#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm0 n ALA 2 N 0.00 -0.32 -4.01 3.04 0.00 -1.26 -4.94 120.51 113.02 1xm0 n ALA 2 Ca 0.00 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1xm0 n ALA 2 Cb 0.00 -1.99 -0.15 0.00 0.00 0.00 0.00 19.45 17.31 1xm0 n ALA 2 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xm0 s TYR 3 N -2.71 3.43 -0.43 0.00 5.04 -1.26 -4.38 117.35 117.04 1xm0 s TYR 3 Ca 0.00 -2.69 -0.01 0.00 -2.44 0.00 0.00 57.07 51.93 1xm0 s TYR 3 Cb 0.00 -2.53 0.12 0.00 0.35 0.00 0.00 41.96 39.90 1xm0 s TYR 3 CO 0.00 -0.92 0.20 -0.80 -1.34 0.00 0.00 175.55 172.70 1xm0 s ASN 4 N 1.02 5.09 0.42 4.32 0.01 -1.26 -4.97 114.94 119.58 1xm0 s ASN 4 Ca 0.05 -2.22 0.21 0.00 -0.71 0.00 0.00 52.86 50.19 1xm0 s ASN 4 Cb -0.19 -1.78 1.18 0.00 0.41 0.00 0.00 41.25 40.87 1xm0 s ASN 4 CO -0.08 -0.47 1.78 0.07 -1.51 0.00 0.00 177.10 176.89 1xm0 h LYS 5 N 7.74 0.32 -0.39 -0.60 -0.00 -1.96 0.49 116.57 122.16 1xm0 h LYS 5 Ca -0.09 -0.02 0.01 0.00 -0.00 0.00 0.00 60.65 60.55 1xm0 h LYS 5 Cb 1.02 -0.07 -0.02 0.00 -0.00 0.00 0.00 32.23 33.16 1xm0 h LYS 5 CO 0.66 0.21 0.24 1.49 -0.00 0.00 0.00 179.45 182.05 1xm0 h GLU 6 N 0.32 0.47 -0.51 0.07 4.22 -1.94 -0.25 114.58 116.97 1xm0 h GLU 6 Ca 0.58 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 60.00 1xm0 h GLU 6 Cb 1.60 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 1xm0 h GLU 6 CO -0.24 0.31 0.34 1.49 -2.18 0.00 0.00 179.01 178.73 1xm0 h GLU 7 N 0.49 0.64 -0.06 1.92 4.57 -0.31 0.35 114.58 122.18 1xm0 h GLU 7 Ca 0.15 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1xm0 h GLU 7 Cb -0.02 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1xm0 h GLU 7 CO -0.05 0.42 0.04 -0.22 -1.18 0.00 0.00 179.01 178.02 1xm0 h LYS 8 N 0.66 0.00 0.00 1.92 3.64 0.37 3.13 116.57 126.29 1xm0 h LYS 8 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1xm0 h LYS 8 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1xm0 h LYS 8 CO -0.04 0.00 -0.20 0.82 -2.27 0.00 0.00 179.45 177.76 1xm0 h ILE 9 N 0.00 0.00 -0.25 2.00 5.03 0.38 -3.29 117.51 121.38 1xm0 h ILE 9 Ca 0.03 -0.56 -0.23 0.00 -0.12 0.00 0.00 64.86 63.99 1xm0 h ILE 9 Cb 0.11 1.43 -0.35 0.00 -3.03 0.00 0.00 36.82 34.98 1xm0 h ILE 9 CO -0.00 0.00 -0.98 1.17 -0.68 0.00 0.00 178.15 177.66 1xm0 n LYS 10 N -2.33 1.27 0.00 2.37 0.00 0.18 -4.85 118.16 114.80 1xm0 n LYS 10 Ca 0.05 -2.99 0.00 0.00 0.00 0.00 0.00 58.31 55.37 1xm0 n LYS 10 Cb 0.45 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.40 1xm0 n LYS 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1xm0 n SER 11 N -0.25 0.00 0.00 3.14 3.41 0.99 -4.89 113.62 116.02 1xm0 n SER 11 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1xm0 n SER 11 Cb 0.94 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1xm0 n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xm0 n LEU 12 N 0.00 0.00 -4.21 1.04 -0.00 0.49 -4.36 117.00 109.96 1xm0 n LEU 12 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 1xm0 n LEU 12 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1xm0 n LEU 12 CO 0.00 0.00 -0.52 0.54 -0.00 0.00 0.00 177.39 177.41 1xm0 s ASN 13 N 0.00 2.34 0.64 1.45 2.20 -1.26 -3.21 114.94 117.10 1xm0 s ASN 13 Ca 0.00 -0.38 0.32 0.00 -0.94 0.00 0.00 52.86 51.87 1xm0 s ASN 13 Cb 0.00 -0.25 1.77 0.00 -2.00 0.00 0.00 41.25 40.77 1xm0 s ASN 13 CO 0.00 0.23 2.04 0.03 -2.94 0.00 0.00 177.10 176.46 1xm0 h ARG 14 N 5.56 0.00 -0.05 3.55 -0.00 -1.83 0.12 114.38 121.73 1xm0 h ARG 14 Ca -0.39 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.05 1xm0 h ARG 14 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.11 1xm0 h ARG 14 CO 0.48 0.00 -0.12 1.98 0.00 0.00 0.00 179.97 182.30 1xm0 h MET 15 N 0.00 0.18 -0.69 0.04 4.05 -1.95 -3.19 114.93 113.36 1xm0 h MET 15 Ca 0.04 -0.12 0.14 0.00 -0.28 0.00 0.00 59.70 59.49 1xm0 h MET 15 Cb 0.56 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 1xm0 h MET 15 CO -0.00 0.72 0.47 0.37 0.23 0.00 0.00 176.91 178.70 1xm0 h GLN 16 N -0.34 0.32 -0.90 0.39 4.15 -1.02 0.21 115.11 117.93 1xm0 h GLN 16 Ca -0.00 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.59 1xm0 h GLN 16 Cb 0.72 -0.07 -0.11 0.00 0.21 0.00 0.00 27.48 28.23 1xm0 h GLN 16 CO 0.03 0.21 0.46 -0.92 -1.93 0.00 0.00 178.83 176.68 1xm0 h TYR 17 N 0.33 0.78 -0.10 3.99 5.03 -1.47 0.52 116.97 126.06 1xm0 h TYR 17 Ca 0.34 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.56 1xm0 h TYR 17 Cb 0.85 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1xm0 h TYR 17 CO -0.00 0.10 -0.50 1.05 -1.32 0.00 0.00 178.16 177.49 1xm0 h GLU 18 N 0.56 0.25 -0.46 1.82 -0.00 -0.72 -2.26 114.58 113.77 1xm0 h GLU 18 Ca 0.53 -0.14 -0.01 0.00 -0.00 0.00 0.00 59.36 59.73 1xm0 h GLU 18 Cb 0.88 0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.62 1xm0 h GLU 18 CO -0.43 0.70 0.24 -0.39 -0.00 0.00 0.00 179.01 179.12 1xm0 h VAL 19 N 0.20 1.15 -0.02 -1.06 -1.51 0.39 0.97 116.25 116.37 1xm0 h VAL 19 Ca 0.01 -0.40 -0.02 0.00 -1.23 0.00 0.00 66.70 65.06 1xm0 h VAL 19 Cb 0.95 