#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 -2.91 1.99 -0.01 0.00 6.14 -0.99 -4.98 117.35 116.58 1xhh s TYR 3 Ca 0.15 -0.94 0.01 0.00 0.64 0.00 0.00 57.07 56.93 1xhh s TYR 3 Cb -0.02 -1.30 0.01 0.00 0.42 0.00 0.00 41.96 41.07 1xhh s TYR 3 CO 0.05 0.03 -0.02 -0.06 0.64 0.00 0.00 175.55 176.19 1xhh s PHE 4 N -3.27 0.32 -0.24 4.97 0.08 -1.26 -2.61 117.98 115.97 1xhh s PHE 4 Ca 0.36 -0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.33 1xhh s PHE 4 Cb 0.09 -0.29 0.08 0.00 -0.57 0.00 0.00 43.02 42.33 1xhh s PHE 4 CO 0.15 -0.06 0.10 0.42 -0.10 0.00 0.00 175.22 175.73 1xhh s ILE 5 N 0.38 0.15 -0.03 0.64 -1.09 0.25 -5.01 121.20 116.48 1xhh s ILE 5 Ca -0.04 -0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 57.43 1xhh s ILE 5 Cb -0.07 -0.97 -0.07 0.00 -1.58 0.00 0.00 42.46 39.77 1xhh s ILE 5 CO -0.01 -0.52 1.91 -2.84 -1.23 0.00 0.00 174.94 172.26 1xhh s PRO 6 N 2.00 3.99 0.16 2.79 0.02 -1.26 -2.08 135.00 140.62 1xhh s PRO 6 Ca 0.06 2.38 -0.34 0.00 0.02 0.00 0.00 61.00 63.12 1xhh s PRO 6 Cb -0.16 -4.15 -0.15 0.00 0.02 0.00 0.00 34.50 30.06 1xhh s PRO 6 CO -0.23 -1.11 1.45 -1.71 -0.33 0.00 0.00 177.00 175.07 1xhh n ASN 7 N 8.07 2.50 -0.29 2.53 2.85 -1.26 -4.85 115.26 124.82 1xhh n ASN 7 Ca 0.21 1.11 0.12 0.00 -0.11 0.00 0.00 54.58 55.90 1xhh n ASN 7 Cb 0.42 -1.35 0.20 0.00 1.24 0.00 0.00 39.78 40.30 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 2.80 0.82 -2.02 1.20 3.00 -1.26 -4.93 117.38 116.99 1xhh n GLN 8 Ca 0.16 -0.58 -0.37 0.00 -0.01 0.00 0.00 57.00 56.21 1xhh n GLN 8 Cb 0.26 -1.49 0.03 0.00 0.00 0.00 0.00 30.24 29.04 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 -2.58 5.37 -0.18 1.08 0.01 -1.26 -4.95 113.70 111.20 1xhh s SER 9 Ca 0.20 2.43 0.08 0.00 1.31 0.00 0.00 55.95 59.97 1xhh s SER 9 Cb 0.18 -2.61 -0.22 0.00 0.21 0.00 0.00 66.02 63.59 1xhh s SER 9 CO 0.58 -1.48 0.14 0.18 0.41 0.00 0.00 173.24 173.07 1xhh n LEU 10 N -1.32 1.52 -4.53 2.44 4.77 -1.26 -4.89 117.00 113.74 1xhh n LEU 10 Ca 0.12 0.07 -0.53 0.00 -0.03 0.00 0.00 56.01 55.64 1xhh n LEU 10 Cb 0.49 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1xhh n LEU 10 CO 0.46 0.67 1.63 0.29 -1.33 0.00 0.00 177.39 179.12 1xhh n LYS 11 N -3.08 1.09 -0.09 3.23 4.76 -1.26 -4.71 118.16 118.10 1xhh n LYS 11 Ca -0.34 0.34 -0.01 0.00 -2.87 0.00 0.00 58.31 55.44 1xhh n LYS 11 Cb 1.07 -2.28 -0.01 0.00 -1.84 0.00 0.00 35.03 31.97 1xhh n LYS 11 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1xhh n PRO 12 N 7.19 0.18 -2.66 1.97 -0.02 -1.26 -3.01 135.00 137.39 1xhh n PRO 12 Ca 0.37 -0.05 -0.04 0.00 -2.02 0.00 0.00 63.50 61.75 1xhh n PRO 12 Cb 0.18 -1.49 0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1xhh n PRO 12 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1xhh n ASN 13 N 2.37 -1.22 -3.87 2.55 6.94 -1.26 -5.11 115.26 115.65 1xhh n ASN 13 Ca 0.02 -1.77 -0.18 0.00 -0.02 0.00 0.00 54.58 52.64 1xhh n ASN 13 Cb 0.08 1.04 -0.09 0.00 -2.36 0.00 0.00 39.78 38.45 