#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 -4.36 -1.51 0.03 1.02 -1.26 -5.00 120.64 109.56 1xn6 n GLU 2 Ca 0.00 3.21 -0.30 0.00 -0.02 0.00 0.00 57.16 60.05 1xn6 n GLU 2 Cb 0.00 -3.47 0.20 0.00 -0.02 0.00 0.00 31.44 28.14 1xn6 n GLU 2 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1xn6 s GLN 3 N -1.09 -0.01 0.29 3.49 0.00 -1.26 -5.07 119.66 116.01 1xn6 s GLN 3 Ca 0.00 -0.13 0.06 0.00 -0.00 0.00 0.00 55.36 55.30 1xn6 s GLN 3 Cb 0.00 -1.74 -0.02 0.00 0.00 0.00 0.00 33.01 31.24 1xn6 s GLN 3 CO 0.00 -2.90 0.35 1.14 0.00 0.00 0.00 175.29 173.88 1xn6 s GLN 4 N -5.57 3.10 0.46 9.60 0.00 -1.26 -5.13 119.66 120.86 1xn6 s GLN 4 Ca 0.71 -1.00 0.04 0.00 -0.00 0.00 0.00 55.36 55.11 1xn6 s GLN 4 Cb -0.08 -2.72 -0.04 0.00 0.00 0.00 0.00 33.01 30.16 1xn6 s GLN 4 CO 0.54 0.25 0.03 -0.80 0.00 0.00 0.00 175.29 175.31 1xn6 s ASN 5 N -4.01 4.07 0.39 12.60 0.01 -1.26 -5.07 114.94 121.66 1xn6 s ASN 5 Ca 0.38 -1.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.06 1xn6 s ASN 5 Cb -0.08 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.63 1xn6 s ASN 5 CO 0.28 -0.67 0.00 0.41 -1.51 0.00 0.00 177.10 175.61 1xn6 n THR 6 N -1.16 0.00 -2.05 1.60 -1.04 -1.26 -4.77 114.28 105.60 1xn6 n THR 6 Ca -0.11 0.20 -0.34 0.00 -2.04 0.00 0.00 64.05 61.76 1xn6 n THR 6 Cb 0.67 -0.68 0.02 0.00 -1.82 0.00 0.00 70.33 68.52 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 -7.04 3.61 0.04 -4.42 1.43 -0.69 -4.85 118.68 106.75 1xn6 s LEU 7 Ca 0.00 2.14 -0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1xn6 s LEU 7 Cb 0.00 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 1xn6 s LEU 7 CO 0.00 -1.42 0.19 0.20 0.23 0.00 0.00 176.35 175.55 1xn6 s ASN 8 N -2.04 6.30 -0.28 2.29 0.01 -1.26 -5.01 114.94 114.95 1xn6 s ASN 8 Ca 0.71 0.27 -0.27 0.00 -0.71 0.00 0.00 52.86 52.86 1xn6 s ASN 8 Cb -0.23 -1.93 0.01 0.00 0.41 0.00 0.00 41.25 39.50 1xn6 s ASN 8 CO 0.33 0.19 0.95 -1.81 -1.51 0.00 0.00 177.10 175.25 1xn6 s ASP 9 N -2.36 6.90 -0.84 -1.22 1.01 -1.26 -4.91 116.67 113.98 1xn6 s ASP 9 Ca 0.33 1.05 -0.22 0.00 0.71 0.00 0.00 52.55 54.42 1xn6 s ASP 9 Cb -0.13 -2.49 -0.19 0.00 1.01 0.00 0.00 42.92 41.12 1xn6 s ASP 9 CO 0.25 -0.69 2.35 -0.38 0.21 0.00 0.00 175.17 176.91 1xn6 n ILE 10 N 5.53 -0.00 -3.63 0.77 5.41 -1.09 -4.77 119.36 121.57 1xn6 n ILE 10 Ca 0.09 -0.50 -0.36 0.00 1.00 0.00 0.00 62.75 62.98 1xn6 n ILE 10 Cb 0.47 -1.47 -0.08 0.00 -0.71 0.00 0.00 39.64 37.85 1xn6 n ILE 10 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xn6 s LYS 11 N 8.41 4.18 -0.53 0.38 2.20 -1.24 -2.29 119.74 130.86 1xn6 s LYS 11 Ca 1.04 -0.10 0.04 0.00 -0.36 0.00 0.00 55.97 56.58 1xn6 s LYS 11 Cb -0.33 -3.46 0.14 0.00 -1.51 0.00 0.00 37.83 32.67 1xn6 s LYS 11 CO 0.22 0.20 0.31 -0.65 -0.36 0.00 0.00 175.35 175.07 1xn6 s GLN 12 N 0.64 1.77 -0.20 4.03 -0.21 0.15 -4.92 119.66 120.91 1xn6 s GLN 12 Ca 0.11 -2.53 -0.25 0.00 0.02 0.00 0.00 55.36 52.71 1xn6 s GLN 12 Cb -0.12 -2.86 -0.01 0.00 1.00 0.00 0.00 33.01 31.02 1xn6 s GLN 12 CO 0.02 -1.19 0.84 0.99 -2.12 0.00 0.00 175.29 173.83 1xn6 s THR 13 N -0.30 4.86 0.03 -0.19 2.01 -1.25 -2.23 115.64 118.57 1xn6 s THR 13 Ca 0.20 1.62 -0.13 0.00 0.31 0.00 0.00 61.69 63.69 1xn6 s THR 13 Cb -0.18 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.21 1xn6 s THR 13 CO -0.05 -0.02 0.29 -0.51 -0.69 0.00 0.00 174.62 173.64 1xn6 s ILE 14 N 2.45 0.08 -0.20 1.82 2.07 0.14 -5.00 121.20 122.57 1xn6 s ILE 14 Ca 0.37 -0.66 -0.03 0.00 -1.41 0.00 0.00 60.65 58.92 1xn6 s ILE 14 Cb -0.16 -0.87 -0.01 0.00 0.13 0.00 0.00 42.46 41.55 1xn6 s ILE 14 CO 0.10 -0.37 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.00 1xn6 s VAL 15 N -2.31 3.19 -0.06 4.00 1.01 -1.26 0.66 120.40 125.63 1xn6 s VAL 15 Ca -0.07 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1xn6 s VAL 15 Cb -0.02 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1xn6 s VAL 15 CO -0.02 0.45 0.01 -0.36 0.00 0.00 0.00 175.10 175.19 1xn6 s PHE 16 N 1.25 3.15 -1.00 5.22 0.08 -0.99 -4.97 117.98 120.72 1xn6 s PHE 16 Ca 0.03 0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.15 1xn6 s PHE 16 Cb -0.14 -1.75 -0.07 0.00 -0.57 0.00 0.00 43.02 40.48 1xn6 s PHE 16 CO -0.03 0.48 2.18 -1.71 -0.10 0.00 0.00 175.22 176.04 1xn6 n ASN 17 N 1.84 4.80 -1.35 1.36 2.85 -1.26 -2.53 115.26 120.97 1xn6 n ASN 17 Ca -0.17 -2.46 -0.02 0.00 -0.11 0.00 0.00 54.58 51.82 1xn6 n ASN 17 Cb 0.53 -1.19 -0.00 0.00 1.24 0.00 0.00 39.78 40.36 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 4.94 -0.10 -2.64 5.20 0.00 0.23 -4.86 120.51 123.29 1xn6 n ALA 18 Ca 0.50 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 53.44 1xn6 n ALA 18 Cb 0.22 0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.38 4.78 0.23 0.00 0.01 -1.26 0.17 113.70 116.25 1xn6 s SER 19 Ca 0.05 -0.61 -0.07 0.00 1.31 0.00 0.00 55.95 56.62 1xn6 s SER 19 Cb -0.00 -0.91 0.24 0.00 0.21 0.00 0.00 66.02 65.55 1xn6 s SER 19 CO 0.03 -0.10 1.89 -0.29 0.41 0.00 0.00 173.24 175.18 1xn6 h ILE 20 N 1.70 1.18 -0.02 1.44 2.10 -1.87 0.65 117.51 122.69 1xn6 h ILE 20 Ca -0.45 -0.39 -0.06 0.00 1.08 0.00 0.00 64.86 65.04 1xn6 h ILE 20 Cb 1.25 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1xn6 h ILE 20 CO 0.61 0.21 -0.26 1.56 -1.08 0.00 0.00 178.15 179.19 1xn6 h GLN 21 N 1.14 0.03 0.05 2.19 1.08 -1.95 0.22 115.11 117.87 1xn6 h GLN 21 Ca 0.34 