#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn6 n GLU 2 N 0.00 -3.41 -4.26 0.03 4.07 -1.26 -5.07 120.64 110.75 1xn6 n GLU 2 Ca 0.00 2.70 -0.26 0.00 -0.06 0.00 0.00 57.16 59.54 1xn6 n GLU 2 Cb 0.00 -4.13 -0.08 0.00 -0.06 0.00 0.00 31.44 27.17 1xn6 n GLU 2 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 1xn6 s GLN 3 N -0.82 2.17 0.35 5.31 -2.07 -1.26 -5.16 119.66 118.19 1xn6 s GLN 3 Ca -0.19 -1.93 0.05 0.00 -1.82 0.00 0.00 55.36 51.46 1xn6 s GLN 3 Cb 0.01 -1.89 -0.07 0.00 -1.09 0.00 0.00 33.01 29.97 1xn6 s GLN 3 CO 0.61 -0.13 0.04 -1.14 -1.32 0.00 0.00 175.29 173.35 1xn6 s GLN 4 N -3.87 1.76 0.21 9.60 0.74 -1.26 -5.17 119.66 121.67 1xn6 s GLN 4 Ca 0.38 -1.98 -0.08 0.00 0.05 0.00 0.00 55.36 53.73 1xn6 s GLN 4 Cb 0.05 -1.13 -0.02 0.00 1.10 0.00 0.00 33.01 33.01 1xn6 s GLN 4 CO 0.21 -0.14 0.32 -0.80 -0.55 0.00 0.00 175.29 174.33 1xn6 s ASN 5 N -3.56 0.02 0.26 6.67 0.01 -1.26 -5.13 114.94 111.95 1xn6 s ASN 5 Ca 0.36 -1.06 0.00 0.00 -0.71 0.00 0.00 52.86 51.45 1xn6 s ASN 5 Cb 0.09 0.49 0.00 0.00 0.41 0.00 0.00 41.25 42.24 1xn6 s ASN 5 CO 0.16 -0.99 0.00 0.35 -1.51 0.00 0.00 177.10 175.12 1xn6 n THR 6 N -0.31 0.00 -2.41 1.60 -2.24 -1.26 -4.63 114.28 105.04 1xn6 n THR 6 Ca -0.02 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 1xn6 n THR 6 Cb 0.63 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 1xn6 n THR 6 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xn6 s LEU 7 N 0.00 3.84 0.77 3.22 1.43 -1.24 -4.94 118.68 121.76 1xn6 s LEU 7 Ca 0.00 2.07 -0.12 0.00 -1.03 0.00 0.00 54.13 55.05 1xn6 s LEU 7 Cb 0.00 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.76 1xn6 s LEU 7 CO 0.00 -0.95 1.13 0.20 0.23 0.00 0.00 176.35 176.96 1xn6 s ASN 8 N -1.82 4.84 -0.24 2.29 -0.87 -1.26 -5.02 114.94 112.87 1xn6 s ASN 8 Ca 0.69 1.04 -0.10 0.00 -1.57 0.00 0.00 52.86 52.92 1xn6 s ASN 8 Cb -0.21 -1.72 -0.05 0.00 -0.02 0.00 0.00 41.25 39.25 1xn6 s ASN 8 CO 0.24 -1.72 0.15 -1.81 -2.57 0.00 0.00 177.10 171.40 1xn6 s ASP 9 N -4.32 6.03 -0.92 -1.22 1.11 -1.26 -4.94 116.67 111.15 1xn6 s ASP 9 Ca 0.60 0.09 -0.26 0.00 0.18 0.00 0.00 52.55 53.16 1xn6 s ASP 9 Cb -0.12 -2.09 -0.18 0.00 1.07 0.00 0.00 42.92 41.61 1xn6 s ASP 9 CO 0.51 0.06 2.28 -0.63 1.18 0.00 0.00 175.17 178.58 1xn6 s ILE 10 N 1.07 3.02 -0.06 0.77 1.01 -1.22 -4.85 121.20 120.94 1xn6 s ILE 10 Ca 0.07 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.51 1xn6 s ILE 10 Cb -0.14 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1xn6 s ILE 10 CO 0.04 -0.03 0.53 -0.75 0.00 0.00 0.00 174.94 174.73 1xn6 s LYS 11 N 8.72 4.29 -0.55 2.79 2.20 -1.23 -3.04 119.74 132.92 1xn6 s LYS 11 Ca 0.88 0.58 0.04 0.00 -0.36 0.00 0.00 55.97 57.11 1xn6 s LYS 11 Cb -0.09 -3.38 0.16 0.00 -1.51 0.00 0.00 37.83 33.01 1xn6 s LYS 11 CO 0.12 0.29 0.38 -0.65 -0.36 0.00 0.00 175.35 175.13 1xn6 s GLN 12 N 0.14 1.69 -0.23 4.03 -0.21 -0.13 -4.90 119.66 120.06 1xn6 s GLN 12 Ca 0.28 -2.63 -0.28 0.00 0.02 0.00 0.00 55.36 52.75 1xn6 s GLN 12 Cb -0.17 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.31 1xn6 s GLN 12 CO 0.14 -1.29 0.99 0.99 -2.12 0.00 0.00 175.29 174.00 1xn6 s THR 13 N -0.54 4.72 0.05 -0.19 2.01 -1.25 -2.51 115.64 117.93 1xn6 s THR 13 Ca 0.26 1.92 -0.15 0.00 0.31 0.00 0.00 61.69 64.02 1xn6 s THR 13 Cb -0.07 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.20 1xn6 s THR 13 CO -0.13 -0.15 0.34 -0.51 -0.69 0.00 0.00 174.62 173.48 1xn6 s ILE 14 N 3.08 0.08 -0.08 1.82 2.07 0.98 -4.99 121.20 124.17 1xn6 s ILE 14 Ca 0.42 -0.62 0.03 0.00 -1.41 0.00 0.00 60.65 59.07 1xn6 s ILE 14 Cb -0.15 -0.97 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 1xn6 s ILE 14 CO 0.07 -0.34 -0.16 -0.69 -1.91 0.00 0.00 174.94 171.90 1xn6 s VAL 15 N -2.63 2.84 0.25 4.00 1.01 -1.26 0.12 120.40 124.73 1xn6 s VAL 15 Ca -0.04 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.26 1xn6 s VAL 15 Cb -0.01 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1xn6 s VAL 15 CO -0.04 0.57 -0.18 -0.36 0.00 0.00 0.00 175.10 175.09 1xn6 s PHE 16 N -0.26 2.08 -1.31 5.22 0.08 -0.95 -4.99 117.98 117.85 1xn6 s PHE 16 Ca 0.01 -0.42 -0.14 0.00 0.12 0.00 0.00 56.93 56.50 1xn6 s PHE 16 Cb -0.13 -0.93 0.11 0.00 -0.57 0.00 0.00 43.02 41.51 1xn6 s PHE 16 CO 0.03 0.58 1.83 -1.71 -0.10 0.00 0.00 175.22 175.85 1xn6 n ASN 17 N -0.54 4.78 -1.97 1.36 2.85 -1.26 -2.64 115.26 117.84 1xn6 n ASN 17 Ca -0.06 -2.97 -0.04 0.00 -0.11 0.00 0.00 54.58 51.40 1xn6 n ASN 17 Cb 0.60 -1.61 0.02 0.00 1.24 0.00 0.00 39.78 40.03 1xn6 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xn6 n ALA 18 N 5.90 -0.99 -2.55 5.20 0.00 0.48 -4.79 120.51 123.76 1xn6 n ALA 18 Ca 0.44 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1xn6 n ALA 18 Cb 0.41 0.52 -0.10 0.00 0.00 0.00 0.00 19.45 20.27 1xn6 n ALA 18 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xn6 s SER 19 N -2.12 4.23 0.50 0.00 0.01 -1.26 0.60 113.70 115.66 1xn6 s