#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 -3.45 1.02 -0.11 0.00 5.04 -0.78 -4.98 117.35 114.09 1xhh s TYR 3 Ca 0.21 -0.21 -0.01 0.00 -2.44 0.00 0.00 57.07 54.62 1xhh s TYR 3 Cb -0.02 -0.65 -0.03 0.00 0.35 0.00 0.00 41.96 41.61 1xhh s TYR 3 CO 0.12 -0.01 -0.05 -0.06 -1.34 0.00 0.00 175.55 174.20 1xhh s PHE 4 N -0.32 2.99 -0.16 4.97 0.08 -1.26 -1.46 117.98 122.82 1xhh s PHE 4 Ca 0.04 -0.13 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 1xhh s PHE 4 Cb -0.05 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1xhh s PHE 4 CO -0.00 0.17 -0.02 0.42 -0.10 0.00 0.00 175.22 175.69 1xhh s ILE 5 N -0.29 0.81 0.35 0.64 1.01 0.24 -4.99 121.20 118.96 1xhh s ILE 5 Ca 0.04 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 1xhh s ILE 5 Cb -0.13 -1.08 -0.11 0.00 0.01 0.00 0.00 42.46 41.16 1xhh s ILE 5 CO 0.02 0.05 1.48 -2.84 0.00 0.00 0.00 174.94 173.66 1xhh s PRO 6 N 1.76 4.15 0.09 2.79 0.02 -1.26 -0.10 135.00 142.44 1xhh s PRO 6 Ca 0.01 2.52 -0.31 0.00 0.02 0.00 0.00 61.00 63.24 1xhh s PRO 6 Cb -0.15 -3.00 -0.10 0.00 0.02 0.00 0.00 34.50 31.27 1xhh s PRO 6 CO -0.07 -0.51 1.85 1.21 -0.33 0.00 0.00 177.00 179.15 1xhh s ASN 7 N -0.04 6.45 -0.18 2.53 2.47 -1.21 -4.73 114.94 120.23 1xhh s ASN 7 Ca 0.55 2.70 0.18 0.00 0.42 0.00 0.00 52.86 56.70 1xhh s ASN 7 Cb -0.46 -2.55 -0.25 0.00 -1.45 0.00 0.00 41.25 36.54 1xhh s ASN 7 CO 0.58 -1.01 0.10 0.00 -3.72 0.00 0.00 177.10 173.05 1xhh n GLN 8 N 6.24 0.74 -3.65 0.43 0.00 -1.26 -4.92 117.38 114.96 1xhh n GLN 8 Ca 0.18 -0.02 -0.37 0.00 0.00 0.00 0.00 57.00 56.79 1xhh n GLN 8 Cb 0.39 -1.51 -0.07 0.00 0.00 0.00 0.00 30.24 29.06 1xhh n GLN 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1xhh s SER 9 N -5.38 6.49 0.00 2.61 0.01 -1.26 -5.03 113.70 111.15 1xhh s SER 9 Ca -0.10 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1xhh s SER 9 Cb 0.06 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1xhh s SER 9 CO 0.82 0.26 0.00 0.18 0.41 0.00 0.00 173.24 174.91 1xhh n LEU 10 N 2.64 0.64 -1.42 2.44 4.77 -1.26 -4.85 117.00 119.96 1xhh n LEU 10 Ca -0.15 0.13 0.07 0.00 -0.03 0.00 0.00 56.01 56.03 1xhh n LEU 10 Cb 0.53 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1xhh n LEU 10 CO 0.36 -0.28 -0.48 0.29 -1.33 0.00 0.00 177.39 175.96 1xhh n LYS 11 N -1.71 -3.18 0.10 3.23 4.01 -1.26 -4.17 118.16 115.18 1xhh n LYS 11 Ca 0.00 2.53 0.18 0.00 -0.51 0.00 0.00 58.31 60.51 1xhh n LYS 11 Cb 0.00 -3.45 0.74 0.00 -0.51 0.00 0.00 35.03 31.81 1xhh n LYS 11 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1xhh h PRO 12 N -0.59 0.00 0.00 1.97 0.13 -2.06 -3.39 132.00 128.06 1xhh h PRO 12 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1xhh h PRO 12 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1xhh h PRO 12 CO 0.03 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.07 1xhh n ASN 13 N -4.11 0.00 -4.14 1.44 2.04 -1.26 -5.09 115.26 104.14 1xhh n ASN 13 Ca 0.06 0.00 -0.21 0.00 -0.44 0.00 0.00 54.58 53.99 1xhh n ASN 13 Cb 0.47 