#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgu s VAL 2 N 0.00 4.31 0.67 0.58 1.01 -1.26 -1.14 120.40 124.56 1xgu s VAL 2 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1xgu s VAL 2 Cb 0.00 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 1xgu s VAL 2 CO 0.00 -0.20 1.06 -0.36 0.00 0.00 0.00 175.10 175.60 1xgu s PHE 3 N 1.51 2.99 0.39 5.22 0.40 0.19 -4.99 117.98 123.68 1xgu s PHE 3 Ca 0.01 1.47 -0.07 0.00 -0.60 0.00 0.00 56.93 57.74 1xgu s PHE 3 Cb -0.19 -2.96 -0.05 0.00 0.51 0.00 0.00 43.02 40.33 1xgu s PHE 3 CO 0.05 -1.27 0.70 0.20 0.70 0.00 0.00 175.22 175.61 1xgu s GLY 4 N -3.34 1.80 0.09 4.36 0.00 -1.26 -4.81 107.32 104.16 1xgu s GLY 4 Ca 0.61 -0.39 -0.31 0.00 0.00 0.00 0.00 44.72 44.62 1xgu s GLY 4 CO 0.48 -0.24 1.49 -0.09 0.00 0.00 0.00 173.10 174.74 1xgu h ARG 5 N 1.14 -0.72 -0.81 2.90 2.43 -1.97 -0.38 114.38 116.97 1xgu h ARG 5 Ca -0.47 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1xgu h ARG 5 Cb 1.19 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.87 1xgu h ARG 5 CO 0.64 -0.48 0.49 0.00 -1.51 0.00 0.00 179.97 179.11 1xgu h GLU 7 N 1.12 0.85 -0.41 0.00 4.81 -1.89 -0.56 114.58 118.50 1xgu h GLU 7 Ca 0.29 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.34 1xgu h GLU 7 Cb -0.05 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1xgu h GLU 7 CO -0.06 0.56 -0.28 1.25 -0.73 0.00 0.00 179.01 179.76 1xgu h LEU 8 N 0.87 0.91 -0.25 1.64 5.85 -0.41 -1.86 115.31 122.06 1xgu h LEU 8 Ca 0.29 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1xgu h LEU 8 Cb 0.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1xgu h LEU 8 CO -0.11 1.13 0.12 0.00 -0.34 0.00 0.00 178.44 179.23 1xgu h ALA 9 N 0.93 0.29 -0.69 1.25 0.00 -0.42 0.30 119.26 120.92 1xgu h ALA 9 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xgu h ALA 9 Cb 0.83 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1xgu h ALA 9 CO 0.07 -0.28 0.36 0.00 0.00 0.00 0.00 179.25 179.40 1xgu h ALA 10 N 1.13 0.88 -0.54 0.00 0.00 -1.05 -0.13 119.26 119.55 1xgu h ALA 10 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xgu h ALA 10 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1xgu h ALA 10 CO -0.07 0.41 0.27 0.00 0.00 0.00 0.00 179.25 179.85 1xgu h ALA 11 N 1.18 0.70 -0.30 0.00 0.00 -0.79 0.03 119.26 120.08 1xgu h ALA 11 Ca 0.24 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1xgu h ALA 11 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xgu h ALA 11 CO -0.04 0.26 -0.16 0.52 0.00 0.00 0.00 179.25 179.83 1xgu h MET 12 N 0.73 0.53 -0.46 0.00 2.86 -0.04 -0.37 114.93 118.19 1xgu h MET 12 Ca 0.19 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1xgu h MET 12 Cb 0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1xgu h MET 12 CO -0.02 0.68 -0.10 -0.22 1.06 0.00 0.00 176.91 178.30 1xgu h LYS 13 N 0.49 0.87 -0.54 1.72 3.64 -0.55 -1.91 116.57 120.28 1xgu h LYS 13 Ca 0.08 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.10 1xgu h LYS 13 Cb 0.56 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1xgu h LYS 13 CO 0.04 0.97 0.21 -0.09 -2.27 0.00 0.00 179.45 178.31 1xgu h ARG 14 N 0.71 0.79 -0.33 1.90 2.43 -0.56 -1.90 114.38 117.43 1xgu h ARG 14 Ca 0.12 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xgu h ARG 14 Cb 0.65 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1xgu h ARG 14 CO 0.04 0.66 0.00 0.72 -1.51 0.00 0.00 179.97 179.88 1xgu n HIS 15 N -4.33 0.24 -2.47 2.20 8.25 -0.19 -4.92 115.22 114.00 1xgu n HIS 15 Ca 0.04 -0.10 -0.13 0.00 -0.26 0.00 0.00 57.72 57.27 1xgu n HIS 15 Cb 0.17 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.24 1xgu n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xgu n GLY 16 N 0.58 -0.07 0.13 -1.41 0.00 -0.71 -4.95 105.19 98.75 1xgu n GLY 16 Ca 0.05 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1xgu n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xgu h LEU 17 N -0.42 0.00 -8.80 0.99 3.38 -1.57 -3.40 115.31 105.50 1xgu h LEU 17 Ca -0.30 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.11 1xgu h LEU 17 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1xgu h LEU 17 CO 0.33 0.00 