#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 -2.62 0.41 0.01 0.00 5.04 -1.03 -4.98 117.35 114.17 1xhh s TYR 3 Ca 0.00 -0.44 0.03 0.00 -2.44 0.00 0.00 57.07 54.21 1xhh s TYR 3 Cb 0.00 -0.26 -0.03 0.00 0.35 0.00 0.00 41.96 42.01 1xhh s TYR 3 CO 0.00 -0.12 -0.04 -0.06 -1.34 0.00 0.00 175.55 173.99 1xhh s PHE 4 N -1.22 2.95 -0.13 4.97 0.40 -1.26 -1.83 117.98 121.86 1xhh s PHE 4 Ca -0.11 -0.00 -0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1xhh s PHE 4 Cb -0.09 -1.62 0.05 0.00 0.51 0.00 0.00 43.02 41.87 1xhh s PHE 4 CO -0.00 0.41 0.07 0.42 0.70 0.00 0.00 175.22 176.81 1xhh s ILE 5 N -1.04 0.03 0.07 0.64 1.01 -0.19 -5.00 121.20 116.72 1xhh s ILE 5 Ca 0.18 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 1xhh s ILE 5 Cb -0.11 -0.52 -0.09 0.00 0.01 0.00 0.00 42.46 41.75 1xhh s ILE 5 CO 0.09 -0.10 1.89 -2.84 0.00 0.00 0.00 174.94 173.98 1xhh s PRO 6 N 2.09 4.14 0.53 2.79 0.02 -1.26 -2.02 135.00 141.30 1xhh s PRO 6 Ca 0.03 2.58 -0.19 0.00 0.02 0.00 0.00 61.00 63.44 1xhh s PRO 6 Cb -0.15 -3.91 -0.11 0.00 0.02 0.00 0.00 34.50 30.35 1xhh s PRO 6 CO -0.07 -0.90 0.35 -1.71 -0.33 0.00 0.00 177.00 174.34 1xhh n ASN 7 N 6.72 -1.73 0.00 2.53 2.85 -1.24 -4.90 115.26 119.50 1xhh n ASN 7 Ca 0.19 0.74 0.00 0.00 -0.11 0.00 0.00 54.58 55.39 1xhh n ASN 7 Cb 0.40 -1.08 0.00 0.00 1.24 0.00 0.00 39.78 40.34 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 0.45 0.39 -0.56 1.20 3.00 -1.26 -5.03 117.38 115.56 1xhh n GLN 8 Ca 0.11 -0.69 -0.24 0.00 -0.01 0.00 0.00 57.00 56.16 1xhh n GLN 8 Cb 0.46 -0.86 0.16 0.00 0.00 0.00 0.00 30.24 30.01 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 -0.14 -2.87 0.03 1.08 2.88 -1.26 -4.90 113.62 108.44 1xhh n SER 9 Ca 0.00 -0.33 -0.01 0.00 -1.33 0.00 0.00 58.87 57.20 1xhh n SER 9 Cb 0.16 -0.84 -0.08 0.00 -0.75 0.00 0.00 64.21 62.70 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 -2.51 0.00 -7.91 2.46 4.07 -2.02 -3.47 115.31 105.93 1xhh h LEU 10 Ca -0.36 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.44 1xhh h LEU 10 Cb 1.03 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.57 1xhh h LEU 10 CO 0.24 0.66 -0.62 -1.59 -1.08 0.00 0.00 178.44 176.04 1xhh s LYS 11 N -2.87 0.39 0.00 1.13 -2.85 -1.26 -5.16 119.74 109.13 1xhh s LYS 11 Ca -0.02 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1xhh s LYS 11 Cb 0.08 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 1xhh s LYS 11 CO 0.81 -0.08 0.00 -0.35 0.10 0.00 0.00 175.35 175.83 1xhh n PRO 12 N 1.44 -0.05 -3.85 1.78 -0.04 -1.26 -4.18 135.00 128.84 1xhh n PRO 12 Ca -0.23 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.94 1xhh n PRO 12 Cb 0.56 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.05 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 -1.40 -5.02 -3.60 3.54 4.05 -1.26 -4.94 115.26 106.62 1xhh n ASN 13 Ca 0.00 -0.73 -0.13 0.00 0.45 0.00 0.00 54.58 54.17 1xhh n ASN 13 Cb 0.00 -4.00 -0.05 0.00 1.23 0.00 0.00 39.78 36.95 