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.63 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1xhh s GLU 14 N 0.00 1.67 -0.34 -3.83 2.02 -1.26 -1.47 118.70 115.50 1xhh s GLU 14 Ca 0.00 -1.97 -0.01 0.00 0.02 0.00 0.00 54.97 53.02 1xhh s GLU 14 Cb 0.00 -0.38 0.12 0.00 0.10 0.00 0.00 34.13 33.97 1xhh s GLU 14 CO 0.00 -0.40 0.16 0.00 0.02 0.00 0.00 175.26 175.04 1xhh s GLN 16 N 1.40 3.23 -0.03 0.00 1.11 -1.26 -2.28 119.66 121.83 1xhh s GLN 16 Ca 0.13 -0.41 -0.15 0.00 0.01 0.00 0.00 55.36 54.93 1xhh s GLN 16 Cb -0.19 -2.96 0.03 0.00 -1.01 0.00 0.00 33.01 28.87 1xhh s GLN 16 CO -0.18 0.66 0.33 0.34 0.01 0.00 0.00 175.29 176.45 1xhh s ASP 17 N -1.82 -0.23 0.40 5.90 2.15 -1.05 -4.76 116.67 117.27 1xhh s ASP 17 Ca 0.25 0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.40 1xhh s ASP 17 Cb -0.12 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 1xhh s ASP 17 CO 0.16 -0.43 0.00 0.18 -0.17 0.00 0.00 175.17 174.91 1xhh n LEU 18 N 1.40 0.00 -0.28 -1.34 4.77 -1.26 -2.13 117.00 118.16 1xhh n LEU 18 Ca -0.21 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.80 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 1.17 -1.33 0.00 0.00 177.39 177.95 1xhh n LYS 19 N 3.27 2.18 -0.17 3.23 3.00 -1.26 -4.60 118.16 123.80 1xhh n LYS 19 Ca 0.00 -1.53 0.01 0.00 -0.00 0.00 0.00 58.31 56.79 1xhh n LYS 19 Cb 0.00 -1.12 0.02 0.00 0.00 0.00 0.00 35.03 33.93 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 0.05 0.25 3.40 3.14 0.00 -1.23 -4.68 105.19 106.12 1xhh n GLY 20 Ca 0.05 -0.16 -0.32 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 -0.58 2.84 -0.30 1.61 1.01 -0.91 -5.01 120.40 119.06 1xhh s VAL 21 Ca 0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1xhh s VAL 21 Cb 0.04 -2.12 0.18 0.00 0.00 0.00 0.00 36.38 34.48 1xhh s VAL 21 CO 0.00 0.57 1.01 -0.94 0.00 0.00 0.00 175.10 175.74 1xhh s SER 22 N -0.31 -0.53 0.02 3.32 1.04 -1.25 -2.53 113.70 113.46 1xhh s SER 22 Ca 0.02 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.60 1xhh s SER 22 Cb -0.13 1.42 0.01 0.00 0.10 0.00 0.00 66.02 67.43 1xhh s SER 22 CO 0.03 -0.10 0.25 -1.00 0.98 0.00 0.00 173.24 173.39 1xhh s HIS 23 N 2.95 -0.05 0.44 5.02 3.76 -0.97 -4.97 115.29 121.46 1xhh s HIS 23 Ca 0.06 -0.04 -0.25 0.00 -0.15 0.00 0.00 55.06 54.67 1xhh s HIS 23 Cb -0.09 0.04 -0.09 0.00 1.11 0.00 0.00 32.58 33.55 1xhh s HIS 23 CO -0.14 -0.42 1.35 -0.35 -0.85 0.00 0.00 174.74 174.32 1xhh n PRO 24 N 0.91 2.08 -0.47 8.40 -0.04 -1.26 0.01 135.00 144.63 1xhh n PRO 24 Ca -0.20 0.74 -0.28 0.00 -0.04 0.00 0.00 63.50 63.72 1xhh n PRO 24 Cb 0.58 -2.50 0.27 0.00 -0.04 0.00 0.00 33.50 31.80 1xhh n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xhh s LEU 25 N -2.15 0.43 0.00 1.53 1.43 -0.54 -4.63 118.68 114.75 1xhh s LEU 25 Ca 0.61 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1xhh s LEU 25 Cb -0.48 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1xhh s LEU 25 CO 0.58 -4.49 0.00 -0.46 0.23 0.00 0.00 176.35 172.20 1xhh n ASN 26 N -5.11 0.00 0.00 2.29 2.04 -1.26 -4.96 115.26 108.26 1xhh n ASN 26 Ca 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.17 1xhh n ASN 26 Cb 0.55 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.80 1xhh n ASN 26 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1xhh n SER 27 N 0.00 0.00 -4.80 0.53 7.64 -1.26 -5.10 113.62 110.63 1xhh n SER 27 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1xhh n SER 27 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1xhh n SER 27 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xhh s VAL 28 N -1.57 3.10 -0.14 0.44 0.11 -1.26 -3.85 120.40 117.22 1xhh s VAL 28 Ca 0.00 -1.53 -0.09 0.00 -2.93 0.00 0.00 61.98 57.42 1xhh s VAL 28 Cb 0.00 -3.06 0.05 0.00 -1.53 0.00 0.00 36.38 31.84 1xhh s VAL 28 CO 0.00 -0.14 0.36 -1.66 -3.33 0.00 0.00 175.10 170.32 1xhh s TRP 29 N -2.40 -0.47 -0.15 1.54 -2.14 -0.96 -5.02 118.94 109.34 1xhh s TRP 29 Ca 0.40 1.06 0.01 0.00 2.66 0.00 0.00 56.10 60.24 1xhh s TRP 29 Cb -0.03 0.17 0.02 0.00 -3.10 0.00 0.00 33.47 30.53 1xhh s TRP 29 CO 0.25 -0.27 -0.18 0.21 -2.66 0.00 0.00 176.95 174.30 1xhh s LYS 30 N 0.95 2.69 0.00 3.25 2.20 -1.26 -2.68 119.74 124.89 1xhh s LYS 30 Ca -0.06 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1xhh s LYS 30 Cb -0.07 -2.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 1xhh s LYS 30 CO -0.07 -0.14 0.00 0.25 -0.36 0.00 0.00 175.35 175.03 1xhh n THR 31 N 4.45 0.00 -2.13 3.43 -2.24 -0.77 -4.86 114.28 112.16 1xhh n THR 31 Ca -0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1xhh n THR 31 Cb 0.51 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1xhh n THR 31 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xhh n LYS 32 N -0.93 3.13 -0.78 -0.78 4.81 -1.26 -4.39 118.16 117.96 1xhh n LYS 32 Ca 0.00 -3.04 0.00 0.00 -0.87 0.00 0.00 58.31 54.40 1xhh n LYS 32 Cb 0.00 -3.23 0.00 0.00 0.02 0.00 0.00 35.03 31.82 1xhh n LYS 32 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xhh n ASP 33 N 6.02 -3.86 0.01 3.14 -0.08 -1.26 -4.72 116.55 115.80 1xhh n ASP 33 Ca 0.48 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.60 1xhh n ASP 33 Cb 0.40 -2.97 -0.14 0.00 2.34 0.00 0.00 41.12 40.75 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 -2.59 1.55 -0.15 0.00 2.12 -1.26 -3.85 118.70 114.51 1xhh s GLU 35 Ca -0.12 -0.75 -0.08 0.00 0.36 0.00 0.00 54.97 54.37 1xhh s GLU 35 Cb 0.07 0.59 0.05 0.00 0.26 0.00 0.00 34.13 35.11 1xhh s GLU 35 CO 0.81 -0.70 0.36 -2.00 -0.54 0.00 0.00 175.26 173.20 1xhh s GLU 36 N -3.82 0.35 -0.12 4.30 2.12 -0.54 -1.85 118.70 119.13 1xhh s GLU 36 Ca 0.07 0.70 -0.07 0.00 0.36 0.00 0.00 54.97 56.02 1xhh s GLU 36 Cb -0.04 -0.03 0.05 0.00 0.26 0.00 0.00 34.13 34.37 1xhh s GLU 36 CO -0.02 -0.15 0.29 0.00 -0.54 0.00 0.00 175.26 174.84 1xhh s THR 38 N 1.10 1.68 -0.64 0.00 -4.23 0.44 -2.26 115.64 111.73 1xhh s THR 38 Ca -0.08 -1.45 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 1xhh s THR 38 Cb -0.08 -1.52 0.17 0.00 1.34 0.00 0.00 72.50 72.41 1xhh s THR 38 CO -0.08 -0.00 0.48 0.00 -0.54 0.00 0.00 