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1xhh s GLU 14 N 0.05 1.57 -0.50 -3.83 2.02 -1.16 -2.90 118.70 113.95 1xhh s GLU 14 Ca 0.08 -1.89 0.06 0.00 0.02 0.00 0.00 54.97 53.24 1xhh s GLU 14 Cb 0.13 0.06 0.20 0.00 0.10 0.00 0.00 34.13 34.62 1xhh s GLU 14 CO -0.05 -0.49 0.71 0.00 0.02 0.00 0.00 175.26 175.45 1xhh s GLN 16 N 0.67 3.04 -0.06 0.00 1.03 -1.26 -3.54 119.66 119.54 1xhh s GLN 16 Ca 0.31 -0.99 -0.05 0.00 0.04 0.00 0.00 55.36 54.67 1xhh s GLN 16 Cb 0.06 -2.64 0.02 0.00 0.03 0.00 0.00 33.01 30.48 1xhh s GLN 16 CO -0.11 0.40 0.16 0.34 -2.54 0.00 0.00 175.29 173.53 1xhh s ASP 17 N -3.88 -0.15 0.80 12.60 -1.08 -1.21 -4.72 116.67 119.03 1xhh s ASP 17 Ca 0.33 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.68 1xhh s ASP 17 Cb -0.08 0.29 0.00 0.00 -1.46 0.00 0.00 42.92 41.67 1xhh s ASP 17 CO 0.26 -0.08 0.00 0.18 0.52 0.00 0.00 175.17 176.05 1xhh n LEU 18 N 3.35 0.00 -0.26 -1.34 4.77 -1.26 -2.12 117.00 120.14 1xhh n LEU 18 Ca -0.16 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.84 1xhh n LEU 18 Cb 0.57 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1xhh n LEU 18 CO 0.20 0.00 0.41 1.17 -1.33 0.00 0.00 177.39 177.84 1xhh n LYS 19 N 6.63 0.71 -0.10 3.23 3.00 -1.26 -4.66 118.16 125.70 1xhh n LYS 19 Ca 0.00 -1.12 -0.17 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 0.24 -0.30 3.80 3.14 0.00 -1.23 -4.67 105.19 106.17 1xhh n GLY 20 Ca 0.04 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.39 3.81 0.00 1.61 1.01 -0.90 -4.97 120.40 118.56 1xhh s VAL 21 Ca -0.28 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1xhh s VAL 21 Cb 0.09 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1xhh s VAL 21 CO 0.42 -0.34 0.00 -0.24 0.00 0.00 0.00 175.10 174.95 1xhh n SER 22 N -1.32 0.00 -3.75 3.32 2.88 -1.26 -3.32 113.62 110.16 1xhh n SER 22 Ca 0.09 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.50 1xhh n SER 22 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1xhh n SER 22 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1xhh s HIS 23 N 0.00 -0.18 0.94 0.66 3.76 -1.23 -4.98 115.29 114.26 1xhh s HIS 23 Ca 0.00 0.22 -0.12 0.00 -0.15 0.00 0.00 55.06 55.01 1xhh s HIS 23 Cb 0.00 0.11 0.08 0.00 1.11 0.00 0.00 32.58 33.88 1xhh s HIS 23 CO 0.00 -0.43 0.68 -0.35 -0.85 0.00 0.00 174.74 173.79 1xhh n PRO 24 N 1.08 -0.37 -0.99 8.40 -0.04 -1.26 -1.70 135.00 140.12 1xhh n PRO 24 Ca -0.21 -0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 62.86 1xhh n PRO 24 Cb 0.57 -2.05 0.11 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 -2.41 1.71 -2.54 1.53 0.00 -1.14 -4.44 117.00 109.70 1xhh n LEU 25 Ca 0.09 0.48 -0.02 0.00 0.00 0.00 0.00 56.01 56.55 1xhh n LEU 25 Cb 0.53 -1.32 0.12 0.00 0.00 0.00 0.00 43.42 42.74 1xhh n LEU 25 CO 0.50 -2.81 0.59 0.59 0.00 0.00 0.00 177.39 176.26 1xhh n ASN 26 N -1.90 -1.31 0.00 1.96 3.02 -1.26 -4.98 115.26 110.78 1xhh n ASN 26 Ca 0.10 -2.09 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1xhh n ASN 