1.24 -0.62 0.09 0.00 0.00 178.44 179.48 1xgu s ASP 18 N -5.45 5.92 -0.04 -0.43 2.15 -1.26 -2.10 116.67 115.46 1xgu s ASP 18 Ca 0.00 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.04 1xgu s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1xgu s ASP 18 CO 0.78 -1.73 0.00 -3.20 -0.17 0.00 0.00 175.17 170.85 1xgu n ASN 19 N 10.25 -3.10 -4.69 -0.34 5.15 0.11 -4.83 115.26 117.80 1xgu n ASN 19 Ca 0.21 0.01 -0.42 0.00 -0.60 0.00 0.00 54.58 53.78 1xgu n ASN 19 Cb 0.48 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 39.06 1xgu n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1xgu s TYR 20 N -1.99 2.56 -1.76 1.20 5.04 -0.89 -2.39 117.35 119.12 1xgu s TYR 20 Ca 0.00 0.46 -0.20 0.00 -2.44 0.00 0.00 57.07 54.89 1xgu s TYR 20 Cb 0.00 -3.88 0.18 0.00 0.35 0.00 0.00 41.96 38.61 1xgu s TYR 20 CO 0.00 -3.47 0.74 0.54 -1.34 0.00 0.00 175.55 172.02 1xgu n ARG 21 N 5.47 -2.51 -0.87 4.97 5.12 -1.26 -1.13 116.66 126.44 1xgu n ARG 21 Ca 0.15 0.31 0.00 0.00 -1.93 0.00 0.00 57.85 56.38 1xgu n ARG 21 Cb 0.41 -5.01 0.00 0.00 -1.16 0.00 0.00 32.46 26.71 1xgu n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xgu n GLY 22 N -1.30 0.63 3.38 -0.13 0.00 -1.01 -5.04 105.19 101.73 1xgu n GLY 22 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1xgu n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xgu s TYR 23 N -2.33 3.21 0.61 1.61 2.02 -0.29 -4.91 117.35 117.27 1xgu s TYR 23 Ca 0.00 -0.91 -0.18 0.00 -0.37 0.00 0.00 57.07 55.61 1xgu s TYR 23 Cb 0.00 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1xgu s TYR 23 CO 0.00 -0.59 1.20 -1.54 -1.57 0.00 0.00 175.55 173.06 1xgu s SER 24 N 1.54 5.09 0.32 2.29 1.04 -1.26 0.06 113.70 122.78 1xgu s SER 24 Ca 0.02 2.36 0.08 0.00 0.48 0.00 0.00 55.95 58.90 1xgu s SER 24 Cb -0.18 -2.60 0.92 0.00 0.10 0.00 0.00 66.02 64.27 1xgu s SER 24 CO 0.05 -1.66 1.62 0.25 0.98 0.00 0.00 173.24 174.48 1xgu h LEU 25 N 0.73 0.07 -0.80 2.42 5.85 -1.88 -1.18 115.31 120.52 1xgu h LEU 25 Ca -0.50 0.23 0.18 0.00 0.84 0.00 0.00 57.88 58.63 1xgu h LEU 25 Cb 1.29 0.29 -0.11 0.00 0.37 0.00 0.00 40.66 42.50 1xgu h LEU 25 CO 0.55 -0.25 0.26 1.23 -0.34 0.00 0.00 178.44 179.88 1xgu h GLY 26 N 0.15 1.20 0.15 3.75 0.00 -1.91 -1.17 103.07 105.24 1xgu h GLY 26 Ca 0.66 -0.09 0.12 0.00 0.00 0.00 0.00 47.33 48.02 1xgu h GLY 26 CO -0.73 -0.21 0.16 3.43 0.00 0.00 0.00 176.54 179.19 1xgu h ASN 27 N 0.33 0.05 0.03 0.19 2.35 -1.44 0.95 115.58 118.04 1xgu h ASN 27 Ca 0.46 0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 56.16 1xgu h ASN 27 Cb 0.82 0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.33 1xgu h ASN 27 CO -0.51 0.02 -0.58 -0.50 -1.65 0.00 0.00 177.43 174.20 1xgu h TRP 28 N 0.29 0.72 -0.16 1.19 4.06 -1.36 -0.98 115.95 119.71 1xgu h TRP 28 Ca 0.34 -0.27 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 1xgu h TRP 28 Cb 0.51 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 1xgu h TRP 28 CO -0.24 1.01 0.01 0.28 -3.56 0.00 0.00 178.44 175.94 1xgu h VAL 29 N 0.43 1.24 -0.81 1.49 2.07 -0.70 -1.17 116.25 118.80 1xgu h VAL 29 Ca 0.00 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1xgu h VAL 29 Cb 1.14 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 1xgu h VAL 29 CO 0.11 0.24 0.43 0.00 0.02 0.00 0.00 177.57 178.37 1xgu h ALA 31 N 1.23 0.78 -0.56 0.00 0.00 -1.05 -2.31 119.26 117.33 1xgu h ALA 31 Ca 0.28 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1xgu h ALA 31 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xgu h ALA 31 CO -0.04 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 1xgu h ALA 32 N 0.99 0.90 0.27 0.00 0.00 -0.96 -1.38 119.26 119.09 1xgu h ALA 32 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xgu h ALA 32 Cb 0.48 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xgu h ALA 32 CO 0.02 0.65 -0.17 -0.22 0.00 0.00 0.00 179.25 179.53 1xgu h LYS 33 N 0.90 -0.41 0.00 0.00 1.63 -1.04 -1.57 116.57 116.09 1xgu h LYS 33 Ca 0.16 0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.87 1xgu h LYS 33 Cb 0.55 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 1xgu h LYS 33 CO 0.03 -0.27 -0.56 0.74 -3.45 