#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 -3.01 -3.71 0.03 4.71 -1.26 -5.11 120.64 112.29 1xn6 n GLU 2 Ca 0.00 2.38 0.02 0.00 -0.01 0.00 0.00 57.16 59.55 1xn6 n GLU 2 Cb 0.00 -2.70 0.00 0.00 -1.01 0.00 0.00 31.44 27.73 1xn6 n GLU 2 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1xn6 s GLN 3 N -1.39 0.38 1.10 3.49 -0.21 -1.26 -5.16 119.66 116.60 1xn6 s GLN 3 Ca 0.00 -0.22 -0.12 0.00 0.02 0.00 0.00 55.36 55.04 1xn6 s GLN 3 Cb 0.00 0.12 0.25 0.00 1.00 0.00 0.00 33.01 34.38 1xn6 s GLN 3 CO 0.00 -0.18 1.06 -0.65 -2.12 0.00 0.00 175.29 173.41 1xn6 s GLN 4 N -2.29 -0.41 0.16 2.91 -0.21 -1.26 -5.05 119.66 113.51 1xn6 s GLN 4 Ca 0.18 1.09 -0.07 0.00 0.02 0.00 0.00 55.36 56.58 1xn6 s GLN 4 Cb 0.04 -1.59 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 1xn6 s GLN 4 CO -0.03 -3.45 0.22 0.54 -2.12 0.00 0.00 175.29 170.45 1xn6 s ASN 5 N -2.51 0.11 0.21 5.90 2.20 -1.26 -5.12 114.94 114.47 1xn6 s ASN 5 Ca 0.68 -0.97 0.00 0.00 -0.94 0.00 0.00 52.86 51.63 1xn6 s ASN 5 Cb -0.25 0.40 0.00 0.00 -2.00 0.00 0.00 41.25 39.40 1xn6 s ASN 5 CO 0.63 -0.85 0.00 0.41 -2.94 0.00 0.00 177.10 174.35 1xn6 n THR 6 N -0.19 0.00 -2.35 0.54 -1.04 -1.26 -4.83 114.28 105.16 1xn6 n THR 6 Ca -0.07 0.07 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1xn6 n THR 6 Cb 0.63 -0.34 0.05 0.00 -1.82 0.00 0.00 70.33 68.85 1xn6 n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xn6 s LEU 7 N -4.66 3.03 0.43 -4.42 1.43 0.23 -4.73 118.68 109.99 1xn6 s LEU 7 Ca 0.00 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 1xn6 s LEU 7 Cb 0.00 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 1xn6 s LEU 7 CO 0.00 -1.35 0.03 0.20 0.23 0.00 0.00 176.35 175.46 1xn6 s ASN 8 N -4.43 3.99 -0.20 2.29 -0.87 -1.26 -4.96 114.94 109.51 1xn6 s ASN 8 Ca 0.58 -1.41 -0.16 0.00 -1.57 0.00 0.00 52.86 50.30 1xn6 s ASN 8 Cb -0.11 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.25 40.89 1xn6 s ASN 8 CO 0.44 -0.56 0.39 -1.81 -2.57 0.00 0.00 177.10 172.99 1xn6 s ASP 9 N -3.77 6.44 -0.93 -1.22 1.11 -1.26 -4.95 116.67 112.09 1xn6 s ASP 9 Ca 0.29 0.52 -0.26 0.00 0.18 0.00 0.00 52.55 53.27 1xn6 s ASP 9 Cb 0.07 -2.23 -0.18 0.00 1.07 0.00 0.00 42.92 41.65 1xn6 s ASP 9 CO 0.15 -0.07 2.27 -0.63 1.18 0.00 0.00 175.17 178.07 1xn6 s ILE 10 N 1.26 3.01 -0.07 0.77 1.01 -1.00 -4.81 121.20 121.38 1xn6 s ILE 10 Ca 0.19 -0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.64 1xn6 s ILE 10 Cb -0.15 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1xn6 s ILE 10 CO 0.08 -0.03 0.51 -0.75 0.00 0.00 0.00 174.94 174.75 1xn6 s LYS 11 N 8.72 4.27 -0.45 2.79 2.20 -1.24 -2.69 119.74 133.34 1xn6 s LYS 11 Ca 0.87 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 57.04 1xn6 s LYS 11 Cb -0.09 -3.38 0.14 0.00 -1.51 0.00 0.00 37.83 32.99 1xn6 s LYS 11 CO 0.13 0.29 0.25 -0.65 -0.36 0.00 0.00 175.35 175.01 1xn6 s GLN 12 N 0.14 1.38 -0.15 4.03 -0.21 -0.02 -4.93 119.66 119.90 1xn6 s GLN 12 Ca 0.27 -2.10 -0.27 0.00 0.02 0.00 0.00 55.36 53.28 1xn6 s GLN 12 Cb -0.16 -2.45 -0.01 0.00 1.00 0.00 0.00 33.01 31.39 1xn6 s GLN 12 CO 0.13 -1.16 0.92 0.99 -2.12 0.00 0.00 175.29 174.04 1xn6 s THR 13 N 0.24 4.82 0.03 -0.19 2.01 -1.26 -2.29 115.64 119.02 1xn6 s THR 13 Ca 0.18 1.83 -0.15 0.00 0.31 0.00 0.00 61.69 63.86 1xn6 s THR 13 Cb -0.24 -4.22 0.02 0.00 0.01 0.00 0.00 72.50 68.08 1xn6 s THR 13 CO -0.00 -0.00 0.33 -0.51 -0.69 0.00 0.00 174.62 173.74 1xn6 s ILE 14 N 2.19 0.07 -0.11 1.82 2.07 0.10 -5.01 121.20 122.34 1xn6 s ILE 14 Ca 0.43 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 1xn6 s ILE 14 Cb -0.17 -0.89 -0.02 0.00 0.13 0.00 0.00 42.46 41.51 1xn6 s ILE 14 CO 0.14 -0.33 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.03 1xn6 s VAL 15 N -2.35 3.21 0.12 4.00 1.01 -1.26 0.44 120.40 125.58 1xn6 s VAL 15 Ca -0.06 -0.62 0.11 0.00 0.00 0.00 0.00 61.98 61.40 1xn6 s VAL 15 Cb -0.01 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1xn6 s VAL 15 CO -0.02 0.54 -0.26 -0.36 0.00 0.00 0.00 175.10 175.00 1xn6 s PHE 16 N 0.05 2.27 -1.49 5.22 0.08 -0.96 -4.98 117.98 118.16 1xn6 s PHE 16 Ca -0.04 -0.38 -0.13 0.00 0.12 0.00 0.00 56.93 56.49 1xn6 s PHE 16 Cb -0.14 -1.23 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1xn6 s PHE 16 CO 0.04 0.32 2.38 -1.71 -0.10 0.00 0.00 175.22 176.15 1xn6 n ASN 17 N 0.96 4.94 -3.09 1.36 2.85 -1.26 -2.37 115.26 118.64 1xn6 n ASN 17 Ca -0.18 -2.79 -0.10 0.00 -0.11 0.00 0.00 54.58 51.40 1xn6 n ASN 17 Cb 0.53 -1.64 0.01 0.00 1.24 0.00 0.00 39.78 39.92 1xn6 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xn6 s ALA 18 N 2.93 -0.47 0.20 5.20 0.00 0.33 -4.86 121.76 125.09 1xn6 s ALA 18 Ca 0.52 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.66 1xn6 s ALA 18 Cb 0.15 