#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 6.57 -3.97 3.17 0.00 -1.26 -4.83 120.51 120.19 1xm0 n ALA 2 Ca 0.00 -3.55 -0.31 0.00 0.00 0.00 0.00 53.44 49.59 1xm0 n ALA 2 Cb 0.00 -2.37 -0.15 0.00 0.00 0.00 0.00 19.45 16.94 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 -1.75 3.42 -0.10 0.00 6.14 -1.26 -5.09 117.35 118.71 1xm0 s TYR 3 Ca 0.56 -2.96 0.04 0.00 0.64 0.00 0.00 57.07 55.35 1xm0 s TYR 3 Cb 0.31 -2.79 -0.00 0.00 0.42 0.00 0.00 41.96 39.89 1xm0 s TYR 3 CO -0.18 -0.88 -0.24 -0.80 0.64 0.00 0.00 175.55 174.09 1xm0 s ASN 4 N 0.57 3.06 0.63 4.32 0.01 -1.26 -4.98 114.94 117.29 1xm0 s ASN 4 Ca 0.13 -0.55 0.32 0.00 -0.71 0.00 0.00 52.86 52.05 1xm0 s ASN 4 Cb -0.21 -1.38 1.78 0.00 0.41 0.00 0.00 41.25 41.85 1xm0 s ASN 4 CO -0.06 0.16 2.06 0.11 -1.51 0.00 0.00 177.10 177.86 1xm0 h LYS 5 N 6.69 0.00 -0.26 -0.60 6.56 -2.00 0.89 116.57 127.86 1xm0 h LYS 5 Ca -0.20 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.38 1xm0 h LYS 5 Cb 1.24 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 1xm0 h LYS 5 CO 0.47 0.00 0.11 0.93 -2.06 0.00 0.00 179.45 178.90 1xm0 h GLU 6 N 0.00 0.39 -0.60 3.15 3.07 -1.96 -0.89 114.58 117.74 1xm0 h GLU 6 Ca 0.05 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1xm0 h GLU 6 Cb 0.54 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 1xm0 h GLU 6 CO -0.00 0.43 0.36 0.93 -1.40 0.00 0.00 179.01 179.33 1xm0 h GLU 7 N 0.28 0.81 -0.05 2.33 4.39 -1.16 2.46 114.58 123.63 1xm0 h GLU 7 Ca 0.09 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 1xm0 h GLU 7 Cb 0.18 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xm0 h GLU 7 CO -0.01 0.58 -0.78 -0.22 -1.16 0.00 0.00 179.01 177.42 1xm0 h LYS 8 N 0.80 0.36 0.00 2.33 3.64 -1.43 -0.10 116.57 122.17 1xm0 h LYS 8 Ca 0.21 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1xm0 h LYS 8 Cb -0.02 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1xm0 h LYS 8 CO -0.04 0.98 -0.91 0.82 -2.27 0.00 0.00 179.45 178.02 1xm0 h ILE 9 N 0.24 0.00 -0.08 2.00 5.03 -0.88 -3.34 117.51 120.48 1xm0 h ILE 9 Ca -0.04 -0.97 -0.02 0.00 -0.12 0.00 0.00 64.86 63.71 1xm0 h ILE 9 Cb 1.36 1.51 -0.01 0.00 -3.03 0.00 0.00 36.82 36.66 1xm0 h ILE 9 CO 0.13 0.00 -0.11 0.29 -0.68 0.00 0.00 178.15 177.78 1xm0 n LYS 10 N -2.68 1.68 -0.05 2.37 5.02 0.83 -4.09 118.16 121.24 1xm0 n LYS 10 Ca 0.00 -2.84 0.02 0.00 -2.02 0.00 0.00 58.31 53.47 1xm0 n LYS 10 Cb 0.54 -1.62 -0.16 0.00 -0.02 0.00 0.00 35.03 33.78 1xm0 n LYS 10 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1xm0 n SER 11 N -1.18 0.29 0.00 4.39 3.41 -0.05 -4.79 113.62 115.68 1xm0 n SER 11 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1xm0 n SER 11 Cb 0.73 1.53 0.00 0.00 -0.26 0.00 0.00 64.21 66.21 1xm0 n SER 11 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xm0 n LEU 12 N -2.42 0.00 -4.41 1.04 4.32 -1.26 -3.29 117.00 110.98 1xm0 n LEU 12 Ca -0.15 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.51 1xm0 n LEU 12 Cb 0.78 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.45 1xm0 n LEU 12 CO 0.42 0.00 -0.46 0.54 -1.22 0.00 0.00 177.39 176.67 1xm0 s ASN 13 N -4.00 3.94 0.63 -1.43 4.22 -1.26 -4.98 114.94 112.06 1xm0 s ASN 13 Ca 0.00 -0.28 0.32 0.00 -2.14 0.00 0.00 52.86 50.76 1xm0 s ASN 13 Cb 0.00 -1.20 1.76 0.00 1.28 0.00 0.00 41.25 43.08 1xm0 s ASN 13 CO 0.00 0.25 2.05 0.08 -2.04 0.00 0.00 177.10 177.44 1xm0 h ARG 14 N 6.03 0.00 0.29 3.55 -0.00 -1.96 0.35 114.38 122.64 1xm0 h ARG 14 Ca -0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.61 1xm0 h ARG 14 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.16 1xm0 h ARG 14 CO 0.52 0.00 -0.14 1.98 -0.00 0.00 0.00 179.97 182.34 1xm0 h MET 15 N 0.00 -0.37 -0.75 0.08 4.05 -1.94 -3.23 114.93 112.77 1xm0 h MET 15 Ca 0.05 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.63 1xm0 h MET 15 Cb 0.57 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 1xm0 h MET 15 CO -0.00 -0.04 0.50 1.96 0.23 0.00 0.00 176.91 179.56 1xm0 h GLN 16 N -0.93 0.49 -0.83 0.39 4.20 -1.21 0.10 115.11 117.31 1xm0 h GLN 16 Ca -0.04 -0.03 0.21 0.00 0.06 0.00 0.00 58.65 58.85 1xm0 h GLN 16 Cb 0.50 -0.11 -0.13 0.00 0.30 0.00 0.00 27.48 28.04 1xm0 h GLN 16 CO 0.07 0.32 0.20 -0.92 -0.67 0.00 0.00 178.83 177.83 1xm0 h TYR 17 N 0.50 0.30 -0.10 2.96 3.20 -1.15 0.86 116.97 123.54 1xm0 h TYR 17 Ca 0.36 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 62.16 1xm0 h TYR 17 Cb 0.72 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1xm0 h TYR 17 CO -0.00 -0.17 -0.49 0.93 -1.64 0.00 0.00 178.16 176.79 1xm0 h GLU 18 N 0.22 0.26 -0.49 1.82 5.08 -1.07 -2.91 114.58 117.50 1xm0 h GLU 18 Ca 0.50 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1xm0 h GLU 18 Cb 0.96 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1xm0 h GLU 18 CO -0.62 0.69 0.24 -0.39 -1.00 0.00 0.00 179.01 177.93 1xm0 h VAL 19 N 0.21 1.17 -0.63 