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1xm0 h VAL 19 CO 0.08 0.17 -0.06 0.71 -1.23 0.00 0.00 177.57 177.24 1xm0 h THR 20 N 0.64 1.48 0.00 7.19 1.35 -1.09 2.24 112.91 124.72 1xm0 h THR 20 Ca 0.16 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1xm0 h THR 20 Cb 0.04 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1xm0 h THR 20 CO -0.03 0.40 0.00 0.00 -0.25 0.00 0.00 175.52 175.65 1xm0 n GLN 21 N -4.71 0.40 0.00 4.72 3.00 -0.82 -3.86 117.38 116.10 1xm0 n GLN 21 Ca -0.09 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1xm0 n GLN 21 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.09 1xm0 n GLN 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1xm0 n ASN 22 N -1.22 1.99 -0.33 1.08 4.05 0.33 -5.03 115.26 116.13 1xm0 n ASN 22 Ca 0.12 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.15 1xm0 n ASN 22 Cb 0.15 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.16 1xm0 n ASN 22 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1xm0 n ASN 23 N -2.42 -0.86 -2.97 1.20 4.13 0.75 -5.03 115.26 110.06 1xm0 n ASN 23 Ca 0.00 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.11 1xm0 n ASN 23 Cb 0.36 -0.21 0.11 0.00 -1.54 0.00 0.00 39.78 38.50 1xm0 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xm0 n GLY 24 N -0.33 -1.75 3.73 7.41 0.00 -1.06 -5.02 105.19 108.17 1xm0 n GLY 24 Ca 0.00 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1xm0 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xm0 s THR 25 N -2.30 5.01 0.32 2.61 2.01 -1.26 -4.99 115.64 117.04 1xm0 s THR 25 Ca 0.37 1.37 -0.28 0.00 0.31 0.00 0.00 61.69 63.46 1xm0 s THR 25 Cb -0.02 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 1xm0 s THR 25 CO 0.27 0.30 1.16 -1.83 -0.69 0.00 0.00 174.62 173.82 1xm0 s GLU 26 N 0.53 4.43 0.14 4.92 4.04 -1.26 -4.94 118.70 126.56 1xm0 s GLU 26 Ca 0.35 1.89 -0.16 0.00 0.04 0.00 0.00 54.97 57.09 1xm0 s GLU 26 Cb -0.18 -3.02 0.09 0.00 0.02 0.00 0.00 34.13 31.04 1xm0 s GLU 26 CO 0.18 -0.01 1.08 -2.30 -1.84 0.00 0.00 175.26 172.37 1xm0 n PRO 27 N 0.80 -0.22 -0.89 -4.83 -0.01 -1.26 -4.65 135.00 123.93 1xm0 n PRO 27 Ca 0.01 1.07 -0.29 0.00 -0.01 0.00 0.00 63.50 64.27 1xm0 n PRO 27 Cb 0.45 -1.58 0.02 0.00 -0.01 0.00 0.00 33.50 32.38 1xm0 n PRO 27 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1xm0 n PRO 28 N -4.97 0.00 -0.03 0.52 -0.01 -1.26 -4.97 135.00 124.28 1xm0 n PRO 28 Ca 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 63.50 63.47 1xm0 n PRO 28 Cb 0.24 -0.77 -0.02 0.00 -0.01 0.00 0.00 33.50 32.94 1xm0 n PRO 28 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 175.50 176.68 1xm0 n PHE 29 N -1.42 0.00 -2.71 6.00 3.72 -1.26 -4.99 117.46 116.80 1xm0 n PHE 29 Ca 0.04 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.37 1xm0 n PHE 29 Cb 0.38 -0.25 0.07 0.00 -0.94 0.00 0.00 39.48 38.75 1xm0 n PHE 29 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1xm0 n GLN 30 N -3.38 0.53 0.00 -1.08 -0.06 -1.26 -5.01 117.38 107.12 1xm0 n GLN 30 Ca -0.13 -1.30 0.00 0.00 -2.00 0.00 0.00 57.00 53.57 1xm0 n GLN 30 Cb 0.55 -0.83 0.00 0.00 -4.06 0.00 0.00 30.24 25.90 1xm0 n GLN 30 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1xm0 n ASN 31 N 1.24 0.00 0.21 1.69 0.23 -1.26 -5.02 115.26 112.35 1xm0 n ASN 31 Ca 0.04 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.22 1xm0 n ASN 31 Cb 0.68 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.72 1xm0 n ASN 31 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1xm0 h GLU 32 N 0.00 0.00 -0.28 -3.83 4.11 -1.95 -2.80 114.58 109.84 1xm0 h GLU 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xm0 h GLU 32 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xm0 h GLU 32 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 179.01 181.56 1xm0 n TYR 33 N -2.92 0.36 -3.18 2.06 4.11 -1.26 0.20 117.16 116.52 1xm0 n TYR 33 Ca 0.03 -0.27 -0.21 0.00 -0.00 0.00 0.00 57.90 57.46 1xm0 n TYR 33 Cb 0.45 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.34 39.72 1xm0 n TYR 33 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.86 174.19 1xm0 n TRP 34 N 0.94 -1.51 -2.20 -3.48 4.27 -1.06 -4.88 117.44 109.53 1xm0 n TRP 34 Ca 0.13 -2.90 0.04 0.00 -3.89 0.00 0.00 57.50 50.88 1xm0 n TRP 34 Cb 0.46 0.44 0.04 0.00 -1.36 0.00 0.00 31.31 30.89 1xm0 n TRP 34 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 1xm0 n ASP 35 N 2.43 0.92 0.00 -0.67 5.75 -1.23 -4.76 116.55 118.99 1xm0 n ASP 35 Ca 0.24 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1xm0 n ASP 35 Cb 0.52 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1xm0 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xm0 n HIS 36 N 0.08 0.00 0.00 2.11 1.44 -1.26 -5.13 115.22 112.46 1xm0 n HIS 36 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1xm0 n HIS 36 Cb 0.96 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.07 1xm0 n HIS 36 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1xm0 n LYS 37 N 0.00 0.00 -0.11 -1.40 5.02 -1.26 -4.85 118.16 115.55 1xm0 n LYS 37 