SER 19 Ca 0.09 -0.46 0.34 0.00 1.31 0.00 0.00 55.95 57.23 1xn6 s SER 19 Cb -0.03 -0.74 1.47 0.00 0.21 0.00 0.00 66.02 66.93 1xn6 s SER 19 CO 0.06 0.17 1.74 -0.29 0.41 0.00 0.00 173.24 175.33 1xn6 h ILE 20 N 3.29 0.33 -0.06 1.44 2.10 -1.84 0.80 117.51 123.57 1xn6 h ILE 20 Ca -0.49 -0.03 -0.02 0.00 1.08 0.00 0.00 64.86 65.40 1xn6 h ILE 20 Cb 1.17 0.22 -0.00 0.00 -1.09 0.00 0.00 36.82 37.12 1xn6 h ILE 20 CO 0.50 0.02 -0.04 1.56 -1.08 0.00 0.00 178.15 179.11 1xn6 h GLN 21 N 0.10 0.13 0.30 2.19 7.50 -1.94 0.77 115.11 124.16 1xn6 h GLN 21 Ca 0.66 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.74 1xn6 h GLN 21 Cb 2.37 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.91 1xn6 h GLN 21 CO -0.13 0.53 -0.15 -0.22 -1.50 0.00 0.00 178.83 177.37 1xn6 h LYS 22 N -0.27 -0.39 -0.81 1.46 3.11 -0.08 0.49 116.57 120.09 1xn6 h LYS 22 Ca 0.01 0.03 0.15 0.00 -2.81 0.00 0.00 60.65 58.03 1xn6 h LYS 22 Cb 0.50 0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 31.76 1xn6 h LYS 22 CO 0.01 -0.10 0.53 0.28 -2.81 0.00 0.00 179.45 177.36 1xn6 h VAL 23 N -0.68 0.79 -0.01 2.00 2.07 -0.03 0.11 116.25 120.50 1xn6 h VAL 23 Ca -0.04 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1xn6 h VAL 23 Cb 0.47 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1xn6 h VAL 23 CO 0.07 0.09 -0.00 -0.25 0.02 0.00 0.00 177.57 177.50 1xn6 h TRP 24 N 0.49 0.03 -0.55 1.57 2.91 -0.52 -2.47 115.95 117.40 1xn6 h TRP 24 Ca 0.40 -0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.54 1xn6 h TRP 24 Cb 0.85 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 29.46 1xn6 h TRP 24 CO -0.00 0.34 0.38 1.03 -1.03 0.00 0.00 178.44 179.16 1xn6 h SER 25 N -0.29 0.19 0.62 2.65 0.87 0.14 1.24 113.55 118.96 1xn6 h SER 25 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1xn6 h SER 25 Cb 0.33 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1xn6 h SER 25 CO 0.00 0.11 0.00 0.52 -0.53 0.00 0.00 176.83 176.93 1xn6 n VAL 26 N -4.44 0.44 -2.71 2.23 0.31 0.14 -2.96 118.33 111.34 1xn6 n VAL 26 Ca 0.10 0.11 -0.05 0.00 -0.01 0.00 0.00 64.34 64.48 1xn6 n VAL 26 Cb 0.48 -0.74 0.04 0.00 -0.91 0.00 0.00 33.84 32.71 1xn6 n VAL 26 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xn6 n VAL 27 N -1.42 1.33 -2.61 2.52 0.24 0.41 -4.20 118.33 114.60 1xn6 n VAL 27 Ca 0.07 -3.13 -0.01 0.00 -2.04 0.00 0.00 64.34 59.22 1xn6 n VAL 27 Cb 0.22 0.84 0.09 0.00 -1.47 0.00 0.00 33.84 33.52 1xn6 n VAL 27 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xn6 n SER 28 N -0.45 -1.05 -2.30 -1.34 3.41 -0.13 -4.93 113.62 106.82 1xn6 n SER 28 Ca 0.12 -1.87 -0.10 0.00 -0.26 0.00 0.00 58.87 56.75 1xn6 n SER 28 Cb 0.81 0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 65.23 1xn6 n SER 28 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xn6 n THR 29 N -1.10 0.00 -0.12 6.66 -2.24 -1.25 -4.89 114.28 111.34 1xn6 n THR 29 Ca -0.13 -1.26 -0.18 0.00 -2.27 0.00 0.00 64.05 60.21 1xn6 n THR 29 Cb 0.77 0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 1xn6 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xn6 n ALA 30 N -1.56 1.48 0.06 6.98 0.00 -1.26 -4.10 120.51 122.10 1xn6 n ALA 30 Ca -0.08 -0.99 -0.21 0.00 0.00 0.00 0.00 53.44 52.16 1xn6 n ALA 30 Cb 0.37 -0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.67 1xn6 n ALA 30 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xn6 h GLU 31 N -0.13 0.32 -0.25 0.00 4.81 -1.97 -2.76 114.58 114.59 1xn6 h GLU 31 Ca -0.54 -0.55 0.06 0.00 -0.13 0.00 0.00 59.36 58.21 1xn6 h GLU 31 Cb 1.77 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 31.29 1xn6 h GLU 31 CO -0.12 1.26 -0.15 0.78 -0.73 0.00 0.00 179.01 180.04 1xn6 h GLY 32 N -0.29 0.03 0.91 1.92 0.00 -1.87 0.98 103.07 104.76 1xn6 h GLY 32 Ca -0.17 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1xn6 h GLY 32 CO 0.16 -0.16 -0.00 -2.22 0.00 0.00 0.00 176.54 174.31 1xn6 h ILE 33 N -0.13 1.07 -0.05 2.60 2.04 -1.71 -0.77 117.51 120.55 1xn6 h ILE 33 Ca 0.14 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1xn6 h ILE 33 Cb 0.34 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1xn6 h ILE 33 CO -0.33 0.06 0.31 0.00 0.00 0.00 0.00 178.15 178.19 1xn6 h ALA 34 N 0.89 1.41 0.00 1.87 0.00 -1.09 1.57 119.26 123.90 1xn6 h ALA 34 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xn6 h ALA 34 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xn6 h ALA 34 CO 0.00 -0.34 0.00 0.45 0.00 0.00 0.00 179.25 179.36 1xn6 n SER 35 N -3.02 0.00 -2.67 0.00 2.88 0.28 -4.06 113.62 107.03 1xn6 n SER 35 Ca -0.01 -0.51 -0.05 0.00 -1.33 0.00 0.00 58.87 56.97 1xn6 n SER 35 Cb 0.38 -0.13 0.09 0.00 -0.75 0.00 0.00 64.21 63.80 1xn6 n SER 35 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1xn6 n TRP 36 N -1.13 -0.84 0.00 0.66 4.27 0.52 -4.65 117.44 116.28 1xn6 n TRP 36 Ca 0.17 -0.87 0.00 0.00 -3.89 0.00 0.00 57.50 52.91 1xn6 n TRP 36 Cb 0.14 1.19 0.00 0.00 -1.36 0.00 0.00 31.31 