3.13 -1.51 0.10 1.12 116.25 119.84 1xm0 h VAL 19 Ca 0.01 -0.47 -0.09 0.00 -1.23 0.00 0.00 66.70 64.92 1xm0 h VAL 19 Cb 0.94 0.54 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 1xm0 h VAL 19 CO 0.08 0.19 0.03 0.71 -1.23 0.00 0.00 177.57 177.35 1xm0 h THR 20 N 0.69 1.27 -0.66 7.19 1.35 -0.96 0.23 112.91 122.01 1xm0 h THR 20 Ca 0.17 -1.13 -0.28 0.00 -0.55 0.00 0.00 66.41 64.62 1xm0 h THR 20 Cb 0.07 0.75 -0.17 0.00 -1.73 0.00 0.00 68.15 67.08 1xm0 h THR 20 CO -0.02 0.42 0.27 0.00 -0.25 0.00 0.00 175.52 175.93 1xm0 n GLN 21 N -4.19 2.63 0.00 4.72 3.00 -0.00 -4.69 117.38 118.85 1xm0 n GLN 21 Ca 0.03 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.95 1xm0 n GLN 21 Cb 0.34 -2.05 0.00 0.00 0.00 0.00 0.00 30.24 28.52 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 -0.79 0.00 0.00 1.08 5.15 0.37 -4.97 115.26 116.10 1xm0 n ASN 22 Ca 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 1xm0 n ASN 22 Cb 1.33 0.45 0.00 0.00 -0.53 0.00 0.00 39.78 41.03 1xm0 n ASN 22 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xm0 n ASN 23 N -2.49 0.00 0.00 1.20 3.02 -0.60 -4.99 115.26 111.40 1xm0 n ASN 23 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1xm0 n ASN 23 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1xm0 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xm0 n GLY 24 N 0.09 1.21 3.13 7.41 0.00 0.69 -5.00 105.19 112.72 1xm0 n GLY 24 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xm0 n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xm0 s THR 25 N -0.64 1.73 -0.39 2.61 -4.23 -1.26 -4.80 115.64 108.66 1xm0 s THR 25 Ca 0.00 -0.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 1xm0 s THR 25 Cb 0.00 -1.53 0.02 0.00 1.34 0.00 0.00 72.50 72.32 1xm0 s THR 25 CO 0.00 0.49 1.22 -0.70 -0.54 0.00 0.00 174.62 175.08 1xm0 s GLU 26 N 0.68 3.82 -0.33 3.99 2.56 -1.26 -5.00 118.70 123.16 1xm0 s GLU 26 Ca -0.12 0.91 -0.25 0.00 0.00 0.00 0.00 54.97 55.51 1xm0 s GLU 26 Cb -0.16 -3.89 0.01 0.00 2.00 0.00 0.00 34.13 32.09 1xm0 s GLU 26 CO 0.03 -1.25 0.88 -1.25 -0.56 0.00 0.00 175.26 173.11 1xm0 s PRO 27 N 4.30 3.93 0.00 4.30 0.04 -1.26 -5.06 135.00 141.26 1xm0 s PRO 27 Ca 0.52 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1xm0 s PRO 27 Cb -0.12 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1xm0 s PRO 27 CO 0.26 -0.82 0.00 -0.35 0.04 0.00 0.00 177.00 176.14 1xm0 n PRO 28 N 6.52 -0.18 0.00 0.56 -0.04 -1.26 -5.09 135.00 135.51 1xm0 n PRO 28 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1xm0 n PRO 28 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1xm0 n PRO 28 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xm0 n PHE 29 N -1.84 0.00 0.15 0.54 3.72 -1.26 -5.11 117.46 113.66 1xm0 n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1xm0 n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.52 0.00 -3.79 -1.08 -0.06 -1.26 -5.03 117.38 104.64 1xm0 n GLN 30 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.68 1xm0 n GLN 30 Cb 0.00 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.08 1xm0 n GLN 30 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1xm0 s ASN 31 N -2.00 5.30 0.34 1.69 -0.87 -1.26 -4.85 114.94 113.29 1xm0 s ASN 31 Ca 0.00 -3.76 0.27 0.00 -1.57 0.00 0.00 52.86 47.79 1xm0 s ASN 31 Cb 0.00 -1.75 1.05 0.00 -0.02 0.00 0.00 41.25 40.53 1xm0 s ASN 31 CO 0.00 -0.13 1.79 -0.33 -2.57 0.00 0.00 177.10 175.86 1xm0 h GLU 32 N 5.70 0.00 -0.09 -0.60 5.08 -1.96 -1.83 114.58 120.88 1xm0 h GLU 32 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1xm0 h GLU 32 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1xm0 h GLU 32 CO 0.77 0.00 0.00 2.48 -1.00 0.00 0.00 179.01 181.26 1xm0 n TYR 33 N -2.50 0.10 -0.63 4.33 4.11 -1.26 -1.30 117.16 120.01 1xm0 n TYR 33 Ca 0.02 -0.05 -0.11 0.00 -0.00 0.00 0.00 57.90 57.76 1xm0 n TYR 33 Cb 0.28 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.54 1xm0 n TYR 33 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.86 178.73 1xm0 n TRP 34 N 0.36 0.32 0.12 -3.48 -0.00 -0.69 -4.12 117.44 109.95 1xm0 n TRP 34 Ca 0.18 -1.15 -0.00 0.00 -0.00 0.00 0.00 57.50 56.53 1xm0 n TRP 34 Cb 0.37 -1.25 0.03 0.00 -0.00 0.00 0.00 31.31 30.46 1xm0 n TRP 34 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 177.69 178.07 1xm0 h ASP 35 N 4.68 0.00 0.00 5.87 2.03 -1.86 -3.49 116.42 123.65 1xm0 h ASP 35 Ca 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1xm0 h ASP 35 Cb 0.73 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1xm0 h ASP 35 CO 0.59 0.66 0.00 1.41 -1.03 0.00 0.00 179.24 180.87 1xm0 n HIS 36 N -3.34 0.00 0.00 4.15 8.25 -1.26 -5.00 115.22 118.03 1xm0 n HIS 36 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1xm0 n HIS 36 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1xm0 n HIS 36 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xm0 n LYS 37 N 0.00 0.00 0.00 -0.41 4.81 -1.26 -5.19 118.16 116.11 1xm0 n LYS 37 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xm0 n LYS 37 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1xm0 n LYS 37 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1xm0 n GLU 38 N 0.25 0.00 -1.37 1.64 0.28 -1.26 -5.07 120.64 115.12 1xm0 n GLU 38 Ca 0.00 0.00 -0.62 0.00 -0.16 0.00 0.00 57.16 56.38 1xm0 n GLU 38 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 1xm0 n GLU 38 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1xm0 n GLU 39 N -1.88 0.03 0.00 3.44 1.02 -1.26 -4.61 120.64 117.38 1xm0 n GLU 39 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1xm0 n GLU 39 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1xm0 n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xm0 n GLY 40 N 6.69 0.97 3.44 0.62 0.00 -1.26 0.18 105.19 115.83 1xm0 n GLY 40 Ca 0.49 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1xm0 n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xm0 s LEU 41 N 0.00 2.58 0.13 0.99 2.34 -0.57 0.27 118.68 124.42 1xm0 s LEU 41 Ca 0.00 -1.11 -0.20 0.00 0.06 0.00 0.00 54.13 52.88 1xm0 s LEU 41 Cb 0.00 -0.83 -0.07 0.00 -0.56 0.00 0.00 46.19 44.73 1xm0 s LEU 41 CO 0.00 -0.18 0.64 -0.31 -1.06 0.00 0.00 176.35 175.44 1xm0 s TYR 42 N -2.80 3.77 -0.14 3.48 1.51 1.10 -0.90 117.35 123.36 1xm0 s TYR 42 Ca 0.29 1.34 -0.05 0.00 -1.01 0.00 0.00 57.07 57.63 1xm0 s TYR 42 Cb 0.00 -2.56 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 1xm0 s TYR 42 CO 0.12 0.50 0.03 0.08 -1.11 0.00 0.00 175.55 175.18 1xm0 s VAL 43 N -1.25 4.55 0.01 0.71 1.01 0.73 -1.10 120.40 125.06 1xm0 s VAL 43 Ca 0.34 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1xm0 s VAL 43 Cb -0.19 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1xm0 s VAL 43 CO 0.21 0.52 1.22 -0.62 0.00 0.00 0.00 175.10 176.43 1xm0 s ASP 44 N -0.11 7.04 0.00 3.32 -1.08 0.64 -1.73 116.67 124.75 1xm0 s ASP 44 Ca 0.06 1.95 0.00 0.00 -0.52 0.00 0.00 52.55 54.03 1xm0 s ASP 44 Cb -0.12 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1xm0 s ASP 44 CO 0.02 -0.54 0.00 -0.38 0.52 0.00 0.00 175.17 174.78 1xm0 n ILE 45 N 4.28 0.00 -0.00 4.11 5.41 -0.77 -3.61 119.36 128.78 1xm0 n ILE 45 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1xm0 n ILE 45 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 1xm0 n ILE 45 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1xm0 n VAL 46 N -0.04 0.00 -1.79 1.39 3.14 -1.26 -4.61 118.33 115.16 1xm0 n VAL 46 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1xm0 n VAL 46 Cb 0.00 -1.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.58 1xm0 n VAL 46 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1xm0 n SER 47 N 2.72 0.00 0.00 6.55 7.64 -1.24 -2.44 113.62 126.85 1xm0 n SER 47 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xm0 n SER 47 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.30 2.64 3.50 0.23 0.00 -1.26 -5.07 105.19 104.92 1xm0 n GLY 48 Ca 0.00 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 0.91 0.00 1.61 0.00 -1.02 -4.61 118.16 115.05 1xm0 n LYS 49 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 58.31 58.47 1xm0 n LYS 49 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 35.03 32.41 1xm0 n LYS 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1xm0 n PRO 50 N 8.54 1.32 0.00 1.64 -0.04 -1.26 0.23 135.00 145.43 1xm0 n PRO 50 Ca 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1xm0 n PRO 50 Cb 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 1xm0 n PRO 50 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1xm0 n LEU 51 N 0.00 0.00 -3.69 1.53 -0.00 -0.26 -2.73 117.00 111.86 1xm0 n LEU 51 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1xm0 n LEU 51 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1xm0 n LEU 51 CO 0.00 0.00 0.21 0.12 -0.00 0.00 0.00 177.39 177.72 1xm0 s PHE 52 N 0.00 -0.64 0.54 1.47 2.19 -1.08 -4.96 117.98 115.50 1xm0 s PHE 52 Ca 0.00 1.49 0.05 0.00 0.33 0.00 0.00 56.93 58.79 1xm0 s PHE 52 Cb 0.00 0.25 0.03 0.00 -1.31 0.00 0.00 43.02 41.99 1xm0 s PHE 52 CO 0.00 -0.32 0.33 -0.08 1.83 0.00 0.00 175.22 176.99 1xm0 s THR 53 N 0.57 1.58 0.33 0.12 -1.32 -1.26 0.35 115.64 116.01 1xm0 s THR 53 Ca -0.02 -1.58 0.04 0.00 -1.21 0.00 0.00 61.69 58.92 1xm0 s THR 53 Cb -0.05 -2.16 0.30 0.00 -1.51 0.00 0.00 72.50 69.08 1xm0 s THR 53 CO -0.03 0.00 1.89 0.28 -2.21 0.00 0.00 174.62 174.55 1xm0 h SER 54 N 0.86 0.78 0.00 8.08 0.02 0.36 2.11 113.55 125.77 1xm0 h SER 54 Ca -0.38 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1xm0 h SER 54 Cb 1.30 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1xm0 h SER 54 CO 0.60 0.45 0.17 0.29 -1.14 0.00 0.00 176.83 177.20 1xm0 n LYS 55 N -4.54 0.05 0.00 3.45 4.01 -1.26 -2.15 118.16 117.73 1xm0 n LYS 55 Ca 0.15 0.47 0.00 0.00 -0.51 0.00 0.00 58.31 58.43 1xm0 n LYS 55 Cb 0.33 -1.83 