26 Cb 0.52 0.62 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 1xhh n ASN 26 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xhh n SER 27 N -1.37 -2.13 -4.61 6.41 3.41 -1.26 -4.74 113.62 109.33 1xhh n SER 27 Ca -0.16 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.11 1xhh n SER 27 Cb 0.84 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.68 1xhh n SER 27 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xhh s VAL 28 N 0.00 3.96 -0.07 -3.33 -7.23 -1.26 -4.03 120.40 108.44 1xhh s VAL 28 Ca 0.00 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.81 1xhh s VAL 28 Cb 0.00 -2.65 0.02 0.00 0.56 0.00 0.00 36.38 34.31 1xhh s VAL 28 CO 0.00 0.59 -0.08 -1.66 -0.31 0.00 0.00 175.10 173.64 1xhh s TRP 29 N -0.72 1.20 -0.14 2.82 -2.14 -1.05 -5.01 118.94 113.89 1xhh s TRP 29 Ca 0.11 -0.45 -0.00 0.00 2.66 0.00 0.00 56.10 58.41 1xhh s TRP 29 Cb -0.11 -0.96 0.03 0.00 -3.10 0.00 0.00 33.47 29.33 1xhh s TRP 29 CO 0.02 -0.30 -0.06 0.15 -2.66 0.00 0.00 176.95 174.10 1xhh s LYS 30 N 1.02 1.48 0.42 3.25 3.01 -1.26 -2.64 119.74 125.02 1xhh s LYS 30 Ca -0.09 -0.41 0.28 0.00 -1.01 0.00 0.00 55.97 54.75 1xhh s LYS 30 Cb -0.15 -1.83 0.95 0.00 -1.01 0.00 0.00 37.83 35.80 1xhh s LYS 30 CO -0.00 -0.36 1.81 1.79 0.51 0.00 0.00 175.35 179.09 1xhh h THR 31 N 6.29 0.00 -5.74 2.17 1.35 -1.70 -3.46 112.91 111.81 1xhh h THR 31 Ca -0.27 -0.58 -0.42 0.00 -0.55 0.00 0.00 66.41 64.59 1xhh h THR 31 Cb 1.12 1.52 -0.08 0.00 -1.73 0.00 0.00 68.15 68.98 1xhh h THR 31 CO 0.41 0.00 -0.64 1.17 -0.25 0.00 0.00 175.52 176.21 1xhh n LYS 32 N -2.81 -3.84 0.00 4.72 4.81 -1.24 -4.41 118.16 115.39 1xhh n LYS 32 Ca 0.02 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1xhh n LYS 32 Cb 0.36 -5.26 0.00 0.00 0.02 0.00 0.00 35.03 30.15 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 -2.46 0.00 -0.07 3.14 -0.08 -1.26 -5.00 116.55 110.83 1xhh n ASP 33 Ca 0.01 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.15 1xhh n ASP 33 Cb 0.53 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.94 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 -2.26 1.55 -0.28 0.00 2.12 -1.26 -4.30 118.70 114.27 1xhh s GLU 35 Ca -0.19 -0.75 -0.03 0.00 0.36 0.00 0.00 54.97 54.36 1xhh s GLU 35 Cb 0.07 0.60 0.09 0.00 0.26 0.00 0.00 34.13 35.15 1xhh s GLU 35 CO 0.26 -0.70 0.11 -1.21 -0.54 0.00 0.00 175.26 173.18 1xhh s GLU 36 N -3.83 0.40 -0.10 4.30 2.02 -0.61 -1.63 118.70 119.25 1xhh s GLU 36 Ca 0.07 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.40 1xhh s GLU 36 Cb -0.04 -1.56 -0.00 0.00 0.10 0.00 0.00 34.13 32.63 1xhh s GLU 36 CO -0.02 -0.96 -0.23 0.00 0.02 0.00 0.00 175.26 174.07 1xhh s THR 38 N 0.31 2.01 -0.58 0.00 -4.23 0.28 -2.52 115.64 110.91 1xhh s THR 38 Ca -0.17 -2.24 -0.06 0.00 -1.18 0.00 0.00 61.69 58.05 1xhh s THR 38 Cb -0.18 -2.36 0.15 0.00 1.34 0.00 0.00 72.50 71.45 1xhh s THR 38 CO 0.08 -0.37 0.41 0.00 -0.54 0.00 0.00 174.62 174.21 1xhh s GLY 40 N 1.52 1.76 0.32 0.00 0.00 0.83 -4.80 107.32 106.95 1xhh s GLY 40 Ca 0.13 1.18 0.09 0.00 0.00 0.00 0.00 44.72 46.12 1xhh s GLY 40 CO -0.04 2.55 1.13 -1.06 0.00 0.00 0.00 173.10 175.68 1xhh n GLN 41 N 4.44 0.07 0.00 2.90 1.13 -1.26 -0.27 117.38 124.39 1xhh n GLN 41 Ca 0.13 0.53 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 1xhh n GLN 41 Cb 0.41 -2.14 0.00 0.00 0.11 0.00 0.00 30.24 28.61 1xhh n GLN 41 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xhh n ASP 42 N -1.95 0.12 -2.80 1.08 8.00 -1.26 -5.10 116.55 114.64 1xhh n ASP 42 Ca -0.01 -0.43 -0.09 0.00 0.71 0.00 0.00 54.79 54.97 1xhh n ASP 42 Cb 0.45 0.36 0.03 0.00 -0.02 0.00 0.00 41.12 41.93 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xhh n ALA 43 N -0.36 -1.76 -3.56 2.24 0.00 0.63 -4.52 120.51 113.19 1xhh n ALA 43 Ca 0.00 -1.29 -0.27 0.00 0.00 0.00 0.00 53.44 51.89 1xhh n ALA 43 Cb 0.03 1.02 -0.17 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.11 1.31 -0.11 0.00 1.01 -0.88 0.29 121.20 120.70 1xhh s ILE 44 Ca 0.16 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1xhh s ILE 44 Cb -0.05 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1xhh s ILE 44 CO 0.12 0.40 -0.05 -0.94 0.00 0.00 0.00 174.94 174.47 1xhh s SER 45 N 0.86 4.74 -0.08 3.58 1.04 -1.06 -0.59 113.70 122.20 1xhh s SER 45 Ca -0.10 -0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 1xhh s SER 45 Cb -0.15 -1.46 0.04 0.00 0.10 0.00 0.00 66.02 64.55 1xhh s SER 45 CO 0.01 0.28 0.10 0.00 0.98 0.00 0.00 173.24 174.61 1xhh s ASN 48 N -1.67 1.79 0.00 0.00 4.22 -1.26 -1.57 114.94 116.45 1xhh s ASN 48 Ca 0.19 -0.29 0.10 0.00 -2.14 0.00 0.00 52.86 50.72 1xhh s ASN 48 Cb -0.11 -0.55 -0.05 0.00 1.28 0.00 0.00 41.25 41.81 1xhh s ASN 48 CO 0.11 0.10 0.51 0.35 -2.04 0.00 0.00 177.10 176.13 1xhh n THR 49 N 3.31 0.00 -2.05 0.54 -2.24 -1.26 -4.93 114.28 107.66 1xhh n THR 49 Ca -0.19 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 60.95 1xhh n THR 49 Cb 0.53 1.06 0.01 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.63 3.17 0.54 6.98 0.00 -1.26 -4.99 121.76 124.57 1xhh s ALA 50 Ca 0.06 -0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.63 1xhh s ALA 50 Cb 0.08 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 1xhh s ALA 50 CO 0.32 -0.62 0.63 0.00 0.00 0.00 0.00 175.76 176.09 1xhh n ALA 51 N -2.64 -0.88 -3.00 0.00 0.00 -1.26 -4.96 120.51 107.76 1xhh n ALA 51 Ca 0.05 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 1xhh n ALA 51 Cb 0.54 -1.88 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.61 3.78 0.19 0.00 1.09 -0.98 -4.87 121.20 118.79 1xhh s ILE 52 Ca 0.68 -0.39 -0.32 0.00 -1.10 0.00 0.00 60.65 59.52 1xhh s ILE 52 Cb -0.47 -2.66 -0.11 0.00 -1.06 0.00 0.00 42.46 38.16 1xhh s ILE 52 CO 0.54 0.49 1.74 -2.16 -0.10 0.00 0.00 174.94 175.45 1xhh s PRO 53 N 0.46 4.13 0.00 2.79 0.04 -1.26 -2.60 135.00 138.56 1xhh s PRO 53 Ca -0.04 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1xhh s PRO 53 Cb -0.14 