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1xn6 h GLN 21 Cb -0.06 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1xn6 h GLN 21 CO -0.10 0.30 -0.02 -0.22 -0.95 0.00 0.00 178.83 177.84 1xn6 h LYS 22 N 0.03 -0.06 -0.79 1.46 3.64 -1.47 -2.73 116.57 116.65 1xn6 h LYS 22 Ca 0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1xn6 h LYS 22 Cb 0.49 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 1xn6 h LYS 22 CO 0.04 0.46 0.52 0.28 -2.27 0.00 0.00 179.45 178.47 1xn6 h VAL 23 N -0.96 0.92 -0.31 2.00 2.07 0.30 0.71 116.25 120.98 1xn6 h VAL 23 Ca -0.01 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1xn6 h VAL 23 Cb 0.55 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1xn6 h VAL 23 CO 0.01 0.12 0.18 -0.25 0.02 0.00 0.00 177.57 177.66 1xn6 h TRP 24 N 0.68 0.42 -0.42 1.57 2.91 -0.62 -0.90 115.95 119.60 1xn6 h TRP 24 Ca 0.37 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.48 1xn6 h TRP 24 Cb 0.52 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.01 1xn6 h TRP 24 CO -0.00 0.32 0.29 1.03 -1.03 0.00 0.00 178.44 179.04 1xn6 h SER 25 N 0.40 0.12 0.69 2.65 0.87 -0.56 1.06 113.55 118.77 1xn6 h SER 25 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1xn6 h SER 25 Cb 0.02 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1xn6 h SER 25 CO -0.02 0.07 0.00 0.52 -0.53 0.00 0.00 176.83 176.87 1xn6 n VAL 26 N -4.45 0.17 -2.64 2.23 0.31 -0.39 -3.18 118.33 110.38 1xn6 n VAL 26 Ca 0.06 0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.36 1xn6 n VAL 26 Cb 0.40 -0.60 0.04 0.00 -0.91 0.00 0.00 33.84 32.77 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 -1.39 1.48 -2.20 2.52 0.24 0.35 -4.04 118.33 115.29 1xn6 n VAL 27 Ca 0.10 -3.30 -0.03 0.00 -2.04 0.00 0.00 64.34 59.06 1xn6 n VAL 27 Cb 0.26 0.58 0.01 0.00 -1.47 0.00 0.00 33.84 33.22 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 -0.47 -0.85 -4.16 -1.34 3.41 -0.22 -4.93 113.62 105.06 1xn6 n SER 28 Ca 0.16 -1.61 -0.11 0.00 -0.26 0.00 0.00 58.87 57.05 1xn6 n SER 28 Cb 0.82 0.33 -0.09 0.00 -0.26 0.00 0.00 64.21 65.01 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 0.04 0.03 -0.15 6.66 -4.23 -1.25 -4.92 115.64 111.83 1xn6 s THR 29 Ca 0.03 -1.90 -0.24 0.00 -1.18 0.00 0.00 61.69 58.40 1xn6 s THR 29 Cb 0.14 -2.30 -0.24 0.00 1.34 0.00 0.00 72.50 71.44 1xn6 s THR 29 CO -0.04 -0.16 0.56 0.00 -0.54 0.00 0.00 174.62 174.44 1xn6 h ALA 30 N 2.66 0.11 0.20 3.99 0.00 -1.92 -3.19 119.26 121.11 1xn6 h ALA 30 Ca -0.35 -0.83 -0.31 0.00 0.00 0.00 0.00 54.91 53.42 1xn6 h ALA 30 Cb 1.23 0.32 0.02 0.00 0.00 0.00 0.00 17.79 19.37 1xn6 h ALA 30 CO 0.53 0.37 -1.40 0.93 0.00 0.00 0.00 179.25 179.69 