0.00 0.00 179.45 175.94 1xgu h PHE 34 N -0.42 0.00 0.14 1.91 0.04 -1.37 0.41 116.94 117.65 1xgu h PHE 34 Ca -0.03 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.44 1xgu h PHE 34 Cb 0.35 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.53 1xgu h PHE 34 CO -0.09 0.56 -1.29 0.93 -0.60 0.00 0.00 178.31 177.82 1xgu h GLU 35 N 0.00 0.60 0.00 1.51 4.39 -1.19 -3.43 114.58 116.46 1xgu h GLU 35 Ca -0.01 -0.84 0.00 0.00 0.34 0.00 0.00 59.36 58.85 1xgu h GLU 35 Cb 1.07 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1xgu h GLU 35 CO 0.07 1.39 0.00 -1.13 -1.16 0.00 0.00 179.01 178.18 1xgu n SER 36 N -3.77 0.00 -2.81 1.42 3.41 -0.62 -4.82 113.62 106.44 1xgu n SER 36 Ca -0.14 -1.00 -0.20 0.00 -0.26 0.00 0.00 58.87 57.27 1xgu n SER 36 Cb 1.01 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 65.00 1xgu n SER 36 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xgu n ASN 37 N 0.00 -5.61 -1.81 4.04 3.02 0.14 -2.31 115.26 112.72 1xgu n ASN 37 Ca 0.00 -0.32 -0.17 0.00 -0.03 0.00 0.00 54.58 54.06 1xgu n ASN 37 Cb 0.33 -4.37 -0.02 0.00 -0.61 0.00 0.00 39.78 35.11 1xgu n ASN 37 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1xgu n PHE 38 N -4.46 -0.65 -3.59 3.10 3.72 -1.16 -4.76 117.46 109.67 1xgu n PHE 38 Ca -0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.94 1xgu n PHE 38 Cb 0.59 -3.33 -0.11 0.00 -0.94 0.00 0.00 39.48 35.69 1xgu n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xgu s ASN 39 N -2.35 5.79 0.45 4.37 2.47 -0.98 -0.64 114.94 124.05 1xgu s ASN 39 Ca 0.00 -0.58 0.17 0.00 0.42 0.00 0.00 52.86 52.87 1xgu s ASN 39 Cb 0.00 -2.06 1.05 0.00 -1.45 0.00 0.00 41.25 38.79 1xgu s ASN 39 CO 0.00 -0.25 1.97 0.71 -3.72 0.00 0.00 177.10 175.81 1xgu h THR 40 N 5.63 1.01 -0.07 -5.21 1.35 -1.45 -2.88 112.91 111.30 1xgu h THR 40 Ca -0.31 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1xgu h THR 40 Cb 1.14 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1xgu h THR 40 CO 0.64 0.21 0.00 0.00 -0.25 0.00 0.00 175.52 176.12 1xgu n GLN 41 N -4.08 1.66 -1.72 4.72 6.02 -1.26 -3.80 117.38 118.92 1xgu n GLN 41 Ca -0.02 -0.97 -0.42 0.00 -0.01 0.00 0.00 57.00 55.57 1xgu n GLN 41 Cb 0.29 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 1xgu n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xgu n ALA 42 N 0.18 1.95 -2.22 -1.58 0.00 -1.09 -4.78 120.51 112.97 1xgu n ALA 42 Ca 0.18 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 1xgu n ALA 42 Cb 0.34 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.31 1xgu n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xgu s THR 43 N -0.38 0.42 -0.23 0.00 -4.23 -1.26 -1.26 115.64 108.71 1xgu s THR 43 Ca 0.62 -1.76 -0.09 0.00 -1.18 0.00 0.00 61.69 59.27 1xgu s THR 43 Cb -0.54 -1.46 0.09 0.00 1.34 0.00 0.00 72.50 71.93 1xgu s THR 43 CO 0.54 -0.88 0.50 0.21 -0.54 0.00 0.00 174.62 174.45 1xgu s ASN 44 N -2.80 -0.60 0.30 3.99 2.47 -0.66 -4.95 114.94 112.69 1xgu s ASN 44 Ca 0.07 1.18 -0.27 0.00 0.42 0.00 0.00 52.86 54.26 1xgu s ASN 44 Cb 0.05 1.48 -0.10 0.00 -1.45 0.00 0.00 41.25 41.23 1xgu s ASN 44 CO -0.07 -0.22 0.94 -0.13 -3.72 0.00 0.00 177.10 173.90 1xgu s ARG 45 N 2.35 4.63 0.37 0.43 0.52 -1.26 -0.67 118.95 125.32 1xgu s ARG 45 Ca -0.05 1.35 0.08 0.00 -0.52 0.00 0.00 55.73 56.59 1xgu s ARG 45 Cb -0.11 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1xgu s ARG 45 CO -0.15 0.33 0.14 -0.80 0.02 0.00 0.00 175.30 174.84 1xgu s ASN 46 N -1.53 4.49 0.28 0.23 0.01 -0.68 -4.96 114.94 112.79 1xgu s ASN 46 Ca 0.48 -0.94 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1xgu s ASN 46 Cb -0.20 -0.58 0.55 0.00 0.41 0.00 0.00 41.25 41.43 1xgu s ASN 46 CO 0.25 -0.40 1.83 0.74 -1.51 0.00 0.00 177.10 178.01 1xgu h THR 47 N 1.53 0.91 -1.95 1.60 2.02 -1.98 -3.41 112.91 111.62 1xgu h THR 47 Ca -0.43 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1xgu h THR 47 Cb 1.25 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1xgu h THR 47 CO 0.66 0.18 0.00 -0.90 0.37 0.00 0.00 175.52 175.83 1xgu n ASP 48 N -4.64 -0.09 -0.83 4.18 3.85 -1.26 -4.91 116.55 112.86 1xgu n ASP 48 Ca 0.19 -0.95 0.02 0.00 -0.71 