#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxl h ILE 17 N 0.00 1.07 -2.75 -0.61 2.04 -1.97 -3.46 117.51 111.83 1hxl h ILE 17 Ca 0.00 -2.63 -0.55 0.00 1.00 0.00 0.00 64.86 62.69 1hxl h ILE 17 Cb 0.00 2.83 0.07 0.00 -0.74 0.00 0.00 36.82 38.98 1hxl h ILE 17 CO 0.00 0.84 0.86 0.41 0.00 0.00 0.00 178.15 180.26 1hxl n THR 18 N -3.59 0.45 -0.06 -0.27 -1.04 -1.26 -4.81 114.28 103.70 1hxl n THR 18 Ca -0.21 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1hxl n THR 18 Cb 1.08 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1hxl n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hxl n GLY 19 N 3.02 0.96 3.75 3.41 0.00 -0.16 -5.00 105.19 111.18 1hxl n GLY 19 Ca 0.13 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 1hxl n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hxl s THR 20 N -2.51 5.42 0.12 2.61 2.01 -1.26 -1.42 115.64 120.61 1hxl s THR 20 Ca 0.00 0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.29 1hxl s THR 20 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1hxl s THR 20 CO 0.00 0.46 -0.22 0.26 -0.69 0.00 0.00 174.62 174.44 1hxl s TRP 21 N 0.17 1.89 -0.02 4.92 0.52 0.27 -4.62 118.94 122.08 1hxl s TRP 21 Ca 0.09 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 55.84 1hxl s TRP 21 Cb -0.11 -1.02 -0.01 0.00 -1.15 0.00 0.00 33.47 31.18 1hxl s TRP 21 CO -0.01 0.25 -0.14 0.71 0.02 0.00 0.00 176.95 177.79 1hxl s TYR 22 N -1.28 1.28 0.35 -1.98 2.02 -0.05 -0.21 117.35 117.48 1hxl s TYR 22 Ca 0.09 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 1hxl s TYR 22 Cb -0.09 -0.84 0.05 0.00 -0.40 0.00 0.00 41.96 40.68 1hxl s TYR 22 CO 0.05 -0.05 0.41 0.27 -1.57 0.00 0.00 175.55 174.66 1hxl n ASN 23 N 2.87 1.57 -0.16 2.29 6.94 -1.06 -0.76 115.26 126.95 1hxl n ASN 23 Ca -0.15 -2.03 0.14 0.00 -0.02 0.00 0.00 54.58 52.52 1hxl n ASN 23 Cb 0.55 -0.18 0.53 0.00 -2.36 0.00 0.00 39.78 38.32 1hxl n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hxl n GLN 24 N -1.61 0.73 0.00 -3.83 3.00 -1.25 -3.85 117.38 110.57 1hxl n GLN 24 Ca 0.06 -0.32 0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1hxl n GLN 24 Cb 0.38 -1.49 0.26 0.00 0.00 0.00 0.00 30.24 29.39 1hxl n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1hxl n LEU 25 N -0.85 1.95 0.00 1.08 4.77 -1.26 -4.95 117.00 117.74 1hxl n LEU 25 Ca 0.14 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1hxl n LEU 25 Cb 0.30 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1hxl n LEU 25 CO 0.24 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1hxl n GLY 26 N 1.31 1.45 3.56 -0.72 0.00 -1.25 -5.04 105.19 104.49 1hxl n GLY 26 Ca 0.14 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1hxl n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hxl s SER 27 N -2.29 4.26 -0.07 1.61 0.01 -1.26 -1.85 113.70 114.10 1hxl s SER 27 Ca 0.00 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.83 1hxl s SER 27 Cb 0.00 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.47 1hxl s SER 27 CO 0.00 0.16 -0.20 -0.89 0.41 0.00 0.00 173.24 172.71 1hxl s THR 28 N -1.34 2.46 -0.21 1.44 2.01 0.47 -2.56 115.64 117.91 1hxl s THR 28 Ca 0.22 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1hxl s THR 28 Cb -0.10 -1.94 0.04 0.00 0.01 0.00 0.00 72.50 70.51 1hxl s THR 28 CO 0.13 0.56 -0.13 0.12 -0.69 0.00 0.00 174.62 174.61 1hxl s PHE 29 N -0.13 2.82 -0.21 4.92 5.36 0.71 -0.77 117.98 130.67 1hxl s PHE 29 Ca -0.03 -1.86 -0.04 0.00 -0.96 0.00 0.00 56.93 54.04 1hxl s PHE 29 Cb -0.14 -1.82 -0.01 0.00 -0.34 0.00 0.00 43.02 40.71 1hxl s PHE 29 CO 0.04 -0.81 -0.05 0.42 -1.46 0.00 0.00 175.22 173.36 1hxl s ILE 30 N 1.26 3.39 0.04 3.12 1.01 -0.49 0.95 121.20 130.48 1hxl s ILE 30 Ca -0.02 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 1hxl s ILE 30 Cb -0.17 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1hxl s ILE 30 CO -0.09 0.43 -0.03 0.54 0.00 0.00 0.00 174.94 175.80 1hxl s VAL 31 N 1.34 0.19 -0.13 2.92 0.11 -0.50 -0.95 120.40 123.38 1hxl s VAL 31 Ca 0.04 -1.37 0.02 0.00 -2.93 0.00 0.00 61.98 57.74 1hxl s VAL 