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1xhh s GLU 14 N -6.56 1.70 -0.46 1.20 2.02 -1.26 -2.43 118.70 112.90 1xhh s GLU 14 Ca 0.65 -1.61 0.06 0.00 0.02 0.00 0.00 54.97 54.10 1xhh s GLU 14 Cb -0.32 0.42 0.21 0.00 0.10 0.00 0.00 34.13 34.54 1xhh s GLU 14 CO 0.80 -0.68 0.66 0.00 0.02 0.00 0.00 175.26 176.06 1xhh s GLN 16 N 0.23 3.42 -0.03 0.00 0.74 -1.26 -3.29 119.66 119.46 1xhh s GLN 16 Ca 0.32 -0.39 -0.17 0.00 0.05 0.00 0.00 55.36 55.17 1xhh s GLN 16 Cb 0.12 -3.06 0.03 0.00 1.10 0.00 0.00 33.01 31.20 1xhh s GLN 16 CO -0.15 0.64 0.36 0.34 -0.55 0.00 0.00 175.29 175.93 1xhh s ASP 17 N -2.24 -0.27 0.52 6.67 2.15 -1.19 -4.38 116.67 117.93 1xhh s ASP 17 Ca 0.31 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.52 1xhh s ASP 17 Cb -0.13 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 1xhh s ASP 17 CO 0.24 -0.44 0.00 0.18 -0.17 0.00 0.00 175.17 174.98 1xhh n LEU 18 N 1.37 0.00 -0.44 -1.34 4.32 -1.26 -2.28 117.00 117.37 1xhh n LEU 18 Ca -0.21 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 55.85 1xhh n LEU 18 Cb 0.56 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.51 1xhh n LEU 18 CO 0.21 -0.07 0.61 1.17 -1.22 0.00 0.00 177.39 178.10 1xhh n LYS 19 N 0.00 2.55 0.00 3.23 3.00 -1.26 -4.62 118.16 121.05 1xhh n LYS 19 Ca 0.00 -2.29 0.00 0.00 -0.00 0.00 0.00 58.31 56.02 1xhh n LYS 19 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 33.59 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 -0.46 0.00 3.77 3.14 0.00 -1.23 -4.73 105.19 105.67 1xhh n GLY 20 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.83 3.63 -0.30 1.61 1.01 -0.96 -4.99 120.40 118.56 1xhh s VAL 21 Ca 0.00 1.44 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 1xhh s VAL 21 Cb 0.00 -3.84 0.18 0.00 0.00 0.00 0.00 36.38 32.72 1xhh s VAL 21 CO 0.00 0.20 1.09 -0.55 0.00 0.00 0.00 175.10 175.83 1xhh s SER 22 N -1.23 -0.28 -0.06 3.32 0.15 -1.26 -3.15 113.70 111.20 1xhh s SER 22 Ca 0.51 -0.02 -0.15 0.00 0.70 0.00 0.00 55.95 56.99 1xhh s SER 22 Cb -0.27 0.93 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 1xhh s SER 22 CO 0.34 -0.05 0.34 -1.00 1.20 0.00 0.00 173.24 174.07 1xhh s HIS 23 N 2.67 -0.27 0.86 3.44 3.76 -1.21 -5.00 115.29 119.54 1xhh s HIS 23 Ca 0.25 0.53 -0.13 0.00 -0.15 0.00 0.00 55.06 55.56 1xhh s HIS 23 Cb 0.00 0.12 0.08 0.00 1.11 0.00 0.00 32.58 33.89 1xhh s HIS 23 CO -0.20 -0.33 0.94 -0.35 -0.85 0.00 0.00 174.74 173.94 1xhh n PRO 24 N 1.80 -0.08 -1.21 8.40 -0.04 -1.26 -1.30 135.00 141.31 1xhh n PRO 24 Ca -0.19 0.04 -0.34 0.00 -0.04 0.00 0.00 63.50 62.98 1xhh n PRO 24 Cb 0.57 -2.23 0.12 0.00 -0.04 0.00 0.00 33.50 31.92 1xhh n PRO 24 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xhh s LEU 25 N -4.30 3.20 0.00 1.53 2.96 -1.02 -4.50 118.68 116.55 1xhh s LEU 25 Ca 0.67 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.98 1xhh s LEU 25 Cb -0.26 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 41.83 1xhh s LEU 25 CO 0.57 -2.57 0.00 0.59 -1.32 0.00 