0.00 0.00 54.79 53.33 1xgu n ASP 48 Cb 0.36 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 40.23 1xgu n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xgu n GLY 49 N 4.78 1.74 3.92 6.12 0.00 -1.26 -4.89 105.19 115.60 1xgu n GLY 49 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1xgu n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xgu s SER 50 N -0.26 6.38 0.01 1.61 1.04 -1.26 -4.46 113.70 116.76 1xgu s SER 50 Ca 0.14 0.51 0.03 0.00 0.48 0.00 0.00 55.95 57.11 1xgu s SER 50 Cb 0.11 -2.05 -0.01 0.00 0.10 0.00 0.00 66.02 64.16 1xgu s SER 50 CO 0.04 -0.16 -0.09 -0.89 0.98 0.00 0.00 173.24 173.12 1xgu s THR 51 N -2.06 0.70 -0.15 2.02 2.01 -1.26 -1.68 115.64 115.22 1xgu s THR 51 Ca 0.40 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1xgu s THR 51 Cb -0.10 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1xgu s THR 51 CO 0.31 0.01 0.28 -1.81 -0.69 0.00 0.00 174.62 172.73 1xgu s ASP 52 N -0.70 6.45 0.04 3.53 1.01 0.15 -1.27 116.67 125.88 1xgu s ASP 52 Ca -0.00 0.52 0.09 0.00 0.71 0.00 0.00 52.55 53.87 1xgu s ASP 52 Cb -0.06 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 1xgu s ASP 52 CO 0.00 0.14 -0.24 -0.31 0.21 0.00 0.00 175.17 174.96 1xgu s TYR 53 N 0.26 2.15 0.00 4.23 1.51 0.16 -1.65 117.35 124.01 1xgu s TYR 53 Ca 0.16 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1xgu s TYR 53 Cb -0.13 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 1xgu s TYR 53 CO 0.04 0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.99 1xgu n GLY 54 N 1.87 -2.62 0.29 0.71 0.00 -0.39 -1.25 105.19 103.80 1xgu n GLY 54 Ca -0.17 -1.67 0.15 0.00 0.00 0.00 0.00 46.02 44.33 1xgu n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xgu h ILE 55 N 0.00 0.54 -0.14 -0.61 2.10 -1.67 -1.60 117.51 116.15 1xgu h ILE 55 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1xgu h ILE 55 Cb 0.00 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 1xgu h ILE 55 CO 0.00 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 177.26 1xgu n LEU 56 N -3.84 3.06 -3.94 2.19 4.77 -1.26 -4.08 117.00 113.89 1xgu n LEU 56 Ca -0.03 -2.94 -0.36 0.00 -0.03 0.00 0.00 56.01 52.65 1xgu n LEU 56 Cb 0.10 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1xgu n LEU 56 CO 0.28 0.68 -0.16 0.00 -1.33 0.00 0.00 177.39 176.86 1xgu n GLN 57 N -0.87 -0.54 -2.89 3.23 1.13 -0.60 -4.90 117.38 111.94 1xgu n GLN 57 Ca 0.17 0.11 -0.41 0.00 -1.94 0.00 0.00 57.00 54.93 1xgu n GLN 57 Cb 0.72 -1.88 -0.04 0.00 0.11 0.00 0.00 30.24 29.15 1xgu n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xgu s ILE 58 N -3.56 4.85 0.29 5.09 1.01 -0.38 -4.52 121.20 123.98 1xgu s ILE 58 Ca 0.33 1.75 -0.29 0.00 0.00 0.00 0.00 60.65 62.44 1xgu s ILE 58 Cb -0.18 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 1xgu s ILE 58 CO 0.81 0.26 1.09 0.21 0.00 0.00 0.00 174.94 177.31 1xgu s ASN 59 N 0.54 7.24 0.00 3.58 3.84 -1.26 -0.67 114.94 128.21 1xgu s ASN 59 Ca 0.43 2.24 0.28 0.00 0.21 0.00 0.00 52.86 56.02 1xgu s ASN 59 Cb -0.20 -2.62 1.07 0.00 -0.55 0.00 0.00 41.25 38.94 1xgu s ASN 59 CO 0.24 -0.16 1.77 -1.54 -2.79 0.00 0.00 177.10 174.62 1xgu n SER 60 N 1.10 0.40 0.08 -4.21 3.41 -0.40 -1.76 113.62 112.25 1xgu n SER 60 Ca -0.01 -0.30 -0.15 0.00 -0.26 0.00 0.00 58.87 58.14 1xgu n SER 60 Cb 0.45 -0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1xgu n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xgu h ARG 61 N 0.37 0.40 0.00 4.33 1.12 -1.84 -3.40 114.38 115.35 1xgu h ARG 61 Ca 0.00 -0.51 -0.10 0.00 -1.11 0.00 0.00 59.98 58.26 1xgu h ARG 61 Cb 0.42 0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 30.53 1xgu h ARG 61 CO 0.00 1.18 -1.38 0.91 -3.11 0.00 0.00 179.97 177.57 1xgu n TRP 62 N -3.69 0.00 -0.05 2.20 7.02 -1.24 -2.37 117.44 119.31 1xgu n TRP 62 Ca -0.08 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.29 1xgu n TRP 62 Cb 0.91 -0.25 -0.15 0.00 -2.42 0.00 0.00 31.31 29.41 1xgu n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1xgu n TRP 63 N -2.89 0.63 -4.19 -5.99 7.02 -0.72 0.04 117.44 111.34 1xgu n TRP 63 Ca -0.12 0.22 -0.11 0.00 -1.02 0.00 0.00 57.50 56.46 1xgu n TRP 