174.62 174.47 1xhh s GLY 40 N 1.17 2.50 0.00 0.00 0.00 0.61 -4.84 107.32 106.75 1xhh s GLY 40 Ca 0.16 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1xhh s GLY 40 CO -0.04 1.98 0.65 -1.06 0.00 0.00 0.00 173.10 174.63 1xhh n GLN 41 N 3.94 0.00 0.00 2.90 6.02 -1.26 -0.58 117.38 128.40 1xhh n GLN 41 Ca 0.08 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1xhh n GLN 41 Cb 0.47 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1xhh n GLN 41 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xhh n ASP 42 N -1.15 2.86 -3.84 1.08 -0.08 -1.26 -5.06 116.55 109.10 1xhh n ASP 42 Ca 0.00 -0.03 -0.08 0.00 -1.51 0.00 0.00 54.79 53.18 1xhh n ASP 42 Cb 0.11 0.62 -0.03 0.00 2.34 0.00 0.00 41.12 44.16 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 -1.19 -1.09 -0.14 -1.67 0.00 0.25 -3.35 121.76 114.56 1xhh s ALA 43 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1xhh s ALA 43 Cb 0.00 0.89 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1xhh s ALA 43 CO 0.00 -0.97 -0.13 0.42 0.00 0.00 0.00 175.76 175.08 1xhh s ILE 44 N -3.92 1.44 -0.00 0.00 1.01 0.85 0.23 121.20 120.81 1xhh s ILE 44 Ca 0.12 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1xhh s ILE 44 Cb -0.04 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1xhh s ILE 44 CO 0.05 0.44 -0.04 -0.55 0.00 0.00 0.00 174.94 174.84 1xhh s SER 45 N 1.54 4.82 -0.10 3.58 0.15 -1.02 -0.59 113.70 122.08 1xhh s SER 45 Ca 0.05 -0.08 -0.06 0.00 0.70 0.00 0.00 55.95 56.56 1xhh s SER 45 Cb -0.13 -1.19 0.04 0.00 -1.71 0.00 0.00 66.02 63.04 1xhh s SER 45 CO -0.10 0.29 0.25 0.00 1.20 0.00 0.00 173.24 174.88 1xhh s ASN 48 N -1.30 3.79 0.00 0.00 2.20 -1.26 -1.47 114.94 116.90 1xhh s ASN 48 Ca 0.13 -0.83 0.00 0.00 -0.94 0.00 0.00 52.86 51.23 1xhh s ASN 48 Cb -0.10 -0.44 0.00 0.00 -2.00 0.00 0.00 41.25 38.71 1xhh s ASN 48 CO 0.04 0.08 0.00 0.35 -2.94 0.00 0.00 177.10 174.63 1xhh n THR 49 N -0.20 0.00 -0.56 0.54 -2.24 -1.25 -4.95 114.28 105.62 1xhh n THR 49 Ca -0.09 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.41 1xhh n THR 49 Cb 0.57 -0.20 0.25 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.17 -0.44 1.04 6.98 0.00 -1.25 -4.93 121.76 121.99 1xhh s ALA 50 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 1xhh s ALA 50 Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1xhh s ALA 50 CO 0.00 -3.84 -0.39 0.00 0.00 0.00 0.00 175.76 171.53 1xhh n ALA 51 N -4.91 -3.59 -3.17 0.00 0.00 -1.26 -4.99 120.51 102.58 1xhh n ALA 51 Ca 0.03 -1.23 -0.25 0.00 0.00 0.00 0.00 53.44 52.00 1xhh n ALA 51 Cb 0.54 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.12 1.25 -0.02 0.00 1.09 -1.20 -4.79 121.20 115.40 1xhh s ILE 52 Ca 0.44 -0.58 -0.32 0.00 -1.10 0.00 0.00 60.65 59.09 1xhh s ILE 52 Cb -0.03 -1.10 -0.10 0.00 -1.06 0.00 0.00 42.46 40.17 1xhh s ILE 52 CO 0.57 0.37 1.96 -2.65 -0.10 0.00 0.00 174.94 175.09 1xhh n PRO 53 N 3.46 2.57 -1.72 2.79 -0.01 -1.26 -2.65 135.00 138.19 1xhh n PRO 53 Ca -0.20 0.94 -0.03 0.00 -0.01 0.00 0.00 63.50 64.20 1xhh n