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1xm0 n LYS 55 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1xm0 n ASP 56 N -1.72 0.00 0.00 4.39 9.92 0.71 -4.03 116.55 125.82 1xm0 n ASP 56 Ca -0.00 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1xm0 n ASP 56 Cb 0.18 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1xm0 n ASP 56 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1xm0 n LYS 57 N -1.52 0.00 -4.10 -1.24 4.81 -0.91 -4.02 118.16 111.18 1xm0 n LYS 57 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1xm0 n LYS 57 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1xm0 n LYS 57 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1xm0 s PHE 58 N 0.00 0.77 -0.12 5.64 5.36 -1.26 -1.91 117.98 126.46 1xm0 s PHE 58 Ca 0.00 -1.08 0.05 0.00 -0.96 0.00 0.00 56.93 54.93 1xm0 s PHE 58 Cb 0.00 -0.28 0.14 0.00 -0.34 0.00 0.00 43.02 42.54 1xm0 s PHE 58 CO 0.00 -0.70 0.86 -3.47 -1.46 0.00 0.00 175.22 170.45 1xm0 n ASP 59 N -0.24 -0.58 -3.43 6.13 -0.08 -1.26 -5.09 116.55 111.99 1xm0 n ASP 59 Ca -0.02 -1.41 -0.05 0.00 -1.51 0.00 0.00 54.79 51.80 1xm0 n ASP 59 Cb 0.64 0.26 0.01 0.00 2.34 0.00 0.00 41.12 44.37 1xm0 n ASP 59 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1xm0 s SER 60 N -0.46 -0.08 0.00 1.67 0.01 -1.26 -5.16 113.70 108.41 1xm0 s SER 60 Ca 0.03 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1xm0 s SER 60 Cb 0.16 0.61 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1xm0 s SER 60 CO -0.05 -1.18 0.00 1.67 0.41 0.00 0.00 173.24 174.10 1xm0 n GLN 61 N -0.56 0.00 0.00 12.44 7.27 -1.26 -5.04 117.38 130.23 1xm0 n GLN 61 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1xm0 n GLN 61 Cb 0.60 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.25 1xm0 n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xm0 n GLY 63 N -0.81 -1.63 3.84 0.00 0.00 -1.26 -4.93 105.19 100.41 1xm0 n GLY 63 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.13 1.61 0.51 -1.26 -5.06 118.94 118.05 1xm0 s TRP 64 Ca 0.00 0.31 -0.29 0.00 -2.12 0.00 0.00 56.10 54.00 1xm0 s TRP 64 Cb 0.00 -1.81 -0.03 0.00 -0.81 0.00 0.00 33.47 30.82 1xm0 s TRP 64 CO 0.00 0.62 1.51 -1.25 -0.51 0.00 0.00 176.95 177.31 1xm0 s PRO 65 N -1.70 4.12 -0.11 4.98 0.04 -1.26 -4.99 135.00 136.07 1xm0 s PRO 65 Ca 0.23 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 1xm0 s PRO 65 Cb -0.12 -3.92 0.03 0.00 0.04 0.00 0.00 34.50 30.53 1xm0 s PRO 65 CO 0.14 -0.90 0.32 -1.12 0.04 0.00 0.00 177.00 175.49 1xm0 s SER 66 N 3.06 -0.32 -0.06 6.66 0.01 -1.26 -4.50 113.70 117.28 1xm0 s SER 66 Ca 0.66 0.59 0.02 0.00 1.31 0.00 0.00 55.95 58.54 1xm0 s SER 66 Cb -0.27 0.63 0.02 0.00 0.21 0.00 0.00 66.02 66.60 1xm0 s SER 66 CO 0.24 -0.15 -0.09 -0.36 0.41 0.00 0.00 173.24 173.29 1xm0 s PHE 67 N 0.01 1.20 0.00 2.43 0.08 -0.94 -4.85 117.98 115.90 1xm0 s PHE 67 Ca -0.02 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.62 1xm0 s PHE 67 Cb -0.03 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.50 1xm0 s PHE 67 CO 0.01 -0.25 0.00 2.41 -0.10 0.00 0.00 175.22 177.29 1xm0 n THR 68 N 3.90 0.00 0.00 0.64 -1.04 -0.80 -1.84 114.28 115.13 1xm0 n THR 68 Ca -0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1xm0 n THR 68 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1xm0 n THR 68 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1xm0 n LYS 69 N 0.00 0.00 0.00 -2.82 5.02 0.30 -4.24 118.16 116.42 1xm0 n LYS 69 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xm0 n LYS 69 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.00 0.00 1.97 -0.04 -1.26 -2.54 135.00 133.13 1xm0 n PRO 70 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xm0 n PRO 70 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1xm0 n PRO 70 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xm0 n ILE 71 N 0.00 0.00 -3.11 0.52 5.41 -1.26 -4.46 119.36 116.45 1xm0 n ILE 71 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1xm0 n ILE 71 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 1xm0 n ILE 71 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1xm0 s GLU 72 N 0.00 0.81 0.00 0.38 -1.05 -1.26 -4.82 118.70 112.77 1xm0 s GLU 72 Ca 0.00 -0.37 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1xm0 s GLU 72 Cb 0.00 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 1xm0 s GLU 72 CO 0.00 -1.15 0.00 0.39 0.95 0.00 0.00 175.26 175.45 1xm0 n GLU 73 N 4.14 0.00 -0.55 -4.83 1.02 -1.26 -5.02 120.64 114.14 1xm0 n GLU 73 Ca 0.12 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 1xm0 n GLU 73 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.92 1xm0 n GLU 73 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1xm0 n GLU 74 N -0.94 1.25 -3.78 3.49 0.28 -1.26 -4.77 120.64 114.90 1xm0 n GLU 74 Ca 0.00 -0.73 -0.17 0.00 -0.16 0.00 0.00 57.16 56.11 1xm0 n GLU 74 Cb 0.00 -1.92 -0.17 0.00 1.43 0.00 0.00 31.44 30.79 1xm0 n GLU 