31.28 1xn6 n TRP 36 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1xn6 n PHE 37 N 1.10 0.00 0.00 -2.67 7.35 -0.27 -4.89 117.46 118.08 1xn6 n PHE 37 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1xn6 n PHE 37 Cb 0.72 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.55 1xn6 n PHE 37 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1xn6 n MET 38 N 0.00 0.00 -2.40 -4.13 2.81 -1.25 -5.00 117.12 107.15 1xn6 n MET 38 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 1xn6 n MET 38 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1xn6 n MET 38 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1xn6 s PRO 39 N -2.00 4.13 0.31 0.03 0.04 -1.26 -3.77 135.00 132.47 1xn6 s PRO 39 Ca 0.00 1.56 -0.19 0.00 0.04 0.00 0.00 61.00 62.41 1xn6 s PRO 39 Cb 0.00 -3.81 0.06 0.00 0.04 0.00 0.00 34.50 30.78 1xn6 s PRO 39 CO 0.00 -0.85 0.85 0.54 0.04 0.00 0.00 177.00 177.58 1xn6 s ASN 40 N 2.33 -0.05 -0.73 6.66 6.03 -1.26 -1.29 114.94 126.63 1xn6 s ASN 40 Ca 0.56 -0.90 0.03 0.00 -1.03 0.00 0.00 52.86 51.52 1xn6 s ASN 40 Cb -0.21 0.73 0.29 0.00 -3.03 0.00 0.00 41.25 39.03 1xn6 s ASN 40 CO 0.18 -1.42 1.02 -0.67 -2.03 0.00 0.00 177.10 174.17 1xn6 n ASP 41 N -1.16 4.71 -3.72 3.54 2.03 -1.24 -4.82 116.55 115.90 1xn6 n ASP 41 Ca -0.06 -3.52 -0.34 0.00 0.52 0.00 0.00 54.79 51.38 1xn6 n ASP 41 Cb 0.60 -0.79 0.01 0.00 -0.72 0.00 0.00 41.12 40.22 1xn6 n ASP 41 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1xn6 n PHE 42 N 0.59 -2.85 -3.64 -0.67 7.35 -1.26 -4.83 117.46 112.14 1xn6 n PHE 42 Ca 0.31 0.34 -0.13 0.00 -0.76 0.00 0.00 57.45 57.21 1xn6 n PHE 42 Cb 0.38 -1.46 -0.13 0.00 0.35 0.00 0.00 39.48 38.63 1xn6 n PHE 42 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1xn6 s VAL 43 N -1.76 -0.44 -1.29 -2.13 0.11 -1.26 -4.72 120.40 108.90 1xn6 s VAL 43 Ca 0.48 0.24 -0.14 0.00 -2.93 0.00 0.00 61.98 59.63 1xn6 s VAL 43 Cb -0.40 -0.49 0.12 0.00 -1.53 0.00 0.00 36.38 34.08 1xn6 s VAL 43 CO 0.60 0.09 1.76 -0.11 -3.33 0.00 0.00 175.10 174.11 1xn6 n LEU 44 N 5.35 5.75 -3.73 2.54 7.94 -1.26 -4.88 117.00 128.71 1xn6 n LEU 44 Ca -0.06 -4.30 -0.12 0.00 -1.11 0.00 0.00 56.01 50.42 1xn6 n LEU 44 Cb 0.50 -1.63 -0.12 0.00 0.53 0.00 0.00 43.42 42.70 1xn6 n LEU 44 CO 0.03 0.78 -0.04 -1.61 -1.11 0.00 0.00 177.39 175.44 1xn6 s GLU 45 N 2.32 0.31 0.23 1.96 2.02 -1.26 -5.11 118.70 119.18 1xn6 s GLU 45 Ca 0.46 0.57 -0.30 0.00 0.02 0.00 0.00 54.97 55.72 1xn6 s GLU 45 Cb 0.05 0.01 -0.09 0.00 0.10 0.00 0.00 34.13 34.20 1xn6 s GLU 45 CO 0.01 -0.12 1.35 0.08 0.02 0.00 0.00 175.26 176.60 1xn6 s VAL 46 N 0.90 2.95 -0.97 2.63 1.01 -1.26 -1.85 120.40 123.80 1xn6 s VAL 46 Ca -0.06 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1xn6 s VAL 46 Cb -0.07 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1xn6 s VAL 46 CO -0.06 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1xn6 n GLY 47 N 2.09 1.01 3.32 4.51 0.00 -1.15 -4.96 105.19 110.01 1xn6 n GLY 47 Ca 0.05 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1xn6 n GLY 47 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xn6 s HIS 48 N -2.10 3.09 0.20 1.61 5.04 -0.77 -4.95 115.29 117.42 1xn6 s HIS 48 Ca 0.00 -1.02 0.06 0.00 -1.54 0.00 0.00 55.06 52.56 1xn6 s HIS 48 Cb 0.00 -2.19 -0.04 0.00 0.04 0.00 0.00 32.58 30.39 1xn6 s HIS 48 CO 0.00 -0.58 0.14 -1.83 -2.34 0.00 0.00 174.74 170.13 1xn6 s GLU 49 N 1.47 2.84 0.31 2.88 -1.05 -1.26 -3.16 118.70 120.74 1xn6 s GLU 49 Ca 0.03 -0.99 0.03 0.00 -0.15 0.00 0.00 54.97 53.89 1xn6 s GLU 49 Cb -0.16 -2.56 -0.05 0.00 -0.44 0.00 0.00 34.13 30.91 1xn6 s GLU 49 CO 0.00 0.44 0.09 -0.59 0.95 0.00 0.00 175.26 176.15 1xn6 s PHE 50 N -1.93 1.77 -0.04 4.83 -0.71 -0.21 -4.96 117.98 116.74 1xn6 s PHE 50 Ca 0.31 -1.10 -0.04 0.00 -1.04 0.00 0.00 56.93 55.07 1xn6 s PHE 50 Cb -0.09 -1.11 -0.04 0.00 -1.21 0.00 0.00 43.02 40.57 1xn6 s PHE 50 CO 0.23 -0.18 0.17 -1.01 -1.34 0.00 0.00 175.22 173.10 1xn6 s HIS 51 N -3.47 3.56 0.33 3.49 3.76 -1.26 -2.03 115.29 119.67 1xn6 s HIS 51 Ca 0.36 0.40 0.06 0.00 -0.15 0.00 0.00 55.06 55.73 1xn6 s HIS 51 Cb 0.08 -1.86 -0.07 0.00 1.11 0.00 0.00 32.58 31.84 1xn6 s HIS 51 CO 0.15 0.67 -0.02 0.08 -0.85 0.00 0.00 174.74 174.77 1xn6 s VAL 52 N -1.24 1.69 -0.15 -0.90 1.01 -1.26 -3.62 120.40 115.92 1xn6 s VAL 52 Ca 0.24 -2.