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 1xn6 s ALA 18 CO -0.08 -0.95 0.22 -1.12 0.00 0.00 0.00 175.76 173.83 1xn6 s SER 19 N -3.09 5.81 0.26 0.00 0.01 -1.25 -1.08 113.70 114.37 1xn6 s SER 19 Ca 0.18 -0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.34 1xn6 s SER 19 Cb -0.04 -1.59 0.54 0.00 0.21 0.00 0.00 66.02 65.14 1xn6 s SER 19 CO 0.13 0.00 1.71 -0.29 0.41 0.00 0.00 173.24 175.20 1xn6 h ILE 20 N 1.62 0.56 -0.26 1.44 2.10 -1.87 0.46 117.51 121.57 1xn6 h ILE 20 Ca -0.49 -0.13 0.02 0.00 1.08 0.00 0.00 64.86 65.34 1xn6 h ILE 20 Cb 1.22 0.14 -0.03 0.00 -1.09 0.00 0.00 36.82 37.07 1xn6 h ILE 20 CO 0.63 0.07 0.10 1.56 -1.08 0.00 0.00 178.15 179.43 1xn6 h GLN 21 N 0.38 0.22 0.89 2.19 1.08 -1.94 0.98 115.11 118.90 1xn6 h GLN 21 Ca 0.46 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.60 1xn6 h GLN 21 Cb 0.78 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1xn6 h GLN 21 CO -0.48 0.14 -0.43 -0.22 -0.95 0.00 0.00 178.83 176.90 1xn6 h LYS 22 N 0.23 -1.15 -0.85 1.46 3.64 -1.19 0.20 116.57 118.91 1xn6 h LYS 22 Ca 0.11 0.08 0.16 0.00 -1.27 0.00 0.00 60.65 59.73 1xn6 h LYS 22 Cb 0.06 0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1xn6 h LYS 22 CO -0.10 -0.76 0.56 0.28 -2.27 0.00 0.00 179.45 177.16 1xn6 h VAL 23 N -1.25 0.77 -0.10 2.00 2.07 -0.09 0.17 116.25 119.82 1xn6 h VAL 23 Ca -0.12 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1xn6 h VAL 23 Cb 0.92 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1xn6 h VAL 23 CO 0.20 0.10 0.04 -0.25 0.02 0.00 0.00 177.57 177.68 1xn6 h TRP 24 N 0.52 0.14 -0.61 1.57 2.91 0.15 -1.76 115.95 118.87 1xn6 h TRP 24 Ca 0.43 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.60 1xn6 h TRP 24 Cb 0.89 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.47 1xn6 h TRP 24 CO -0.00 0.24 0.43 1.03 -1.03 0.00 0.00 178.44 179.11 1xn6 h SER 25 N 0.01 0.13 0.40 2.65 0.87 0.23 1.45 113.55 119.29 1xn6 h SER 25 Ca 0.03 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1xn6 h SER 25 Cb 0.16 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1xn6 h SER 25 CO -0.00 0.07 0.00 0.52 -0.53 0.00 0.00 176.83 176.89 1xn6 n VAL 26 N -4.41 0.35 -2.69 2.23 0.31 -0.55 -2.79 118.33 110.79 1xn6 n VAL 26 Ca 0.11 0.09 -0.06 0.00 -0.01 0.00 0.00 64.34 64.47 1xn6 n VAL 26 Cb 0.59 -0.74 0.04 0.00 -0.91 0.00 0.00 33.84 32.82 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 -1.29 1.35 -1.93 2.52 0.24 0.49 -4.29 118.33 115.42 1xn6 n VAL 27 Ca 0.10 -3.19 -0.06 0.00 -2.04 0.00 0.00 64.34 59.16 1xn6 n VAL 27 Cb 0.17 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.23 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 -0.43 -0.80 -4.13 -1.34 3.41 -0.77 -4.94 113.62 104.61 1xn6 n SER 28 Ca 0.13 -1.67 -0.09 0.00 -0.26 0.00 0.00 58.87 56.98 1xn6 n SER 28 Cb 0.81 0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 64.91 1xn6 n SER 28 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xn6 s THR 29 N 0.00 0.30 -0.12 6.66 -4.23 -1.24 -4.96 115.64 112.05 1xn6 s THR 29 Ca 0.00 -1.87 -0.16 0.00 -1.18 0.00 0.00 61.69 58.48 1xn6 s THR 29 Cb 0.00 -1.71 -0.26 0.00 1.34 0.00 0.00 72.50 71.87 1xn6 s THR 29 CO 0.00 -0.82 0.51 0.00 -0.54 0.00 0.00 174.62 173.78 1xn6 h ALA 30 N 3.02 0.20 0.14 3.99 0.00 -1.90 -3.16 119.26 121.55 1xn6 h ALA 30 Ca -0.35 -1.10 -0.23 0.00 0.00 0.00 0.00 54.91 53.23 1xn6 h ALA 30 Cb 1.16 0.51 0.03 0.00 0.00 0.00 0.00 17.79 19.49 1xn6 h ALA 30 CO 0.64 0.82 -0.98 1.49 0.00 0.00 0.00 179.25 181.22 1xn6 h GLU 31 N -0.37 0.42 -0.11 0.00 4.22 -1.96 -2.04 114.58 114.73 1xn6 h GLU 31 Ca -0.31 -0.64 0.04 0.00 0.08 0.00 0.00 59.36 58.53 1xn6 h GLU 31 Cb 1.71 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 31.14 1xn6 h GLU 31 CO 0.03 1.29 -0.16 0.78 -2.18 0.00 0.00 179.01 178.77 1xn6 h GLY 32 N -0.13 -0.12 0.95 1.92 0.00 -1.90 0.16 103.07 103.96 1xn6 h GLY 32 Ca -0.16 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1xn6 h GLY 32 CO 0.19 -0.16 0.01 -2.22 0.00 0.00 0.00 176.54 174.36 1xn6 h ILE 33 N -0.21 1.26 -0.01 2.60 2.04 -1.67 -1.69 117.51 119.83 1xn6 h ILE 33 Ca 0.09 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1xn6 h ILE 33 Cb 0.34 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1xn6 h ILE 33 CO -0.23 0.34 0.11 0.00 0.00 0.00 0.00 178.15 178.37 1xn6 h ALA 34 N 0.89 1.16 0.00 1.87 0.00 -0.77 0.86 119.26 123.27 1xn6 h ALA 34 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xn6 h ALA 34 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xn6 h ALA 34 CO 0.02 -0.11 0.00 0.45 0.00 0.00 0.00 179.25 179.61 1xn6 n SER 35 N -3.10 0.00 -2.70 0.00 2.88 0.51 -3.82 113.62 107.39 1xn6 n SER 35 Ca -0.02 -0.19 -0.07 0.00 -1.33 0.00 0.00 58.87 57.26 1xn6 n SER 35 Cb 0.18 -0.24 0.09 