1xn6 h GLU 31 N -0.86 0.43 -0.12 0.00 5.08 -1.97 -2.76 114.58 114.39 1xn6 h GLU 31 Ca -0.17 -0.74 0.04 0.00 -1.00 0.00 0.00 59.36 57.49 1xn6 h GLU 31 Cb 1.25 0.28 -0.05 0.00 0.50 0.00 0.00 28.75 30.72 1xn6 h GLU 31 CO -0.05 1.35 -0.20 0.78 -1.00 0.00 0.00 179.01 179.89 1xn6 h GLY 32 N 0.75 -0.18 0.79 -3.84 0.00 -1.87 0.40 103.07 99.11 1xn6 h GLY 32 Ca -0.21 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1xn6 h GLY 32 CO 0.25 -0.18 -0.07 -2.22 0.00 0.00 0.00 176.54 174.31 1xn6 h ILE 33 N -0.26 0.95 -0.04 2.60 2.04 -1.67 -1.73 117.51 119.41 1xn6 h ILE 33 Ca 0.10 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1xn6 h ILE 33 Cb 0.40 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1xn6 h ILE 33 CO -0.27 0.11 0.31 0.00 0.00 0.00 0.00 178.15 178.29 1xn6 h ALA 34 N 0.40 1.38 0.00 1.87 0.00 -1.16 1.47 119.26 123.23 1xn6 h ALA 34 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xn6 h ALA 34 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xn6 h ALA 34 CO 0.03 -0.33 0.00 0.45 0.00 0.00 0.00 179.25 179.41 1xn6 n SER 35 N -3.01 0.00 -2.70 0.00 2.88 0.14 -3.97 113.62 106.96 1xn6 n SER 35 Ca -0.01 0.18 -0.06 0.00 -1.33 0.00 0.00 58.87 57.64 1xn6 n SER 35 Cb 0.37 -0.37 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.37 -1.77 0.00 0.66 4.27 0.49 -4.61 117.44 115.12 1xn6 n TRP 36 Ca 0.08 -1.31 0.00 0.00 -3.89 0.00 0.00 57.50 52.38 1xn6 n TRP 36 Cb 0.20 1.36 0.00 0.00 -1.36 0.00 0.00 31.31 31.52 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 1.01 -0.83 0.00 -2.67 -0.00 -0.43 -4.87 117.46 109.66 1xn6 n PHE 37 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1xn6 n PHE 37 Cb 0.70 0.21 0.00 0.00 -0.00 0.00 0.00 39.48 40.39 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 -1.97 0.00 -2.41 -4.13 2.81 -1.25 -5.00 117.12 105.16 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 4.25 0.24 0.03 0.04 -1.26 -3.83 135.00 132.47 1xn6 s PRO 39 Ca 0.00 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 1xn6 s PRO 39 Cb 0.00 -3.73 0.07 0.00 0.04 0.00 0.00 34.50 30.88 1xn6 s PRO 39 CO 0.00 -0.67 0.95 0.54 0.04 0.00 0.00 177.00 177.87 1xn6 s ASN 40 N 1.93 -0.02 -0.67 6.66 4.22 -1.26 -1.90 114.94 123.90 1xn6 s ASN 40 Ca 0.56 -0.79 0.04 0.00 -2.14 0.00 0.00 52.86 50.53 1xn6 s ASN 40 Cb -0.23 0.61 0.30 0.00 1.28 0.00 0.00 41.25 43.21 1xn6 s ASN 40 CO 0.16 -1.19 0.98 -0.67 -2.04 0.00 0.00 177.10 174.34 1xn6 n ASP 41 N -1.20 4.57 -3.56 3.54 2.03 -1.24 -4.87 116.55 115.82 1xn6 n ASP 41 Ca -0.05 -3.58 -0.32 0.00 0.52 0.00 0.00 54.79 51.36 1xn6 n ASP 41 Cb 0.60 -0.70 0.03 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.29 -3.89 -3.64 -0.67 7.35 -1.26 -4.85 117.46 110.79 1xn6 n PHE 42 Ca 0.32 0.11 -0.12 0.00 -0.76 0.00 0.00 57.45 57.00 1xn6 n PHE 42 Cb 0.38 -1.32 -0.12 0.00 0.35 0.00 0.00 39.48 38.77 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 -1.74 -0.49 -1.27 -2.13 0.11 -1.26 -4.81 120.40 108.81 1xn6 s VAL 43 Ca 0.40 0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.51 1xn6 s VAL 43 Cb -0.25 -0.54 0.12 0.00 -1.53 0.00 0.00 36.38 34.18 1xn6 s VAL 43 CO 0.67 0.08 1.63 -0.11 -3.33 0.00 0.00 175.10 174.04 1xn6 n LEU 44 N 5.36 5.26 -3.69 2.54 7.94 -1.26 -4.88 117.00 128.28 1xn6 n LEU 44 Ca -0.07 -4.22 -0.13 0.00 -1.11 0.00 0.00 56.01 50.48 1xn6 n LEU 44 Cb 0.50 -1.67 -0.09 0.00 0.53 0.00 0.00 43.42 42.69 1xn6 n LEU 44 CO 0.02 0.54 0.23 -1.61 -1.11 0.00 0.00 177.39 175.46 1xn6 s GLU 45 N 2.71 0.63 0.08 1.96 2.02 -1.26 -5.10 118.70 119.74 1xn6 s GLU 45 Ca 0.48 0.78 -0.30 0.00 0.02 0.00 0.00 54.97 55.94 1xn6 s GLU 45 Cb 0.02 0.28 -0.06 0.00 0.10 0.00 0.00 34.13 34.47 1xn6 s GLU 45 CO 0.03 -0.08 1.19 0.08 0.02 0.00 0.00 175.26 176.49 1xn6 s VAL 46 N 0.42 3.98 -0.00 2.63 1.01 -1.26 -2.39 120.40 124.78 1xn6 s VAL 46 Ca -0.01 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1xn6 s VAL 46 Cb -0.04 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1xn6 s VAL 46 CO -0.01 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1xn6 n GLY 47 N 3.00 0.32 3.60 4.51 0.00 -0.80 -4.97 105.19 110.85 1xn6 n GLY 47 Ca 0.08 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.63 3.15 -0.13 1.61 5.04 -1.01 -4.86 115.29 117.47 1xn6 s HIS 48 Ca 0.00 0.65 -0.05 0.00 -1.54 0.00 0.00 55.06 54.12 1xn6 s HIS 48 Cb 0.00 -3.32 -0.04 0.00 0.04 0.00 0.00 32.58 29.27 1xn6 s HIS 48 CO 0.00 -0.66 0.06 -1.83 -2.34 0.00 0.00 174.74 169.97 1xn6 s GLU 49 N 3.02 3.43 0.10 2.88 -1.05 -1.26 -2.73 118.70 123.09 1xn6 s GLU 49 Ca 0.31 -0.31 0.01 0.00 -0.15 0.00 0.00 54.97 54.84 1xn6 s GLU 49 Cb -0.14 -3.04 -0.01 0.00 -0.44 0.00 0.00 34.13 30.51 1xn6 s GLU 49 CO 0.15 0.59 0.05 1.97 0.95 0.00 0.00 175.26 178.97 1xn6 n PHE 50 N 2.53 -0.05 -4.81 4.83 -1.74 -0.96 -5.02 117.46 112.24 1xn6 n PHE 50 Ca -0.18 -0.72 -0.32 0.00 -0.56 0.00 0.00 57.45 55.67 1xn6 n PHE 50 Cb 0.54 0.03 -0.13 0.00 1.52 0.00 0.00 39.48 41.43 1xn6 n PHE 50 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 1xn6 s HIS 51 N -2.10 2.64 -0.01 2.97 3.76 -1.26 -3.27 115.29 118.02 1xn6 s HIS 51 Ca 0.07 -0.21 -0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1xn6 s HIS 51 Cb 0.00 -1.56 0.02 0.00 1.11 0.00 0.00 32.58 32.15 1xn6 s HIS 51 CO 0.05 0.21 0.02 0.14 -0.85 0.00 0.00 174.74 174.30 1xn6 s VAL 52 N -0.81 -0.03 -0.54 -0.90 -7.23 -1.26 -3.64 120.40 105.99 