0.00 176.35 173.62 1xhh n ASN 26 N -3.10 0.00 0.00 3.68 5.03 -1.26 -4.92 115.26 114.69 1xhh n ASN 26 Ca 0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1xhh n ASN 26 Cb 0.50 0.30 0.00 0.00 -1.02 0.00 0.00 39.78 39.57 1xhh n ASN 26 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1xhh n SER 27 N -1.99 0.00 -4.73 6.41 7.64 -1.26 -5.10 113.62 114.59 1xhh n SER 27 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1xhh n SER 27 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -2.16 4.07 -0.12 0.44 -7.23 -1.26 -3.78 120.40 110.37 1xhh s VAL 28 Ca 0.00 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 58.72 1xhh s VAL 28 Cb 0.00 -3.09 0.03 0.00 0.56 0.00 0.00 36.38 33.89 1xhh s VAL 28 CO 0.00 -0.15 0.36 -1.66 -0.31 0.00 0.00 175.10 173.33 1xhh s TRP 29 N -1.82 -0.37 0.42 2.82 -2.14 -0.88 -5.00 118.94 111.97 1xhh s TRP 29 Ca 0.30 0.88 0.07 0.00 2.66 0.00 0.00 56.10 60.00 1xhh s TRP 29 Cb -0.09 0.13 -0.05 0.00 -3.10 0.00 0.00 33.47 30.36 1xhh s TRP 29 CO 0.21 -0.22 0.20 -1.59 -2.66 0.00 0.00 176.95 172.89 1xhh s LYS 30 N -0.02 2.25 0.01 3.25 -2.85 -1.26 -2.59 119.74 118.52 1xhh s LYS 30 Ca -0.02 -1.84 0.00 0.00 -1.00 0.00 0.00 55.97 53.11 1xhh s LYS 30 Cb -0.03 -2.00 -0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1xhh s LYS 30 CO 0.01 -0.15 0.00 0.25 0.10 0.00 0.00 175.35 175.56 1xhh n THR 31 N -1.28 0.00 -0.58 3.79 -2.24 -0.81 -4.97 114.28 108.18 1xhh n THR 31 Ca -0.01 -0.06 -0.24 0.00 -2.27 0.00 0.00 64.05 61.47 1xhh n THR 31 Cb 0.64 0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.03 1.05 -0.56 -0.78 4.76 -1.26 -4.17 118.16 117.18 1xhh n LYS 32 Ca -0.00 -1.20 0.00 0.00 -2.87 0.00 0.00 58.31 54.23 1xhh n LYS 32 Cb 0.02 -2.43 0.00 0.00 -1.84 0.00 0.00 35.03 30.77 1xhh n LYS 32 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xhh n ASP 33 N 5.88 -2.81 0.02 4.39 8.00 -1.26 -4.66 116.55 126.11 1xhh n ASP 33 Ca 0.33 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.78 1xhh n ASP 33 Cb 0.20 -2.21 -0.11 0.00 -0.02 0.00 0.00 41.12 38.98 1xhh n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xhh s GLU 35 N -2.73 1.61 -0.28 0.00 2.12 -1.26 -3.89 118.70 114.27 1xhh s GLU 35 Ca -0.02 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.47 1xhh s GLU 35 Cb 0.09 0.60 0.14 0.00 0.26 0.00 0.00 34.13 35.21 1xhh s GLU 35 CO 0.81 -0.73 0.34 -2.00 -0.54 0.00 0.00 175.26 173.15 1xhh s GLU 36 N -3.87 0.35 -0.11 4.30 2.12 -0.88 -1.93 118.70 118.69 1xhh s GLU 36 Ca 0.08 0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.45 1xhh s GLU 36 Cb -0.04 -0.54 -0.03 0.00 0.26 0.00 0.00 34.13 33.78 1xhh s GLU 36 CO 0.01 -0.96 -0.03 0.00 -0.54 0.00 0.00 175.26 173.73 1xhh s THR 38 N -0.43 1.12 -0.39 0.00 -4.23 0.03 -2.07 115.64 109.66 1xhh s THR 38 Ca 0.07 -1.12 -0.06 0.00 -1.18 0.00 0.00 61.69 59.40 1xhh s THR 38 Cb -0.12 -1.04 0.08 0.00 1.34 0.00 0.00 72.50 72.76 1xhh s THR 38 CO 0.02 -0.08 0.19 0.00 -0.54 0.00 0.00 174.62 174.22 1xhh n GLY 40 N 