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.24 -1.93 0.01 0.66 4.27 0.28 -4.83 117.44 114.65 1xn6 n TRP 36 Ca 0.13 -1.48 0.00 0.00 -3.89 0.00 0.00 57.50 52.27 1xn6 n TRP 36 Cb 0.19 1.42 0.00 0.00 -1.36 0.00 0.00 31.31 31.56 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 0.74 -1.65 0.00 -2.67 -0.00 -0.31 -4.88 117.46 108.68 1xn6 n PHE 37 Ca 0.02 0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 1xn6 n PHE 37 Cb 0.71 0.45 0.00 0.00 -0.00 0.00 0.00 39.48 40.64 1xn6 n PHE 37 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1xn6 n MET 38 N -2.44 0.00 -2.41 -4.13 2.81 -1.25 -5.01 117.12 104.69 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 4.22 0.21 0.03 0.04 -1.26 -3.93 135.00 132.30 1xn6 s PRO 39 Ca 0.00 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 1xn6 s PRO 39 Cb 0.00 -3.78 0.06 0.00 0.04 0.00 0.00 34.50 30.83 1xn6 s PRO 39 CO 0.00 -0.73 0.85 0.27 0.04 0.00 0.00 177.00 177.43 1xn6 n ASN 40 N 6.66 -1.65 -3.80 6.66 6.94 -1.26 -2.66 115.26 126.16 1xn6 n ASN 40 Ca 0.14 -1.95 -0.28 0.00 -0.02 0.00 0.00 54.58 52.47 1xn6 n ASN 40 Cb 0.45 2.70 -0.11 0.00 -2.36 0.00 0.00 39.78 40.45 1xn6 n ASN 40 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1xn6 n ASP 41 N -1.27 2.94 -4.34 0.53 8.00 -1.25 -4.80 116.55 116.36 1xn6 n ASP 41 Ca -0.03 -3.20 -0.33 0.00 0.71 0.00 0.00 54.79 51.93 1xn6 n ASP 41 Cb 0.51 -0.73 0.13 0.00 -0.02 0.00 0.00 41.12 41.01 1xn6 n ASP 41 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1xn6 n PHE 42 N 1.82 -1.62 -3.70 1.24 7.35 -1.26 -4.75 117.46 116.54 1xn6 n PHE 42 Ca 0.22 0.19 -0.14 0.00 -0.76 0.00 0.00 57.45 56.97 1xn6 n PHE 42 Cb 0.37 -1.68 -0.09 0.00 0.35 0.00 0.00 39.48 38.43 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 -2.31 0.01 -0.87 -2.13 0.11 -1.26 -4.77 120.40 109.18 1xn6 s VAL 43 Ca 0.55 -0.10 -0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1xn6 s VAL 43 Cb -0.17 -0.69 0.23 0.00 -1.53 0.00 0.00 36.38 34.22 1xn6 s VAL 43 CO 0.68 -0.05 0.82 -0.11 -3.33 0.00 0.00 175.10 173.11 1xn6 n LEU 44 N 2.30 4.26 -3.66 2.54 7.94 -1.26 -4.97 117.00 124.16 1xn6 n LEU 44 Ca -0.16 -5.18 -0.06 0.00 -1.11 0.00 0.00 56.01 49.50 1xn6 n LEU 44 Cb 0.57 -1.04 -0.07 0.00 0.53 0.00 0.00 43.42 43.40 1xn6 n LEU 44 CO 0.15 1.65 0.18 -1.61 -1.11 0.00 0.00 177.39 176.64 1xn6 s GLU 45 N -1.64 0.50 0.16 1.96 2.02 -1.26 -5.09 118.70 115.34 1xn6 s GLU 45 Ca 0.29 1.20 -0.31 0.00 0.02 0.00 0.00 54.97 56.17 1xn6 s GLU 45 Cb -0.03 0.46 -0.11 0.00 0.10 0.00 0.00 34.13 34.55 1xn6 s GLU 45 CO -0.10 -0.20 1.78 0.08 0.02 0.00 0.00 175.26 176.84 1xn6 s VAL 46 N 2.39 2.31 0.00 2.63 1.01 -1.26 -0.45 120.40 127.03 1xn6 s VAL 46 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1xn6 s VAL 46 Cb -0.10 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1xn6 s VAL 46 CO -0.16 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1xn6 n GLY 47 N 4.12 0.79 3.81 4.51 0.00 -1.25 -5.03 105.19 112.13 1xn6 n GLY 47 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.97 3.57 0.21 1.61 5.04 0.41 -4.92 115.29 118.24 1xn6 s HIS 48 Ca 0.00 0.64 0.10 0.00 -1.54 0.00 0.00 55.06 54.25 1xn6 s HIS 48 Cb 0.00 -2.17 -0.05 0.00 0.04 0.00 0.00 32.58 30.41 1xn6 s HIS 48 CO 0.00 0.52 -0.18 -1.83 -2.34 0.00 0.00 174.74 170.91 1xn6 s GLU 49 N -0.45 1.42 0.07 2.88 -1.05 -1.26 -1.81 118.70 118.50 1xn6 s GLU 49 Ca 0.17 -1.56 0.00 0.00 -0.15 0.00 0.00 54.97 53.43 1xn6 s GLU 49 Cb -0.13 -1.45 -0.04 0.00 -0.44 0.00 0.00 34.13 32.07 1xn6 s GLU 49 CO 0.06 0.28 -0.04 -0.59 0.95 0.00 0.00 175.26 175.91 1xn6 s PHE 50 N -2.34 0.70 0.06 4.83 -0.71 0.54 -4.97 117.98 116.08 1xn6 s PHE 50 Ca 0.21 -1.00 -0.09 0.00 -1.04 0.00 0.00 56.93 55.01 1xn6 s PHE 50 Cb -0.05 -0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 41.26 1xn6 s PHE 50 CO 0.09 -0.28 0.36 -1.58 -1.34 0.00 0.00 175.22 172.48 1xn6 s HIS 51 N -3.79 3.59 0.19 3.49 2.46 -1.26 -0.05 115.29 119.92 1xn6 s HIS 51 Ca 0.10 0.73 0.07 0.00 0.47 0.00 0.00 55.06 56.43 1xn6 s HIS 51 Cb 0.07 -2.12 -0.05 0.00 -0.13 0.00 0.00 32.58 30.36 1xn6 s HIS 51 CO -0.07 0.55 -0.14 0.08 -2.47 0.00 0.00 174.74 172.68 1xn6 s VAL 52 N -1.36 1.66 -0.20 0.89 1.01 -1.19 -3.81 120.40 117.40 1xn6 s VAL 52 Ca 0.31 -2.