1xn6 s VAL 52 Ca 0.13 0.12 -0.28 0.00 -1.81 0.00 0.00 61.98 60.14 1xn6 s VAL 52 Cb -0.11 -0.05 0.00 0.00 0.56 0.00 0.00 36.38 36.79 1xn6 s VAL 52 CO 0.03 0.05 1.57 -1.10 -0.31 0.00 0.00 175.10 175.33 1xn6 s GLN 53 N 0.57 3.15 0.42 4.82 -0.21 -0.80 -3.36 119.66 124.26 1xn6 s GLN 53 Ca -0.05 0.62 0.03 0.00 0.02 0.00 0.00 55.36 55.98 1xn6 s GLN 53 Cb -0.07 -4.19 0.00 0.00 1.00 0.00 0.00 33.01 29.75 1xn6 s GLN 53 CO -0.02 -2.11 0.61 -1.12 -2.12 0.00 0.00 175.29 170.53 1xn6 s SER 54 N 5.47 5.80 0.00 5.90 0.01 -1.15 -4.52 113.70 125.21 1xn6 s SER 54 Ca 0.59 0.03 -0.20 0.00 1.31 0.00 0.00 55.95 57.68 1xn6 s SER 54 Cb -0.13 -1.28 -0.22 0.00 0.21 0.00 0.00 66.02 64.61 1xn6 s SER 54 CO 0.25 -0.67 1.13 1.55 0.41 0.00 0.00 173.24 175.91 1xn6 h PRO 55 N 0.55 0.38 -1.94 12.44 0.13 -1.98 -3.29 132.00 138.29 1xn6 h PRO 55 Ca -0.45 -0.37 -0.42 0.00 -0.87 0.00 0.00 66.00 63.89 1xn6 h PRO 55 Cb 1.26 0.10 -0.15 0.00 0.13 0.00 0.00 31.00 32.33 1xn6 h PRO 55 CO 0.54 1.03 0.27 0.34 -0.23 0.00 0.00 178.00 179.96 1xn6 n PHE 56 N -4.30 1.33 -1.55 1.56 7.35 -1.26 -4.96 117.46 115.63 1xn6 n PHE 56 Ca -0.09 -1.87 0.00 0.00 -0.76 0.00 0.00 57.45 54.73 1xn6 n PHE 56 Cb 0.60 -1.35 0.00 0.00 0.35 0.00 0.00 39.48 39.09 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xn6 n GLY 57 N 1.06 -2.19 3.66 7.13 0.00 -1.24 -4.86 105.19 108.75 1xn6 n GLY 57 Ca 0.45 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.21 4.24 -0.32 1.61 0.04 -1.26 -2.96 135.00 136.14 1xn6 s PRO 58 Ca 0.00 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 1xn6 s PRO 58 Cb 0.00 -3.75 0.11 0.00 0.04 0.00 0.00 34.50 30.90 1xn6 s PRO 58 CO 0.00 -0.69 0.16 -1.12 0.04 0.00 0.00 177.00 175.38 1xn6 s SER 59 N 1.98 3.48 1.06 6.66 0.01 -1.21 -4.88 113.70 120.80 1xn6 s SER 59 Ca 0.55 -1.73 -0.17 0.00 1.31 0.00 0.00 55.95 55.92 1xn6 s SER 59 Cb -0.22 -0.52 0.23 0.00 0.21 0.00 0.00 66.02 65.71 1xn6 s SER 59 CO 0.16 -0.38 1.21 -2.16 0.41 0.00 0.00 173.24 172.47 1xn6 s PRO 60 N 1.56 -0.09 0.06 12.44 0.04 -1.26 -4.28 135.00 143.48 1xn6 s PRO 60 Ca 0.12 -0.18 -0.12 0.00 0.04 0.00 0.00 61.00 60.86 1xn6 s PRO 60 Cb -0.19 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1xn6 s PRO 60 CO -0.21 -2.94 0.28 0.00 0.04 0.00 0.00 177.00 174.17 1xn6 s LYS 62 N -2.98 1.12 0.22 0.00 2.20 0.04 -2.26 119.74 118.08 1xn6 s LYS 62 Ca -0.02 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 1xn6 s LYS 62 Cb 0.01 -1.02 -0.10 0.00 -1.51 0.00 0.00 37.83 35.21 1xn6 s LYS 62 CO -0.06 -0.01 1.41 0.08 -0.36 0.00 0.00 175.35 176.42 1xn6 s VAL 63 N 0.68 2.82 -0.24 4.02 1.01 -1.10 -0.09 120.40 127.50 1xn6 s VAL 63 Ca -0.11 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 