63 Cb 0.61 -1.11 -0.10 0.00 -2.42 0.00 0.00 31.31 28.29 1xgu n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xgu s ASN 65 N -3.09 4.75 0.00 0.00 2.47 -0.61 -4.44 114.94 114.02 1xgu s ASN 65 Ca 0.18 -0.18 0.07 0.00 0.42 0.00 0.00 52.86 53.35 1xgu s ASN 65 Cb 0.06 -1.79 0.16 0.00 -1.45 0.00 0.00 41.25 38.23 1xgu s ASN 65 CO -0.01 0.12 1.04 -0.90 -3.72 0.00 0.00 177.10 173.64 1xgu n ASP 66 N 3.86 2.32 -0.16 -4.21 5.68 -1.26 -0.75 116.55 122.02 1xgu n ASP 66 Ca -0.17 -1.81 -0.02 0.00 -0.50 0.00 0.00 54.79 52.29 1xgu n ASP 66 Cb 0.52 -0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 1xgu n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xgu n GLY 67 N 0.21 0.38 2.56 6.12 0.00 -1.26 -4.80 105.19 108.41 1xgu n GLY 67 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1xgu n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xgu n ARG 68 N -0.87 1.34 -4.15 1.61 1.85 -1.26 -5.10 116.66 110.07 1xgu n ARG 68 Ca -0.02 -1.94 -0.26 0.00 -1.00 0.00 0.00 57.85 54.63 1xgu n ARG 68 Cb 0.33 -0.22 -0.17 0.00 -1.05 0.00 0.00 32.46 31.35 1xgu n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1xgu s THR 69 N -1.11 1.10 0.11 8.89 2.01 -1.26 -4.89 115.64 120.49 1xgu s THR 69 Ca 0.15 -0.38 -0.31 0.00 0.31 0.00 0.00 61.69 61.46 1xgu s THR 69 Cb 0.38 -1.07 -0.08 0.00 0.01 0.00 0.00 72.50 71.74 1xgu s THR 69 CO -0.09 0.37 1.42 -2.16 -0.69 0.00 0.00 174.62 173.47 1xgu s PRO 70 N 1.32 4.30 -0.26 4.92 0.04 -1.26 -3.06 135.00 140.99 1xgu s PRO 70 Ca -0.02 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1xgu s PRO 70 Cb -0.14 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1xgu s PRO 70 CO -0.04 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1xgu n GLY 71 N 3.56 0.31 3.73 0.56 0.00 -1.26 -4.90 105.19 107.19 1xgu n GLY 71 Ca 0.12 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1xgu n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xgu s SER 72 N -2.89 6.75 -0.01 1.61 0.01 -1.17 -4.73 113.70 113.27 1xgu s SER 72 Ca 0.00 2.51 0.09 0.00 1.31 0.00 0.00 55.95 59.87 1xgu s SER 72 Cb 0.00 -2.61 -0.14 0.00 0.21 0.00 0.00 66.02 63.48 1xgu s SER 72 CO 0.00 -0.66 0.23 0.54 0.41 0.00 0.00 173.24 173.76 1xgu n ARG 73 N 2.97 0.72 -4.05 12.44 1.74 -1.00 -5.02 116.66 124.46 1xgu n ARG 73 Ca 0.08 -0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 1xgu n ARG 73 Cb 0.41 -1.19 -0.03 0.00 -1.02 0.00 0.00 32.46 30.64 1xgu n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xgu n ASN 74 N -1.75 -1.32 -0.29 0.55 5.15 -1.02 -4.86 115.26 111.71 1xgu n ASN 74 Ca -0.01 -1.15 0.08 0.00 -0.60 0.00 0.00 54.58 52.90 1xgu n ASN 74 Cb 0.23 -2.39 0.24 0.00 -0.53 0.00 0.00 39.78 37.33 1xgu n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xgu h LEU 75 N -1.98 0.47 0.00 1.20 -0.00 -0.38 0.23 115.31 114.84 1xgu h LEU 75 Ca -0.66 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 1xgu h LEU 75 Cb 1.39 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.09 1xgu h LEU 75 CO 0.61 0.17 0.00 0.00 -0.00 0.00 0.00 178.44 179.22 1xgu n ASN 77 N -1.03 -2.51 -3.79 0.00 5.03 0.80 -4.96 115.26 108.81 1xgu n ASN 77 Ca 0.22 -1.09 -0.13 0.00 0.87 0.00 0.00 54.58 54.45 1xgu n ASN 77 Cb 0.12 -2.78 -0.09 0.00 -1.02 0.00 0.00 39.78 36.01 1xgu n ASN 77 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1xgu s ILE 78 N -3.76 0.06 0.13 2.41 1.10 -1.26 -5.07 121.20 114.81 1xgu s ILE 78 Ca 0.24 -0.52 -0.30 0.00 -0.51 0.00 0.00 60.65 59.56 1xgu s ILE 78 Cb -0.10 -0.56 -0.07 0.00 0.15 0.00 0.00 42.46 41.87 1xgu s ILE 78 CO 0.91 -0.29 1.22 -2.84 -2.11 0.00 0.00 174.94 171.83 1xgu s PRO 79 N -1.32 4.45 0.44 3.50 0.02 -1.26 -1.57 135.00 139.26 1xgu s PRO 79 Ca -0.14 1.87 0.18 0.00 0.02 0.00 0.00 61.00 62.92 1xgu s PRO 79 Cb -0.06 -3.28 1.11 0.00 0.02 0.00 0.00 34.50 32.29 1xgu s PRO 79 CO 0.04 -0.19 1.91 0.00 -0.33 0.00 0.00 177.00 178.42 1xgu h SER 81 N 0.36 0.02 0.33 0.00 4.64 -1.90 0.14 113.55 117.15 1xgu h SER 81 Ca 0.39 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1xgu h SER 81 Cb 0.99 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1xgu h SER 81 CO -0.12 0.01 -0.01 0.00 -0.87 