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.14 1xn6 s VAL 52 Cb -0.12 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.59 1xn6 s VAL 52 CO 0.15 -0.14 -0.08 -1.10 0.00 0.00 0.00 175.10 173.93 1xn6 s GLN 53 N -3.75 1.64 0.19 2.72 -0.21 -0.41 -4.24 119.66 115.60 1xn6 s GLN 53 Ca 0.33 -0.46 0.09 0.00 0.02 0.00 0.00 55.36 55.34 1xn6 s GLN 53 Cb 0.06 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 32.12 1xn6 s GLN 53 CO 0.15 -0.35 -0.18 -1.54 -2.12 0.00 0.00 175.29 171.25 1xn6 s SER 54 N 1.62 2.82 0.00 5.90 1.04 -1.24 -4.16 113.70 119.68 1xn6 s SER 54 Ca 0.03 -0.92 0.23 0.00 0.48 0.00 0.00 55.95 55.76 1xn6 s SER 54 Cb -0.14 -0.18 1.20 0.00 0.10 0.00 0.00 66.02 67.01 1xn6 s SER 54 CO -0.08 -0.05 1.75 -0.81 0.98 0.00 0.00 173.24 175.03 1xn6 n PRO 55 N 0.01 0.40 -0.06 4.02 -0.04 -1.26 -3.74 135.00 134.33 1xn6 n PRO 55 Ca -0.11 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 1xn6 n PRO 55 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1xn6 n PRO 55 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xn6 n PHE 56 N -1.23 0.00 -3.75 0.54 7.35 -1.26 -5.12 117.46 113.99 1xn6 n PHE 56 Ca 0.12 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.78 1xn6 n PHE 56 Cb 0.16 -0.44 -0.01 0.00 0.35 0.00 0.00 39.48 39.54 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1xn6 s GLY 57 N -4.80 -0.24 -0.08 7.13 0.00 -1.25 -5.14 107.32 102.95 1xn6 s GLY 57 Ca -0.22 0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.34 1xn6 s GLY 57 CO 0.32 0.01 1.23 2.56 0.00 0.00 0.00 173.10 177.21 1xn6 s PRO 58 N -3.26 4.32 -0.33 2.90 0.04 -1.26 -3.70 135.00 133.71 1xn6 s PRO 58 Ca 0.12 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 1xn6 s PRO 58 Cb -0.01 -3.61 0.11 0.00 0.04 0.00 0.00 34.50 31.04 1xn6 s PRO 58 CO 0.02 -0.51 0.15 0.45 0.04 0.00 0.00 177.00 177.15 1xn6 s SER 59 N 1.62 3.53 0.94 6.66 0.15 -1.26 -4.88 113.70 120.46 1xn6 s SER 59 Ca 0.56 -1.75 -0.13 0.00 0.70 0.00 0.00 55.95 55.33 1xn6 s SER 59 Cb -0.24 -0.57 0.16 0.00 -1.71 0.00 0.00 66.02 63.66 1xn6 s SER 59 CO 0.21 -0.38 1.15 -2.16 1.20 0.00 0.00 173.24 173.26 1xn6 s PRO 60 N 1.53 0.87 0.06 5.44 0.04 -1.26 -4.11 135.00 137.58 1xn6 s PRO 60 Ca 0.12 0.19 0.06 0.00 0.04 0.00 0.00 61.00 61.41 1xn6 s PRO 60 Cb -0.19 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1xn6 s PRO 60 CO -0.20 -2.36 -0.16 0.00 0.04 0.00 0.00 177.00 174.31 1xn6 s LYS 62 N -1.46 1.08 0.05 0.00 2.20 -1.11 -1.04 119.74 119.46 1xn6 s LYS 62 Ca 0.02 -0.87 -0.34 0.00 -0.36 0.00 0.00 55.97 54.42 1xn6 s LYS 62 Cb -0.09 -2.32 -0.13 0.00 -1.51 0.00 0.00 37.83 33.78 1xn6 s LYS 62 CO 0.02 -0.73 1.74 0.28 -0.36 0.00 0.00 175.35 176.30 1xn6 n VAL 63 N 4.81 0.29 -0.09 4.02 0.31 -1.19 -1.67 118.33 124.82 1xn6 n VAL 63 Ca -0.08 -0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.08 1xn6 n VAL 63 Cb 0.44 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 1xn6 n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xn6 n LEU 64 N 5.04 1.83 -4.14 7.52 4.77 -0.79 -2.93 117.00 128.30 1xn6 n LEU 64 Ca 0.19 0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 56.57 1xn6 n LEU 64 Cb 0.30 -0.90 -0.11 0.00 -2.33 0.00 0.00 43.42 40.38 1xn6 n LEU 64 CO 0.68 -0.16 -0.42 -0.70 -1.33 0.00 0.00 177.39 175.45 1xn6 s GLU 65 N -2.31 0.75 -0.04 3.23 2.56 -1.16 -4.70 118.70 117.03 1xn6 s GLU 65 Ca -0.21 -0.99 0.02 0.00 0.00 0.00 0.00 54.97 53.79 1xn6 s GLU 65 Cb 0.04 -0.54 0.01 0.00 2.00 0.00 0.00 34.13 35.64 1xn6 s GLU 65 CO 0.37 0.10 -0.09 0.42 -0.56 0.00 0.00 175.26 175.50 1xn6 s ILE 66 N -1.82 0.86 -0.45 -3.70 1.01 -1.26 -2.25 121.20 113.59 1xn6 s ILE 66 Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1xn6 s ILE 66 Cb -0.07 -0.79 0.22 0.00 0.01 0.00 0.00 42.46 41.83 1xn6 s ILE 66 CO 0.01 0.28 0.93 0.47 0.00 0.00 0.00 174.94 176.62 1xn6 n ASP 67 N 3.63 -2.59 -0.26 3.58 8.00 -0.39 -4.99 116.55 123.54 1xn6 n ASP 67 Ca -0.22 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 52.80 1xn6 n ASP 67 Cb 0.53 1.43 0.07 0.00 -0.02 0.00 0.00 41.12 43.12 1xn6 n ASP 67 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1xn6 h GLU 68 N 4.26 -0.03 -2.68 -1.24 4.81 -1.98 1.15 114.58 118.88 1xn6 h GLU 68 Ca -0.06 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.88 1xn6 h GLU 68 Cb 1.11 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1xn6 h GLU 68 CO 0.05 -0.02 1.25 -0.35 -0.73 0.00 0.00 179.01 179.21 1xn6 n PRO 69 N -5.49 2.05 0.00 0.92 -0.04 -1.26 -3.96 135.00 127.22 1xn6 n PRO 69 Ca 0.09 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1xn6 n PRO 69 Cb 0.38 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1xn6 n PRO 69 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xn6 n ASN 70 N 3.19 0.00 0.00 3.54 4.05 -0.43 -5.14 115.26 120.46 1xn6 n ASN 70 Ca 0.44 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.47 1xn6 n ASN 70 Cb 0.47 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.48 1xn6 n ASN 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xn6 n HIS 71 N 0.00 0.00 -3.59 1.20 1.44 0.39 -2.34 115.22 112.31 1xn6 n HIS 71 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 1xn6 n HIS 71 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 1xn6 n HIS 71 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1xn6 s LEU 72 N 0.00 -0.10 0.21 2.39 2.34 -1.25 -1.26 118.68 121.01 1xn6 s LEU 72 Ca 0.00 0.35 0.08 0.00 0.06 0.00 0.00 54.13 54.62 1xn6 s LEU 72 Cb 0.00 2.10 -0.05 0.00 -0.56 0.00 0.00 46.19 47.69 1xn6 s LEU 72 CO 0.00 -0.63 -0.15 -0.44 -1.06 0.00 