 -4.77 120.40 115.59 1xhh s VAL 86 Ca 0.42 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1xhh s VAL 86 Cb -0.11 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1xhh s VAL 86 CO 0.29 -0.20 0.00 0.41 0.00 0.00 0.00 175.10 175.60 1xhh n THR 87 N -0.52 0.00 -3.53 3.92 -1.04 -1.26 -4.95 114.28 106.91 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 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 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 2.39 1.15 3.33 3.41 0.00 -1.16 -5.01 105.19 109.30 1xhh n GLY 88 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 -5.28 0.70 -0.18 1.61 0.51 -1.26 -1.42 118.94 113.63 1xhh s TRP 89 Ca 0.02 -1.02 -0.02 0.00 -2.12 0.00 0.00 56.10 52.96 1xhh s TRP 89 Cb -0.00 -0.21 0.05 0.00 -0.81 0.00 0.00 33.47 32.50 1xhh s TRP 89 CO 0.00 -0.74 0.00 0.54 -0.51 0.00 0.00 176.95 176.25 1xhh s VAL 90 N -4.05 0.73 -2.28 4.03 0.11 -1.00 -4.80 120.40 113.13 1xhh s VAL 90 Ca 0.27 -0.55 0.30 0.00 -2.93 0.00 0.00 61.98 59.06 1xhh s VAL 90 Cb 0.04 -1.10 0.71 0.00 -1.53 0.00 0.00 36.38 34.50 1xhh s VAL 90 CO 0.07 -0.07 1.96 -0.11 -3.33 0.00 0.00 175.10 173.62