0.00 0.00 176.83 175.84 1xgu h ALA 82 N 1.84 1.05 -0.01 5.18 0.00 -1.35 -1.44 119.26 124.52 1xgu h ALA 82 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xgu h ALA 82 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xgu h ALA 82 CO -0.01 0.01 -0.03 1.28 0.00 0.00 0.00 179.25 180.50 1xgu n LEU 83 N -3.16 0.58 -0.68 0.00 4.77 0.49 -3.40 117.00 115.61 1xgu n LEU 83 Ca -0.02 -0.14 0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1xgu n LEU 83 Cb 0.15 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1xgu n LEU 83 CO 0.23 0.10 0.52 0.18 -1.33 0.00 0.00 177.39 177.10 1xgu n LEU 84 N -0.65 2.45 -4.73 2.23 4.77 -0.54 -3.44 117.00 117.09 1xgu n LEU 84 Ca 0.19 -1.10 -0.32 0.00 -0.03 0.00 0.00 56.01 54.75 1xgu n LEU 84 Cb 0.24 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1xgu n LEU 84 CO 0.19 0.46 0.73 -0.55 -1.33 0.00 0.00 177.39 176.90 1xgu s SER 85 N -1.32 4.17 0.49 -1.43 0.15 -1.22 -4.21 113.70 110.32 1xgu s SER 85 Ca 0.20 2.11 0.28 0.00 0.70 0.00 0.00 55.95 59.24 1xgu s SER 85 Cb 0.14 -2.56 0.85 0.00 -1.71 0.00 0.00 66.02 62.74 1xgu s SER 85 CO 0.21 -2.27 1.79 0.28 1.20 0.00 0.00 173.24 174.45 1xgu h SER 86 N -0.80 0.00 -3.54 5.45 0.02 -1.93 -3.41 113.55 109.34 1xgu h SER 86 Ca -0.45 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.87 1xgu h SER 86 Cb 1.26 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.68 1xgu h SER 86 CO 0.49 0.04 0.17 -0.62 -1.14 0.00 0.00 176.83 175.77 1xgu s ASP 87 N -5.98 6.48 0.00 3.07 2.15 -1.26 -4.92 116.67 116.21 1xgu s ASP 87 Ca 0.04 0.33 0.22 0.00 0.43 0.00 0.00 52.55 53.57 1xgu s ASP 87 Cb 0.07 -2.34 1.34 0.00 -0.30 0.00 0.00 42.92 41.70 1xgu s ASP 87 CO 0.61 -0.54 1.78 2.30 -0.17 0.00 0.00 175.17 179.15 1xgu n ILE 88 N 5.49 0.00 -0.24 4.11 -5.35 -1.26 -4.32 119.36 117.79 1xgu n ILE 88 Ca -0.01 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.42 1xgu n ILE 88 Cb 0.49 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1xgu n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xgu h THR 89 N 0.00 0.12 -0.43 7.28 2.02 -1.93 -1.01 112.91 118.96 1xgu h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1xgu h THR 89 Cb 0.00 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1xgu h THR 89 CO 0.00 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.03 1xgu h ALA 90 N 1.00 0.57 -0.83 6.16 0.00 -1.82 -2.01 119.26 122.32 1xgu h ALA 90 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xgu h ALA 90 Cb 0.56 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1xgu h ALA 90 CO -0.74 0.21 0.48 0.77 0.00 0.00 0.00 179.25 179.97 1xgu h SER 91 N 0.56 1.00 -0.19 0.00 0.02 -1.65 -1.64 113.55 111.65 1xgu h SER 91 Ca 0.14 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1xgu h SER 91 Cb 0.26 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xgu h SER 91 CO -0.01 0.78 -0.11 0.58 -1.14 0.00 0.00 176.83 176.93 1xgu h VAL 92 N 1.14 1.32 -0.68 2.27 2.07 -1.03 -0.70 116.25 120.64 1xgu h VAL 92 Ca 0.30 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.68 1xgu h VAL 92 Cb -0.03 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1xgu h VAL 92 CO -0.05 0.36 0.38 0.78 0.02 0.00 0.00 177.57 179.06 1xgu h ASN 93 N 0.09 0.57 -0.33 0.57 -0.26 -1.17 0.17 115.58 115.22 1xgu h ASN 93 Ca 0.04 0.03 -0.15 0.00 -0.56 0.00 0.00 56.30 55.65 1xgu h ASN 93 Cb 0.61 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.78 1xgu h ASN 93 CO 0.03 0.37 -0.39 0.00 -1.06 0.00 0.00 177.43 176.38 1xgu h ALA 95 N 0.72 1.32 -0.64 0.00 0.00 -0.59 0.14 119.26 120.22 1xgu h ALA 95 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xgu h ALA 95 Cb 0.98 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1xgu h ALA 95 CO 0.09 0.61 0.18 0.87 0.00 0.00 0.00 179.25 181.00 1xgu h LYS 96 N 1.30 0.99 -0.27 0.00 1.57 -0.83 -0.16 116.57 119.17 1xgu h LYS 96 Ca 0.37 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1xgu h LYS 96 Cb -0.09 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1xgu h LYS 96 CO -0.10 0.86 -0.38 -0.22 -0.57 0.00 0.00 179.45 179.04 1xgu h LYS 97 N 0.95 0.73 -0.01 3.15 3.64 -0.95 -1.90 116.57 122.17 1xgu h LYS 