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.11 1xn6 s VAL 52 Cb -0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1xn6 s VAL 52 CO 0.17 -0.57 -0.03 -1.10 0.00 0.00 0.00 175.10 173.58 1xn6 s GLN 53 N -3.50 3.51 0.29 2.72 -1.52 -1.09 -3.18 119.66 116.89 1xn6 s GLN 53 Ca 0.20 -0.57 0.05 0.00 -1.95 0.00 0.00 55.36 53.09 1xn6 s GLN 53 Cb -0.01 -3.02 -0.06 0.00 -0.22 0.00 0.00 33.01 29.70 1xn6 s GLN 53 CO 0.06 -0.06 -0.01 -1.54 -0.25 0.00 0.00 175.29 173.50 1xn6 s SER 54 N 1.15 2.54 0.00 5.90 1.04 -1.19 -4.58 113.70 118.56 1xn6 s SER 54 Ca 0.02 -1.27 0.22 0.00 0.48 0.00 0.00 55.95 55.41 1xn6 s SER 54 Cb -0.15 -0.12 1.06 0.00 0.10 0.00 0.00 66.02 66.91 1xn6 s SER 54 CO 0.00 -0.46 1.72 -0.81 0.98 0.00 0.00 173.24 174.67 1xn6 n PRO 55 N -0.61 0.19 -0.11 4.02 -0.04 -1.26 -3.65 135.00 133.53 1xn6 n PRO 55 Ca -0.04 0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.35 1xn6 n PRO 55 Cb 0.65 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.38 0.10 -3.74 0.54 -0.00 -1.26 -5.12 117.46 106.60 1xn6 n PHE 56 Ca 0.08 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 1xn6 n PHE 56 Cb 0.21 -0.71 0.00 0.00 -0.00 0.00 0.00 39.48 38.98 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xn6 n GLY 57 N 1.40 0.69 3.58 7.13 0.00 -1.24 -5.10 105.19 111.65 1xn6 n GLY 57 Ca -0.28 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1xn6 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn6 s PRO 58 N -1.71 3.29 -0.46 1.61 0.04 -1.26 -3.15 135.00 133.36 1xn6 s PRO 58 Ca 0.00 0.62 -0.02 0.00 0.04 0.00 0.00 61.00 61.64 1xn6 s PRO 58 Cb 0.00 -4.13 0.12 0.00 0.04 0.00 0.00 34.50 30.53 1xn6 s PRO 58 CO 0.00 -1.94 0.25 -1.12 0.04 0.00 0.00 177.00 174.24 1xn6 s SER 59 N 4.77 5.13 0.73 6.66 0.01 -1.19 -4.91 113.70 124.89 1xn6 s SER 59 Ca 0.57 -2.33 -0.11 0.00 1.31 0.00 0.00 55.95 55.39 1xn6 s SER 59 Cb -0.12 -1.80 0.03 0.00 0.21 0.00 0.00 66.02 64.34 1xn6 s SER 59 CO 0.27 -0.46 1.07 -2.16 0.41 0.00 0.00 173.24 172.37 1xn6 s PRO 60 N 0.70 2.66 0.02 12.44 0.04 -1.26 -3.17 135.00 146.42 1xn6 s PRO 60 Ca 0.11 0.84 0.04 0.00 0.04 0.00 0.00 61.00 62.04 1xn6 s PRO 60 Cb -0.22 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1xn6 s PRO 60 CO -0.04 -1.27 -0.13 0.00 0.04 0.00 0.00 177.00 175.60 1xn6 s LYS 62 N -0.84 2.48 0.24 0.00 2.20 -1.19 -0.34 119.74 122.29 1xn6 s LYS 62 Ca 0.02 -0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 1xn6 s LYS 62 Cb -0.07 -2.03 -0.10 0.00 -1.51 0.00 0.00 37.83 34.12 1xn6 s LYS 62 CO 0.01 -0.01 1.46 0.08 -0.36 0.00 0.00 175.35 176.53 1xn6 s VAL 63 N 0.82 2.65 -0.24 4.02 1.01 -0.75 -1.24 120.40 126.67 1xn6 s VAL 63 Ca -0.09 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 1xn6 s VAL 63 Cb -0.16 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1xn6 s VAL 63 CO 0.00 0.08 -0.36 0.18 0.00 0.00 0.00 175.10 175.01 1xn6 n LEU 64 N 2.57 1.95 -3.99 3.92 4.77 -0.32 -3.87 117.00 122.03 1xn6 n LEU 64 Ca 0.08 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1xn6 n LEU 64 Cb 0.40 -0.79 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 1xn6 n LEU 64 CO 0.61 0.21 -0.39 -0.70 -1.33 0.00 0.00 177.39 175.79 1xn6 s GLU 65 N -2.68 0.38 -0.05 3.23 2.56 -0.92 -4.82 118.70 116.39 1xn6 s GLU 65 Ca -0.35 -0.47 0.02 0.00 0.00 0.00 0.00 54.97 54.17 1xn6 s GLU 65 Cb 0.10 -0.19 0.02 0.00 2.00 0.00 0.00 34.13 36.06 1xn6 s GLU 65 CO 0.46 0.04 -0.09 0.42 -0.56 0.00 0.00 175.26 175.53 1xn6 s ILE 66 N -0.88 0.86 -0.47 -3.70 1.01 -1.26 -0.20 121.20 116.56 1xn6 s ILE 66 Ca -0.07 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.30 1xn6 s ILE 66 Cb -0.07 -0.81 0.19 0.00 0.01 0.00 0.00 42.46 41.79 1xn6 s ILE 66 CO -0.00 0.29 0.78 -1.81 0.00 0.00 0.00 174.94 174.20 1xn6 s ASP 67 N 0.68 -1.25 0.20 3.58 1.01 0.13 -4.97 116.67 116.06 1xn6 s ASP 67 Ca -0.12 -1.33 -0.15 0.00 0.71 0.00 0.00 52.55 51.66 1xn6 s ASP 67 Cb -0.14 1.63 0.20 0.00 1.01 0.00 0.00 42.92 45.61 1xn6 s ASP 67 CO 0.02 -0.06 1.62 -0.08 0.21 0.00 0.00 175.17 176.88 1xn6 h GLU 68 N 5.19 -0.05 -2.69 8.23 4.81 -1.98 1.51 114.58 129.60 1xn6 h GLU 68 Ca 0.05 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.98 1xn6 h GLU 68 Cb 1.13 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1xn6 h GLU 68 CO 0.00 -0.03 1.28 -0.35 -0.73 0.00 0.00 179.01 179.19 1xn6 n PRO 69 N -5.43 2.06 0.00 0.92 -0.04 -1.26 -3.96 135.00 127.29 1xn6 n PRO 69 Ca 0.06 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1xn6 n PRO 69 Cb 0.33 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 3.20 0.00 0.00 3.54 4.05 -0.66 -5.14 115.26 120.25 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 0.46 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.47 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 -4.12 1.20 1.44 0.51 -2.29 115.22 111.96 1xn6 n HIS 71 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1xn6 n HIS 71 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 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 0.86 0.00 2.39 2.34 -1.25 -0.69 118.68 122.34 1xn6 s LEU 72 Ca 0.00 -1.21 -0.08 0.00 0.06 0.00 0.00 54.13 52.91 1xn6 s LEU 72 Cb 0.00 0.90 0.00 0.00 -0.56 0.00 0.00 46.19 46.53 1xn6 s LEU 72 CO 0.00 -0.95 0.14 -0.94 -1.06 0.00 0.00 176.35 173.55 1xn6 s SER 73 N -3.10 0.02 -0.10 1.48 1.04 0.72 -3.35 113.70 