31 Cb -0.14 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1hxl s VAL 31 CO -0.02 -0.74 -0.17 -0.89 -3.33 0.00 0.00 175.10 169.94 1hxl s THR 32 N -2.68 1.69 -0.34 5.04 2.01 0.32 -0.99 115.64 120.69 1hxl s THR 32 Ca -0.04 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 1hxl s THR 32 Cb -0.01 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 1hxl s THR 32 CO -0.05 0.48 0.43 0.00 -0.69 0.00 0.00 174.62 174.79 1hxl s ALA 33 N 1.03 3.49 0.59 7.40 0.00 -1.26 -2.14 121.76 130.87 1hxl s ALA 33 Ca -0.04 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1hxl s ALA 33 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1hxl s ALA 33 CO -0.04 -1.13 0.99 0.20 0.00 0.00 0.00 175.76 175.79 1hxl s GLY 34 N 1.74 1.69 0.53 0.00 0.00 0.91 -4.90 107.32 107.29 1hxl s GLY 34 Ca 0.15 -0.11 0.29 0.00 0.00 0.00 0.00 44.72 45.05 1hxl s GLY 34 CO 0.12 0.15 2.07 0.00 0.00 0.00 0.00 173.10 175.44 1hxl h ALA 35 N -0.10 1.22 -0.02 3.20 0.00 -1.97 -2.52 119.26 119.07 1hxl h ALA 35 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1hxl h ALA 35 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1hxl h ALA 35 CO 0.62 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 1hxl n ASP 36 N -3.54 0.48 0.00 0.00 3.85 -1.26 -4.88 116.55 111.21 1hxl n ASP 36 Ca -0.02 -1.24 0.00 0.00 -0.71 0.00 0.00 54.79 52.83 1hxl n ASP 36 Cb 0.24 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 1hxl n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hxl n GLY 37 N 1.02 0.76 3.83 6.12 0.00 -0.95 -4.96 105.19 111.01 1hxl n GLY 37 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1hxl n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxl s ALA 38 N -2.13 3.45 -0.12 4.61 0.00 -1.25 -0.98 121.76 125.33 1hxl s ALA 38 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1hxl s ALA 38 Cb 0.00 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1hxl s ALA 38 CO 0.00 0.37 -0.19 -0.51 0.00 0.00 0.00 175.76 175.43 1hxl s LEU 39 N -2.16 1.96 0.01 0.00 1.43 -0.39 -0.06 118.68 119.46 1hxl s LEU 39 Ca 0.43 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1hxl s LEU 39 Cb -0.15 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 1hxl s LEU 39 CO 0.20 0.06 -0.04 0.42 0.23 0.00 0.00 176.35 177.22 1hxl s THR 40 N 0.84 0.30 -1.56 5.49 -4.23 -0.91 -0.94 115.64 114.63 1hxl s THR 40 Ca -0.08 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1hxl s THR 40 Cb -0.15 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.39 1hxl s THR 40 CO -0.01 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1hxl n GLY 41 N 2.61 -0.59 2.99 3.99 0.00 -0.94 -0.52 105.19 112.73 1hxl n GLY 41 Ca -0.15 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 1hxl n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hxl s THR 42 N -3.32 0.48 -0.16 2.61 -4.23 -0.13 -1.72 115.64 109.18 1hxl s THR 42 Ca 0.00 -0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 60.05 1hxl s THR 42 Cb 0.00 -0.45 -0.01 0.00 1.34 0.00 0.00 72.50 73.38 1hxl s THR 42 CO 0.00 0.01 -0.11 -0.47 -0.54 0.00 0.00 174.62 173.51 1hxl s TYR 43 N -0.43 2.86 0.30 3.99 6.14 0.32 -1.40 117.35 129.12 1hxl s TYR 43 Ca -0.01 -0.80 -0.01 0.00 0.64 0.00 0.00 57.07 56.90 1hxl s TYR 43 Cb -0.04 -1.93 -0.02 0.00 0.42 0.00 0.00 41.96 40.39 1hxl s TYR 43 CO -0.00 -0.35 0.35 -1.83 0.64 0.00 0.00 175.55 174.36 1hxl s GLU 44 N 0.76 1.68 0.83 4.97 -1.05 0.05 -0.62 118.70 125.32 1hxl s GLU 44 Ca -0.04 -1.74 -0.12 0.00 -0.15 0.00 0.00 54.97 52.91 1hxl s GLU 44 Cb -0.15 0.38 0.09 0.00 -0.44 0.00 0.00 34.13 34.01 1hxl s GLU 44 CO 0.01 -0.65 1.15 -1.54 0.95 0.00 0.00 175.26 175.19 1hxl s SER 45 N -3.23 4.25 0.31 0.83 1.04 -1.23 -0.39 113.70 115.27 1hxl s SER 45 Ca 0.34 0.91 0.01 0.00 0.48 0.00 0.00 55.95 57.70 1hxl s SER 45 Cb 0.02 -1.48 0.55 0.00 0.10 0.00 0.00 66.02 65.22 1hxl s SER 45 CO 0.19 -2.08 1.91 0.00 0.98 0.00 0.00 173.24 174.24 1hxl h ALA 46 N -1.17 1.54 -0.44 5.32 0.00 -1.70 -1.98 119.26 120.82 1hxl h ALA 46 Ca -0.48 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 1hxl h ALA 46 Cb 1.