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1xm0 s VAL 75 N 2.36 -0.01 0.19 3.84 1.01 -1.26 -3.63 120.40 122.91 1xm0 s VAL 75 Ca 0.35 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.61 1xm0 s VAL 75 Cb 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.34 1xm0 s VAL 75 CO -0.01 0.13 0.27 -0.70 0.00 0.00 0.00 175.10 174.79 1xm0 s GLU 76 N 1.33 3.27 0.05 2.72 2.12 0.69 -4.85 118.70 124.03 1xm0 s GLU 76 Ca -0.06 -0.76 -0.08 0.00 0.36 0.00 0.00 54.97 54.43 1xm0 s GLU 76 Cb -0.13 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 1xm0 s GLU 76 CO -0.03 0.47 0.34 -1.83 -0.54 0.00 0.00 175.26 173.68 1xm0 s GLU 77 N -3.52 3.68 0.20 4.30 4.04 -1.26 0.50 118.70 126.64 1xm0 s GLU 77 Ca 0.33 0.06 0.11 0.00 0.04 0.00 0.00 54.97 55.51 1xm0 s GLU 77 Cb -0.10 -3.03 -0.04 0.00 0.02 0.00 0.00 34.13 30.98 1xm0 s GLU 77 CO 0.27 0.59 -0.20 0.15 -1.84 0.00 0.00 175.26 174.23 1xm0 s LYS 78 N -1.88 1.65 -0.21 -4.83 -0.14 0.29 -4.83 119.74 109.79 1xm0 s LYS 78 Ca 0.31 -1.50 -0.17 0.00 -1.36 0.00 0.00 55.97 53.25 1xm0 s LYS 78 Cb -0.14 -1.91 -0.03 0.00 -1.68 0.00 0.00 37.83 34.07 1xm0 s LYS 78 CO 0.18 0.40 0.46 -1.17 -0.76 0.00 0.00 175.35 174.45 1xm0 s LEU 79 N -2.80 4.13 0.27 3.17 2.96 -1.26 -2.95 118.68 122.21 1xm0 s LEU 79 Ca 0.23 0.56 -0.17 0.00 -0.22 0.00 0.00 54.13 54.52 1xm0 s LEU 79 Cb -0.08 -2.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.93 1xm0 s LEU 79 CO 0.12 -0.15 0.73 -0.62 -1.32 0.00 0.00 176.35 175.11 1xm0 s ASP 80 N 1.18 6.92 0.00 3.68 -1.08 -1.26 -4.99 116.67 121.11 1xm0 s ASP 80 Ca 0.21 1.35 0.00 0.00 -0.52 0.00 0.00 52.55 53.59 1xm0 s ASP 80 Cb -0.15 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1xm0 s ASP 80 CO 0.09 -0.09 0.00 1.07 0.52 0.00 0.00 175.17 176.76 1xm0 n THR 81 N 0.16 0.00 0.00 1.71 5.66 -1.26 -4.63 114.28 115.93 1xm0 n THR 81 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1xm0 n THR 81 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1xm0 n THR 81 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1xm0 n SER 82 N 0.00 0.00 0.00 1.09 7.64 -1.26 -4.54 113.62 116.55 1xm0 n SER 82 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xm0 n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xm0 n SER 82 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1xm0 n HIS 83 N 0.00 0.00 0.40 1.43 -0.00 -1.26 -4.98 115.22 110.81 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 -1.08 -5.53 1.57 0.00 -1.98 -3.42 103.07 92.63 1xm0 h GLY 84 Ca 0.00 0.40 -0.66 0.00 0.00 0.00 0.00 47.33 47.07 1xm0 h GLY 84 CO 0.00 -0.39 -0.66 1.06 0.00 0.00 0.00 176.54 176.55 1xm0 s MET 85 N -5.05 3.28 -0.19 4.80 1.00 -1.26 -5.10 119.30 116.79 1xm0 s MET 85 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 55.69 55.04 1xm0 s MET 85 Cb 0.02 -2.81 0.01 0.00 0.00 0.00 0.00 34.83 32.05 1xm0 s MET 85 CO 0.45 0.46 -0.17 0.42 0.00 0.00 0.00 175.02 176.18 1xm0 s ILE 86 N -0.22 2.33 0.18 2.53 -1.09 -1.26 -4.88 121.20 118.79 1xm0 s ILE 86 Ca 0.04 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 57.62 1xm0 s ILE 86 Cb -0.13 -2.00 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 1xm0 s ILE 86 CO 0.02 0.52 0.03 0.00 -1.23 0.00 0.00 174.94 174.28 1xm0 s ARG 87 N 1.30 1.13 -0.47 2.79 1.70 -1.26 -5.09 118.95 119.05 1xm0 s ARG 87 Ca 0.05 -1.56 -0.23 0.00 -0.47 0.00 0.00 55.73 53.52 1xm0 s ARG 87 Cb -0.13 -0.16 0.03 0.00 -0.57 0.00 0.00 34.95 34.12 1xm0 s ARG 87 CO -0.10 -0.19 0.78 -0.08 -1.08 0.00 0.00 175.30 174.62 1xm0 s THR 88 N -3.76 4.65 0.18 4.99 -1.32 -1.26 -4.31 115.64 114.82 1xm0 s THR 88 Ca 0.27 0.31 -0.27 0.00 -1.21 0.00 0.00 61.69 60.79 1xm0 s THR 88 Cb 0.07 -4.34 -0.08 0.00 -1.51 0.00 0.00 72.50 66.64 1xm0 s THR 88 CO 0.06 -0.76 0.85 -1.61 -2.21 0.00 0.00 174.62 170.94 1xm0 s GLU 89 N 3.28 4.68 -0.24 7.08 2.02 -1.15 -2.44 118.70 131.92 1xm0 s GLU 89 Ca 0.28 1.29 -0.07 0.00 0.02 0.00 0.00 54.97 56.49 1xm0 s GLU 89 Cb -0.13 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 1xm0 s GLU 89 CO 0.21 0.52 0.07 0.14 0.02 0.00 0.00 175.26 176.22 1xm0 s VAL 90 N -1.03 4.40 -0.04 2.63 -7.23 0.57 0.10 120.40 119.80 1xm0 s VAL 90 Ca 0.38 -0.15 0.01 0.00 -1.81 0.00 0.00 61.98 60.42 1xm0 s VAL 90 Cb -0.24 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 1xm0 s VAL 90 CO 0.28 0.35 -0.04 -0.13 -0.31 0.00 0.00 175.10 175.26 1xm0 s ARG 91 N 1.44 2.75 0.31 4.82 0.52 0.18 -0.44 118.95 128.53 1xm0 s ARG 91 Ca 0.06 -0.58 0.07 0.00 -0.52 0.00 0.00 55.73 54.76 1xm0 s ARG 91 Cb -0.15 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 1xm0 s ARG 91 CO 0.04 0.65 0.25 0.45 0.02 0.00 0.00 175.30 176.70 1xm0 s SER 92 N -1.15 5.28 -1.22 0.23 0.15 -0.17 0.25 113.70 117.07 1xm0 s SER 92 Ca 0.15 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1xm0 s SER 92 Cb -0.11 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1xm0 s SER 92 CO 0.05 -0.26 