4.78 0.41 0.00 0.00 0.00 -0.21 -4.80 105.19 105.37 1xhh n GLY 40 Ca -0.09 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1xhh n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xhh n GLN 41 N -1.21 0.00 -1.20 1.61 3.00 -1.26 -3.99 117.38 114.33 1xhh n GLN 41 Ca 0.02 0.04 -0.16 0.00 -0.01 0.00 0.00 57.00 56.89 1xhh n GLN 41 Cb 0.06 -0.59 0.14 0.00 0.00 0.00 0.00 30.24 29.86 1xhh n GLN 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1xhh n ASP 42 N -0.13 4.00 -3.74 1.08 5.68 -1.26 -4.89 116.55 117.29 1xhh n ASP 42 Ca 0.00 -3.77 -0.13 0.00 -0.50 0.00 0.00 54.79 50.39 1xhh n ASP 42 Cb 0.00 -0.66 -0.11 0.00 -1.14 0.00 0.00 41.12 39.21 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 -3.43 -0.89 -0.18 2.12 0.00 -1.26 -3.61 121.76 114.52 1xhh s ALA 43 Ca 0.51 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 1xhh s ALA 43 Cb 0.43 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1xhh s ALA 43 CO 0.01 -0.18 -0.04 0.42 0.00 0.00 0.00 175.76 175.97 1xhh s ILE 44 N 0.41 3.73 -0.28 0.00 1.01 -0.86 -1.05 121.20 124.17 1xhh s ILE 44 Ca -0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 1xhh s ILE 44 Cb -0.04 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1xhh s ILE 44 CO -0.02 0.46 0.05 -0.55 0.00 0.00 0.00 174.94 174.88 1xhh s SER 45 N 0.76 4.94 -0.09 3.58 0.15 -0.91 -1.02 113.70 121.12 1xhh s SER 45 Ca -0.01 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 55.98 1xhh s SER 45 Cb -0.14 -1.84 0.01 0.00 -1.71 0.00 0.00 66.02 62.33 1xhh s SER 45 CO 0.02 -0.16 -0.18 0.00 1.20 0.00 0.00 173.24 174.12 1xhh s ASN 48 N -2.35 0.24 0.00 0.00 0.01 -1.26 -2.08 114.94 109.50 1xhh s ASN 48 Ca 0.25 0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 1xhh s ASN 48 Cb -0.11 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.54 1xhh s ASN 48 CO 0.18 -0.16 0.67 0.41 -1.51 0.00 0.00 177.10 176.69 1xhh n THR 49 N 4.44 0.42 -3.12 1.60 -1.04 -1.25 -4.96 114.28 110.36 1xhh n THR 49 Ca -0.22 -0.46 -0.45 0.00 -2.04 0.00 0.00 64.05 60.87 1xhh n THR 49 Cb 0.50 0.87 -0.03 0.00 -1.82 0.00 0.00 70.33 69.85 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 -0.42 3.67 0.33 2.41 0.00 -1.25 -4.96 121.76 121.54 1xhh s ALA 50 Ca 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 51.96 49.06 1xhh s ALA 50 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1xhh s ALA 50 CO 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 175.76 173.17 1xhh n ALA 51 N 5.46 -3.16 -3.71 0.00 0.00 -1.26 -4.76 120.51 113.07 1xhh n ALA 51 Ca 0.14 0.49 -0.14 0.00 0.00 0.00 0.00 53.44 53.92 1xhh n ALA 51 Cb 0.47 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.37 -0.14 0.05 0.00 1.10 -1.10 -4.96 121.20 112.76 1xhh s ILE 52 Ca 0.00 0.23 -0.32 0.00 -0.51 0.00 0.00 60.65 60.05 1xhh s ILE 52 Cb 0.00 -0.31 -0.11 0.00 0.15 0.00 0.00 42.46 42.20 1xhh s ILE 52 CO 0.00 0.10 1.88 -2.65 -2.11 0.00 0.00 174.94 172.16 1xhh n PRO 53 N 4.63 2.64 -4.42 3.50 -0.01 -1.26 -2.44 135.00 