0.00 176.35 174.07 1xn6 s SER 73 N -1.58 2.68 -0.12 1.48 0.01 -0.96 -3.15 113.70 112.08 1xn6 s SER 73 Ca -0.09 -1.02 -0.22 0.00 1.31 0.00 0.00 55.95 55.93 1xn6 s SER 73 Cb -0.01 -0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.12 1xn6 s SER 73 CO 0.04 -0.15 0.55 0.72 0.41 0.00 0.00 173.24 174.80 1xn6 s PHE 74 N -2.92 -0.54 0.35 2.43 -0.12 -1.12 -1.89 117.98 114.16 1xn6 s PHE 74 Ca 0.23 1.12 -0.06 0.00 -0.05 0.00 0.00 56.93 58.17 1xn6 s PHE 74 Cb -0.01 0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 1xn6 s PHE 74 CO 0.08 -0.42 0.64 -1.54 -0.05 0.00 0.00 175.22 173.93 1xn6 s SER 75 N -0.53 6.44 -0.05 1.98 1.04 -0.67 -2.48 113.70 119.44 1xn6 s SER 75 Ca -0.06 0.85 0.05 0.00 0.48 0.00 0.00 55.95 57.27 1xn6 s SER 75 Cb -0.03 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1xn6 s SER 75 CO 0.04 -0.30 -0.20 0.86 0.98 0.00 0.00 173.24 174.63 1xn6 s TRP 76 N -2.25 2.55 0.91 5.02 -0.11 -1.08 -2.77 118.94 121.21 1xn6 s TRP 76 Ca 0.46 -0.36 -0.15 0.00 1.22 0.00 0.00 56.10 57.27 1xn6 s TRP 76 Cb -0.10 -1.60 0.21 0.00 -1.50 0.00 0.00 33.47 30.48 1xn6 s TRP 76 CO 0.32 0.03 1.21 -0.25 -4.62 0.00 0.00 176.95 173.64 1xn6 n ASP 77 N 2.52 -0.00 -4.08 5.86 9.92 -1.13 -4.11 116.55 125.53 1xn6 n ASP 77 Ca -0.17 -1.43 -0.31 0.00 -0.53 0.00 0.00 54.79 52.35 1xn6 n ASP 77 Cb 0.52 -0.93 -0.08 0.00 -0.64 0.00 0.00 41.12 39.99 1xn6 n ASP 77 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xn6 n THR 78 N -3.73 -0.46 0.00 -3.53 -2.24 -1.26 -4.72 114.28 98.34 1xn6 n THR 78 Ca 0.15 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1xn6 n THR 78 Cb 0.53 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1xn6 n THR 78 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xn6 n ASP 79 N -2.22 0.00 -2.53 3.42 8.00 -1.26 -4.95 116.55 117.02 1xn6 n ASP 79 Ca -0.10 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.28 1xn6 n ASP 79 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.53 1xn6 n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xn6 n GLY 80 N 0.00 2.41 3.33 0.44 0.00 -1.26 -4.43 105.19 105.68 1xn6 n GLY 80 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1xn6 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn6 s TRP 81 N 2.40 2.60 0.02 1.61 0.51 -1.26 -4.22 118.94 120.61 1xn6 s TRP 81 Ca 0.37 -0.62 0.01 0.00 -2.12 0.00 0.00 56.10 53.75 1xn6 s TRP 81 Cb 0.15 -1.68 -0.04 0.00 -0.81 0.00 0.00 33.47 31.10 1xn6 s TRP 81 CO -0.01 -0.15 0.05 0.08 -0.51 0.00 0.00 176.95 176.41 1xn6 s VAL 82 N -0.11 4.45 -0.06 4.03 1.01 0.48 -2.63 120.40 127.57 1xn6 s VAL 82 Ca -0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1xn6 s VAL 82 Cb -0.14 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1xn6 s VAL 82 CO 0.04 0.29 -0.00 -0.69 0.00 0.00 0.00 175.10 174.74 1xn6 s VAL 83 N -1.22 0.36 0.03 2.92 1.01 -1.03 -0.67 120.40 121.80 1xn6 s VAL 83 Ca 0.24 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1xn6 s VAL 83 Cb -0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1xn6 s VAL 83 CO 0.15 0.25 -0.09 -0.94 0.00 0.00 0.00 175.10 174.47 1xn6 s SER 84 N 1.82 0.99 -0.24 3.32 1.04 -0.03 -2.80 113.70 117.80 1xn6 s SER 84 Ca 0.03 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.05 1xn6 s SER 84 Cb -0.12 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.02 1xn6 s SER 84 CO -0.04 -0.09 -0.13 -0.36 0.98 0.00 0.00 173.24 173.59 1xn6 s PHE 85 N -0.98 3.13 0.35 5.02 0.08 -1.19 -1.03 117.98 123.36 1xn6 s PHE 85 Ca -0.05 -2.13 -0.17 0.00 0.12 0.00 0.00 56.93 54.71 1xn6 s PHE 85 Cb -0.08 -1.93 -0.10 0.00 -0.57 0.00 0.00 43.02 40.35 1xn6 s PHE 85 CO 0.01 -0.86 0.80 -0.51 -0.10 0.00 0.00 175.22 174.56 1xn6 s ASP 86 N 1.16 6.85 0.00 1.36 1.11 -0.29 -3.88 116.67 122.97 1xn6 s ASP 86 Ca -0.05 1.42 0.05 0.00 0.18 0.00 0.00 52.55 54.15 1xn6 s ASP 86 Cb -0.18 -2.43 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 1xn6 s ASP 86 CO -0.07 -0.24 -0.17 -0.76 1.18 0.00 0.00 175.17 175.12 1xn6 s LEU 87 N -2.97 2.07 -0.05 1.23 1.02 -0.99 -2.43 118.68 116.55 1xn6 s LEU 87 Ca 0.56 -0.34 0.02 0.00 0.02 0.00 0.00 54.13 54.39 1xn6 s LEU 87 Cb -0.10 -0.82 0.01 0.00 0.02 0.00 0.00 46.19 45.29 1xn6 s LEU 87 CO 0.16 0.17 -0.11 -0.75 0.02 0.00 0.00 176.35 175.84 1xn6 s LYS 88 N -0.58 1.45 -0.64 1.70 2.20 -0.66 -4.81 119.74 118.41 1xn6 s LYS 88 Ca 0.06 -0.38 -0.25 0.00 -0.36 0.00 0.00 55.97 55.03 1xn6 s LYS 88 Cb -0.07 -1.25 0.04 0.00 -1.51 0.00 0.00 37.83 35.04 1xn6 s LYS 88 CO -0.00 0.07 1.10 0.34 -0.36 0.00 0.00 175.35 176.49 1xn6 s ASP 89 N 0.49 6.27 -0.20 1.43 2.15 -1.26 -1.98 116.67 123.56 1xn6 s ASP 89 Ca -0.10 -0.45 -0.11 0.00 0.43 0.00 0.00 52.55 52.32 1xn6 s ASP 89 Cb -0.13 -2.49 -0.20 0.00 -0.30 0.00 0.00 42.92 39.80 1xn6 s ASP 89 CO 0.02 -1.51 0.08 0.18 -0.17 0.00 0.00 175.17 173.77 1xn6 n LEU 90 N 8.28 2.32 0.00 -1.34 4.77 -1.14 -4.99 117.00 124.90 1xn6 n LEU 90 Ca 0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1xn6 