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1xhh s PRO 53 CO 0.03 -0.76 0.00 0.25 0.04 0.00 0.00 177.00 176.55 1xhh n THR 54 N 4.15 0.00 0.00 1.26 -2.24 -1.24 -4.84 114.28 111.37 1xhh n THR 54 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1xhh n THR 54 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.00 1.52 3.76 3.38 0.00 -1.26 -3.36 105.19 109.23 1xhh n GLY 55 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xhh n GLY 55 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xhh s TYR 56 N -1.47 3.92 -0.79 1.61 1.13 -1.26 -4.70 117.35 115.78 1xhh s TYR 56 Ca 0.00 1.72 -0.29 0.00 -1.41 0.00 0.00 57.07 57.09 1xhh s TYR 56 Cb 0.00 -2.85 -0.16 0.00 -1.10 0.00 0.00 41.96 37.85 1xhh s TYR 56 CO 0.00 0.48 2.58 -3.47 -2.51 0.00 0.00 175.55 172.63 1xhh n ASP 57 N 1.66 1.11 -4.58 -0.18 2.03 -1.26 -4.78 116.55 110.56 1xhh n ASP 57 Ca -0.04 -0.11 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 1xhh n ASP 57 Cb 0.48 -1.19 -0.01 0.00 -0.72 0.00 0.00 41.12 39.68 1xhh n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1xhh s THR 58 N 10.33 4.05 -0.23 5.18 -1.32 -1.26 -4.63 115.64 127.76 1xhh s THR 58 Ca 1.20 -1.71 -0.10 0.00 -1.21 0.00 0.00 61.69 59.87 1xhh s THR 58 Cb -0.81 -5.13 -0.18 0.00 -1.51 0.00 0.00 72.50 64.87 1xhh s THR 58 CO 0.40 -1.93 -0.06 -3.20 -2.21 0.00 0.00 174.62 167.62 1xhh n ASN 59 N 8.96 1.97 -2.69 8.08 5.15 -1.26 -4.90 115.26 130.57 1xhh n ASN 59 Ca 0.47 0.21 -0.06 0.00 -0.60 0.00 0.00 54.58 54.61 1xhh n ASN 59 Cb 0.47 -0.76 0.08 0.00 -0.53 0.00 0.00 39.78 39.04 1xhh n ASN 59 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1xhh n LYS 60 N -3.90 0.41 -4.13 1.20 4.81 -1.26 -5.16 118.16 110.13 1xhh n LYS 60 Ca -0.43 -1.11 -0.12 0.00 -0.87 0.00 0.00 58.31 55.77 1xhh n LYS 60 Cb 0.90 -0.62 -0.07 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 -3.86 1.33 -0.10 0.00 1.11 -0.75 -4.96 119.66 112.43 1xhh s GLN 62 Ca 0.33 -1.72 -0.01 0.00 0.01 0.00 0.00 55.36 53.97 1xhh s GLN 62 Cb 0.03 0.18 -0.03 0.00 -1.01 0.00 0.00 33.01 32.18 1xhh s GLN 62 CO 0.14 -0.42 -0.07 0.15 0.01 0.00 0.00 175.29 175.10 1xhh s LYS 63 N -4.02 3.12 -0.05 2.91 3.01 -1.26 -2.16 119.74 121.29 1xhh s LYS 63 Ca 0.39 -0.57 0.04 0.00 -1.01 0.00 0.00 55.97 54.82 1xhh s LYS 63 Cb 0.06 -2.68 -0.00 0.00 -1.01 0.00 0.00 37.83 34.20 1xhh s LYS 63 CO 0.15 0.46 -0.18 0.42 0.51 0.00 0.00 175.35 176.70 1xhh s ILE 64 N -0.26 1.53 -0.31 2.17 1.01 0.92 -4.95 121.20 121.31 1xhh s ILE 64 Ca 0.03 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 1xhh s ILE 64 Cb -0.13 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1xhh s ILE 64 CO 0.03 0.44 0.66 -0.22 0.00 0.00 0.00 174.94 175.84 1xhh s LEU 65 N 0.11 4.15 -0.40 2.97 1.98 -1.26 0.14 118.68 126.37 1xhh s LEU 65 Ca -0.06 0.42 -0.29 0.00 -2.89 0.00 0.00 54.13 51.31 1xhh s LEU 65 Cb -0.13 -2.86 0.02 0.00 0.66 0.00 0.00 46.19 43.88 1xhh s LEU 65 CO 0.03 -0.53 1.14 0.21 -1.89 0.00 0.00 176.35 175.31 1xhh s ASN 66 N 1.67 6.74 0.21 3.68 3.04 