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1xm0 n LYS 37 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xm0 n LYS 37 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1xm0 n GLU 38 N 0.00 -0.23 -3.66 1.97 2.13 -1.26 -4.96 120.64 114.64 1xm0 n GLU 38 Ca 0.00 0.15 -0.10 0.00 0.66 0.00 0.00 57.16 57.87 1xm0 n GLU 38 Cb 0.00 -0.28 -0.04 0.00 0.27 0.00 0.00 31.44 31.40 1xm0 n GLU 38 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1xm0 s GLU 39 N -0.34 1.26 0.00 5.31 2.02 -1.26 -4.98 118.70 120.70 1xm0 s GLU 39 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1xm0 s GLU 39 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1xm0 s GLU 39 CO 0.00 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.17 1xm0 n GLY 40 N -0.31 0.48 3.37 -1.39 0.00 -1.26 -1.91 105.19 104.18 1xm0 n GLY 40 Ca -0.13 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 1xm0 n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xm0 s LEU 41 N 0.00 2.39 -0.02 0.99 1.43 -0.90 0.25 118.68 122.81 1xm0 s LEU 41 Ca 0.00 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 1xm0 s LEU 41 Cb 0.00 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.11 1xm0 s LEU 41 CO 0.00 0.09 0.32 -0.31 0.23 0.00 0.00 176.35 176.68 1xm0 s TYR 42 N -1.54 3.66 -0.19 0.29 1.51 0.78 -0.54 117.35 121.32 1xm0 s TYR 42 Ca 0.16 0.80 -0.05 0.00 -1.01 0.00 0.00 57.07 56.96 1xm0 s TYR 42 Cb -0.08 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1xm0 s TYR 42 CO 0.07 0.65 0.01 0.08 -1.11 0.00 0.00 175.55 175.26 1xm0 s VAL 43 N -1.12 4.14 -0.27 0.71 1.01 1.04 0.42 120.40 126.32 1xm0 s VAL 43 Ca 0.23 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1xm0 s VAL 43 Cb -0.15 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1xm0 s VAL 43 CO 0.12 0.44 1.51 1.51 0.00 0.00 0.00 175.10 178.69 1xm0 s ASP 44 N 0.74 6.42 0.00 3.32 1.47 1.26 -1.71 116.67 128.17 1xm0 s ASP 44 Ca 0.01 1.39 0.00 0.00 1.18 0.00 0.00 52.55 55.12 1xm0 s ASP 44 Cb -0.14 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 1xm0 s ASP 44 CO 0.02 -1.26 0.00 0.00 0.68 0.00 0.00 175.17 174.61 1xm0 n ILE 45 N 6.50 0.00 -2.20 2.11 3.06 -0.83 -4.24 119.36 123.76 1xm0 n ILE 45 Ca 0.18 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.44 1xm0 n ILE 45 Cb 0.46 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.64 1xm0 n ILE 45 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1xm0 n VAL 46 N 0.00 0.00 0.00 9.51 0.31 -1.26 -4.46 118.33 122.43 1xm0 n VAL 46 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1xm0 n VAL 46 Cb 0.00 0.66 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1xm0 n VAL 46 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xm0 n SER 47 N 0.20 0.00 -0.08 4.52 7.64 -1.26 -2.66 113.62 121.98 1xm0 n SER 47 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1xm0 n SER 47 Cb 0.86 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.94 1xm0 n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xm0 n GLY 48 N 0.00 -0.58 3.50 0.23 0.00 -1.26 -4.83 105.19 102.25 1xm0 n GLY 48 Ca 0.00 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 1xm0 n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xm0 n LYS 49 N -3.85 1.00 0.00 1.61 4.81 -1.09 -4.80 118.16 115.85 1xm0 n LYS 49 Ca -0.39 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1xm0 n LYS 49 Cb 0.90 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1xm0 n LYS 49 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xm0 n PRO 50 N 8.52 0.33 0.00 1.64 -0.04 -1.26 0.39 135.00 144.58 1xm0 n PRO 50 Ca 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1xm0 n PRO 50 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1xm0 n PRO 50 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xm0 n LEU 51 N 0.00 0.00 -3.97 1.53 7.94 0.17 -2.69 117.00 119.97 1xm0 n LEU 51 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1xm0 n LEU 51 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1xm0 n LEU 51 CO 0.00 0.00 -0.24 -0.36 -1.11 0.00 0.00 177.39 175.68 1xm0 s PHE 52 N -0.02 0.32 0.53 1.96 0.08 -1.09 -4.72 117.98 115.04 1xm0 s PHE 52 Ca 0.00 -0.76 0.02 0.00 0.12 0.00 0.00 56.93 56.31 1xm0 s PHE 52 Cb 0.00 -0.22 0.01 0.00 -0.57 0.00 0.00 43.02 42.24 1xm0 s PHE 52 CO 0.00 -0.42 0.14 0.95 -0.10 0.00 0.00 175.22 175.79 1xm0 s THR 53 N -3.48 1.28 0.40 0.64 -4.23 -1.25 0.27 115.64 109.27 1xm0 s THR 53 Ca 0.03 -1.83 0.13 0.00 -1.18 0.00 0.00 61.69 58.84 1xm0 s THR 53 Cb 0.04 -2.11 0.34 0.00 1.34 0.00 0.00 72.50 72.12 1xm0 s THR 53 CO -0.09 0.00 1.91 0.77 -0.54 0.00 0.00 174.62 176.67 1xm0 h SER 54 N 1.13 0.48 0.10 3.99 4.64 0.30 1.23 113.55 125.42 1xm0 h SER 54 Ca -0.42 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1xm0 h SER 54 Cb 1.32 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xm0 h SER 54 CO 0.68 0.25 0.00 1.17 -0.87 0.00 0.00 176.83 178.06 1xm0 n LYS 55 N -4.50 0.14 -1.18 4.77 4.81 -1.26 -4.76 118.16 116.19 1xm0 n LYS 55 Ca 0.15 0.15 -0.06 0.00 -0.87 0.00 0.00 58.31 57.69 1xm0 n LYS 55 Cb 0.51 