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1hxl h ALA 46 CO 0.64 0.33 -0.25 0.28 0.00 0.00 0.00 179.25 180.24 1hxl h VAL 47 N 1.00 1.27 0.00 0.00 2.07 -1.92 -3.48 116.25 115.18 1hxl h VAL 47 Ca 0.38 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1hxl h VAL 47 Cb 0.22 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1hxl h VAL 47 CO -0.14 0.48 0.00 0.61 0.02 0.00 0.00 177.57 178.54 1hxl n GLY 48 N -0.08 0.50 3.75 2.17 0.00 -0.75 -5.04 105.19 105.74 1hxl n GLY 48 Ca -0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 1hxl n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hxl s ASN 49 N -2.73 5.06 0.35 1.61 2.20 -1.26 -4.90 114.94 115.27 1hxl s ASN 49 Ca 0.00 2.46 0.10 0.00 -0.94 0.00 0.00 52.86 54.48 1hxl s ASN 49 Cb 0.00 -2.60 0.86 0.00 -2.00 0.00 0.00 41.25 37.51 1hxl s ASN 49 CO 0.00 -1.68 1.82 0.00 -2.94 0.00 0.00 177.10 174.29 1hxl h ALA 50 N 0.84 1.88 0.00 3.54 0.00 -1.97 -1.02 119.26 122.52 1hxl h ALA 50 Ca -0.51 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1hxl h ALA 50 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1hxl h ALA 50 CO 0.55 -0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.99 1hxl n GLU 51 N -4.64 0.16 -0.30 0.00 4.71 -1.26 -2.87 120.64 116.44 1hxl n GLU 51 Ca 0.21 0.33 0.08 0.00 -0.01 0.00 0.00 57.16 57.77 1hxl n GLU 51 Cb 0.60 -1.77 0.23 0.00 -1.01 0.00 0.00 31.44 29.49 1hxl n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1hxl n SER 52 N -2.06 3.50 -4.76 1.62 3.41 -0.39 -4.75 113.62 110.19 1hxl n SER 52 Ca 0.03 -2.13 -0.36 0.00 -0.26 0.00 0.00 58.87 56.15 1hxl n SER 52 Cb 0.26 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 1hxl n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hxl s ARG 53 N -1.23 4.08 0.04 4.33 0.52 -1.14 -3.52 118.95 122.03 1hxl s ARG 53 Ca 0.35 -0.02 0.04 0.00 -0.52 0.00 0.00 55.73 55.58 1hxl s ARG 53 Cb 0.20 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 1hxl s ARG 53 CO 0.21 0.38 -0.13 0.71 0.02 0.00 0.00 175.30 176.49 1hxl s TYR 54 N 0.09 1.13 0.31 -0.53 1.51 0.21 -4.80 117.35 115.27 1hxl s TYR 54 Ca 0.14 -0.36 -0.29 0.00 -1.01 0.00 0.00 57.07 55.56 1hxl s TYR 54 Cb -0.12 -0.67 -0.10 0.00 -0.11 0.00 0.00 41.96 40.96 1hxl s TYR 54 CO 0.03 0.02 1.15 0.08 -1.11 0.00 0.00 175.55 175.72 1hxl s VAL 55 N -0.88 3.29 0.02 0.71 1.01 -1.26 -0.52 120.40 122.76 1hxl s VAL 55 Ca 0.00 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.29 1hxl s VAL 55 Cb -0.08 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1hxl s VAL 55 CO 0.01 0.27 -0.13 -1.48 0.00 0.00 0.00 175.10 173.77 1hxl s LEU 56 N -1.70 2.12 -0.03 3.92 0.05 -0.70 -4.35 118.68 117.99 1hxl s LEU 56 Ca 0.47 -0.37 -0.04 0.00 0.05 0.00 0.00 54.13 54.25 1hxl s LEU 56 Cb -0.33 -0.61 0.01 0.00 -2.05 0.00 0.00 46.19 43.20 1hxl s LEU 56 CO 0.43 0.07 0.09 0.28 -0.55 0.00 0.00 176.35 176.67 1hxl s THR 57 N -0.65 0.02 0.00 5.48 -1.32 -0.99 -2.21 115.64 115.96 1hxl s THR 57 Ca 0.03 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1hxl s THR 57 Cb -0.07 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.73 1hxl s THR 57 CO 0.01 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1hxl n GLY 58 N 2.68 2.23 3.12 6.08 0.00 -0.11 -0.71 105.19 118.49 1hxl n GLY 58 Ca -0.15 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1hxl n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hxl s ARG 59 N -0.84 0.61 0.14 1.61 1.81 -0.45 -1.26 118.95 120.57 1hxl s ARG 59 Ca 0.00 -0.77 -0.09 0.00 -1.72 0.00 0.00 55.73 53.16 1hxl s ARG 59 Cb 0.00 0.24 -0.01 0.00 -0.45 0.00 0.00 34.95 34.73 1hxl s ARG 59 CO 0.00 -0.16 0.25 1.52 -0.68 0.00 0.00 175.30 176.23 1hxl s TYR 60 N -2.71 0.33 -0.49 -0.53 1.13 -0.15 -1.62 117.35 113.31 1hxl s TYR 60 Ca -0.04 -0.72 -0.29 0.00 -1.41 0.00 0.00 57.07 54.62 1hxl s TYR 60 Cb -0.01 -0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.80 1hxl s TYR 60 CO -0.05 -0.65 1.28 0.34 -2.51 0.00 0.00 175.55 173.95 1hxl s ASP 61 N -2.93 6.43 0.00 -0.18 -1.08 -0.45 -4.61 116.67 113.83 1hxl s ASP 61 