110.42 1xn6 s SER 73 Ca 0.32 -0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.35 1xn6 s SER 73 Cb 0.04 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.41 1xn6 s SER 73 CO 0.10 -0.38 0.46 0.72 0.98 0.00 0.00 173.24 175.12 1xn6 s PHE 74 N -1.44 -0.43 0.46 5.02 -0.71 -1.19 -1.17 117.98 118.52 1xn6 s PHE 74 Ca -0.14 0.90 -0.01 0.00 -1.04 0.00 0.00 56.93 56.64 1xn6 s PHE 74 Cb -0.07 0.20 -0.00 0.00 -1.21 0.00 0.00 43.02 41.93 1xn6 s PHE 74 CO 0.01 -0.38 0.70 -1.54 -1.34 0.00 0.00 175.22 172.68 1xn6 s SER 75 N -0.60 5.84 -0.16 1.98 1.04 -0.37 -2.21 113.70 119.21 1xn6 s SER 75 Ca -0.07 0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.73 1xn6 s SER 75 Cb -0.03 -1.60 0.02 0.00 0.10 0.00 0.00 66.02 64.51 1xn6 s SER 75 CO 0.04 -0.73 -0.17 0.86 0.98 0.00 0.00 173.24 174.22 1xn6 s TRP 76 N -2.61 2.49 0.60 5.02 -0.11 -0.32 -3.19 118.94 120.82 1xn6 s TRP 76 Ca 0.49 -1.43 -0.10 0.00 1.22 0.00 0.00 56.10 56.27 1xn6 s TRP 76 Cb -0.10 -1.76 0.15 0.00 -1.50 0.00 0.00 33.47 30.25 1xn6 s TRP 76 CO 0.39 -0.73 0.60 -0.25 -4.62 0.00 0.00 176.95 172.34 1xn6 n ASP 77 N 4.65 -1.11 -4.27 5.86 9.92 -0.75 -1.65 116.55 129.20 1xn6 n ASP 77 Ca -0.19 -0.96 -0.38 0.00 -0.53 0.00 0.00 54.79 52.73 1xn6 n ASP 77 Cb 0.50 -0.52 -0.07 0.00 -0.64 0.00 0.00 41.12 40.39 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 -3.51 -0.09 0.00 -3.53 -2.24 -1.26 -4.21 114.28 99.44 1xn6 n THR 78 Ca 0.08 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1xn6 n THR 78 Cb 0.30 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.21 0.00 0.00 3.42 8.00 -1.25 -4.93 116.55 119.57 1xn6 n ASP 79 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1xn6 n ASP 79 Cb 0.43 0.00 0.00 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 -0.50 0.57 3.86 0.44 0.00 -0.66 -4.86 105.19 104.05 1xn6 n GLY 80 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.52 3.49 -0.04 1.61 0.51 -1.25 -4.56 118.94 117.18 1xn6 s TRP 81 Ca 0.00 1.23 0.06 0.00 -2.12 0.00 0.00 56.10 55.27 1xn6 s TRP 81 Cb 0.00 -2.61 -0.01 0.00 -0.81 0.00 0.00 33.47 30.04 1xn6 s TRP 81 CO 0.00 -0.30 -0.22 0.08 -0.51 0.00 0.00 176.95 176.00 1xn6 s VAL 82 N -2.61 1.76 -0.12 4.03 1.01 -0.06 -1.18 120.40 123.24 1xn6 s VAL 82 Ca 0.54 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1xn6 s VAL 82 Cb -0.10 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1xn6 s VAL 82 CO 0.35 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 175.17 1xn6 s VAL 83 N -0.26 1.15 0.02 2.92 1.01 -0.94 -1.12 120.40 123.18 1xn6 s VAL 83 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1xn6 s VAL 83 Cb -0.11 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1xn6 s VAL 83 CO 0.01 0.39 -0.05 -0.44 0.00 0.00 0.00 175.10 175.00 1xn6 s SER 84 N 1.56 0.60 -0.27 3.32 0.01 -0.69 -3.15 113.70 115.08 1xn6 s SER 84 Ca 0.03 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 56.93 1xn6 s SER 84 Cb -0.13 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.14 1xn6 s SER 84 CO -0.08 -0.11 -0.04 -0.36 0.41 0.00 0.00 173.24 173.06 1xn6 s PHE 85 N -0.85 3.14 0.40 2.43 0.08 -1.21 -1.68 117.98 120.29 1xn6 s PHE 85 Ca -0.06 -1.68 -0.12 0.00 0.12 0.00 0.00 56.93 55.19 1xn6 s PHE 85 Cb -0.06 -2.07 -0.07 0.00 -0.57 0.00 0.00 43.02 40.24 1xn6 s PHE 85 CO -0.00 -0.76 0.79 -0.51 -0.10 0.00 0.00 175.22 174.64 1xn6 s ASP 86 N 1.29 6.58 0.00 1.36 1.11 -0.39 -3.74 116.67 122.88 1xn6 s ASP 86 Ca -0.02 1.21 0.01 0.00 0.18 0.00 0.00 52.55 53.93 1xn6 s ASP 86 Cb -0.18 -2.35 -0.00 0.00 1.07 0.00 0.00 42.92 41.46 1xn6 s ASP 86 CO -0.03 -0.39 -0.02 -0.76 1.18 0.00 0.00 175.17 175.15 1xn6 s LEU 87 N -3.72 2.02 -0.06 1.23 1.02 -0.97 -2.81 118.68 115.39 1xn6 s LEU 87 Ca 0.53 -0.06 -0.00 0.00 0.02 0.00 0.00 54.13 54.61 1xn6 s LEU 87 Cb -0.10 -0.10 0.03 0.00 0.02 0.00 0.00 46.19 46.03 1xn6 s LEU 87 CO 0.29 0.01 -0.02 -0.75 0.02 0.00 0.00 176.35 175.90 1xn6 s LYS 88 N -0.13 0.67 -0.31 1.70 2.20 -0.87 -4.74 119.74 118.25 1xn6 s LYS 88 Ca -0.00 0.01 -0.29 0.00 -0.36 0.00 0.00 55.97 55.34 1xn6 s LYS 88 Cb -0.01 -0.86 -0.00 0.00 -1.51 0.00 0.00 37.83 35.44 1xn6 s LYS 88 CO -0.00 -0.19 1.43 0.34 -0.36 0.00 0.00 175.35 176.57 1xn6 s ASP 89 N 1.43 6.47 -0.26 1.43 2.15 -1.26 -1.24 116.67 125.38 1xn6 s ASP 89 Ca -0.03 1.20 -0.07 0.00 0.43 0.00 0.00 52.55 54.08 1xn6 s ASP 89 Cb -0.13 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.82 1xn6 s ASP 89 CO -0.03 -1.25 -0.29 0.18 -0.17 0.00 0.00 175.17 173.61 1xn6 n LEU 90 N 8.30 2.34 0.00 -1.34 4.77 -1.15 -4.96 117.00 124.96 1xn6 n LEU 90 Ca 0.17 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1xn6 n LEU 90 Cb 0.47 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1xn6 n LEU 90 CO 0.66 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 