n LEU 90 Cb 0.48 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1xn6 n LEU 90 CO 0.67 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 1xn6 n GLY 91 N 1.72 -1.04 3.45 -0.72 0.00 -0.42 -4.93 105.19 103.24 1xn6 n GLY 91 Ca -0.39 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.25 1xn6 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn6 n ASP 92 N 0.00 -3.36 -2.84 1.61 9.92 -1.26 0.20 116.55 120.82 1xn6 n ASP 92 Ca 0.00 -0.43 -0.21 0.00 -0.53 0.00 0.00 54.79 53.62 1xn6 n ASP 92 Cb 0.00 -2.80 0.04 0.00 -0.64 0.00 0.00 41.12 37.72 1xn6 n ASP 92 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1xn6 n ASN 93 N -2.27 -5.81 -4.13 -2.24 4.13 -1.26 -4.89 115.26 98.79 1xn6 n ASN 93 Ca 0.00 -0.29 -0.17 0.00 1.68 0.00 0.00 54.58 55.80 1xn6 n ASN 93 Cb 0.53 -4.62 -0.12 0.00 -1.54 0.00 0.00 39.78 34.03 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1xn6 s LYS 94 N -5.66 0.76 -0.10 3.52 1.02 0.54 0.18 119.74 119.99 1xn6 s LYS 94 Ca 0.30 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.35 1xn6 s LYS 94 Cb -0.13 -0.71 0.03 0.00 -0.52 0.00 0.00 37.83 36.50 1xn6 s LYS 94 CO 0.38 0.16 0.33 0.99 -0.92 0.00 0.00 175.35 176.28 1xn6 s THR 95 N -1.14 0.01 -0.23 2.17 2.01 -1.01 -1.30 115.64 116.16 1xn6 s THR 95 Ca -0.03 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.66 1xn6 s THR 95 Cb -0.09 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 1xn6 s THR 95 CO 0.01 -0.06 0.65 -0.70 -0.69 0.00 0.00 174.62 173.83 1xn6 s GLU 96 N -0.15 4.17 -0.15 4.92 2.12 -0.84 -2.23 118.70 126.53 1xn6 s GLU 96 Ca -0.03 0.62 -0.05 0.00 0.36 0.00 0.00 54.97 55.86 1xn6 s GLU 96 Cb -0.03 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1xn6 s GLU 96 CO 0.01 -0.34 0.02 0.12 -0.54 0.00 0.00 175.26 174.54 1xn6 s PHE 97 N 2.25 3.18 -0.23 5.30 2.19 0.33 -1.65 117.98 129.35 1xn6 s PHE 97 Ca 0.28 0.01 -0.02 0.00 0.33 0.00 0.00 56.93 57.54 1xn6 s PHE 97 Cb -0.16 -1.98 0.07 0.00 -1.31 0.00 0.00 43.02 39.65 1xn6 s PHE 97 CO 0.09 0.19 0.04 0.99 1.83 0.00 0.00 175.22 178.36 1xn6 s THR 98 N 0.05 0.79 -0.27 0.12 2.01 -1.02 -0.01 115.64 117.32 1xn6 s THR 98 Ca 0.03 -0.90 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 1xn6 s THR 98 Cb -0.13 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1xn6 s THR 98 CO 0.01 -0.32 0.60 -0.22 -0.69 0.00 0.00 174.62 174.00 1xn6 s LEU 99 N 1.71 4.08 -0.19 4.42 0.20 -1.04 -1.14 118.68 126.72 1xn6 s LEU 99 Ca 0.01 0.60 0.01 0.00 0.69 0.00 0.00 54.13 55.44 1xn6 s LEU 99 Cb -0.17 -2.79 0.03 0.00 -0.43 0.00 0.00 46.19 42.82 1xn6 s LEU 99 CO -0.12 -0.37 -0.15 -0.63 -0.29 0.00 0.00 176.35 174.78 1xn6 s ILE 100 N 2.47 1.87 -0.25 6.68 1.01 -0.19 -0.95 121.20 131.84 1xn6 s ILE 100 Ca 0.25 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1xn6 s ILE 100 Cb -0.15 -1.81 0.07 0.00 0.01 0.00 0.00 42.46 40.58 1xn6 s ILE 100 CO 0.09 0.35 -0.03 -2.28 0.00 0.00 0.00 174.94 173.07 1xn6 s HIS 101 N 1.33 2.44 0.00 3.97 5.65 -1.17 -0.85 115.29 126.67 1xn6 s HIS 101 Ca 0.01 -1.85 0.00 0.00 0.25 0.00 0.00 55.06 53.47 1xn6 s HIS 101 Cb -0.15 -1.70 0.00 0.00 -1.18 0.00 0.00 32.58 29.55 1xn6 s HIS 101 CO -0.10 -0.80 0.00 0.41 -0.65 0.00 0.00 174.74 173.60 1xn6 n GLY 102 N 4.65 5.91 0.00 1.59 0.00 0.15 -3.37 105.19 114.12 1xn6 n GLY 102 Ca -0.10 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1xn6 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xn6 n GLY 103 N 2.04 2.28 3.21 -0.02 0.00 -1.26 0.18 105.19 111.63 1xn6 n GLY 103 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 1xn6 n GLY 103 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xn6 n TRP 104 N 0.00 -2.63 0.02 1.61 7.02 -1.26 -4.87 117.44 117.33 1xn6 n TRP 104 Ca 0.00 -0.34 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 1xn6 n TRP 104 Cb 0.00 -1.44 0.00 0.00 -2.42 0.00 0.00 31.31 27.45 1xn6 n TRP 104 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1xn6 n LYS 105 N -4.01 0.00 -4.70 -0.99 0.00 -1.26 -4.92 118.16 102.29 1xn6 n LYS 105 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.15 1xn6 n LYS 105 Cb 0.52 -0.08 -0.15 0.00 0.00 0.00 0.00 35.03 35.32 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1xn6 s HIS 106 N -1.25 1.42 -0.06 5.64 3.76 -1.26 -3.59 115.29 119.95 1xn6 s HIS 106 Ca 0.00 -0.28 -0.26 0.00 -0.15 0.00 0.00 55.06 54.37 1xn6 s HIS 106 Cb 0.00 -0.90 -0.23 0.00 1.11 0.00 0.00 32.58 32.56 1xn6 s HIS 106 CO 0.00 -0.01 1.04 -1.00 -0.85 0.00 0.00 174.74 173.92 1xn6 h PRO 107 N 5.62 0.09 -0.87 8.40 0.13 -1.99 -3.13 132.00 140.25 1xn6 h PRO 107 Ca -0.36 -0.09 0.25 0.00 -0.87 0.00 0.00 66.00 64.93 1xn6 h PRO 107 Cb 1.16 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1xn6 h PRO 107 CO 0.48 0.82 0.89 -0.44 -0.23 0.00 0.00 178.00 179.51 1xn6 h ASP 108 N -0.60 0.00 -2.68 1.44 3.32 -2.02 -3.39 116.42 112.50 1xn6 h ASP 108 Ca -0.01 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.47 