Ca 0.13 0.49 0.23 0.00 -0.52 0.00 0.00 52.55 52.89 1hxl s ASP 61 Cb 0.04 -2.55 1.30 0.00 -1.46 0.00 0.00 42.92 40.25 1hxl s ASP 61 CO -0.04 -1.42 1.85 -1.54 0.52 0.00 0.00 175.17 174.54 1hxl n SER 62 N 8.54 0.26 -3.04 -0.34 3.41 -1.26 -4.01 113.62 117.18 1hxl n SER 62 Ca 0.13 -1.33 -0.16 0.00 -0.26 0.00 0.00 58.87 57.24 1hxl n SER 62 Cb 0.49 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1hxl n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hxl n ALA 63 N -0.68 1.13 -0.74 7.33 0.00 -1.26 -5.04 120.51 121.25 1hxl n ALA 63 Ca 0.17 -2.77 -0.29 0.00 0.00 0.00 0.00 53.44 50.56 1hxl n ALA 63 Cb 0.12 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 18.79 1hxl n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1hxl s PRO 64 N -1.22 -0.26 0.76 0.00 0.04 -1.26 -4.99 135.00 128.07 1hxl s PRO 64 Ca 0.34 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 1hxl s PRO 64 Cb 0.28 -1.63 0.05 0.00 0.04 0.00 0.00 34.50 33.25 1hxl s PRO 64 CO -0.10 -3.29 1.11 0.00 0.04 0.00 0.00 177.00 174.77 1hxl s ALA 65 N -2.62 2.18 -0.68 8.56 0.00 -1.26 -4.96 121.76 122.99 1hxl s ALA 65 Ca 0.67 0.44 0.15 0.00 0.00 0.00 0.00 51.96 53.22 1hxl s ALA 65 Cb -0.23 -3.33 0.51 0.00 0.00 0.00 0.00 23.12 20.07 1hxl s ALA 65 CO 0.62 -1.80 1.43 0.25 0.00 0.00 0.00 175.76 176.25 1hxl n THR 66 N -3.28 1.74 0.26 0.00 -2.24 -1.26 -4.51 114.28 104.99 1hxl n THR 66 Ca 0.10 -1.39 0.05 0.00 -2.27 0.00 0.00 64.05 60.54 1hxl n THR 66 Cb 0.52 0.10 0.21 0.00 -2.10 0.00 0.00 70.33 69.06 1hxl n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hxl n ASP 67 N 0.28 3.03 0.00 3.42 5.68 -1.26 -4.85 116.55 122.85 1hxl n ASP 67 Ca 0.19 -2.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 1hxl n ASP 67 Cb 0.74 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1hxl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hxl n GLY 68 N 0.69 0.79 3.85 6.12 0.00 -1.26 -5.07 105.19 110.30 1hxl n GLY 68 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1hxl n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hxl s SER 69 N -2.28 6.10 1.03 1.61 0.01 -1.26 -5.06 113.70 113.85 1hxl s SER 69 Ca 0.00 1.54 -0.16 0.00 1.31 0.00 0.00 55.95 58.64 1hxl s SER 69 Cb 0.00 -2.49 0.22 0.00 0.21 0.00 0.00 66.02 63.95 1hxl s SER 69 CO 0.00 -0.95 1.22 -0.83 0.41 0.00 0.00 173.24 173.09 1hxl s GLY 70 N -3.67 1.68 -0.30 3.44 0.00 -1.26 -4.80 107.32 102.40 1hxl s GLY 70 Ca 0.58 -1.00 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 1hxl s GLY 70 CO 0.47 -0.23 0.12 -1.59 0.00 0.00 0.00 173.10 171.86 1hxl s THR 71 N -3.50 4.27 0.34 0.90 2.01 -0.30 -4.73 115.64 114.63 1hxl s THR 71 Ca 0.71 -0.58 -0.28 0.00 0.31 0.00 0.00 61.69 61.85 1hxl s THR 71 Cb -0.08 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 1hxl s THR 71 CO 0.54 0.06 1.27 0.00 -0.69 0.00 0.00 174.62 175.80 1hxl s ALA 72 N 1.55 3.44 0.30 7.40 0.00 -1.26 -0.74 121.76 132.44 1hxl s ALA 72 Ca 0.03 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 1hxl s ALA 72 Cb -0.17 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1hxl s ALA 72 CO 0.04 -0.59 0.71 -0.48 0.00 0.00 0.00 175.76 175.44 1hxl s LEU 73 N -1.86 -0.13 -0.14 0.00 0.05 -0.34 -1.35 118.68 114.92 1hxl s LEU 73 Ca 0.50 -0.76 -0.30 0.00 0.05 0.00 0.00 54.13 53.62 1hxl s LEU 73 Cb -0.38 2.64 0.12 0.00 -2.05 0.00 0.00 46.19 46.52 1hxl s LEU 73 CO 0.50 -1.39 1.00 -0.83 -0.55 0.00 0.00 176.35 175.07 1hxl s GLY 74 N -2.96 -0.29 0.18 -3.48 0.00 -0.64 -1.87 107.32 98.25 1hxl s GLY 74 Ca 0.13 1.86 -0.12 0.00 0.00 0.00 0.00 44.72 46.60 1hxl s GLY 74 CO 0.08 0.90 0.37 0.66 0.00 0.00 0.00 173.10 175.11 1hxl s TRP 75 N -1.48 0.26 0.04 1.90 -2.14 -0.68 -1.34 118.94 115.50 1hxl s TRP 75 Ca -0.00 -0.62 0.05 0.00 2.66 0.00 0.00 56.10 58.19 1hxl s TRP 75 Cb -0.01 0.09 -0.02 0.00 -3.10 0.00 0.00 33.47 30.43 1hxl s TRP 75 CO -0.00 -0.80 -0.14 0.99 -2.66 0.00 0.00 176.95 174.34 1hxl s THR 76 N -3.95 1.09 -0.06 0.66 2.01 0.12 -1.23 115.64 114.28 1hxl s THR 76 Ca 0.16 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 1hxl s THR 76 