1xn6 n GLY 91 N 1.74 -0.58 2.23 -0.72 0.00 -0.87 -4.94 105.19 102.05 1xn6 n GLY 91 Ca -0.49 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.18 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 -3.66 -1.11 1.61 8.00 -1.26 0.19 116.55 120.32 1xn6 n ASP 92 Ca 0.00 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.65 1xn6 n ASP 92 Cb 0.00 -3.24 -0.00 0.00 -0.02 0.00 0.00 41.12 37.85 1xn6 n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xn6 n ASN 93 N -1.19 -3.27 -4.36 -2.24 5.15 -1.26 -4.92 115.26 103.17 1xn6 n ASN 93 Ca -0.14 -0.02 -0.24 0.00 -0.60 0.00 0.00 54.58 53.58 1xn6 n ASN 93 Cb 0.52 -2.52 -0.12 0.00 -0.53 0.00 0.00 39.78 37.14 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xn6 s LYS 94 N -4.51 1.34 -0.09 1.20 1.02 0.50 0.12 119.74 119.32 1xn6 s LYS 94 Ca 0.01 -1.40 -0.10 0.00 0.02 0.00 0.00 55.97 54.49 1xn6 s LYS 94 Cb -0.00 -1.54 0.03 0.00 -0.52 0.00 0.00 37.83 35.79 1xn6 s LYS 94 CO 0.01 0.33 0.28 0.99 -0.92 0.00 0.00 175.35 176.04 1xn6 s THR 95 N -1.73 0.01 -0.38 2.17 2.01 -0.26 -2.04 115.64 115.42 1xn6 s THR 95 Ca 0.16 -0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.85 1xn6 s THR 95 Cb -0.07 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 72.02 1xn6 s THR 95 CO 0.07 -0.04 0.78 -0.70 -0.69 0.00 0.00 174.62 174.04 1xn6 s GLU 96 N -0.06 3.69 -0.21 4.92 2.12 -0.38 -2.28 118.70 126.51 1xn6 s GLU 96 Ca -0.02 0.24 -0.11 0.00 0.36 0.00 0.00 54.97 55.44 1xn6 s GLU 96 Cb -0.03 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.48 1xn6 s GLU 96 CO 0.01 -0.90 0.18 0.12 -0.54 0.00 0.00 175.26 174.13 1xn6 s PHE 97 N 3.14 3.38 -0.23 5.30 2.19 0.17 -2.05 117.98 129.87 1xn6 s PHE 97 Ca 0.31 0.34 -0.02 0.00 0.33 0.00 0.00 56.93 57.89 1xn6 s PHE 97 Cb -0.13 -2.25 0.07 0.00 -1.31 0.00 0.00 43.02 39.40 1xn6 s PHE 97 CO 0.18 0.17 0.05 0.99 1.83 0.00 0.00 175.22 178.44 1xn6 s THR 98 N 0.72 0.68 -0.22 0.12 2.01 -1.12 0.00 115.64 117.84 1xn6 s THR 98 Ca 0.10 -0.84 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 1xn6 s THR 98 Cb -0.12 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1xn6 s THR 98 CO 0.02 -0.33 0.60 -0.22 -0.69 0.00 0.00 174.62 173.99 1xn6 s LEU 99 N 1.76 4.12 -0.12 4.42 2.96 -0.97 -1.26 118.68 129.59 1xn6 s LEU 99 Ca 0.01 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1xn6 s LEU 99 Cb -0.17 -2.82 -0.00 0.00 0.50 0.00 0.00 46.19 43.69 1xn6 s LEU 99 CO -0.13 -0.28 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.79 1xn6 s ILE 100 N 2.02 2.32 -0.15 6.68 1.09 -0.68 -0.84 121.20 131.64 1xn6 s ILE 100 Ca 0.26 -0.91 -0.01 0.00 -1.10 0.00 0.00 60.65 58.89 1xn6 s ILE 100 Cb -0.16 -1.92 0.04 0.00 -1.06 0.00 0.00 42.46 39.36 1xn6 s ILE 100 CO 0.10 0.54 -0.03 -2.28 -0.10 0.00 0.00 174.94 173.17 1xn6 s HIS 101 N 0.52 1.39 0.03 3.97 5.65 -1.09 -1.70 115.29 124.06 1xn6 s HIS 101 Ca -0.13 -0.86 0.00 0.00 0.25 0.00 0.00 55.06 54.32 1xn6 s HIS 101 Cb -0.17 -1.17 0.00 0.00 -1.18 0.00 0.00 32.58 30.06 1xn6 s HIS 101 CO 0.05 -0.56 0.00 0.41 -0.65 0.00 0.00 174.74 173.99 1xn6 n GLY 102 N 4.96 3.98 0.00 1.59 0.00 -0.27 -2.37 105.19 113.06 1xn6 n GLY 102 Ca -0.11 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 4.61 2.16 3.94 -0.02 0.00 -1.26 -0.88 105.19 113.74 1xn6 n GLY 103 Ca -0.01 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1xn6 n GLY 103 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn6 s TRP 104 N -0.01 3.40 0.00 1.61 0.52 -1.26 -4.82 118.94 118.38 1xn6 s TRP 104 Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 56.10 56.47 1xn6 s TRP 104 Cb 0.00 -2.08 0.00 0.00 -1.15 0.00 0.00 33.47 30.24 1xn6 s TRP 104 CO 0.00 -0.09 0.00 1.63 0.02 0.00 0.00 176.95 178.51 1xn6 n LYS 105 N -1.93 0.00 -4.21 4.98 5.02 -1.26 -4.88 118.16 115.88 1xn6 n LYS 105 Ca -0.02 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 1xn6 n LYS 105 Cb 0.57 -0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.49 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xn6 s HIS 106 N -0.48 3.03 0.93 2.13 3.76 -1.26 0.74 115.29 124.14 1xn6 s HIS 106 Ca 0.00 0.02 -0.13 0.00 -0.15 0.00 0.00 55.06 54.80 1xn6 s HIS 106 Cb 0.00 -1.60 0.15 0.00 1.11 0.00 0.00 32.58 32.24 1xn6 s HIS 106 CO 0.00 0.47 1.15 -1.25 -0.85 0.00 0.00 174.74 174.25 1xn6 s PRO 107 N -1.95 1.00 0.00 8.40 0.04 -1.26 -3.98 135.00 137.25 1xn6 s PRO 107 Ca 0.23 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1xn6 s PRO 107 Cb -0.12 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1xn6 s PRO 107 CO 0.15 -2.28 0.00 -3.47 0.04 0.00 0.00 177.00 171.44 1xn6 n ASP 108 N -3.81 0.00 -4.70 6.66 2.03 -1.26 -4.90 116.55 110.57 1xn6 n ASP 108 Ca 0.07 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 1xn6 n ASP 108 Cb 0.59 