137.64 1xhh n PRO 53 Ca -0.18 0.96 -0.31 0.00 -0.01 0.00 0.00 63.50 63.96 1xhh n PRO 53 Cb 0.51 -2.86 -0.04 0.00 -0.01 0.00 0.00 33.50 31.10 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 3.55 1.26 0.00 3.45 -4.23 -0.01 -4.57 115.64 115.09 1xhh s THR 54 Ca 0.87 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1xhh s THR 54 Cb -0.53 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.26 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 -1.51 0.00 3.56 3.99 0.00 -1.26 -3.40 105.19 106.57 1xhh n GLY 55 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.52 3.11 -0.52 1.61 5.04 -1.26 -4.25 117.35 120.55 1xhh s TYR 56 Ca 0.00 0.27 -0.27 0.00 -2.44 0.00 0.00 57.07 54.63 1xhh s TYR 56 Cb 0.00 -3.27 0.03 0.00 0.35 0.00 0.00 41.96 39.08 1xhh s TYR 56 CO 0.00 -0.72 1.10 -0.51 -1.34 0.00 0.00 175.55 174.07 1xhh s ASP 57 N 1.88 6.51 -0.59 4.32 1.01 -1.26 -4.91 116.67 123.62 1xhh s ASP 57 Ca 0.25 0.17 -0.23 0.00 0.71 0.00 0.00 52.55 53.46 1xhh s ASP 57 Cb -0.14 -2.52 -0.20 0.00 1.01 0.00 0.00 42.92 41.07 1xhh s ASP 57 CO 0.17 -1.30 1.85 0.35 0.21 0.00 0.00 175.17 176.44 1xhh n THR 58 N 6.64 1.41 0.07 -1.27 -2.24 -1.26 -4.51 114.28 113.11 1xhh n THR 58 Ca 0.08 -1.20 -0.21 0.00 -2.27 0.00 0.00 64.05 60.45 1xhh n THR 58 Cb 0.49 -2.23 -0.15 0.00 -2.10 0.00 0.00 70.33 66.34 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 8.30 0.54 0.00 3.42 -0.73 -1.98 -3.43 115.58 121.70 1xhh h ASN 59 Ca 0.38 -0.95 -0.21 0.00 1.87 0.00 0.00 56.30 57.40 1xhh h ASN 59 Cb 0.64 -0.17 -0.15 0.00 0.27 0.00 0.00 38.32 38.91 1xhh h ASN 59 CO 1.95 1.45 -0.31 1.17 -0.37 0.00 0.00 177.43 181.32 1xhh n LYS 60 N -4.05 1.14 -3.83 6.67 4.81 -1.26 -5.14 118.16 116.49 1xhh n LYS 60 Ca -0.14 -1.69 -0.08 0.00 -0.87 0.00 0.00 58.31 55.53 1xhh n LYS 60 Cb 0.87 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.93 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 -3.17 1.47 -0.09 0.00 0.74 -0.71 -4.86 119.66 113.04 1xhh s GLN 62 Ca 0.13 -1.81 -0.01 0.00 0.05 0.00 0.00 55.36 53.73 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 0.09 -0.33 -0.05 -1.59 -0.55 0.00 0.00 175.29 172.87 1xhh s LYS 63 N -3.98 3.00 0.13 1.67 -2.85 -1.26 -2.07 119.74 114.38 1xhh s LYS 63 Ca 0.37 -0.51 0.05 0.00 -1.00 0.00 0.00 55.97 54.88 1xhh s LYS 63 Cb 0.07 -2.71 -0.04 0.00 -2.06 0.00 0.00 37.83 33.09 1xhh s LYS 63 CO 0.14 0.59 -0.12 -1.50 0.10 0.00 0.00 175.35 174.56 1xhh s ILE 64 N -0.58 1.21 -0.32 3.79 2.07 0.87 -4.97 121.20 123.26 1xhh s ILE 64 Ca 0.09 -1.86 -0.02 0.00 -1.41 0.00 0.00 60.65 57.46 1xhh s ILE 64 Cb -0.12 -1.64 0.06 0.00 0.13 0.00 0.00 42.46 40.90 1xhh s ILE 64 CO 0.02 -0.58 0.04 -0.22 -1.91 0.00 0.00 174.94 172.29 1xhh s LEU 65 N -2.77 4.22 0.11 8.50 0.20 -1.26 -0.48 118.68 127.21 1xhh s LEU 65 Ca 0.12 -1.47 -0.26 0.00 0.69 0.00 0.00 54.13 53.20 1xhh s LEU 65 Cb -0.01 -1.73 -0.07 0.00 -0.43 0.00 0.00 46.19 43.95 1xhh s LEU 65 CO 0.02 -0.32 0.82 0.21 -0.29 0.00 0.00 176.35 176.79 