0.00 0.54 1.20 0.00 0.00 173.24 174.77 1xm0 n ARG 93 N -1.29 -1.28 -0.59 5.44 5.12 -1.24 0.18 116.66 123.00 1xm0 n ARG 93 Ca -0.04 0.69 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1xm0 n ARG 93 Cb 0.59 -4.89 0.00 0.00 -1.16 0.00 0.00 32.46 27.00 1xm0 n ARG 93 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1xm0 n THR 94 N -1.76 0.00 0.00 0.55 -1.04 -1.26 -4.85 114.28 105.92 1xm0 n THR 94 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1xm0 n THR 94 Cb 0.39 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 1xm0 n THR 94 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xm0 n ALA 95 N -0.24 0.00 -2.74 2.41 0.00 0.47 -4.97 120.51 115.45 1xm0 n ALA 95 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1xm0 n ALA 95 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1xm0 n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xm0 n ASP 96 N 0.00 -3.75 -2.19 0.00 2.03 -1.25 -1.00 116.55 110.39 1xm0 n ASP 96 Ca 0.00 -0.17 -0.04 0.00 0.52 0.00 0.00 54.79 55.10 1xm0 n ASP 96 Cb 0.00 -2.53 0.00 0.00 -0.72 0.00 0.00 41.12 37.87 1xm0 n ASP 96 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xm0 n SER 97 N -0.31 -5.08 -3.31 1.67 2.88 -1.26 -4.79 113.62 103.43 1xm0 n SER 97 Ca -0.03 0.31 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 1xm0 n SER 97 Cb 0.55 -3.27 -0.06 0.00 -0.75 0.00 0.00 64.21 60.68 1xm0 n SER 97 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1xm0 s HIS 98 N -1.77 -0.98 -0.22 0.66 3.76 -1.26 -4.45 115.29 111.04 1xm0 s HIS 98 Ca 0.12 0.34 0.08 0.00 -0.15 0.00 0.00 55.06 55.44 1xm0 s HIS 98 Cb -0.03 -0.16 0.16 0.00 1.11 0.00 0.00 32.58 33.66 1xm0 s HIS 98 CO 0.40 -0.97 1.12 1.28 -0.85 0.00 0.00 174.74 175.71 1xm0 n LEU 99 N 5.35 2.41 -1.92 0.89 7.99 0.41 -0.67 117.00 131.46 1xm0 n LEU 99 Ca 0.00 -2.32 -0.18 0.00 -0.01 0.00 0.00 56.01 53.50 1xm0 n LEU 99 Cb 0.49 -0.18 0.02 0.00 -0.11 0.00 0.00 43.42 43.64 1xm0 n LEU 99 CO -0.01 0.60 -0.80 0.61 -1.51 0.00 0.00 177.39 176.27 1xm0 n GLY 100 N -0.52 -1.91 3.38 -0.72 0.00 -0.63 -2.77 105.19 102.02 1xm0 n GLY 100 Ca 0.07 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.96 2.92 -0.02 1.61 2.46 -1.04 0.21 115.29 120.47 1xm0 s HIS 101 Ca 0.18 -0.66 0.07 0.00 0.47 0.00 0.00 55.06 55.12 1xm0 s HIS 101 Cb -0.03 -1.96 -0.02 0.00 -0.13 0.00 0.00 32.58 30.44 1xm0 s HIS 101 CO 0.36 -0.28 -0.22 0.54 -2.47 0.00 0.00 174.74 172.67 1xm0 s VAL 102 N 0.74 2.42 -0.18 0.89 0.11 -1.02 0.15 120.40 123.51 1xm0 s VAL 102 Ca -0.03 -1.03 0.01 0.00 -2.93 0.00 0.00 61.98 57.99 1xm0 s VAL 102 Cb -0.15 -1.90 0.02 0.00 -1.53 0.00 0.00 36.38 32.82 1xm0 s VAL 102 CO 0.02 0.54 -0.19 0.12 -3.33 0.00 0.00 175.10 172.26 1xm0 s PHE 103 N -0.69 2.78 0.26 1.54 2.19 0.38 -4.66 117.98 119.78 1xm0 s PHE 103 Ca 0.11 -1.52 -0.08 0.00 0.33 0.00 0.00 56.93 55.77 1xm0 s PHE 103 Cb -0.10 -1.92 -0.06 0.00 -1.31 0.00 0.00 43.02 39.63 1xm0 s PHE 103 CO 0.00 -0.75 0.56 -0.80 1.83 0.00 0.00 175.22 176.07 1xm0 s ASN 104 N 1.22 6.55 -1.52 6.13 0.02 -1.26 -2.46 114.94 123.61 1xm0 s ASN 104 Ca 0.03 0.85 -0.03 0.00 -1.02 0.00 0.00 52.86 52.68 1xm0 s ASN 104 Cb -0.14 -2.20 0.01 0.00 0.02 0.00 0.00 41.25 38.95 1xm0 s ASN 104 CO -0.10 -0.14 0.32 0.47 0.02 0.00 0.00 177.10 177.67 1xm0 n ASP 105 N -0.51 -5.45 -4.96 -1.22 8.00 -1.21 -4.98 116.55 106.23 1xm0 n ASP 105 Ca -0.00 -0.15 -0.23 0.00 0.71 0.00 0.00 54.79 55.12 1xm0 n ASP 105 Cb 0.53 -4.48 0.03 0.00 -0.02 0.00 0.00 41.12 37.19 1xm0 n ASP 105 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xm0 s GLY 106 N -2.41 1.73 0.06 0.44 0.00 -1.23 -5.02 107.32 100.88 1xm0 s GLY 106 Ca 0.18 -1.16 -0.31 0.00 0.00 0.00 0.00 44.72 43.43 1xm0 s GLY 106 CO 0.22 -0.89 1.74 2.56 0.00 0.00 0.00 173.10 176.73 1xm0 s PRO 107 N -4.79 4.17 0.00 2.90 0.04 -1.26 -4.34 135.00 131.73 1xm0 s PRO 107 Ca 0.55 2.41 0.00 0.00 0.04 0.00 0.00 61.00 64.00 1xm0 s PRO 107 Cb -0.10 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1xm0 s PRO 107 CO 0.40 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1xm0 n GLY 108 N 4.14 -0.80 0.14 0.56 0.00 -1.26 -4.84 105.19 103.13 1xm0 n GLY 108 Ca 0.17 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 45.05 1xm0 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xm0 h PRO 109 N 0.00 0.00 0.00 1.61 0.13 -1.91 -3.36 132.00 128.47 1xm0 h PRO 109 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1xm0 h PRO 109 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1xm0 h PRO 109 CO 0.00 0.59 -1.22 -1.71 -0.23 0.00 0.00 178.00 175.43 1xm0 n ASN 110 N -3.46 3.98 0.00 1.44 5.15 -1.10 -5.04 115.26 116.24 1xm0 n ASN 110 Ca 0.00 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1xm0 n ASN 110 Cb 0.68 0.27 0.00 0.00 -0.53 0.00 0.00 39.78 40.20 1xm0 n ASN 110 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xm0 n GLY 111 N 3.05 1.69 3.27 8.20 0.00 -1.07 -4.99 105.19 