Cb 0.02 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.56 1hxl s THR 76 CO 0.00 -0.03 0.01 -0.69 -0.69 0.00 0.00 174.62 173.23 1hxl s VAL 77 N -0.90 0.29 -0.13 3.82 1.01 -0.36 -2.35 120.40 121.78 1hxl s VAL 77 Ca 0.01 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 1hxl s VAL 77 Cb -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1hxl s VAL 77 CO 0.01 0.24 0.39 0.00 0.00 0.00 0.00 175.10 175.74 1hxl s ALA 78 N 1.92 3.53 -0.76 5.51 0.00 -1.26 -1.05 121.76 129.65 1hxl s ALA 78 Ca 0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 1hxl s ALA 78 Cb -0.12 -2.52 -0.17 0.00 0.00 0.00 0.00 23.12 20.31 1hxl s ALA 78 CO -0.05 0.06 3.10 0.91 0.00 0.00 0.00 175.76 179.79 1hxl n TRP 79 N 3.57 1.13 -3.90 0.00 7.02 -0.03 -4.77 117.44 120.46 1hxl n TRP 79 Ca -0.09 -2.16 -0.15 0.00 -1.02 0.00 0.00 57.50 54.08 1hxl n TRP 79 Cb 0.52 -1.94 -0.15 0.00 -2.42 0.00 0.00 31.31 27.32 1hxl n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1hxl s LYS 80 N 1.78 0.14 0.00 -0.99 2.20 -1.26 -0.89 119.74 120.71 1hxl s LYS 80 Ca 0.63 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1hxl s LYS 80 Cb 0.23 -0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1hxl s LYS 80 CO -0.03 -0.07 0.00 0.27 -0.36 0.00 0.00 175.35 175.16 1hxl n ASN 81 N 3.67 0.27 0.00 1.43 0.23 -0.42 -4.76 115.26 115.69 1hxl n ASN 81 Ca -0.21 -0.74 0.11 0.00 -0.53 0.00 0.00 54.58 53.22 1hxl n ASN 81 Cb 0.54 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.90 1hxl n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1hxl n ASN 82 N -2.01 0.00 -0.01 0.53 3.02 -1.26 -3.71 115.26 111.82 1hxl n ASN 82 Ca 0.00 -0.56 -0.01 0.00 -0.03 0.00 0.00 54.58 53.98 1hxl n ASN 82 Cb 0.00 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 1hxl n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1hxl n TYR 83 N -1.07 0.00 -4.07 3.10 4.01 -1.26 -5.10 117.16 112.77 1hxl n TYR 83 Ca 0.16 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.81 1hxl n TYR 83 Cb 0.10 -0.10 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 1hxl n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1hxl s ARG 84 N -2.05 0.86 -0.16 -0.72 0.52 -1.24 -5.14 118.95 111.02 1hxl s ARG 84 Ca -0.02 -1.28 -0.05 0.00 -0.52 0.00 0.00 55.73 53.86 1hxl s ARG 84 Cb 0.01 0.26 0.08 0.00 0.52 0.00 0.00 34.95 35.82 1hxl s ARG 84 CO 0.08 -0.24 0.32 1.21 0.02 0.00 0.00 175.30 176.68 1hxl s ASN 85 N -2.98 0.19 0.00 0.23 3.84 -1.26 -1.30 114.94 113.66 1hxl s ASN 85 Ca 0.16 0.67 0.19 0.00 0.21 0.00 0.00 52.86 54.10 1hxl s ASN 85 Cb 0.07 0.93 0.50 0.00 -0.55 0.00 0.00 41.25 42.20 1hxl s ASN 85 CO -0.03 -0.24 1.42 0.00 -2.79 0.00 0.00 177.10 175.45 1hxl n ALA 86 N 5.36 2.34 -4.02 1.71 0.00 -0.07 -4.99 120.51 120.84 1hxl n ALA 86 Ca -0.07 -1.18 -0.39 0.00 0.00 0.00 0.00 53.44 51.80 1hxl n ALA 86 Cb 0.50 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1hxl n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hxl n HIS 87 N 1.32 -1.50 -3.71 0.00 8.25 -1.26 -4.87 115.22 113.45 1hxl n HIS 87 Ca 0.20 0.29 -0.06 0.00 -0.26 0.00 0.00 57.72 57.88 1hxl n HIS 87 Cb 0.56 -3.01 -0.02 0.00 1.12 0.00 0.00 29.99 28.64 1hxl n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1hxl s SER 88 N -3.72 -0.28 -0.07 0.41 1.04 -1.26 -1.20 113.70 108.62 1hxl s SER 88 Ca 0.37 -0.36 -0.12 0.00 0.48 0.00 0.00 55.95 56.33 1hxl s SER 88 Cb -0.19 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1hxl s SER 88 CO 0.95 -1.01 0.30 0.00 0.98 0.00 0.00 173.24 174.45 1hxl s ALA 89 N -3.52 -0.74 -0.01 5.32 0.00 -0.35 -0.85 121.76 121.62 1hxl s ALA 89 Ca 0.09 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.71 1hxl s ALA 89 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1hxl s ALA 89 CO 0.00 -0.19 -0.24 0.99 0.00 0.00 0.00 175.76 176.32 1hxl s THR 90 N -0.53 1.86 -0.05 0.00 2.01 -0.21 -1.14 115.64 117.59 1hxl s THR 90 Ca -0.06 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 60.95 1hxl s THR 90 Cb -0.04 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1hxl s THR 90 CO 0.02 0.50 -0.22 0.42 -0.69 0.00 0.00 174.62 174.65 1hxl s THR 91 N -0.58 1.79 -0.12 -0.82 -4.23 -0.54 -1.22 115.64 109.93 1hxl s THR 91 Ca 0.09 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.67 1hxl s THR 91 Cb -0.09 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 1hxl s THR 91 CO -0.01 0.50 -0.10 0.26 -0.54 0.00 0.00 174.62 174.74 1hxl s TRP 92 N -0.11 2.87 -0.07 3.99 0.51 -0.36 -1.27 118.94 124.50 1hxl s TRP 92 Ca -0.03 -0.42 0.03 0.00 -2.12 0.00 0.00 56.10 53.56 1hxl s TRP 92 Cb -0.13 -1.84 0.01 0.00 -0.81 0.00 0.00 33.47 30.70 1hxl s TRP 92 CO 0.03 -0.06 -0.15 0.45 -0.51 0.00 0.00 176.95 176.70 1hxl s SER 93 N 0.11 2.10 0.00 2.95 0.15 -0.05 -1.69 113.70 117.28 1hxl s SER 93 Ca -0.04 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1hxl s SER 93 Cb -0.14 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1hxl s SER 93 CO 0.04 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1hxl n GLY 94 N 3.69 0.94 3.10 9.45 0.00 -0.78 -1.37 105.19 120.22 1hxl n GLY 94 Ca -0.22 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1hxl n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hxl s GLN 95 N 1.55 0.47 -0.05 1.61 -2.07 -0.70 -1.19 119.66 119.28 1hxl s GLN 95 Ca 0.00 -0.39 -0.15 0.00 -1.82 0.00 0.00 55.36 53.00 1hxl s GLN 95 Cb 0.00 0.20 -0.05 0.00 -1.09 0.00 0.00 33.01 32.06 1hxl s GLN 95 CO 0.00 -0.11 0.38 -0.47 -1.32 0.00 0.00 175.29 173.77 1hxl s TYR 96 N -1.35 3.64 -0.17 9.60 5.04 0.08 -1.69 117.35 132.50 1hxl s TYR 96 Ca -0.14 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 1hxl s TYR 96 Cb -0.08 -2.31 0.03 0.00 0.35 0.00 0.00 41.96 39.95 1hxl s TYR 96 CO 0.01 0.51 -0.10 0.08 -1.34 0.00 0.00 175.55 174.71 1hxl s VAL 97 N -0.55 1.44 0.39 3.14 1.01 0.14 -1.15 120.40 124.82 1hxl s VAL 97 Ca 0.22 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1hxl s VAL 97 Cb -0.15 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 34.83 1hxl s VAL 97 CO 0.11 0.27 0.50 0.61 0.00 0.00 0.00 175.10 176.58 1hxl n GLY 98 N 4.78 -1.43 0.00 4.51 0.00 -1.26 -1.24 105.19 110.54 1hxl n GLY 98 Ca -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1hxl n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxl n GLY 99 N 1.42 0.92 0.37 -0.02 0.00 -1.26 -4.42 105.19 102.19 1hxl n GLY 99 Ca 0.06 -2.25 0.12 0.00 0.00 0.00 0.00 46.02 43.94 1hxl n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxl h ALA 100 N 0.00 1.72 -1.99 4.61 0.00 -2.07 -2.12 119.26 119.42 1hxl h ALA 100 Ca 0.00 0.04 -0.66 0.00 0.00 0.00 0.00 54.91 54.29 1hxl h ALA 100 Cb 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 17.79 17.29 1hxl h ALA 100 CO 0.00 -0.01 -0.13 -1.91 0.00 0.00 0.00 179.25 177.19 1hxl n GLU 101 N -4.64 3.85 -1.82 0.00 0.00 -1.26 -5.06 120.64 111.71 1hxl n GLU 101 Ca 0.20 -4.79 -0.37 0.00 0.00 0.00 0.00 57.16 52.19 1hxl n GLU 101 Cb 0.49 -2.31 0.05 0.00 0.00 0.00 0.00 31.44 29.67 1hxl n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1hxl s ALA 102 N -3.63 2.56 0.18 4.31 0.00 -0.80 -4.95 121.76 119.42 1hxl s ALA 102 Ca 0.45 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.39 1hxl s ALA 102 Cb 0.24 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.88 1hxl s ALA 102 CO -0.12 -1.43 0.67 -0.98 0.00 0.00 0.00 175.76 173.90 1hxl s ARG 103 N -3.21 1.39 -0.21 0.00 3.03 -0.37 -4.19 118.95 115.39 1hxl s ARG 103 Ca 0.78 -0.62 0.01 0.00 2.03 0.00 0.00 55.73 57.93 1hxl s ARG 103 Cb -0.37 0.57 0.04 0.00 -1.03 0.00 0.00 34.95 34.17 1hxl s ARG 103 CO 0.41 -0.62 -0.12 0.42 -1.13 0.00 0.00 175.30 174.26 1hxl s ILE 104 N -3.74 1.83 -0.25 4.99 1.01 -0.43 -0.69 121.20 123.93 1hxl s ILE 104 Ca 0.05 -1.16 -0.14 0.00 0.00 0.00 0.00 60.65 59.40 1hxl s ILE 104 Cb -0.02 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1hxl s ILE 104 CO -0.06 0.17 0.30 0.20 0.00 0.00 0.00 174.94 175.55 1hxl s ASN 105 N 1.31 6.23 0.21 3.58 0.02 -0.68 -1.10 114.94 124.51 1hxl s ASN 105 Ca -0.02 0.26 0.01 0.00 -1.02 0.00 0.00 52.86 52.09 1hxl s ASN 105 Cb -0.17 -2.18 -0.05 0.00 0.02 0.00 0.00 41.25 38.88 1hxl s ASN 