1xhh s ASN 66 N 1.35 7.36 0.00 3.68 3.04 -0.69 -4.93 114.94 124.76 1xhh s ASN 66 Ca -0.02 1.62 0.25 0.00 0.04 0.00 0.00 52.86 54.75 1xhh s ASN 66 Cb -0.20 -2.51 0.50 0.00 -1.54 0.00 0.00 41.25 37.49 1xhh s ASN 66 CO -0.02 0.07 1.40 2.29 -3.04 0.00 0.00 177.10 177.81 1xhh n LYS 67 N 2.32 0.18 -0.22 0.43 -0.00 -1.26 -2.23 118.16 117.39 1xhh n LYS 67 Ca -0.02 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1xhh n LYS 67 Cb 0.49 -1.50 0.11 0.00 -0.00 0.00 0.00 35.03 34.13 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 0.27 0.54 0.00 -1.58 1.63 -1.96 -3.14 116.57 112.34 1xhh h LYS 68 Ca 0.00 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1xhh h LYS 68 Cb 0.50 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 1xhh h LYS 68 CO 0.00 0.36 -0.37 0.25 -3.45 0.00 0.00 179.45 176.24 1xhh n THR 69 N -4.88 0.94 -3.52 1.00 -2.24 -1.26 -5.03 114.28 99.29 1xhh n THR 69 Ca 0.09 -1.29 -0.19 0.00 -2.27 0.00 0.00 64.05 60.39 1xhh n THR 69 Cb 0.23 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.82 0.00 -0.04 0.00 -1.32 -0.94 -5.02 115.64 105.49 1xhh s THR 71 Ca 0.05 -1.49 0.01 0.00 -1.21 0.00 0.00 61.69 59.05 1xhh s THR 71 Cb -0.01 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 1xhh s THR 71 CO 0.85 0.00 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.90 1xhh s TYR 72 N -3.38 2.97 0.08 9.09 2.02 -1.26 -1.70 117.35 125.16 1xhh s TYR 72 Ca 0.26 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 1xhh s TYR 72 Cb -0.01 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 1xhh s TYR 72 CO 0.15 0.38 -0.07 0.95 -1.57 0.00 0.00 175.55 175.39 1xhh s THR 73 N -0.91 0.65 -0.17 -0.71 -4.23 0.37 -4.94 115.64 105.69 1xhh s THR 73 Ca 0.15 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1xhh s THR 73 Cb -0.11 -1.34 0.02 0.00 1.34 0.00 0.00 72.50 72.41 1xhh s THR 73 CO 0.04 -0.71 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.52 1xhh s VAL 74 N -2.89 2.09 0.38 2.29 1.01 -1.26 -0.09 120.40 121.92 1xhh s VAL 74 Ca 0.05 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1xhh s VAL 74 Cb 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1xhh s VAL 74 CO -0.03 0.54 0.26 0.68 0.00 0.00 0.00 175.10 176.55 1xhh s VAL 75 N 1.20 2.85 -0.10 2.92 -7.23 -0.88 -1.37 120.40 117.79 1xhh s VAL 75 Ca 0.03 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1xhh s VAL 75 Cb -0.13 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 1xhh s VAL 75 CO -0.11 -0.08 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.85 1xhh s GLU 76 N -3.98 3.07 0.00 4.82 2.12 -1.25 -1.73 118.70 121.75 1xhh s GLU 76 Ca 0.42 -0.52 0.08 0.00 0.36 0.00 0.00 54.97 55.31 1xhh s GLU 76 Cb -0.02 -2.72 0.34 0.00 0.26 0.00 0.00 34.13 31.99 1xhh s GLU 76 CO 0.25 0.54 1.24 1.63 -0.54 0.00 0.00 175.26 178.37 1xhh n LYS 77 N 2.62 0.01 -0.00 4.30 4.76 -1.25 -1.76 118.16 126.84 1xhh n LYS 77 Ca -0.18 0.35 0.01 0.00 -2.87 0.00 0.00 58.31 55.62 1xhh n LYS 77 Cb 0.53 