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.96 1xn6 n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1xn6 n GLU 109 N 0.00 2.64 -2.33 -0.67 0.28 -1.26 -4.80 120.64 114.50 1xn6 n GLU 109 Ca 0.00 0.96 -0.31 0.00 -0.16 0.00 0.00 57.16 57.65 1xn6 n GLU 109 Cb 0.00 -2.80 -0.02 0.00 1.43 0.00 0.00 31.44 30.06 1xn6 n GLU 109 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xn6 s ILE 110 N 1.53 4.67 -0.03 3.84 -1.09 -1.26 -4.55 121.20 124.31 1xn6 s ILE 110 Ca 0.78 0.92 0.01 0.00 -2.23 0.00 0.00 60.65 60.13 1xn6 s ILE 110 Cb -0.54 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 1xn6 s ILE 110 CO 0.35 -0.82 -0.03 -0.22 -1.23 0.00 0.00 174.94 172.98 1xn6 s LEU 111 N -4.44 3.34 1.02 2.97 0.20 -1.26 -5.01 118.68 115.50 1xn6 s LEU 111 Ca 0.55 -0.03 -0.16 0.00 0.69 0.00 0.00 54.13 55.19 1xn6 s LEU 111 Cb -0.10 -1.85 0.21 0.00 -0.43 0.00 0.00 46.19 44.01 1xn6 s LEU 111 CO 0.40 0.32 1.19 -2.16 -0.29 0.00 0.00 176.35 175.80 1xn6 s PRO 112 N -1.23 0.23 -0.87 0.98 0.04 -1.26 0.44 135.00 133.32 1xn6 s PRO 112 Ca 0.16 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1xn6 s PRO 112 Cb -0.11 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1xn6 s PRO 112 CO 0.06 -2.75 0.00 1.17 0.04 0.00 0.00 177.00 175.52 1xn6 n LYS 113 N -4.08 -1.98 0.19 4.56 4.81 -1.26 -4.24 118.16 116.16 1xn6 n LYS 113 Ca 0.12 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1xn6 n LYS 113 Cb 0.59 -4.92 0.00 0.00 0.02 0.00 0.00 35.03 30.73 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xn6 n ALA 114 N -1.44 0.04 -0.24 3.14 0.00 -1.24 -4.45 120.51 116.31 1xn6 n ALA 114 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.35 1xn6 n ALA 114 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.27 -1.46 -1.30 0.00 2.85 0.17 -5.04 115.26 107.21 1xn6 n ASN 115 Ca 0.00 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1xn6 n ASN 115 Cb 0.00 -0.39 0.00 0.00 1.24 0.00 0.00 39.78 40.63 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xn6 n ALA 116 N -0.54 -1.79 -1.66 5.20 0.00 -1.26 -4.67 120.51 115.79 1xn6 n ALA 116 Ca 0.00 0.38 -0.50 0.00 0.00 0.00 0.00 53.44 53.32 1xn6 n ALA 116 Cb 0.06 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.50 1.73 0.10 0.00 5.02 -1.26 -4.48 118.16 117.77 1xn6 n LYS 117 Ca 0.00 0.63 -0.13 0.00 -2.02 0.00 0.00 58.31 56.78 1xn6 n LYS 117 Cb 0.15 -2.36 -0.08 0.00 -0.02 0.00 0.00 35.03 32.72 1xn6 n LYS 117 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1xn6 h SER 118 N 6.39 -0.16 -1.20 4.39 0.02 -1.85 -1.56 113.55 119.59 1xn6 h SER 118 Ca -0.47 -0.06 0.35 0.00 -0.84 0.00 0.00 61.79 60.78 1xn6 h SER 118 Cb 1.29 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.82 1xn6 h SER 118 CO 0.88 -0.05 1.03 0.77 -1.14 0.00 0.00 176.83 178.32 1xn6 h SER 119 N -0.26 0.00 0.00 3.07 4.64 -1.91 0.78 113.55 119.87 1xn6 h SER 119 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1xn6 h SER 119 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1xn6 h SER 119 CO 0.03 0.00 -0.08 0.40 -0.87 0.00 0.00 176.83 176.31 1xn6 h ILE 120 N 0.00 1.60 -0.25 0.95 2.04 -1.68 -2.38 117.51 117.79 1xn6 h ILE 120 Ca 0.57 -2.23 0.06 0.00 1.00 0.00 0.00 64.86 64.26 1xn6 h ILE 120 Cb 2.62 3.05 -0.06 0.00 -0.74 0.00 0.00 36.82 41.69 1xn6 h ILE 120 CO -0.01 0.54 -0.12 0.40 0.00 0.00 0.00 178.15 178.97 1xn6 h ILE 121 N -1.00 0.63 0.00 -0.67 5.03 0.11 0.76 117.51 122.37 1xn6 h ILE 121 Ca -0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.69 1xn6 h ILE 121 Cb 0.94 0.63 -0.00 0.00 -3.03 0.00 0.00 36.82 35.35 1xn6 h ILE 121 CO -0.01 0.00 -0.14 0.08 -0.68 0.00 0.00 178.15 177.40 1xn6 h ARG 122 N -0.08 0.00 -0.16 2.37 0.11 -0.45 0.73 114.38 116.90 1xn6 h ARG 122 Ca 0.13 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.00 1xn6 h ARG 122 Cb 0.28 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.37 1xn6 h ARG 122 CO -0.31 0.14 -0.76 -0.44 0.10 0.00 0.00 179.97 178.70 1xn6 h ASP 123 N 0.00 0.92 -0.01 0.08 3.32 -0.23 0.14 116.42 120.63 1xn6 h ASP 123 Ca -0.00 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 1xn6 h ASP 123 Cb 0.25 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1xn6 h ASP 123 CO 0.02 1.39 -0.12 0.03 -1.72 0.00 0.00 179.24 178.84 1xn6 h ARG 124 N 0.54 0.10 -0.54 3.56 3.08 0.13 -2.59 114.38 118.65 1xn6 h ARG 124 Ca -0.05 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1xn6 h ARG 124 Cb 1.38 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 1xn6 h ARG 124 CO 0.16 0.80 0.23 1.98 -1.07 0.00 0.00 179.97 182.06 1xn6 h MET 125 N -0.56 0.80 0.03 0.04 4.05 0.38 -2.31 114.93 117.34 1xn6 h MET 125 Ca -0.01 -0.14 0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1xn6 h MET 125 Cb 0.83 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.47 1xn6 h MET 125 