105 CO -0.08 -0.08 0.06 0.42 0.02 0.00 0.00 177.10 177.44 1hxl s THR 106 N 1.60 0.50 0.00 1.60 -4.23 -0.24 -1.72 115.64 113.15 1hxl s THR 106 Ca 0.13 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1hxl s THR 106 Cb -0.15 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1hxl s THR 106 CO 0.08 -0.22 -0.09 -1.10 -0.54 0.00 0.00 174.62 172.76 1hxl s GLN 107 N -4.01 0.70 0.20 3.99 -0.21 -0.47 -2.09 119.66 117.77 1hxl s GLN 107 Ca 0.32 -0.38 0.05 0.00 0.02 0.00 0.00 55.36 55.37 1hxl s GLN 107 Cb 0.07 -0.66 -0.05 0.00 1.00 0.00 0.00 33.01 33.37 1hxl s GLN 107 CO 0.09 0.18 -0.07 1.67 -2.12 0.00 0.00 175.29 175.03 1hxl s TRP 108 N -0.35 1.52 -0.10 0.91 1.48 -0.16 -0.87 118.94 121.37 1hxl s TRP 108 Ca 0.02 -0.77 -0.00 0.00 -1.06 0.00 0.00 56.10 54.29 1hxl s TRP 108 Cb -0.04 -0.80 0.02 0.00 -1.16 0.00 0.00 33.47 31.49 1hxl s TRP 108 CO -0.00 0.12 -0.07 -0.51 -4.06 0.00 0.00 176.95 172.43 1hxl s LEU 109 N -3.27 1.17 -0.30 -4.66 1.43 -0.40 -1.90 118.68 110.76 1hxl s LEU 109 Ca 0.23 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1hxl s LEU 109 Cb 0.03 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.52 1hxl s LEU 109 CO 0.05 -0.10 0.04 -0.22 0.23 0.00 0.00 176.35 176.35 1hxl s LEU 110 N 1.55 3.83 -0.13 1.79 2.96 -0.03 -1.46 118.68 127.18 1hxl s LEU 110 Ca 0.01 -0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 52.94 1hxl s LEU 110 Cb -0.13 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1hxl s LEU 110 CO -0.06 -0.22 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.82 1hxl s THR 111 N 1.39 3.90 0.05 3.68 2.01 -0.29 -0.65 115.64 125.73 1hxl s THR 111 Ca -0.00 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1hxl s THR 111 Cb -0.18 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1hxl s THR 111 CO 0.00 0.53 0.05 -0.44 -0.69 0.00 0.00 174.62 174.07 1hxl s SER 112 N 0.00 5.39 -0.00 3.53 0.01 -0.31 -1.21 113.70 121.11 1hxl s SER 112 Ca 0.01 -0.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 1hxl s SER 112 Cb -0.13 -1.43 -0.05 0.00 0.21 0.00 0.00 66.02 64.61 1hxl s SER 112 CO 0.03 0.21 1.39 -0.83 0.41 0.00 0.00 173.24 174.45 1hxl s GLY 113 N -2.10 1.87 0.28 3.44 0.00 -0.34 -4.87 107.32 105.61 1hxl s GLY 113 Ca 0.26 0.87 0.02 0.00 0.00 0.00 0.00 44.72 45.87 1hxl s GLY 113 CO 0.18 2.49 0.12 -0.51 0.00 0.00 0.00 173.10 175.38 1hxl s THR 114 N 2.36 0.49 0.80 0.90 -4.23 -1.26 -5.01 115.64 109.69 1hxl s THR 114 Ca 0.63 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 1hxl s THR 114 Cb -0.31 -2.58 0.08 0.00 1.34 0.00 0.00 72.50 71.03 1hxl s THR 114 CO 0.26 0.00 1.16 0.42 -0.54 0.00 0.00 174.62 175.92 1hxl s THR 115 N -3.67 2.05 0.29 3.99 -4.23 -1.26 -4.86 115.64 107.95 1hxl s THR 115 Ca 0.36 -0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1hxl s THR 115 Cb 0.07 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.14 1hxl s THR 115 CO 0.15 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 175.83 1hxl h GLU 116 N -1.00 1.01 0.00 3.99 4.39 -2.01 -2.06 114.58 118.90 1hxl h GLU 116 Ca -0.46 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.10 1hxl h GLU 116 Cb 1.32 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1hxl h GLU 116 CO 0.63 0.73 -0.23 0.00 -1.16 0.00 0.00 179.01 178.98 1hxl h ALA 117 N 1.44 1.47 -0.32 3.43 0.00 -2.07 -2.79 119.26 120.42 1hxl h ALA 117 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1hxl h ALA 117 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1hxl h ALA 117 CO -0.05 0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.58 1hxl n ASN 118 N -4.05 3.20 0.02 0.00 3.02 -0.94 -4.55 115.26 111.96 1hxl n ASN 118 Ca -0.02 -1.93 0.13 0.00 -0.03 0.00 0.00 54.58 52.73 1hxl n ASN 118 Cb 0.30 -0.20 0.58 0.00 -0.61 0.00 0.00 39.78 39.84 1hxl n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hxl h ALA 119 N 3.94 2.12 0.00 5.41 0.00 -1.10 -2.07 119.26 127.56 1hxl h ALA 119 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1hxl h ALA 119 Cb 0.90 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1hxl h ALA 119 