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 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 -0.76 -2.82 1.97 3.00 -1.26 -4.84 118.16 111.96 1xhh n LYS 78 Ca 0.02 -0.59 -0.10 0.00 -0.00 0.00 0.00 58.31 57.64 1xhh n LYS 78 Cb 0.09 -1.02 0.03 0.00 0.00 0.00 0.00 35.03 34.12 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 0.05 -2.50 0.00 3.14 -0.08 -0.72 -4.97 116.55 111.46 1xhh n ASP 79 Ca 0.01 -3.17 0.02 0.00 -1.51 0.00 0.00 54.79 50.13 1xhh n ASP 79 Cb 0.03 1.46 0.13 0.00 2.34 0.00 0.00 41.12 45.08 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 1.76 0.25 -0.00 -0.67 -0.05 -1.15 -1.57 135.00 133.57 1xhh n PRO 80 Ca 0.12 0.00 0.10 0.00 -0.05 0.00 0.00 63.50 63.67 1xhh n PRO 80 Cb 0.61 -1.27 -0.11 0.00 -0.05 0.00 0.00 33.50 32.68 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 -0.38 -1.01 3.31 0.55 0.00 -1.26 -4.91 105.19 101.49 1xhh n GLY 81 Ca 0.03 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.06 1.21 0.42 1.61 1.02 -0.61 -5.13 119.74 115.20 1xhh s LYS 82 Ca 0.06 -1.49 -0.01 0.00 0.02 0.00 0.00 55.97 54.55 1xhh s LYS 82 Cb 0.16 -0.98 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 1xhh s LYS 82 CO 0.87 0.16 0.65 0.95 -0.92 0.00 0.00 175.35 177.06 1xhh s THR 83 N -2.86 4.72 0.00 2.17 -4.23 -1.26 -3.91 115.64 110.27 1xhh s THR 83 Ca 0.19 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1xhh s THR 83 Cb -0.01 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1xhh s THR 83 CO 0.05 -0.57 0.00 0.00 -0.54 0.00 0.00 174.62 173.55 1xhh s ASP 85 N -1.00 6.55 0.65 0.00 2.15 -1.26 -4.99 116.67 118.77 1xhh s ASP 85 Ca 0.00 -2.17 -0.05 0.00 0.43 0.00 0.00 52.55 50.76 1xhh s ASP 85 Cb 0.00 -2.28 0.05 0.00 -0.30 0.00 0.00 42.92 40.39 1xhh s ASP 85 CO 0.00 -0.84 0.94 0.54 -0.17 0.00 0.00 175.17 175.64 1xhh s VAL 86 N 1.49 2.61 0.00 1.11 0.11 -1.26 -4.43 120.40 120.03 1xhh s VAL 86 Ca 0.19 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1xhh s VAL 86 Cb -0.13 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 1xhh s VAL 86 CO -0.05 -0.08 0.00 0.41 -3.33 0.00 0.00 175.10 172.05 1xhh n THR 87 N -2.74 0.00 -1.66 5.04 -1.04 -1.26 -4.96 114.28 107.66 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 0.60 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 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 2.65 -1.34 3.23 3.41 0.00 -1.22 -5.02 105.19 106.90 1xhh n GLY 88 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.52 1.22 -0.06 1.61 0.51 -1.26 -0.83 118.94 117.60 1xhh s TRP 89 Ca 0.00 -1.26 -0.03 0.00 -2.12 0.00 0.00 56.10 52.69 1xhh s TRP 89 Cb 0.00 -0.65 0.04 0.00 -0.81 0.00 0.00 33.47 32.04 1xhh s TRP 89 CO 0.00 -0.49 0.13 0.08 -0.51 0.00 0.00 176.95 176.17 1xhh s VAL 90 N -3.98 -0.06 -2.00 4.03 1.01 -1.02 -4.81 120.40 113.58 1xhh s VAL 90 Ca 0.34 0.19 0.16 0.00 0.00 0.00 0.00 61.98 62.68 1xhh s VAL 90 Cb 0.07 -0.23 0.46 0.00 0.00 0.00 0.00 36.38 36.69 1xhh s VAL 90 CO 0.10 0.08 1.38 0.18 0.00 0.00 0.00 175.10 176.84