1xn6 h ASP 108 Cb 0.85 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 1xn6 h ASP 108 CO 0.02 0.00 -0.51 -1.83 -1.72 0.00 0.00 179.24 175.21 1xn6 s GLU 109 N -4.59 3.24 0.15 3.56 -1.05 -1.18 -5.11 118.70 113.72 1xn6 s GLU 109 Ca -0.04 -0.67 0.03 0.00 -0.15 0.00 0.00 54.97 54.15 1xn6 s GLU 109 Cb 0.16 -2.86 -0.04 0.00 -0.44 0.00 0.00 34.13 30.96 1xn6 s GLU 109 CO 0.57 0.52 0.26 0.42 0.95 0.00 0.00 175.26 177.98 1xn6 s ILE 110 N -1.70 5.18 -0.02 1.83 -1.09 -1.26 -4.63 121.20 119.51 1xn6 s ILE 110 Ca 0.33 -0.76 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 1xn6 s ILE 110 Cb -0.11 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1xn6 s ILE 110 CO 0.26 -0.10 0.07 -0.22 -1.23 0.00 0.00 174.94 173.73 1xn6 s LEU 111 N -3.23 3.88 1.08 2.97 0.20 -1.26 -4.98 118.68 117.33 1xn6 s LEU 111 Ca 0.34 0.16 -0.18 0.00 0.69 0.00 0.00 54.13 55.14 1xn6 s LEU 111 Cb -0.11 -2.21 0.24 0.00 -0.43 0.00 0.00 46.19 43.68 1xn6 s LEU 111 CO 0.28 0.29 1.22 -2.16 -0.29 0.00 0.00 176.35 175.68 1xn6 s PRO 112 N -1.62 -0.27 -0.42 0.98 0.04 -1.26 0.15 135.00 132.60 1xn6 s PRO 112 Ca 0.22 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1xn6 s PRO 112 Cb -0.12 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1xn6 s PRO 112 CO 0.12 -3.05 0.00 1.17 0.04 0.00 0.00 177.00 175.29 1xn6 n LYS 113 N -4.25 -2.46 0.13 4.56 0.00 -1.26 -4.04 118.16 110.84 1xn6 n LYS 113 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1xn6 n LYS 113 Cb 0.59 -4.71 0.00 0.00 0.00 0.00 0.00 35.03 30.92 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xn6 n ALA 114 N -2.10 0.00 -0.95 3.14 0.00 -1.24 -4.71 120.51 114.64 1xn6 n ALA 114 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1xn6 n ALA 114 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1xn6 n ALA 114 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xn6 n ASN 115 N -3.06 -5.70 -1.19 0.00 5.15 0.39 -5.02 115.26 105.84 1xn6 n ASN 115 Ca 0.00 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1xn6 n ASN 115 Cb 0.00 -0.77 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xn6 n ALA 116 N -0.42 -1.69 -1.63 5.20 0.00 -1.26 -4.67 120.51 116.04 1xn6 n ALA 116 Ca 0.00 0.35 -0.52 0.00 0.00 0.00 0.00 53.44 53.27 1xn6 n ALA 116 Cb 0.12 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 1xn6 n ALA 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xn6 n LYS 117 N -1.70 1.48 -0.26 0.00 5.02 -1.26 -4.55 118.16 116.89 1xn6 n LYS 117 Ca 0.00 0.51 0.06 0.00 -2.02 0.00 0.00 58.31 56.86 1xn6 n LYS 117 Cb 0.20 -2.40 0.20 0.00 -0.02 0.00 0.00 35.03 33.01 1xn6 n LYS 117 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xn6 h SER 118 N 9.45 0.26 -1.17 4.39 4.64 -1.82 0.54 113.55 129.84 1xn6 h SER 118 Ca -0.42 0.12 0.34 0.00 -0.47 0.00 0.00 61.79 61.36 1xn6 h SER 118 Cb 1.30 0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.44 1xn6 h SER 118 CO 0.97 0.08 0.84 0.77 -0.87 0.00 0.00 176.83 178.63 1xn6 h SER 119 N 0.43 0.01 0.03 4.97 4.64 -1.88 0.66 113.55 122.41 1xn6 h SER 119 Ca 0.43 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.70 1xn6 h SER 119 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1xn6 h SER 119 CO -0.43 0.00 -0.28 0.40 -0.87 0.00 0.00 176.83 175.66 1xn6 h ILE 120 N 0.01 1.67 -0.23 0.95 2.04 -0.30 -2.60 117.51 119.05 1xn6 h ILE 120 Ca 0.56 -2.38 0.05 0.00 1.00 0.00 0.00 64.86 64.10 1xn6 h ILE 120 Cb 2.23 3.27 -0.05 0.00 -0.74 0.00 0.00 36.82 41.52 1xn6 h ILE 120 CO -0.02 0.61 -0.09 0.40 0.00 0.00 0.00 178.15 179.06 1xn6 h ILE 121 N -0.86 0.69 0.00 -0.67 5.03 0.25 0.73 117.51 122.67 1xn6 h ILE 121 Ca -0.06 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.66 1xn6 h ILE 121 Cb 1.16 0.69 -0.00 0.00 -3.03 0.00 0.00 36.82 35.64 1xn6 h ILE 121 CO 0.02 0.00 -0.10 0.08 -0.68 0.00 0.00 178.15 177.47 1xn6 h ARG 122 N -0.05 0.00 -0.05 2.37 0.11 -0.01 0.21 114.38 116.96 1xn6 h ARG 122 Ca 0.12 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.13 1xn6 h ARG 122 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1xn6 h ARG 122 CO -0.27 0.10 -0.24 0.22 0.10 0.00 0.00 179.97 179.88 1xn6 h ASP 123 N 0.00 0.30 0.02 0.08 1.82 -0.42 0.15 116.42 118.38 1xn6 h ASP 123 Ca -0.00 -0.66 -0.00 0.00 -0.39 0.00 0.00 57.03 55.98 1xn6 h ASP 123 Cb 0.18 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1xn6 h ASP 123 CO 0.01 0.91 -0.01 0.03 -1.61 0.00 0.00 179.24 178.57 1xn6 h ARG 124 N -0.29 -0.03 -0.39 0.28 3.08 0.93 -1.63 114.38 116.33 1xn6 h ARG 124 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1xn6 h ARG 124 Cb 0.90 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1xn6 h ARG 124 CO 0.05 0.12 0.13 0.52 -1.07 0.00 0.00 179.97 179.72 1xn6 h MET 125 N -0.17 0.59 -0.26 0.04 2.86 -0.69 -2.56 114.93 114.75 1xn6 h MET 125 Ca -0.00 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1xn6 h MET 125 Cb 0.16 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.66 