CO 0.00 -0.23 -0.05 0.11 0.00 0.00 0.00 179.25 179.09 1hxl h TRP 120 N 0.22 0.00 -0.48 0.00 5.08 -1.81 -2.45 115.95 116.52 1hxl h TRP 120 Ca 0.20 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.86 1hxl h TRP 120 Cb 0.51 0.00 -0.21 0.00 -3.00 0.00 0.00 29.16 26.47 1hxl h TRP 120 CO -0.00 0.05 -0.28 0.36 -1.28 0.00 0.00 178.44 177.29 1hxl n LYS 121 N -3.94 2.41 0.05 0.12 2.85 -0.78 -4.70 118.16 114.18 1hxl n LYS 121 Ca -0.03 -3.52 0.12 0.00 -1.05 0.00 0.00 58.31 53.83 1hxl n LYS 121 Cb 0.14 -1.97 0.24 0.00 -0.65 0.00 0.00 35.03 32.78 1hxl n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1hxl n SER 122 N -0.98 0.65 -4.04 -5.58 3.41 -0.92 -4.88 113.62 101.28 1hxl n SER 122 Ca 0.37 0.15 -0.29 0.00 -0.26 0.00 0.00 58.87 58.84 1hxl n SER 122 Cb 0.92 0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 64.72 1hxl n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hxl s THR 123 N -3.13 1.50 0.06 6.66 2.01 -1.26 -1.17 115.64 120.32 1hxl s THR 123 Ca 0.08 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 1hxl s THR 123 Cb 0.14 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1hxl s THR 123 CO 0.69 0.44 0.23 -0.76 -0.69 0.00 0.00 174.62 174.53 1hxl s LEU 124 N 1.14 4.35 0.02 4.42 1.43 0.17 -4.92 118.68 125.29 1hxl s LEU 124 Ca -0.03 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 1hxl s LEU 124 Cb -0.14 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 1hxl s LEU 124 CO -0.04 0.16 -0.15 0.54 0.23 0.00 0.00 176.35 177.09 1hxl s VAL 125 N -1.51 1.23 0.00 -1.59 0.11 -1.26 -0.85 120.40 116.53 1hxl s VAL 125 Ca 0.35 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1hxl s VAL 125 Cb -0.13 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1hxl s VAL 125 CO 0.27 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1hxl n GLY 126 N 2.25 2.31 3.18 6.54 0.00 -0.80 -4.99 105.19 113.68 1hxl n GLY 126 Ca -0.16 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 1hxl n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hxl s HIS 127 N -5.98 -0.20 0.02 1.61 -3.43 -1.26 -0.99 115.29 105.06 1hxl s HIS 127 Ca 0.00 0.43 0.02 0.00 -0.80 0.00 0.00 55.06 54.71 1hxl s HIS 127 Cb 0.00 0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 31.21 1hxl s HIS 127 CO 0.00 -0.26 -0.07 -0.51 -2.00 0.00 0.00 174.74 171.90 1hxl s ASP 128 N -0.65 0.77 -0.16 7.38 1.01 -0.89 -4.96 116.67 119.17 1hxl s ASP 128 Ca -0.08 -0.31 0.01 0.00 0.71 0.00 0.00 52.55 52.89 1hxl s ASP 128 Cb -0.04 -0.03 0.02 0.00 1.01 0.00 0.00 42.92 43.88 1hxl s ASP 128 CO 0.02 -0.05 -0.19 -0.89 0.21 0.00 0.00 175.17 174.26 1hxl s THR 129 N -0.70 1.94 -0.10 -1.27 2.01 -1.26 -1.08 115.64 115.18 1hxl s THR 129 Ca -0.03 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 1hxl s THR 129 Cb -0.06 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1hxl s THR 129 CO 0.00 0.52 0.01 -0.36 -0.69 0.00 0.00 174.62 174.10 1hxl s PHE 130 N 1.13 3.18 0.26 4.92 0.40 -0.26 -3.88 117.98 123.74 1hxl s PHE 130 Ca -0.00 0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.55 1hxl s PHE 130 Cb -0.14 -1.82 -0.06 0.00 0.51 0.00 0.00 43.02 41.52 1hxl s PHE 130 CO -0.08 0.44 -0.01 0.95 0.70 0.00 0.00 175.22 177.22 1hxl s THR 131 N -0.76 1.26 -1.14 0.64 -4.23 0.06 -1.32 115.64 110.15 1hxl s THR 131 Ca 0.12 -2.06 0.28 0.00 -1.18 0.00 0.00 61.69 58.85 1hxl s THR 131 Cb -0.12 -2.45 0.23 0.00 1.34 0.00 0.00 72.50 71.50 1hxl s THR 131 CO 0.02 -0.26 1.78 0.29 -0.54 0.00 0.00 174.62 175.91 1hxl n LYS 132 N -0.52 0.15 -4.75 3.99 5.02 -1.26 -0.87 118.16 119.92 1hxl n LYS 132 Ca -0.05 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 55.91 1hxl n LYS 132 Cb 0.64 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.01 1hxl n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hxl s VAL 133 N -2.88 2.10 -2.00 -0.18 1.01 -1.26 -4.87 120.40 112.32 1hxl s VAL 133 Ca 0.17 -1.45 0.06 0.00 0.00 0.00 0.00 61.98 60.75 1hxl s VAL 133 Cb 0.19 -1.81 0.17 0.00 0.00 0.00 0.00 36.38 34.92 1hxl s VAL 133 CO 0.56 0.28 0.82 0.29 0.00 0.00 0.00 175.10 177.05