PRO 53 Cb 0.53 -2.89 0.00 0.00 -0.01 0.00 0.00 33.50 31.13 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 5.52 0.00 -0.57 3.45 -2.24 0.14 -4.51 114.28 116.07 1xhh n THR 54 Ca 0.22 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1xhh n THR 54 Cb 0.37 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 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 4.32 0.11 3.55 3.38 0.00 -1.26 -3.94 105.19 111.35 1xhh n GLY 55 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.64 3.01 -0.14 1.61 5.04 -1.26 -4.55 117.35 120.43 1xhh s TYR 56 Ca 0.00 0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 54.86 1xhh s TYR 56 Cb 0.00 -3.64 0.05 0.00 0.35 0.00 0.00 41.96 38.72 1xhh s TYR 56 CO 0.00 -0.95 0.09 -0.51 -1.34 0.00 0.00 175.55 172.85 1xhh s ASP 57 N 2.09 1.95 0.00 4.32 1.11 -1.26 -5.05 116.67 119.82 1xhh s ASP 57 Ca 0.31 -0.40 0.00 0.00 0.18 0.00 0.00 52.55 52.64 1xhh s ASP 57 Cb -0.12 -0.17 0.00 0.00 1.07 0.00 0.00 42.92 43.70 1xhh s ASP 57 CO 0.22 -0.32 0.00 0.35 1.18 0.00 0.00 175.17 176.60 1xhh n THR 58 N 5.29 0.00 0.03 -1.27 -2.24 -1.26 -4.95 114.28 109.87 1xhh n THR 58 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1xhh n THR 58 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1xhh n THR 58 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xhh n ASN 59 N 0.00 -0.05 0.00 3.42 5.03 -1.26 -5.11 115.26 117.29 1xhh n ASN 59 Ca 0.00 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.54 1xhh n ASN 59 Cb 0.00 0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 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 -2.67 0.00 -1.02 3.52 5.02 -1.26 -5.14 118.16 116.60 1xhh n LYS 60 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1xhh n LYS 60 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 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 -2.66 1.55 -0.19 0.00 -0.21 -0.65 -4.80 119.66 112.71 1xhh s GLN 62 Ca 0.00 -1.88 0.01 0.00 0.02 0.00 0.00 55.36 53.51 1xhh s GLN 62 Cb 0.00 -0.07 0.04 0.00 1.00 0.00 0.00 33.01 33.97 1xhh s GLN 62 CO 0.00 -0.44 -0.13 0.15 -2.12 0.00 0.00 175.29 172.75 1xhh s LYS 63 N -3.85 2.26 -0.07 2.91 1.02 -1.26 -2.16 119.74 118.59 1xhh s LYS 63 Ca 0.36 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.55 1xhh s LYS 63 Cb 0.05 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1xhh s LYS 63 CO 0.17 -0.36 -0.08 0.42 -0.92 0.00 0.00 175.35 174.58 1xhh s ILE 64 N 1.38 3.59 -0.29 2.17 1.01 -0.25 -4.93 121.20 123.89 1xhh s ILE 64 Ca 0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1xhh s ILE 64 Cb -0.15 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1xhh s ILE 64 CO -0.09 0.59 0.15 -0.22 0.00 0.00 0.00 174.94 175.36 1xhh s LEU 65 N -0.66 3.93 -0.14 2.97 0.20 -1.26 0.94 118.68 124.66 1xhh s LEU 65 Ca 0.10 -0.27 -0.28 0.00 0.69 0.00 0.00 54.13 54.38 1xhh s LEU 65 Cb -0.11 -2.03 -0.01 0.00 -0.43 0.00 0.00 46.19 43.61 1xhh s LEU 65 CO 0.02 -0.11 0.93 0.21 -0.29 0.00 0.00 176.35 177.10 1xhh s ASN 66 N 1.67 7.11 0.00 3.68 3.04 -0.55 -4.91 114.94 124.98 1xhh s ASN 66 Ca 0.06 1.36 0.30 0.00 0.04 0.00 0.00 52.86 54.62 1xhh s ASN 66 Cb -0.16 -2.51 1.38 0.00 -1.54 0.00 0.00 41.25 38.42 1xhh s ASN 66 CO 0.07 -0.43 1.94 2.29 -3.04 0.00 0.00 177.10 177.93 1xhh n LYS 67 N 5.13 1.17 0.17 0.43 -0.00 -1.26 -1.95 118.16 121.86 1xhh n LYS 67 Ca 0.07 -0.44 -0.14 0.00 -0.00 0.00 0.00 58.31 57.80 1xhh n LYS 67 Cb 0.49 -1.49 -0.07 0.00 -0.00 0.00 0.00 35.03 33.95 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 1.07 -0.39 -0.04 -1.58 1.79 -1.95 -3.31 116.57 112.16 1xhh h LYS 68 Ca 0.00 0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 1xhh h LYS 68 Cb 0.29 0.09 -0.22 0.00 -1.58 0.00 0.00 32.23 30.81 1xhh h LYS 68 CO 0.00 -0.26 -0.80 0.25 -1.08 0.00 0.00 179.45 177.56 1xhh n THR 69 N -5.28 1.11 -3.26 -0.16 -2.24 -1.26 -5.02 114.28 98.16 1xhh n THR 69 Ca -0.09 -2.17 -0.21 0.00 -2.27 0.00 0.00 64.05 59.31 1xhh n THR 69 Cb 0.20 0.39 0.02 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.29 0.00 0.04 0.00 -4.23 -0.82 -4.96 115.64 103.39 1xhh s THR 71 Ca 0.23 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.92 1xhh s THR 71 Cb -0.04 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1xhh s THR 71 CO 0.83 0.00 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.56 1xhh s TYR 72 N -4.08 2.95 0.23 3.99 1.51 -1.26 -1.48 117.35 119.20 1xhh s TYR 72 Ca 0.35 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 1xhh s TYR 72 Cb 0.05 -1.58 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 1xhh s TYR 72 CO 0.12 0.43 0.10 0.95 -1.11 0.00 0.00 175.55 176.04 1xhh s THR 73 N -1.14 0.37 -0.01 -0.71 -4.23 0.27 -4.86 115.64 105.33 1xhh s THR 73 Ca 0.21 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1xhh s THR 73 Cb -0.11 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.20 1xhh s THR 73 CO 0.12 -0.05 0.01 -0.69 -0.54 0.00 0.00 174.62 173.46 1xhh s VAL 74 N -3.89 0.01 0.43 2.29 1.01 -1.26 -1.09 120.40 117.91 1xhh s VAL 74 Ca 0.37 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1xhh s VAL 74 Cb 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.37 1xhh s VAL 74 CO 0.12 0.03 0.05 0.68 0.00 0.00 0.00 175.10 175.98 1xhh s VAL 75 N 0.30 1.14 -0.09 2.92 -7.23 -0.92 -3.62 120.40 112.90 1xhh s VAL 75 Ca -0.03 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.14 1xhh s VAL 75 Cb -0.04 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1xhh s VAL 75 CO -0.01 0.00 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.04 1xhh s GLU 76 N -3.80 3.01 0.31 4.82 2.12 -1.17 -1.64 118.70 122.35 1xhh s GLU 76 Ca 0.21 -0.50 0.23 0.00 0.36 0.00 0.00 54.97 55.28 1xhh s GLU 76 Cb 0.05 -2.72 1.14 0.00 0.26 0.00 0.00 34.13 32.85 1xhh s GLU 76 CO 0.11 0.59 1.71 -0.22 -0.54 0.00 0.00 175.26 176.91 1xhh h LYS 77 N 5.52 0.00 0.00 4.30 3.11 -1.93 -1.98 116.57 125.59 1xhh h LYS 77 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1xhh h LYS 77 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 1xhh h LYS 77 CO 0.55 0.00 0.00 1.17 -2.81 0.00 