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.03 1xm0 n LYS 55 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xm0 n ASP 56 N -1.20 -4.13 -1.05 3.14 2.03 0.42 -4.34 116.55 111.42 1xm0 n ASP 56 Ca 0.04 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1xm0 n ASP 56 Cb 0.05 -2.17 0.00 0.00 -0.72 0.00 0.00 41.12 38.28 1xm0 n ASP 56 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xm0 n LYS 57 N -2.29 -0.09 0.00 -0.67 4.76 -1.22 -3.65 118.16 115.01 1xm0 n LYS 57 Ca -0.06 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1xm0 n LYS 57 Cb 0.27 0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 1xm0 n LYS 57 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1xm0 n PHE 58 N -0.22 0.00 -1.30 2.13 7.35 -1.19 0.12 117.46 124.35 1xm0 n PHE 58 Ca 0.00 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.84 1xm0 n PHE 58 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 1xm0 n PHE 58 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1xm0 n ASP 59 N 0.00 -6.82 -2.97 -2.13 -0.08 -1.24 -4.94 116.55 98.37 1xm0 n ASP 59 Ca 0.00 1.06 -0.14 0.00 -1.51 0.00 0.00 54.79 54.20 1xm0 n ASP 59 Cb 0.00 -4.31 0.02 0.00 2.34 0.00 0.00 41.12 39.16 1xm0 n ASP 59 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1xm0 n SER 60 N -4.21 -7.51 -4.61 1.67 7.64 -1.26 -4.94 113.62 100.40 1xm0 n SER 60 Ca -0.06 0.40 -0.41 0.00 1.01 0.00 0.00 58.87 59.82 1xm0 n SER 60 Cb 0.61 -4.72 -0.07 0.00 -1.01 0.00 0.00 64.21 59.02 1xm0 n SER 60 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xm0 s GLN 61 N -2.59 3.96 -0.30 1.43 1.11 -1.26 -4.98 119.66 117.03 1xm0 s GLN 61 Ca 0.27 0.30 -0.16 0.00 0.01 0.00 0.00 55.36 55.79 1xm0 s GLN 61 Cb -0.06 -3.70 0.18 0.00 -1.01 0.00 0.00 33.01 28.41 1xm0 s GLN 61 CO 0.79 -0.48 1.16 0.00 0.01 0.00 0.00 175.29 176.77 1xm0 n GLY 63 N 5.34 1.23 3.85 0.00 0.00 -1.26 -5.03 105.19 109.32 1xm0 n GLY 63 Ca -0.02 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1xm0 n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xm0 s TRP 64 N 0.00 3.44 -0.11 1.61 0.51 -1.26 -5.07 118.94 118.07 1xm0 s TRP 64 Ca 0.00 0.31 -0.30 0.00 -2.12 0.00 0.00 56.10 54.00 1xm0 s TRP 64 Cb 0.00 -1.80 -0.03 0.00 -0.81 0.00 0.00 33.47 30.83 1xm0 s TRP 64 CO 0.00 0.61 1.38 -1.25 -0.51 0.00 0.00 176.95 177.18 1xm0 s PRO 65 N -1.74 4.23 -0.08 4.98 0.04 -1.26 -5.01 135.00 136.16 1xm0 s PRO 65 Ca 0.24 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 1xm0 s PRO 65 Cb -0.12 -3.78 0.03 0.00 0.04 0.00 0.00 34.50 30.66 1xm0 s PRO 65 CO 0.15 -0.71 0.31 -1.54 0.04 0.00 0.00 177.00 175.26 1xm0 s SER 66 N 2.29 -0.28 -0.02 6.66 1.04 -1.26 -4.51 113.70 117.61 1xm0 s SER 66 Ca 0.61 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.49 1xm0 s SER 66 Cb -0.26 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.43 1xm0 s SER 66 CO 0.21 -0.22 0.02 -0.36 0.98 0.00 0.00 173.24 173.86 1xm0 s PHE 67 N -0.34 0.15 0.00 5.02 0.40 0.29 -4.82 117.98 118.67 1xm0 s PHE 67 Ca -0.05 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1xm0 s PHE 67 Cb -0.03 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.18 1xm0 s PHE 67 CO 0.02 -0.11 0.00 -2.37 0.70 0.00 0.00 175.22 173.46 1xm0 n THR 68 N 4.19 0.00 0.00 0.64 5.66 0.32 0.43 114.28 125.53 1xm0 n THR 68 Ca -0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1xm0 n THR 68 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1xm0 n THR 68 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xm0 n LYS 69 N 0.00 0.00 -0.10 1.09 5.02 0.11 -3.18 118.16 121.09 1xm0 n LYS 69 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1xm0 n LYS 69 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.11 1xm0 n LYS 69 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xm0 n PRO 70 N 0.00 2.35 -4.56 1.97 -0.04 -1.26 -2.07 135.00 131.39 1xm0 n PRO 70 Ca 0.00 -1.72 -0.34 0.00 -0.04 0.00 0.00 63.50 61.40 1xm0 n PRO 70 Cb 0.00 -1.19 -0.12 0.00 -0.04 0.00 0.00 33.50 32.15 1xm0 n PRO 70 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1xm0 s ILE 71 N -0.94 3.70 -0.16 0.52 2.07 -1.26 -5.06 121.20 120.08 1xm0 s ILE 71 Ca 0.16 -0.45 -0.06 0.00 -1.41 0.00 0.00 60.65 58.89 1xm0 s ILE 71 Cb 0.08 -2.56 0.08 0.00 0.13 0.00 0.00 42.46 40.19 1xm0 s ILE 71 CO 0.11 0.55 0.32 -1.83 -1.91 0.00 0.00 174.94 172.19 1xm0 s GLU 72 N -0.21 0.22 -0.84 3.50 -1.05 -1.26 -4.91 118.70 114.15 1xm0 s GLU 72 Ca 0.03 0.85 0.01 0.00 -0.15 0.00 0.00 54.97 55.72 1xm0 s GLU 72 Cb -0.13 0.09 0.32 0.00 -0.44 0.00 0.00 34.13 33.97 1xm0 s GLU 72 CO 0.03 -0.28 1.37 0.39 0.95 0.00 0.00 175.26 177.71 1xm0 n GLU 73 N 5.37 4.26 -2.96 -4.83 1.02 -1.26 -4.94 120.64 117.30 1xm0 n GLU 73 Ca -0.07 -4.73 -0.01 0.00 -0.02 0.00 0.00 57.16 52.33 1xm0 n GLU 73 Cb 0.50 -2.37 -0.01 0.00 -0.02 0.00 0.00 31.44 29.53 1xm0 n GLU 73 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xm0 n GLU 74 N 0.14 -2.00 -3.95 3.49 1.02 -1.26 -4.87 120.64 113.20 1xm0 n GLU 74 Ca 0.37 1.81 -0.13 0.00 -0.02 0.00 0.00 57.16 59.19 1xm0 n GLU 74 Cb 0.33 -2.66 -0.14 0.00 -0.02 0.00 0.00 31.44 28.95 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1xm0 s VAL 75 N -0.86 0.12 0.18 2.62 -7.23 -1.25 -3.34 120.40 110.64 1xm0 s VAL 75 Ca -0.05 -0.