115.35 1xm0 n GLY 111 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1xm0 n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xm0 s LEU 112 N 0.00 2.69 -0.22 0.99 0.20 -1.05 -3.33 118.68 117.96 1xm0 s LEU 112 Ca 0.00 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.38 1xm0 s LEU 112 Cb 0.00 -1.66 0.06 0.00 -0.43 0.00 0.00 46.19 44.15 1xm0 s LEU 112 CO 0.00 0.00 -0.05 -0.13 -0.29 0.00 0.00 176.35 175.89 1xm0 s ARG 113 N 1.32 1.52 -0.26 1.98 0.52 -1.03 0.11 118.95 123.12 1xm0 s ARG 113 Ca 0.04 -0.87 -0.02 0.00 -0.52 0.00 0.00 55.73 54.36 1xm0 s ARG 113 Cb -0.14 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 32.89 1xm0 s ARG 113 CO -0.05 -0.58 -0.05 0.71 0.02 0.00 0.00 175.30 175.36 1xm0 s TYR 114 N 1.47 3.10 -0.37 -0.53 2.02 -0.77 0.14 117.35 122.42 1xm0 s TYR 114 Ca -0.04 -1.58 -0.20 0.00 -0.37 0.00 0.00 57.07 54.88 1xm0 s TYR 114 Cb -0.18 -2.07 0.01 0.00 -0.40 0.00 0.00 41.96 39.31 1xm0 s TYR 114 CO -0.07 -0.73 0.63 0.00 -1.57 0.00 0.00 175.55 173.81 1xm0 s ILE 116 N 2.71 2.90 -0.15 0.00 1.10 -1.26 -2.50 121.20 124.01 1xm0 s ILE 116 Ca 0.24 -1.77 -0.08 0.00 -0.51 0.00 0.00 60.65 58.52 1xm0 s ILE 116 Cb -0.14 -2.42 -0.04 0.00 0.15 0.00 0.00 42.46 40.00 1xm0 s ILE 116 CO 0.15 -0.10 0.14 0.20 -2.11 0.00 0.00 174.94 173.22 1xm0 s ASN 117 N -2.74 6.33 0.50 4.50 0.01 -1.26 -4.48 114.94 117.79 1xm0 s ASN 117 Ca 0.23 0.38 0.22 0.00 -0.71 0.00 0.00 52.86 52.99 1xm0 s ASN 117 Cb -0.09 -2.08 1.32 0.00 0.41 0.00 0.00 41.25 40.81 1xm0 s ASN 117 CO 0.13 0.33 2.07 0.28 -1.51 0.00 0.00 177.10 178.39 1xm0 h SER 118 N 5.60 0.00 1.06 -1.22 0.02 -1.48 0.15 113.55 117.67 1xm0 h SER 118 Ca -0.50 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.40 1xm0 h SER 118 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1xm0 h SER 118 CO 0.65 0.13 -0.23 0.00 -1.14 0.00 0.00 176.83 176.23 1xm0 h ALA 119 N 1.87 0.98 -0.14 3.77 0.00 -1.94 -2.60 119.26 121.20 1xm0 h ALA 119 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1xm0 h ALA 119 Cb 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xm0 h ALA 119 CO 0.02 0.29 -0.06 0.00 0.00 0.00 0.00 179.25 179.49 1xm0 n ALA 120 N -2.21 2.95 -2.51 0.00 0.00 -0.46 -4.77 120.51 113.51 1xm0 n ALA 120 Ca 0.01 -2.67 -0.08 0.00 0.00 0.00 0.00 53.44 50.70 1xm0 n ALA 120 Cb 0.46 -0.54 -0.09 0.00 0.00 0.00 0.00 19.45 19.28 1xm0 n ALA 120 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xm0 s LEU 121 N -2.95 1.95 -0.11 0.00 2.96 0.39 -1.85 118.68 119.07 1xm0 s LEU 121 Ca 0.38 -0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1xm0 s LEU 121 Cb 0.33 0.55 0.04 0.00 0.50 0.00 0.00 46.19 47.60 1xm0 s LEU 121 CO 0.03 -0.57 0.00 -0.13 -1.32 0.00 0.00 176.35 174.37 1xm0 s ARG 122 N -3.22 0.70 -0.03 1.98 1.81 -0.71 -4.70 118.95 114.79 1xm0 s ARG 122 Ca 0.00 -0.07 -0.13 0.00 -1.72 0.00 0.00 55.73 53.81 1xm0 s ARG 122 Cb 0.03 -1.34 -0.05 0.00 -0.45 0.00 0.00 34.95 33.13 1xm0 s ARG 122 CO -0.07 -0.39 0.35 -0.59 -0.68 0.00 0.00 175.30 173.91 1xm0 s PHE 123 N 1.92 3.70 -0.01 -0.53 -0.71 -1.26 0.26 117.98 121.35 1xm0 s PHE 123 Ca 0.03 0.89 0.00 0.00 -1.04 0.00 0.00 56.93 56.81 1xm0 s PHE 123 Cb -0.14 -2.21 0.01 0.00 -1.21 0.00 0.00 43.02 39.48 1xm0 s PHE 123 CO -0.06 0.67 0.00 0.54 -1.34 0.00 0.00 175.22 175.03 1xm0 s VAL 124 N -1.07 0.06 0.34 -2.49 0.11 -0.08 -4.96 120.40 112.31 1xm0 s VAL 124 Ca 0.22 0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 59.03 1xm0 s VAL 124 Cb -0.16 -0.10 -0.09 0.00 -1.53 0.00 0.00 36.38 34.50 1xm0 s VAL 124 CO 0.11 0.05 1.19 -2.16 -3.33 0.00 0.00 175.10 170.96 1xm0 s PRO 125 N 0.37 4.32 0.57 1.54 0.04 -1.26 -1.52 135.00 139.07 1xm0 s PRO 125 Ca -0.03 1.94 0.36 0.00 0.04 0.00 0.00 61.00 63.31 1xm0 s PRO 125 Cb -0.05 -2.95 1.97 0.00 0.04 0.00 0.00 34.50 33.51 1xm0 s PRO 125 CO -0.01 -0.12 2.11 1.57 0.04 0.00 0.00 177.00 180.59 1xm0 h LYS 126 N 3.21 0.00 0.00 4.56 5.09 0.16 2.24 116.57 131.83 1xm0 h LYS 126 Ca -0.48 0.00 -0.20 0.00 0.09 0.00 0.00 60.65 60.06 1xm0 h LYS 126 Cb 1.22 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.52 1xm0 h LYS 126 CO 0.65 0.00 -1.49 1.58 -2.09 0.00 0.00 179.45 178.10 1xm0 n HIS 127 N -2.82 0.98 0.12 0.07 -0.00 -1.26 -4.21 115.22 108.10 1xm0 n HIS 127 Ca -0.02 0.33 0.07 0.00 0.46 0.00 0.00 57.72 58.56 1xm0 n HIS 127 Cb 0.11 -1.11 -0.10 0.00 -0.12 0.00 0.00 29.99 28.77 1xm0 n HIS 127 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1xm0 n LYS 128 N -2.92 0.84 0.23 1.57 4.81 -0.61 -4.41 118.16 117.68 1xm0 n LYS 128 Ca -0.11 -0.10 0.15 0.00 -0.87 0.00 0.00 58.31 57.38 1xm0 n LYS 128 Cb 0.89 -1.29 0.82 0.00 0.02 0.00 0.00 35.03 35.47 1xm0 n LYS 128 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 1xm0 h LEU 129 N 0.00 0.00 -0.82 3.14 8.10 0.35 0.72 115.31 126.80 1xm0 h LEU 129 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.07 1xm0 h LEU 129 Cb 0.57 