0.00 179.45 178.36 1xhh n LYS 78 N -2.29 0.22 -2.83 1.90 3.00 -1.26 -4.87 118.16 112.02 1xhh n LYS 78 Ca -0.00 -0.79 -0.07 0.00 -0.00 0.00 0.00 58.31 57.44 1xhh n LYS 78 Cb 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 35.03 34.16 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 -0.15 -3.06 0.00 3.14 -0.08 -0.75 -4.98 116.55 110.67 1xhh n ASP 79 Ca 0.00 -2.89 0.00 0.00 -1.51 0.00 0.00 54.79 50.40 1xhh n ASP 79 Cb 0.08 1.49 0.02 0.00 2.34 0.00 0.00 41.12 45.04 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 2.81 0.22 -0.08 -0.67 -0.02 -1.19 -1.91 135.00 134.17 1xhh n PRO 80 Ca 0.19 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.60 1xhh n PRO 80 Cb 0.56 -1.04 -0.13 0.00 -0.02 0.00 0.00 33.50 32.86 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 -0.30 -0.80 3.84 -1.23 0.00 -1.26 -4.84 105.19 100.59 1xhh n GLY 81 Ca 0.00 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.44 3.18 0.14 1.61 1.02 -0.80 -5.06 119.74 117.39 1xhh s LYS 82 Ca -0.08 -0.49 -0.09 0.00 0.02 0.00 0.00 55.97 55.33 1xhh s LYS 82 Cb 0.05 -2.92 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1xhh s LYS 82 CO 0.67 0.62 0.46 0.95 -0.92 0.00 0.00 175.35 177.13 1xhh s THR 83 N -1.34 5.03 0.21 2.17 -4.23 -1.26 -3.27 115.64 112.96 1xhh s THR 83 Ca 0.28 0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 61.18 1xhh s THR 83 Cb -0.12 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 70.12 1xhh s THR 83 CO 0.20 0.13 0.15 0.00 -0.54 0.00 0.00 174.62 174.57 1xhh s ASP 85 N -2.09 6.50 0.69 0.00 -1.08 -1.26 -5.00 116.67 114.43 1xhh s ASP 85 Ca 0.11 -1.59 -0.08 0.00 -0.52 0.00 0.00 52.55 50.46 1xhh s ASP 85 Cb -0.02 -2.48 0.04 0.00 -1.46 0.00 0.00 42.92 39.01 1xhh s ASP 85 CO 0.09 -1.33 1.03 -0.69 0.52 0.00 0.00 175.17 174.78 1xhh s VAL 86 N 3.93 2.76 0.00 1.11 1.01 -1.26 -4.32 120.40 123.63 1xhh s VAL 86 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1xhh s VAL 86 Cb -0.04 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1xhh s VAL 86 CO -0.06 -0.22 0.00 0.41 0.00 0.00 0.00 175.10 175.24 1xhh n THR 87 N -2.92 0.00 0.00 3.92 -1.04 -1.25 -4.94 114.28 108.04 1xhh n THR 87 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1xhh n THR 87 Cb 0.59 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 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 1.02 2.67 3.75 3.41 0.00 -1.25 -5.01 105.19 109.78 1xhh n GLY 88 Ca 0.00 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 2.82 -0.10 1.61 0.51 -1.26 0.25 118.94 120.77 1xhh s TRP 89 Ca 0.00 -0.27 -0.08 0.00 -2.12 0.00 0.00 56.10 53.63 1xhh s TRP 89 Cb 0.00 -1.50 0.03 0.00 -0.81 0.00 0.00 33.47 31.19 1xhh s TRP 89 CO 0.00 0.42 0.26 0.08 -0.51 0.00 0.00 176.95 177.20 1xhh s VAL 90 N -2.32 -0.01 -0.94 4.03 1.01 -1.08 -4.85 120.40 116.23 1xhh s VAL 90 Ca 0.36 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1xhh s VAL 90 Cb -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1xhh s VAL 90 CO 0.23 0.02 0.23 0.18 0.00 0.00 0.00 175.10 175.77