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.10 1xm0 s VAL 75 Cb 0.00 -0.11 -0.03 0.00 0.56 0.00 0.00 36.38 36.80 1xm0 s VAL 75 CO 0.32 0.04 0.29 -1.61 -0.31 0.00 0.00 175.10 173.82 1xm0 s GLU 76 N -0.01 3.37 0.06 4.82 2.02 0.39 -4.77 118.70 124.58 1xm0 s GLU 76 Ca 0.00 -0.68 -0.09 0.00 0.02 0.00 0.00 54.97 54.22 1xm0 s GLU 76 Cb -0.01 -2.90 -0.05 0.00 0.10 0.00 0.00 34.13 31.27 1xm0 s GLU 76 CO -0.00 0.49 0.36 -1.21 0.02 0.00 0.00 175.26 174.92 1xm0 s GLU 77 N -3.45 3.71 0.11 1.61 8.01 -1.22 -0.58 118.70 126.89 1xm0 s GLU 77 Ca 0.34 0.10 0.06 0.00 0.01 0.00 0.00 54.97 55.47 1xm0 s GLU 77 Cb -0.10 -3.01 -0.04 0.00 -4.31 0.00 0.00 34.13 26.67 1xm0 s GLU 77 CO 0.28 0.58 -0.14 0.21 0.01 0.00 0.00 175.26 176.20 1xm0 s LYS 78 N -1.91 0.98 -0.15 1.61 2.20 0.33 -4.83 119.74 117.98 1xm0 s LYS 78 Ca 0.32 -1.17 -0.17 0.00 -0.36 0.00 0.00 55.97 54.58 1xm0 s LYS 78 Cb -0.14 -0.91 -0.04 0.00 -1.51 0.00 0.00 37.83 35.23 1xm0 s LYS 78 CO 0.18 0.18 0.44 -1.17 -0.36 0.00 0.00 175.35 174.63 1xm0 s LEU 79 N -2.28 4.23 0.14 5.43 2.96 -1.26 -2.05 118.68 125.86 1xm0 s LEU 79 Ca 0.06 0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 54.58 1xm0 s LEU 79 Cb -0.06 -2.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.94 1xm0 s LEU 79 CO 0.03 -0.03 0.47 -0.62 -1.32 0.00 0.00 176.35 174.88 1xm0 s ASP 80 N 0.75 6.65 0.00 3.68 2.15 -1.26 -5.02 116.67 123.62 1xm0 s ASP 80 Ca 0.23 0.86 0.00 0.00 0.43 0.00 0.00 52.55 54.07 1xm0 s ASP 80 Cb -0.15 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1xm0 s ASP 80 CO 0.09 0.07 0.00 0.41 -0.17 0.00 0.00 175.17 175.57 1xm0 n THR 81 N 0.47 0.00 0.00 1.71 -1.04 -1.26 -4.61 114.28 109.55 1xm0 n THR 81 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1xm0 n THR 81 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1xm0 n THR 81 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1xm0 n SER 82 N 0.00 0.00 0.00 8.00 3.41 -1.26 -4.55 113.62 119.22 1xm0 n SER 82 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1xm0 n SER 82 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1xm0 n SER 82 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xm0 n HIS 83 N 0.00 0.00 0.22 7.33 -0.00 -1.26 -4.98 115.22 116.53 1xm0 n HIS 83 Ca 0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 1xm0 n HIS 83 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 1xm0 n HIS 83 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1xm0 h GLY 84 N 0.00 -0.82 -5.39 1.57 0.00 -1.97 -3.40 103.07 93.06 1xm0 h GLY 84 Ca 0.00 0.40 -0.67 0.00 0.00 0.00 0.00 47.33 47.06 1xm0 h GLY 84 CO 0.00 -0.30 -0.66 1.06 0.00 0.00 0.00 176.54 176.64 1xm0 s MET 85 N -6.00 3.10 -0.19 4.80 1.00 -1.26 -5.10 119.30 115.64 1xm0 s MET 85 Ca -0.17 -0.50 -0.00 0.00 0.00 0.00 0.00 55.69 55.02 1xm0 s MET 85 Cb 0.06 -2.75 0.01 0.00 0.00 0.00 0.00 34.83 32.15 1xm0 s MET 85 CO 0.63 0.55 -0.16 -1.50 0.00 0.00 0.00 175.02 174.53 1xm0 s ILE 86 N -0.47 2.38 0.18 2.53 2.07 -1.26 -4.93 121.20 121.69 1xm0 s ILE 86 Ca 0.07 -0.83 -0.10 0.00 -1.41 0.00 0.00 60.65 58.38 1xm0 s ILE 86 Cb -0.12 -2.02 -0.00 0.00 0.13 0.00 0.00 42.46 40.44 1xm0 s ILE 86 CO 0.02 0.51 0.33 0.00 -1.91 0.00 0.00 174.94 173.90 1xm0 s ARG 87 N 1.31 1.23 -0.30 3.50 3.03 -1.26 -5.13 118.95 121.34 1xm0 s ARG 87 Ca 0.05 -1.16 -0.15 0.00 2.03 0.00 0.00 55.73 56.50 1xm0 s ARG 87 Cb -0.13 0.40 -0.03 0.00 -1.03 0.00 0.00 34.95 34.16 1xm0 s ARG 87 CO -0.10 -0.47 0.38 0.99 -1.13 0.00 0.00 175.30 174.97 1xm0 s THR 88 N -3.97 5.16 -0.03 4.99 2.01 -1.26 -4.33 115.64 118.20 1xm0 s THR 88 Ca 0.18 0.39 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 1xm0 s THR 88 Cb 0.02 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1xm0 s THR 88 CO 0.01 0.05 0.42 -1.61 -0.69 0.00 0.00 174.62 172.80 1xm0 s GLU 89 N 2.08 4.04 -0.17 4.92 2.02 -0.87 -2.40 118.70 128.32 1xm0 s GLU 89 Ca 0.14 0.41 -0.05 0.00 0.02 0.00 0.00 54.97 55.49 1xm0 s GLU 89 Cb -0.16 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 1xm0 s GLU 89 CO 0.11 0.54 0.01 0.14 0.02 0.00 0.00 175.26 176.08 1xm0 s VAL 90 N -0.60 4.27 0.17 2.63 -7.23 0.57 0.12 120.40 120.33 1xm0 s VAL 90 Ca 0.24 -0.22 0.06 0.00 -1.81 0.00 0.00 61.98 60.25 1xm0 s VAL 90 Cb -0.16 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 1xm0 s VAL 90 CO 0.12 0.47 -0.13 0.00 -0.31 0.00 0.00 175.10 175.25 1xm0 s ARG 91 N 0.47 1.19 0.62 4.82 1.70 0.26 0.18 118.95 128.18 1xm0 s ARG 91 Ca -0.00 -1.48 -0.07 0.00 -0.47 0.00 0.00 55.73 53.70 1xm0 s ARG 91 Cb -0.14 -0.94 0.01 0.00 -0.57 0.00 0.00 34.95 33.31 1xm0 s ARG 91 CO 0.02 0.15 0.95 -1.12 -1.08 0.00 0.00 175.30 174.23 1xm0 s SER 92 N -3.09 5.59 0.10 -2.89 0.01 -0.03 0.15 113.70 113.53 1xm0 s SER 92 Ca 0.18 0.85 -0.16 0.00 1.31 0.00 0.00 55.95 58.13 1xm0 s SER 92 Cb -0.01 -1.80 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 1xm0 s SER 92 CO 0.04 -1.12 1.48 0.08 0.41 0.00 0.00 173.24 174.13 1xm0 h ARG 93 N -0.30 0.61 -0.56 12.44 0.11 -1.89 -2.82 114.38 121.97 1xm0 h ARG 93 Ca -0.45 -0.25 0.05 0.00 0.10 0.00 0.00 59.98 59.43 1xm0 h ARG 93 Cb 1.25 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 32.27 1xm0 h ARG 93 CO 0.62 0.81 0.37 0.00 0.10 0.00 0.00 179.97 181.87 1xm0 h THR 94 N 0.37 1.01 0.00 0.08 1.03 -1.94 -3.47 112.91 109.99 1xm0 h THR 94 Ca 0.07 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1xm0 h THR 94 Cb 0.61 0.