97 Ca 0.21 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1xgu h LYS 97 Cb 0.30 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1xgu h LYS 97 CO -0.01 1.05 -0.01 0.82 -2.27 0.00 0.00 179.45 179.04 1xgu h ILE 98 N 0.47 0.97 0.00 2.00 2.04 -0.70 -1.87 117.51 120.41 1xgu h ILE 98 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1xgu h ILE 98 Cb 0.97 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1xgu h ILE 98 CO 0.09 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.79 1xgu n VAL 99 N -5.11 0.93 1.36 1.67 3.14 -0.10 -1.70 118.33 118.53 1xgu n VAL 99 Ca -0.07 0.33 0.14 0.00 -2.96 0.00 0.00 64.34 61.78 1xgu n VAL 99 Cb 0.04 -1.25 0.73 0.00 -1.06 0.00 0.00 33.84 32.30 1xgu n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1xgu n SER 100 N -2.13 0.00 -4.89 6.55 7.64 -0.71 -4.01 113.62 116.07 1xgu n SER 100 Ca 0.02 -0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.47 1xgu n SER 100 Cb 0.18 -0.28 0.07 0.00 -1.01 0.00 0.00 64.21 63.17 1xgu n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xgu s ASP 101 N -2.57 4.87 0.45 6.43 2.15 -0.69 -4.96 116.67 122.37 1xgu s ASP 101 Ca 0.27 0.93 0.18 0.00 0.43 0.00 0.00 52.55 54.37 1xgu s ASP 101 Cb 0.19 -1.55 1.13 0.00 -0.30 0.00 0.00 42.92 42.39 1xgu s ASP 101 CO 0.44 -1.69 1.94 1.23 -0.17 0.00 0.00 175.17 176.92 1xgu h GLY 102 N -0.90 0.53 -1.32 2.66 0.00 -1.87 -2.47 103.07 99.69 1xgu h GLY 102 Ca -0.46 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1xgu h GLY 102 CO 0.65 0.05 0.00 1.16 0.00 0.00 0.00 176.54 178.40 1xgu n ASN 103 N -4.45 1.87 0.00 0.19 0.23 -1.26 -5.00 115.26 106.84 1xgu n ASN 103 Ca 0.13 -2.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 1xgu n ASN 103 Cb 0.54 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1xgu n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xgu n GLY 104 N 0.57 1.44 0.00 4.83 0.00 -0.93 -0.50 105.19 110.59 1xgu n GLY 104 Ca 0.08 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.00 1xgu n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xgu n MET 105 N 12.15 0.49 0.00 1.61 2.81 -1.26 -2.91 117.12 130.01 1xgu n MET 105 Ca 0.00 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.97 1xgu n MET 105 Cb 0.00 -1.38 0.42 0.00 -0.71 0.00 0.00 33.22 31.55 1xgu n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xgu n ASN 106 N -0.88 0.00 0.28 7.83 3.02 0.35 -2.03 115.26 123.83 1xgu n ASN 106 Ca 0.09 0.09 0.17 0.00 -0.03 0.00 0.00 54.58 54.90 1xgu n ASN 106 Cb 0.04 -0.31 0.71 0.00 -0.61 0.00 0.00 39.78 39.62 1xgu n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xgu h ALA 107 N 2.77 1.01 -2.51 5.41 0.00 -1.66 -3.38 119.26 120.91 1xgu h ALA 107 Ca 0.00 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 54.16 1xgu h ALA 107 Cb 0.17 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.69 1xgu h ALA 107 CO 0.00 0.03 -0.37 -1.58 0.00 0.00 0.00 179.25 177.33 1xgu s TRP 108 N -3.73 3.32 0.22 0.00 0.51 -0.86 -4.96 118.94 113.45 1xgu s TRP 108 Ca 0.00 -1.44 -0.07 0.00 -2.12 0.00 0.00 56.10 52.48 1xgu s TRP 108 Cb 0.10 -3.30 0.34 0.00 -0.81 0.00 0.00 33.47 29.80 1xgu s TRP 108 CO 0.54 -0.91 1.76 0.28 -0.51 0.00 0.00 176.95 178.11 1xgu h VAL 109 N 5.98 0.79 -0.79 4.03 2.07 -1.85 -0.85 116.25 125.63 1xgu h VAL 109 Ca -0.25 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.18 1xgu h VAL 109 Cb 1.09 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1xgu h VAL 109 CO 0.86 0.09 0.51 0.00 0.02 0.00 0.00 177.57 179.06 1xgu h ALA 110 N 1.45 1.72 -0.28 1.67 0.00 -1.95 0.76 119.26 122.63 1xgu h ALA 110 Ca 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1xgu h ALA 110 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xgu h ALA 110 CO -0.31 0.14 0.02 2.35 0.00 0.00 0.00 179.25 181.45 1xgu h TRP 111 N 0.77 0.51 -0.20 0.00 7.01 -1.48 0.38 115.95 122.94 1xgu h TRP 111 Ca 0.35 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 1xgu h TRP 111 Cb 0.36 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1xgu h TRP 111 CO -0.00 0.60 0.10 0.00 -2.79 0.00 0.00 178.44 176.35 1xgu h ARG 112 N 0.27 0.28 -0.30 2.65 3.08 -0.86 1.27 114.38 