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.72 1xm0 h LEU 129 CO 0.00 0.00 0.49 0.11 -4.11 0.00 0.00 178.44 174.93 1xm0 h LYS 130 N 0.00 0.83 0.00 0.17 1.57 -1.78 0.41 116.57 117.77 1xm0 h LYS 130 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xm0 h LYS 130 Cb 0.28 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1xm0 h LYS 130 CO -0.00 0.55 0.00 0.39 -0.57 0.00 0.00 179.45 179.82 1xm0 n GLU 131 N -4.70 0.08 -0.00 3.15 1.02 0.25 -1.71 120.64 118.73 1xm0 n GLU 131 Ca 0.13 0.24 0.06 0.00 -0.02 0.00 0.00 57.16 57.56 1xm0 n GLU 131 Cb 0.23 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.06 1xm0 n GLU 131 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xm0 n GLU 132 N -1.40 2.02 0.00 3.49 1.02 0.12 -5.01 120.64 120.89 1xm0 n GLU 132 Ca 0.04 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1xm0 n GLU 132 Cb 0.12 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1xm0 n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xm0 n GLY 133 N 1.44 0.73 1.05 0.62 0.00 -0.10 -5.04 105.19 103.89 1xm0 n GLY 133 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.27 1.61 4.02 -0.85 -4.86 117.16 116.81 1xm0 n TYR 134 Ca 0.00 -0.55 0.08 0.00 -0.01 0.00 0.00 57.90 57.42 1xm0 n TYR 134 Cb 0.00 -0.14 0.33 0.00 -0.02 0.00 0.00 39.34 39.51 1xm0 n TYR 134 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1xm0 h GLU 135 N 0.70 0.79 0.00 -0.72 4.57 -1.79 0.17 114.58 118.31 1xm0 h GLU 135 Ca -0.13 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 57.91 1xm0 h GLU 135 Cb 1.60 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 30.00 1xm0 h GLU 135 CO 0.06 0.52 -0.45 0.66 -1.18 0.00 0.00 179.01 178.62 1xm0 h SER 136 N 0.81 0.00 0.24 1.04 4.64 -1.97 -2.90 113.55 115.41 1xm0 h SER 136 Ca 0.41 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.65 1xm0 h SER 136 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1xm0 h SER 136 CO -0.18 0.45 -0.33 1.88 -0.87 0.00 0.00 176.83 177.78 1xm0 h TYR 137 N 0.00 0.17 -0.18 4.77 -1.99 -1.03 -2.32 116.97 116.39 1xm0 h TYR 137 Ca -0.00 -0.04 0.05 0.00 2.00 0.00 0.00 58.73 60.74 1xm0 h TYR 137 Cb 0.89 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 1xm0 h TYR 137 CO 0.00 0.47 0.27 -0.07 -0.00 0.00 0.00 178.16 178.83 1xm0 h LEU 138 N 0.13 0.00 -0.41 3.88 4.07 -1.25 0.35 115.31 122.09 1xm0 h LEU 138 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1xm0 h LEU 138 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 1xm0 h LEU 138 CO 0.05 0.00 0.00 -0.74 -1.08 0.00 0.00 178.44 176.67 1xm0 h HIS 139 N 0.00 0.00 -0.23 1.13 2.76 -1.57 -3.29 115.15 113.94 1xm0 h HIS 139 Ca 0.09 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1xm0 h HIS 139 Cb 0.62 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1xm0 h HIS 139 CO 0.00 0.00 0.57 1.25 -1.30 0.00 0.00 177.93 178.45 1xm0 h LEU 140 N 0.00 0.00 -7.13 0.26 5.85 -0.42 -3.25 115.31 110.62 1xm0 h LEU 140 Ca 0.00 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.12 1xm0 h LEU 140 Cb 0.85 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.48 1xm0 h LEU 140 CO 0.00 0.00 -0.74 0.12 -0.34 0.00 0.00 178.44 177.48 1xm0 s PHE 141 N -4.26 2.06 0.30 1.25 5.36 -1.24 -5.08 117.98 116.37 1xm0 s PHE 141 Ca -0.03 -2.21 0.03 0.00 -0.96 0.00 0.00 56.93 53.76 1xm0 s PHE 141 Cb 0.10 -1.93 -0.06 0.00 -0.34 0.00 0.00 43.02 40.78 1xm0 s PHE 141 CO 0.33 -0.84 0.06 0.54 -1.46 0.00 0.00 175.22 173.85 1xm0 s ASN 142 N 0.92 2.09 0.22 6.13 2.20 -1.23 -5.06 114.94 120.22 1xm0 s ASN 142 Ca 0.14 -1.36 0.01 0.00 -0.94 0.00 0.00 52.86 50.71 1xm0 s ASN 142 Cb -0.21 -0.03 -0.05 0.00 -2.00 0.00 0.00 41.25 38.96 1xm0 s ASN 142 CO -0.11 -0.62 0.06 -0.54 -2.94 0.00 0.00 177.10 172.95 1xm0 s LYS 143 N -3.91 1.27 0.00 3.55 1.02 -1.26 -5.02 119.74 115.39 1xm0 s LYS 143 Ca 0.36 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1xm0 s LYS 143 Cb 0.08 -0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.15 1xm0 s LYS 143 CO 0.14 -0.23 0.55 1.28 -0.92 0.00 0.00 175.35 176.18 1xm0 n LEU 144 N -0.36 0.00 0.11 3.17 4.32 -1.26 -3.98 117.00 119.00 1xm0 n LEU 144 Ca -0.03 0.55 -0.17 0.00 -0.02 0.00 0.00 56.01 56.34 1xm0 n LEU 144 Cb 0.65 -0.05 -0.14 0.00 -1.62 0.00 0.00 43.42 42.25 1xm0 n LEU 144 CO 0.36 -0.05 -0.10 1.05 -1.22 0.00 0.00 177.39 177.42 1xm0 h GLU 145 N 0.00 0.30 0.00 3.23 9.09 -2.08 -3.49 114.58 121.63 1xm0 h GLU 145 Ca 0.00 -0.52 0.00 0.00 0.05 0.00 0.00 59.36 58.89 1xm0 h GLU 145 Cb 0.00 0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1xm0 h GLU 145 CO 0.00 1.24 0.00 -2.39 0.05 0.00 0.00 179.01 177.91 1xm0 n HIS 146 N -3.55 0.00 -0.10 2.06 1.44 -1.26 -5.27 115.22 108.55 1xm0 n HIS 146 Ca -0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 1xm0 n HIS 146 Cb 1.04 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.15 1xm0 n HIS 146 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11