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.09 1xm0 h THR 94 CO 0.04 0.10 0.00 0.00 -0.01 0.00 0.00 175.52 175.65 1xm0 n ALA 95 N -2.48 0.00 -0.67 0.00 0.00 -1.06 -4.99 120.51 111.30 1xm0 n ALA 95 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 1xm0 n ALA 95 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.66 1xm0 n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xm0 n ASP 96 N 0.09 5.69 0.00 0.00 5.75 -1.26 -0.85 116.55 125.97 1xm0 n ASP 96 Ca 0.00 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1xm0 n ASP 96 Cb 0.00 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 38.96 1xm0 n ASP 96 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1xm0 n SER 97 N 1.22 0.00 -4.77 -1.12 2.88 -1.26 -4.55 113.62 106.02 1xm0 n SER 97 Ca 0.13 0.81 -0.40 0.00 -1.33 0.00 0.00 58.87 58.08 1xm0 n SER 97 Cb 0.55 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 1xm0 n SER 97 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1xm0 s HIS 98 N -2.25 3.23 -0.02 0.66 5.65 -1.26 -4.82 115.29 116.48 1xm0 s HIS 98 Ca 0.00 1.54 0.05 0.00 0.25 0.00 0.00 55.06 56.89 1xm0 s HIS 98 Cb 0.00 -3.49 -0.07 0.00 -1.18 0.00 0.00 32.58 27.84 1xm0 s HIS 98 CO 0.00 -1.32 0.11 1.28 -0.65 0.00 0.00 174.74 174.16 1xm0 n LEU 99 N 0.80 0.02 0.00 8.88 7.99 0.47 -2.01 117.00 133.15 1xm0 n LEU 99 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1xm0 n LEU 99 Cb 0.44 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 1xm0 n LEU 99 CO 0.56 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.05 1xm0 n GLY 100 N 2.14 0.00 2.89 -0.72 0.00 0.17 -1.29 105.19 108.38 1xm0 n GLY 100 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1xm0 n GLY 100 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xm0 s HIS 101 N 0.00 0.96 0.04 1.61 2.46 -1.10 -0.31 115.29 118.95 1xm0 s HIS 101 Ca 0.00 -0.34 0.03 0.00 0.47 0.00 0.00 55.06 55.23 1xm0 s HIS 101 Cb 0.00 -0.85 -0.02 0.00 -0.13 0.00 0.00 32.58 31.58 1xm0 s HIS 101 CO 0.00 -0.29 -0.10 0.54 -2.47 0.00 0.00 174.74 172.42 1xm0 s VAL 102 N 1.24 0.78 -0.13 0.89 0.11 -1.01 0.22 120.40 122.50 1xm0 s VAL 102 Ca -0.05 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1xm0 s VAL 102 Cb -0.14 -0.76 -0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1xm0 s VAL 102 CO -0.02 -0.17 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.03 1xm0 s PHE 103 N -1.02 2.69 0.26 1.54 0.08 0.60 -4.59 117.98 117.54 1xm0 s PHE 103 Ca -0.04 -0.99 -0.07 0.00 0.12 0.00 0.00 56.93 55.96 1xm0 s PHE 103 Cb -0.08 -1.80 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 1xm0 s PHE 103 CO 0.01 -0.41 0.55 1.21 -0.10 0.00 0.00 175.22 176.48 1xm0 s ASN 104 N 0.53 6.53 0.00 1.36 3.84 -1.26 -1.33 114.94 124.62 1xm0 s ASN 104 Ca -0.12 0.82 0.00 0.00 0.21 0.00 0.00 52.86 53.77 1xm0 s ASN 104 Cb -0.16 -2.18 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1xm0 s ASN 104 CO 0.04 -0.13 0.00 0.47 -2.79 0.00 0.00 177.10 174.69 1xm0 n ASP 105 N -0.51 0.00 -0.80 -4.21 9.92 -0.29 -4.93 116.55 115.73 1xm0 n ASP 105 Ca -0.01 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.35 1xm0 n ASP 105 Cb 0.53 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.96 1xm0 n ASP 105 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xm0 n GLY 106 N 0.00 -2.93 1.14 0.44 0.00 -1.26 -3.09 105.19 99.49 1xm0 n GLY 106 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 1xm0 n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xm0 n PRO 107 N -3.33 2.04 0.01 1.61 -0.04 -1.26 -4.61 135.00 129.41 1xm0 n PRO 107 Ca -0.05 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1xm0 n PRO 107 Cb 0.38 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1xm0 n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xm0 n GLY 108 N 0.12 -1.69 3.56 0.55 0.00 -1.26 -5.15 105.19 101.32 1xm0 n GLY 108 Ca 0.14 0.41 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 1xm0 n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xm0 n PRO 109 N -2.53 -0.50 -0.35 1.61 -0.04 -1.26 -4.84 135.00 127.10 1xm0 n PRO 109 Ca 0.00 -0.09 0.25 0.00 -0.04 0.00 0.00 63.50 63.62 1xm0 n PRO 109 Cb 0.00 -2.17 0.51 0.00 -0.04 0.00 0.00 33.50 31.80 1xm0 n PRO 109 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1xm0 h ASN 110 N -1.81 0.45 0.00 3.54 7.08 -1.79 -3.43 115.58 119.61 1xm0 h ASN 110 Ca -0.44 0.12 0.00 0.00 -3.08 0.00 0.00 56.30 52.90 1xm0 h ASN 110 Cb 1.28 0.05 0.00 0.00 -2.08 0.00 0.00 38.32 37.57 1xm0 h ASN 110 CO 