1xn6 h MET 125 CO 0.01 0.59 -0.23 1.03 1.06 0.00 0.00 176.91 179.36 1xn6 h SER 126 N 0.48 -0.75 -0.96 1.22 0.87 -0.59 1.50 113.55 115.31 1xn6 h SER 126 Ca 0.13 0.14 0.13 0.00 -1.23 0.00 0.00 61.79 60.95 1xn6 h SER 126 Cb 0.23 0.36 -0.09 0.00 -0.44 0.00 0.00 62.40 62.47 1xn6 h SER 126 CO -0.01 -0.27 0.59 1.23 -0.53 0.00 0.00 176.83 177.84 1xn6 h GLY 127 N -0.23 1.58 1.62 5.77 0.00 -1.17 0.86 103.07 111.51 1xn6 h GLY 127 Ca 0.14 -0.39 -0.21 0.00 0.00 0.00 0.00 47.33 46.88 1xn6 h GLY 127 CO -0.39 0.12 -0.88 -1.33 0.00 0.00 0.00 176.54 174.05 1xn6 h GLY 128 N 0.91 0.39 1.05 4.60 0.00 -0.62 -2.36 103.07 107.04 1xn6 h GLY 128 Ca 0.49 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1xn6 h GLY 128 CO -0.28 0.58 -0.22 1.49 0.00 0.00 0.00 176.54 178.10 1xn6 h TRP 129 N 0.20 1.02 -0.25 5.60 -0.00 0.36 0.85 115.95 123.73 1xn6 h TRP 129 Ca -0.06 -0.26 0.00 0.00 -0.00 0.00 0.00 58.89 58.57 1xn6 h TRP 129 Cb 1.50 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 30.42 1xn6 h TRP 129 CO 0.05 1.04 0.16 0.28 -0.00 0.00 0.00 178.44 179.98 1xn6 h VAL 130 N 0.70 1.06 0.10 1.49 2.07 0.69 1.35 116.25 123.71 1xn6 h VAL 130 Ca 0.09 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xn6 h VAL 130 Cb 0.79 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xn6 h VAL 130 CO 0.06 0.06 -0.05 0.00 0.02 0.00 0.00 177.57 177.67 1xn6 h ALA 131 N 1.09 -0.13 -0.69 1.67 0.00 -1.27 -0.22 119.26 119.72 1xn6 h ALA 131 Ca 0.09 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1xn6 h ALA 131 Cb -0.04 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1xn6 h ALA 131 CO -0.02 -0.36 0.45 0.82 0.00 0.00 0.00 179.25 180.14 1xn6 h ILE 132 N -0.56 0.95 0.00 0.00 2.04 0.89 1.21 117.51 122.04 1xn6 h ILE 132 Ca -0.01 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1xn6 h ILE 132 Cb 0.45 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1xn6 h ILE 132 CO 0.02 0.11 -0.53 0.58 0.00 0.00 0.00 178.15 178.33 1xn6 h VAL 133 N 0.61 1.30 -0.65 1.67 2.07 0.20 -1.79 116.25 119.64 1xn6 h VAL 133 Ca 0.31 -1.89 -0.47 0.00 0.82 0.00 0.00 66.70 65.48 1xn6 h VAL 133 Cb 0.42 2.04 -0.34 0.00 -1.52 0.00 0.00 31.29 31.89 1xn6 h VAL 133 CO -0.10 0.52 -0.53 0.59 0.02 0.00 0.00 177.57 178.07 1xn6 n ASN 134 N -3.78 4.64 0.05 0.57 3.02 0.11 -3.20 115.26 116.68 1xn6 n ASN 134 Ca -0.01 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 1xn6 n ASN 134 Cb 0.57 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1xn6 n ASN 134 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xn6 n GLU 135 N -0.82 0.00 -0.02 3.52 -0.58 0.38 -4.89 120.64 118.23 1xn6 n GLU 135 Ca 0.42 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.14 1xn6 n GLU 135 Cb 0.91 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.77 1xn6 n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xn6 n LYS 136 N -2.83 0.14 -0.33 3.49 5.02 -0.69 -3.91 118.16 119.04 1xn6 n LYS 136 Ca 0.00 0.06 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 1xn6 n LYS 136 Cb 0.00 -0.72 -0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1xn6 n LYS 136 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xn6 n LEU 137 N -3.03 -0.66 0.01 -0.35 -0.00 -1.09 0.21 117.00 112.09 1xn6 n LEU 137 Ca -0.04 1.48 -0.10 0.00 -0.00 0.00 0.00 56.01 57.35 1xn6 n LEU 137 Cb 0.14 -0.29 -0.04 0.00 -0.00 0.00 0.00 43.42 43.23 1xn6 n LEU 137 CO 0.06 -1.29 0.67 0.50 -0.00 0.00 0.00 177.39 177.33 1xn6 h LYS 138 N 0.00 -0.35 -0.60 1.96 3.64 -1.79 0.67 116.57 120.09 1xn6 h LYS 138 Ca 0.24 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.70 1xn6 h LYS 138 Cb 0.45 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1xn6 h LYS 138 CO -0.82 -0.24 0.40 -0.22 -2.27 0.00 0.00 179.45 176.30 1xn6 h LYS 139 N -0.37 0.59 0.35 1.90 3.64 0.90 1.63 116.57 125.22 1xn6 h LYS 139 Ca 0.10 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1xn6 h LYS 139 Cb 0.51 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1xn6 h LYS 139 CO -0.33 0.39 -0.17 0.28 -2.27 0.00 0.00 179.45 177.36 1xn6 h VAL 140 N 0.61 0.65 0.50 2.00 2.07 0.53 1.49 116.25 124.11 1xn6 h VAL 140 Ca 0.26 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1xn6 h VAL 140 Cb 0.24 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1xn6 h VAL 140 CO -0.08 0.08 -0.24 0.58 0.02 0.00 0.00 177.57 177.93 1xn6 h VAL 141 N -0.70 0.35 -0.80 2.57 2.07 0.92 -3.04 116.25 117.63 1xn6 h VAL 141 Ca -0.05 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.13 1xn6 h VAL 141 Cb 0.49 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1xn6 h VAL 141 CO 0.08 0.05 0.52 -0.08 0.02 0.00 0.00 177.57 178.16 1xn6 h GLU 142 N -0.99 0.73 0.00 1.57 4.81 0.23 -3.48 114.58 117.44 1xn6 h GLU 142 Ca -0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1xn6 h GLU 142 Cb 0.61 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1xn6 h GLU 142 CO 0.11 0.48 0.00 0.41 -0.73 0.00 0.00 179.01 179.29