0.22 -4.87 114.94 125.63 1xhh s ASN 66 Ca 0.26 0.75 0.26 0.00 0.04 0.00 0.00 52.86 54.17 1xhh s ASN 66 Cb -0.15 -2.55 0.83 0.00 -1.54 0.00 0.00 41.25 37.85 1xhh s ASN 66 CO 0.13 -1.11 1.77 0.29 -3.04 0.00 0.00 177.10 175.14 1xhh n LYS 67 N 7.46 0.25 -0.11 0.43 5.02 -1.26 -0.81 118.16 129.14 1xhh n LYS 67 Ca 0.12 0.23 -0.05 0.00 -2.02 0.00 0.00 58.31 56.59 1xhh n LYS 67 Cb 0.48 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1xhh n LYS 67 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1xhh h LYS 68 N 0.00 0.15 0.00 1.97 3.64 -1.96 -3.19 116.57 117.17 1xhh h LYS 68 Ca 0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1xhh h LYS 68 Cb 0.71 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.39 1xhh h LYS 68 CO 0.00 0.10 -0.54 0.25 -2.27 0.00 0.00 179.45 176.99 1xhh n THR 69 N -5.13 0.98 -3.30 1.00 -2.24 -1.24 -5.03 114.28 99.31 1xhh n THR 69 Ca 0.02 -1.60 -0.22 0.00 -2.27 0.00 0.00 64.05 59.99 1xhh n THR 69 Cb 0.18 0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.31 0.00 0.02 0.00 -4.23 0.01 -4.95 115.64 104.18 1xhh s THR 71 Ca 0.22 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.94 1xhh s THR 71 Cb -0.04 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1xhh s THR 71 CO 0.83 0.00 -0.03 -0.47 -0.54 0.00 0.00 174.62 174.41 1xhh s TYR 72 N -3.89 2.96 0.22 3.99 6.14 -1.26 0.71 117.35 126.22 1xhh s TYR 72 Ca 0.34 0.00 -0.03 0.00 0.64 0.00 0.00 57.07 58.02 1xhh s TYR 72 Cb 0.04 -1.61 -0.03 0.00 0.42 0.00 0.00 41.96 40.78 1xhh s TYR 72 CO 0.15 0.42 0.23 0.95 0.64 0.00 0.00 175.55 177.95 1xhh s THR 73 N -1.09 0.00 -0.01 4.34 -4.23 0.12 -4.85 115.64 109.92 1xhh s THR 73 Ca 0.20 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 1xhh s THR 73 Cb -0.11 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1xhh s THR 73 CO 0.10 0.00 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.47 1xhh s VAL 74 N -4.05 0.27 0.29 2.29 1.01 -1.26 -0.06 120.40 118.90 1xhh s VAL 74 Ca 0.35 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1xhh s VAL 74 Cb 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 1xhh s VAL 74 CO 0.12 0.10 0.08 0.68 0.00 0.00 0.00 175.10 176.09 1xhh s VAL 75 N 0.16 0.81 -0.16 2.92 -7.23 -0.92 -3.41 120.40 112.57 1xhh s VAL 75 Ca -0.01 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1xhh s VAL 75 Cb -0.04 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1xhh s VAL 75 CO -0.00 0.00 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.96 1xhh s GLU 76 N -3.95 3.29 0.07 4.82 2.12 -1.22 -1.82 118.70 122.01 1xhh s GLU 76 Ca 0.37 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 55.01 1xhh s GLU 76 Cb 0.08 -2.69 0.11 0.00 0.26 0.00 0.00 34.13 31.88 1xhh s GLU 76 CO 0.15 0.03 0.81 1.63 -0.54 0.00 0.00 175.26 177.33 1xhh n LYS 77 N 4.06 0.01 -0.01 4.30 4.76 -1.25 0.22 118.16 130.25 1xhh n LYS 77 Ca -0.19 0.29 0.04 0.00 -2.87 0.00 0.00 58.31 55.57 1xhh n LYS 77 Cb 0.52 -1.86 0.04 0.00 -1.84 0.00 0.00 35.03 31.88 