0.39 0.01 0.00 0.61 -2.08 0.00 0.00 177.43 176.35 1xm0 n GLY 111 N -1.43 -0.47 3.42 9.14 0.00 -1.18 -4.59 105.19 110.08 1xm0 n GLY 111 Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1xm0 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xm0 s LEU 112 N 0.00 3.44 -0.18 0.99 1.43 -0.88 -1.14 118.68 122.35 1xm0 s LEU 112 Ca 0.00 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1xm0 s LEU 112 Cb 0.00 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.38 1xm0 s LEU 112 CO 0.00 -0.05 0.10 -0.13 0.23 0.00 0.00 176.35 176.50 1xm0 s ARG 113 N 1.59 0.08 -0.15 1.70 0.52 -0.44 0.05 118.95 122.30 1xm0 s ARG 113 Ca 0.06 -0.08 -0.00 0.00 -0.52 0.00 0.00 55.73 55.19 1xm0 s ARG 113 Cb -0.15 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.56 1xm0 s ARG 113 CO 0.03 -0.69 -0.14 0.71 0.02 0.00 0.00 175.30 175.24 1xm0 s TYR 114 N 2.15 2.80 -0.32 -0.53 2.02 0.17 0.22 117.35 123.86 1xm0 s TYR 114 Ca 0.03 -0.87 -0.09 0.00 -0.37 0.00 0.00 57.07 55.76 1xm0 s TYR 114 Cb -0.16 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1xm0 s TYR 114 CO -0.11 -0.37 0.15 0.00 -1.57 0.00 0.00 175.55 173.65 1xm0 s ILE 116 N 1.56 2.77 0.39 0.00 -1.09 -1.26 -2.71 121.20 120.86 1xm0 s ILE 116 Ca 0.03 -1.85 0.08 0.00 -2.23 0.00 0.00 60.65 56.68 1xm0 s ILE 116 Cb -0.18 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 1xm0 s ILE 116 CO 0.05 -0.12 0.39 0.20 -1.23 0.00 0.00 174.94 174.23 1xm0 s ASN 117 N -2.76 5.23 0.16 3.58 0.01 -1.26 -4.46 114.94 115.44 1xm0 s ASN 117 Ca 0.23 -0.62 -0.13 0.00 -0.71 0.00 0.00 52.86 51.63 1xm0 s ASN 117 Cb -0.08 -0.71 0.05 0.00 0.41 0.00 0.00 41.25 40.93 1xm0 s ASN 117 CO 0.13 -0.59 1.72 0.77 -1.51 0.00 0.00 177.10 177.62 1xm0 h SER 118 N 1.02 0.75 -0.00 -1.22 4.64 0.20 1.42 113.55 120.36 1xm0 h SER 118 Ca -0.42 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1xm0 h SER 118 Cb 1.26 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1xm0 h SER 118 CO 0.56 0.72 0.00 0.00 -0.87 0.00 0.00 176.83 177.24 1xm0 n ALA 119 N -2.35 2.64 -0.39 5.18 0.00 -1.26 -2.52 120.51 121.81 1xm0 n ALA 119 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xm0 n ALA 119 Cb 0.16 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1xm0 n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xm0 n ALA 120 N -0.87 1.60 -2.29 0.00 0.00 -0.18 -5.04 120.51 113.74 1xm0 n ALA 120 Ca 0.18 -0.75 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 1xm0 n ALA 120 Cb 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 1xm0 n ALA 120 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1xm0 s LEU 121 N -0.54 2.02 -0.05 0.00 0.05 0.47 -1.96 118.68 118.68 1xm0 s LEU 121 Ca 0.00 -0.86 0.00 0.00 0.05 0.00 0.00 54.13 53.33 1xm0 s LEU 121 Cb 0.00 0.56 0.02 0.00 -2.05 0.00 0.00 46.19 44.72 1xm0 s LEU 121 CO 0.00 -0.66 -0.03 -0.60 -0.55 0.00 0.00 176.35 174.51 1xm0 s ARG 122 N -3.90 0.67 -0.11 1.48 3.00 -0.69 -4.73 118.95 114.66 1xm0 s ARG 122 Ca 0.07 -0.03 -0.06 0.00 -1.00 0.00 0.00 55.73 54.71 1xm0 s ARG 122 Cb 0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 34.95 34.20 1xm0 s ARG 122 CO -0.10 -0.13 0.11 0.12 0.00 0.00 0.00 175.30 175.30 1xm0 s PHE 123 N 1.12 3.51 -0.03 5.12 5.36 -1.26 0.34 117.98 132.14 1xm0 s PHE 123 Ca -0.08 0.46 0.01 0.00 -0.96 0.00 0.00 56.93 56.36 1xm0 s PHE 123 Cb -0.14 -1.91 0.01 0.00 -0.34 0.00 0.00 43.02 40.65 1xm0 s PHE 123 CO -0.01 0.68 -0.04 0.54 -1.46 0.00 0.00 175.22 174.93 1xm0 s VAL 124 N -1.00 0.48 0.19 3.12 0.11 0.30 -4.97 120.40 118.62 1xm0 s VAL 124 Ca 0.15 -0.14 -0.33 0.00 -2.93 0.00 0.00 61.98 58.73 1xm0 s VAL 124 Cb -0.12 -0.48 -0.14 0.00 -1.53 0.00 0.00 36.38 34.11 1xm0 s VAL 124 CO 0.04 0.19 1.39 -0.81 -3.33 0.00 0.00 175.10 172.57 1xm0 n PRO 125 N 3.70 1.78 0.32 1.54 -0.04 -1.26 -2.13 135.00 138.90 1xm0 n PRO 125 Ca -0.22 0.64 0.20 0.00 -0.04 0.00 0.00 63.50 64.08 1xm0 n PRO 125 Cb 0.53 -2.28 1.09 0.00 -0.04 0.00 0.00 33.50 32.80 1xm0 n PRO 125 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xm0 h LYS 126 N 4.44 0.00 0.00 0.54 3.64 -1.73 2.61 116.57 126.07 1xm0 h LYS 126 Ca -0.45 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.72 1xm0 h LYS 126 Cb 1.29 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 1xm0 h LYS 126 CO 0.78 0.00 -1.52 0.72 -2.27 0.00 0.00 179.45 177.15 1xm0 n HIS 127 N -2.94 0.98 0.74 1.91 -0.00 -1.26 -3.83 115.22 110.82 1xm0 n HIS 127 Ca -0.03 0.34 0.08 0.00 -0.00 0.00 0.00 57.72 58.11 1xm0 n HIS 127 Cb 0.10 -1.12 -0.02 0.00 -0.00 0.00 0.00 29.99 28.95 1xm0 n HIS 127 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1xm0 n LYS 128 N -2.94 1.66 0.21 -0.41 0.00 -0.74 -4.32 118.16 111.63 1xm0 n LYS 128 Ca -0.12 -0.63 0.07 0.00 0.00 0.00 0.00 58.31 57.63 1xm0 n LYS 128 Cb 0.91 -1.28 0.59 0.00 0.00 0.00 0.00 35.03 35.25 1xm0 n LYS 128 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1xm0 h LEU 129 N 1.41 0.08 -0.77 3.14 -0.00 0.44 0.35 115.31 119.97 1xm0 h LEU 129 Ca 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1xm0 h LEU 129 Cb 