CO 0.02 0.68 -0.15 1.03 0.23 0.00 0.00 176.91 178.73 1xn6 h SER 126 N 0.73 -0.43 0.11 1.39 0.87 -0.80 0.66 113.55 116.07 1xn6 h SER 126 Ca 0.18 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1xn6 h SER 126 Cb 0.17 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 1xn6 h SER 126 CO -0.02 -0.21 -0.52 1.23 -0.53 0.00 0.00 176.83 176.79 1xn6 h GLY 127 N -0.26 -1.17 1.33 5.77 0.00 -1.30 0.70 103.07 108.14 1xn6 h GLY 127 Ca 0.04 0.65 0.03 0.00 0.00 0.00 0.00 47.33 48.05 1xn6 h GLY 127 CO -0.13 -0.27 0.39 -1.33 0.00 0.00 0.00 176.54 175.20 1xn6 h GLY 128 N -0.73 0.78 0.98 4.60 0.00 -1.26 -0.75 103.07 106.69 1xn6 h GLY 128 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1xn6 h GLY 128 CO -0.28 0.24 0.18 1.49 0.00 0.00 0.00 176.54 178.17 1xn6 h TRP 129 N 0.70 0.85 0.21 5.60 -0.00 0.15 1.25 115.95 124.71 1xn6 h TRP 129 Ca 0.23 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.89 59.04 1xn6 h TRP 129 Cb 0.06 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 28.96 1xn6 h TRP 129 CO -0.00 0.72 -0.17 0.28 -0.00 0.00 0.00 178.44 179.27 1xn6 h VAL 130 N 0.73 0.63 0.07 1.49 2.07 0.18 1.41 116.25 122.83 1xn6 h VAL 130 Ca 0.17 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1xn6 h VAL 130 Cb 0.26 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1xn6 h VAL 130 CO -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.55 1xn6 h ALA 131 N 0.36 -0.10 -0.47 1.67 0.00 -1.03 0.41 119.26 120.11 1xn6 h ALA 131 Ca -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1xn6 h ALA 131 Cb 0.35 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1xn6 h ALA 131 CO -0.01 -0.47 0.11 0.82 0.00 0.00 0.00 179.25 179.70 1xn6 h ILE 132 N -0.27 0.76 0.00 0.00 2.04 0.18 1.38 117.51 121.60 1xn6 h ILE 132 Ca -0.01 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1xn6 h ILE 132 Cb 0.24 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1xn6 h ILE 132 CO 0.02 0.05 -0.07 0.58 0.00 0.00 0.00 178.15 178.72 1xn6 h VAL 133 N 0.25 0.99 -0.61 1.67 2.07 0.21 0.94 116.25 121.78 1xn6 h VAL 133 Ca 0.23 -0.25 -0.41 0.00 0.82 0.00 0.00 66.70 67.09 1xn6 h VAL 133 Cb 0.29 1.14 -0.27 0.00 -1.52 0.00 0.00 31.29 30.93 1xn6 h VAL 133 CO -0.29 0.07 -0.25 0.59 0.02 0.00 0.00 177.57 177.71 1xn6 n ASN 134 N -4.37 4.34 0.08 0.57 3.02 0.10 -3.25 115.26 115.75 1xn6 n ASN 134 Ca -0.03 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.74 1xn6 n ASN 134 Cb 0.15 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.92 0.00 0.00 3.52 -0.58 0.43 -4.88 120.64 118.21 1xn6 n GLU 135 Ca 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 1xn6 n GLU 135 Cb 0.92 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.79 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 -2.99 0.00 -0.30 3.49 5.02 0.20 -3.16 118.16 120.42 1xn6 n LYS 136 Ca 0.00 0.26 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 1xn6 n LYS 136 Cb 0.00 -0.72 0.24 0.00 -0.02 0.00 0.00 35.03 34.53 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 -1.82 -0.12 0.15 -0.35 7.94 -1.12 0.21 117.00 121.88 1xn6 n LEU 137 Ca 0.00 1.45 -0.14 0.00 -1.11 0.00 0.00 56.01 56.21 1xn6 n LEU 137 Cb 0.00 -0.52 -0.07 0.00 0.53 0.00 0.00 43.42 43.36 1xn6 n LEU 137 CO 0.00 -1.46 0.61 0.50 -1.11 0.00 0.00 177.39 175.93 1xn6 h LYS 138 N 0.00 -0.64 -0.02 1.96 3.64 -1.73 0.91 116.57 120.70 1xn6 h LYS 138 Ca 0.51 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.88 1xn6 h LYS 138 Cb 1.02 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1xn6 h LYS 138 CO -0.81 -0.42 -0.20 0.87 -2.27 0.00 0.00 179.45 176.62 1xn6 h LYS 139 N -0.66 0.03 0.44 1.90 1.57 0.15 0.49 116.57 120.48 1xn6 h LYS 139 Ca 0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1xn6 h LYS 139 Cb 0.66 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1xn6 h LYS 139 CO -0.17 0.23 -0.21 0.28 -0.57 0.00 0.00 179.45 179.01 1xn6 h VAL 140 N 0.03 0.53 0.50 0.50 2.07 0.41 1.17 116.25 121.46 1xn6 h VAL 140 Ca 0.00 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1xn6 h VAL 140 Cb 0.37 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xn6 h VAL 140 CO 0.03 0.06 -0.24 0.58 0.02 0.00 0.00 177.57 178.02 1xn6 h VAL 141 N -0.80 0.39 -0.52 2.57 2.07 0.11 -2.87 116.25 117.18 1xn6 h VAL 141 Ca -0.06 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 67.17 1xn6 h VAL 141 Cb 0.55 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1xn6 h VAL 141 CO 0.10 0.05 0.36 -0.08 0.02 0.00 0.00 177.57 178.02 1xn6 h GLU 142 N -0.95 0.22 0.00 1.57 4.81 -0.09 -3.49 114.58 116.65 1xn6 h GLU 142 Ca -0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xn6 h GLU 142 Cb 0.60 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1xn6 h GLU 142 CO 0.11 0.15 0.00 0.41 -0.73 0.00 0.00 179.01 178.95