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 -1.38 0.30 -2.86 1.97 4.81 -1.26 -4.80 118.16 114.94 1xhh n LYS 78 Ca -0.00 -1.02 -0.11 0.00 -0.87 0.00 0.00 58.31 56.31 1xhh n LYS 78 Cb 0.32 -1.14 0.02 0.00 0.02 0.00 0.00 35.03 34.24 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xhh n ASP 79 N 0.38 -2.35 0.00 3.14 -0.08 0.59 -4.97 116.55 113.25 1xhh n ASP 79 Ca 0.05 -3.09 0.02 0.00 -1.51 0.00 0.00 54.79 50.25 1xhh n ASP 79 Cb 0.20 1.28 0.11 0.00 2.34 0.00 0.00 41.12 45.05 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 1.88 0.23 -0.07 -0.67 -0.05 -1.17 -2.10 135.00 133.05 1xhh n PRO 80 Ca 0.14 0.00 -0.08 0.00 -0.05 0.00 0.00 63.50 63.51 1xhh n PRO 80 Cb 0.59 -1.25 -0.09 0.00 -0.05 0.00 0.00 33.50 32.70 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 -0.41 -0.48 3.91 0.55 0.00 -1.26 -4.88 105.19 102.62 1xhh n GLY 81 Ca 0.03 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.30 3.40 0.36 1.61 1.02 -0.89 -5.10 119.74 117.83 1xhh s LYS 82 Ca -0.11 -0.49 -0.05 0.00 0.02 0.00 0.00 55.97 55.34 1xhh s LYS 82 Cb 0.04 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 1xhh s LYS 82 CO 0.46 0.59 0.64 0.95 -0.92 0.00 0.00 175.35 177.06 1xhh s THR 83 N -1.55 4.97 0.00 2.17 -4.23 -1.26 -4.03 115.64 111.71 1xhh s THR 83 Ca 0.34 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 1xhh s THR 83 Cb -0.13 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1xhh s THR 83 CO 0.28 -0.50 0.00 0.00 -0.54 0.00 0.00 174.62 173.86 1xhh s ASP 85 N -1.00 6.53 0.29 0.00 2.15 -1.26 -5.01 116.67 118.36 1xhh s ASP 85 Ca 0.00 1.70 0.03 0.00 0.43 0.00 0.00 52.55 54.71 1xhh s ASP 85 Cb 0.00 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.03 1xhh s ASP 85 CO 0.00 -0.65 0.06 -0.69 -0.17 0.00 0.00 175.17 173.72 1xhh s VAL 86 N -2.38 0.97 0.00 1.11 1.01 -1.26 -4.71 120.40 115.14 1xhh s VAL 86 Ca 0.62 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1xhh s VAL 86 Cb -0.12 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1xhh s VAL 86 CO 0.26 -0.07 0.00 0.41 0.00 0.00 0.00 175.10 175.70 1xhh n THR 87 N -0.57 0.00 -0.87 3.92 -1.04 -1.26 -4.76 114.28 109.71 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 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 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 1.04 2.01 3.25 3.41 0.00 -1.21 -5.00 105.19 108.69 1xhh n GLY 88 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.28 -0.08 -0.04 1.61 0.51 -1.26 -3.65 118.94 115.76 1xhh s TRP 89 Ca 0.00 -0.14 -0.01 0.00 -2.12 0.00 0.00 56.10 53.82 1xhh s TRP 89 Cb 0.00 0.10 0.03 0.00 -0.81 0.00 0.00 33.47 32.79 1xhh s TRP 89 CO 0.00 -0.54 0.05 0.08 -0.51 0.00 0.00 176.95 176.02 1xhh s VAL 90 N -3.00 -0.06 -1.30 4.03 1.01 -1.07 -4.87 120.40 115.14 1xhh s VAL 90 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1xhh s VAL 90 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.23 1xhh s VAL 90 CO -0.06 0.16 0.33 -0.11 0.00 0.00 0.00 175.10 175.42