0.52 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.10 1xm0 h LEU 129 CO 0.00 0.08 0.45 0.50 -0.00 0.00 0.00 178.44 179.47 1xm0 h LYS 130 N 0.09 0.80 0.00 0.17 3.64 -1.77 0.38 116.57 119.88 1xm0 h LYS 130 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xm0 h LYS 130 Cb 0.02 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1xm0 h LYS 130 CO -0.00 0.53 0.00 0.39 -2.27 0.00 0.00 179.45 178.10 1xm0 n GLU 131 N -4.71 0.06 -0.00 1.90 -0.58 0.12 -0.56 120.64 116.87 1xm0 n GLU 131 Ca 0.11 0.28 0.10 0.00 -0.42 0.00 0.00 57.16 57.23 1xm0 n GLU 131 Cb 0.18 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.44 1xm0 n GLU 131 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1xm0 n GLU 132 N -1.39 0.22 0.00 3.49 -0.00 0.13 -4.98 120.64 118.11 1xm0 n GLU 132 Ca 0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 1xm0 n GLU 132 Cb 0.09 -1.51 0.00 0.00 -0.00 0.00 0.00 31.44 30.01 1xm0 n GLU 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xm0 n GLY 133 N 1.42 0.77 0.87 -1.84 0.00 0.27 -4.77 105.19 101.92 1xm0 n GLY 133 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1xm0 n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xm0 n TYR 134 N 0.00 0.00 -0.28 1.61 4.01 -1.17 -4.84 117.16 116.49 1xm0 n TYR 134 Ca 0.00 -0.82 0.08 0.00 -0.16 0.00 0.00 57.90 57.00 1xm0 n TYR 134 Cb 0.00 -0.17 0.31 0.00 -0.31 0.00 0.00 39.34 39.17 1xm0 n TYR 134 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1xm0 h GLU 135 N 0.73 0.82 0.09 -0.72 4.81 -1.84 -1.41 114.58 117.07 1xm0 h GLU 135 Ca -0.09 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 58.83 1xm0 h GLU 135 Cb 1.42 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1xm0 h GLU 135 CO 0.04 0.54 -1.22 1.03 -0.73 0.00 0.00 179.01 178.68 1xm0 h SER 136 N 0.85 0.31 -0.07 1.04 0.87 -1.97 -3.29 113.55 111.29 1xm0 h SER 136 Ca 0.42 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1xm0 h SER 136 Cb 0.46 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1xm0 h SER 136 CO -0.18 1.27 0.03 1.88 -0.53 0.00 0.00 176.83 179.29 1xm0 h TYR 137 N 0.05 0.14 -0.19 2.24 0.05 -1.62 -1.53 116.97 116.11 1xm0 h TYR 137 Ca -0.12 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.72 1xm0 h TYR 137 Cb 1.93 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 39.61 1xm0 h TYR 137 CO 0.05 0.13 0.30 -0.07 -1.05 0.00 0.00 178.16 177.51 1xm0 h LEU 138 N 0.15 0.00 0.06 3.88 4.07 -1.46 0.10 115.31 122.11 1xm0 h LEU 138 Ca 0.04 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.74 1xm0 h LEU 138 Cb 0.06 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.82 1xm0 h LEU 138 CO -0.00 0.00 -1.04 -0.74 -1.08 0.00 0.00 178.44 175.58 1xm0 h HIS 139 N 0.00 0.92 -0.59 1.13 2.76 -1.45 -2.43 115.15 115.50 1xm0 h HIS 139 Ca 0.09 -0.55 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1xm0 h HIS 139 Cb 0.68 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 1xm0 h HIS 139 CO 0.00 1.39 0.38 1.25 -1.30 0.00 0.00 177.93 179.65 1xm0 h LEU 140 N 0.20 0.68 0.00 0.26 6.46 -0.90 -3.37 115.31 118.64 1xm0 h LEU 140 Ca -0.15 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1xm0 h LEU 140 Cb 1.72 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.48 1xm0 h LEU 140 CO 0.20 0.50 0.00 0.33 -0.62 0.00 0.00 178.44 178.85 1xm0 n PHE 141 N -4.44 0.00 -3.30 1.25 7.35 -1.02 -4.92 117.46 112.38 1xm0 n PHE 141 Ca 0.06 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.36 1xm0 n PHE 141 Cb 0.05 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.81 1xm0 n PHE 141 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1xm0 s ASN 142 N -1.00 6.55 -0.30 -2.13 0.01 -0.91 -5.03 114.94 112.13 1xm0 s ASN 142 Ca 0.00 0.66 -0.16 0.00 -0.71 0.00 0.00 52.86 52.64 1xm0 s ASN 142 Cb 0.00 -2.27 0.18 0.00 0.41 0.00 0.00 41.25 39.57 1xm0 s ASN 142 CO 0.00 -0.11 1.13 -1.59 -1.51 0.00 0.00 177.10 175.02 1xm0 s LYS 143 N 1.33 0.19 0.00 -0.60 0.00 -1.26 -4.25 119.74 115.15 1xm0 s LYS 143 Ca 0.23 0.36 0.00 0.00 0.00 0.00 0.00 55.97 56.56 1xm0 s LYS 143 Cb -0.15 0.09 0.00 0.00 0.00 0.00 0.00 37.83 37.77 1xm0 s LYS 143 CO 0.09 -0.05 0.00 1.28 0.00 0.00 0.00 175.35 176.68 1xm0 n LEU 144 N 3.72 -2.14 -4.77 2.77 4.32 -1.26 -4.86 117.00 114.77 1xm0 n LEU 144 Ca -0.15 0.41 -0.39 0.00 -0.02 0.00 0.00 56.01 55.86 1xm0 n LEU 144 Cb 0.56 -0.74 -0.06 0.00 -1.62 0.00 0.00 43.42 41.56 1xm0 n LEU 144 CO 0.02 -1.23 0.39 -0.70 -1.22 0.00 0.00 177.39 174.65 1xm0 s GLU 145 N -0.09 4.41 -0.60 3.23 2.12 -1.26 -4.96 118.70 121.55 1xm0 s GLU 145 Ca 0.00 0.94 -0.26 0.00 0.36 0.00 0.00 54.97 56.01 1xm0 s GLU 145 Cb 0.00 -3.31 -0.10 0.00 0.26 0.00 0.00 34.13 30.98 1xm0 s GLU 145 CO 0.00 0.44 2.44 0.72 -0.54 0.00 0.00 175.26 178.32 1xm0 n HIS 146 N 2.30 1.27 -0.89 5.30 8.25 -1.26 -5.31 115.22 124.89 1xm0 n HIS 146 Ca -0.06 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1xm0 n HIS 146 Cb 0.50 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 29.05 1xm0 n HIS 146 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56