120.77 1xgu h ARG 112 Ca 0.08 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 1xgu h ARG 112 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1xgu h ARG 112 CO 0.01 0.30 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.26 1xgu h ASN 113 N 0.19 0.55 -0.00 7.04 -0.26 -0.80 -3.29 115.58 119.02 1xgu h ASN 113 Ca 0.07 -0.34 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 1xgu h ASN 113 Cb 0.11 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1xgu h ASN 113 CO -0.01 0.77 -0.53 0.54 -1.06 0.00 0.00 177.43 177.13 1xgu n ARG 114 N -4.52 3.26 0.00 0.81 3.00 0.13 -4.84 116.66 114.51 1xgu n ARG 114 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.81 1xgu n ARG 114 Cb 0.29 -1.03 0.00 0.00 0.00 0.00 0.00 32.46 31.72 1xgu n ARG 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xgu n LYS 116 N -2.17 2.07 -0.76 0.00 4.81 0.38 -1.33 118.16 121.15 1xgu n LYS 116 Ca 0.00 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1xgu n LYS 116 Cb 0.36 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1xgu n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xgu n GLY 117 N 4.24 0.83 4.02 3.14 0.00 -1.26 -4.92 105.19 111.24 1xgu n GLY 117 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 1xgu n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xgu s THR 118 N -3.22 2.43 -1.50 2.61 -4.23 -0.44 -4.98 115.64 106.31 1xgu s THR 118 Ca 0.00 -0.98 -0.10 0.00 -1.18 0.00 0.00 61.69 59.43 1xgu s THR 118 Cb 0.00 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1xgu s THR 118 CO 0.00 0.00 2.59 -0.67 -0.54 0.00 0.00 174.62 176.00 1xgu n ASP 119 N -2.14 7.10 -0.21 3.99 2.03 -1.26 -4.72 116.55 121.34 1xgu n ASP 119 Ca 0.13 -2.78 0.31 0.00 0.52 0.00 0.00 54.79 52.96 1xgu n ASP 119 Cb 0.61 -1.54 0.72 0.00 -0.72 0.00 0.00 41.12 40.19 1xgu n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1xgu h VAL 120 N 3.25 0.41 0.00 5.18 -1.51 -1.92 0.90 116.25 122.56 1xgu h VAL 120 Ca 0.73 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.20 1xgu h VAL 120 Cb 0.41 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.02 1xgu h VAL 120 CO 1.75 0.00 0.16 -0.61 -1.23 0.00 0.00 177.57 177.63 1xgu h GLN 121 N 0.00 0.00 0.00 5.19 4.15 -1.88 0.09 115.11 122.66 1xgu h GLN 121 Ca 0.46 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.86 1xgu h GLN 121 Cb 1.97 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.65 1xgu h GLN 121 CO -0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 178.83 176.78 1xgu h ALA 122 N 1.69 1.21 0.00 3.38 0.00 -1.20 -2.68 119.26 121.66 1xgu h ALA 122 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xgu h ALA 122 Cb 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xgu h ALA 122 CO 0.00 0.15 -0.01 -1.49 0.00 0.00 0.00 179.25 177.90 1xgu h TRP 123 N 0.00 0.00 -0.00 0.00 4.06 -1.18 -3.02 115.95 115.81 1xgu h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1xgu h TRP 123 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1xgu h TRP 123 CO 0.00 0.01 -0.26 0.44 -3.56 0.00 0.00 178.44 175.06 1xgu n ILE 124 N -3.10 0.00 -2.21 1.49 -5.35 -1.06 -4.86 119.36 104.26 1xgu n ILE 124 Ca 0.00 -0.37 -0.42 0.00 -0.27 0.00 0.00 62.75 61.69 1xgu n ILE 124 Cb 0.28 1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 39.18 1xgu n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1xgu s ARG 125 N -1.46 4.34 0.00 6.28 3.52 -1.04 -1.88 118.95 128.72 1xgu s ARG 125 Ca 0.04 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.67 1xgu s ARG 125 Cb 0.05 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1xgu s ARG 125 CO 0.25 -0.39 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1xgu n GLY 126 N 3.31 2.90 3.88 8.12 0.00 -1.26 -4.99 105.19 117.15 1xgu n GLY 126 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1xgu n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgu n ARG 128 N -2.06 3.25 0.00 0.00 5.12 -1.26 -5.11 116.66 116.60 1xgu n ARG 128 Ca 0.03 -4.47 0.13 0.00 -1.93 0.00 0.00 57.85 51.60 1xgu n ARG 128 Cb 0.54 -2.50 0.23 0.00 -1.16 0.00 0.00 32.46 29.58 1xgu n ARG 128 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98