62.39 1xn6 s VAL 63 Cb -0.14 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.70 1xn6 s VAL 63 CO 0.01 0.10 -0.27 0.18 0.00 0.00 0.00 175.10 175.13 1xn6 n LEU 64 N 2.59 1.93 -4.09 3.92 4.77 0.06 -1.90 117.00 124.28 1xn6 n LEU 64 Ca 0.07 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.27 1xn6 n LEU 64 Cb 0.41 -0.83 -0.12 0.00 -2.33 0.00 0.00 43.42 40.56 1xn6 n LEU 64 CO 0.60 0.30 -0.42 -0.70 -1.33 0.00 0.00 177.39 175.84 1xn6 s GLU 65 N -2.56 0.62 -0.05 3.23 2.56 -1.06 -4.63 118.70 116.80 1xn6 s GLU 65 Ca -0.34 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 53.81 1xn6 s GLU 65 Cb 0.11 -0.44 0.02 0.00 2.00 0.00 0.00 34.13 35.82 1xn6 s GLU 65 CO 0.48 0.09 -0.03 0.42 -0.56 0.00 0.00 175.26 175.65 1xn6 s ILE 66 N -1.38 0.47 -0.48 -3.70 1.01 -1.26 -0.60 121.20 115.25 1xn6 s ILE 66 Ca -0.07 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1xn6 s ILE 66 Cb -0.10 -0.53 0.18 0.00 0.01 0.00 0.00 42.46 42.03 1xn6 s ILE 66 CO 0.01 0.22 0.67 -1.81 0.00 0.00 0.00 174.94 174.03 1xn6 s ASP 67 N 1.14 -1.18 0.20 3.58 1.01 0.18 -4.98 116.67 116.61 1xn6 s ASP 67 Ca -0.08 -1.59 -0.18 0.00 0.71 0.00 0.00 52.55 51.41 1xn6 s ASP 67 Cb -0.14 1.71 0.17 0.00 1.01 0.00 0.00 42.92 45.68 1xn6 s ASP 67 CO -0.01 -0.09 1.60 -0.08 0.21 0.00 0.00 175.17 176.79 1xn6 h GLU 68 N 5.60 -0.10 -2.67 8.23 4.81 -1.99 1.47 114.58 129.93 1xn6 h GLU 68 Ca 0.07 0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 59.01 1xn6 h GLU 68 Cb 1.11 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1xn6 h GLU 68 CO 0.06 -0.07 1.23 -0.35 -0.73 0.00 0.00 179.01 179.15 1xn6 n PRO 69 N -5.44 2.04 0.00 0.92 -0.04 -1.26 -3.98 135.00 127.24 1xn6 n PRO 69 Ca 0.05 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1xn6 n PRO 69 Cb 0.35 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1xn6 n PRO 69 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xn6 n ASN 70 N 3.18 0.00 0.00 3.54 5.03 -0.56 -5.14 115.26 121.31 1xn6 n ASN 70 Ca 0.44 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.89 1xn6 n ASN 70 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 1xn6 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xn6 n HIS 71 N 0.00 0.00 -4.18 3.10 1.44 0.49 -2.30 115.22 113.77 1xn6 n HIS 71 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1xn6 n HIS 71 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 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 1.10 0.01 2.39 2.34 -1.25 -0.65 118.68 122.62 1xn6 s LEU 72 Ca 0.00 -1.36 -0.07 0.00 0.06 0.00 0.00 54.13 52.76 1xn6 s LEU 72 Cb 0.00 0.54 -0.00 0.00 -0.56 0.00 0.00 46.19 46.17 1xn6 s LEU 72 CO 0.00 -0.89 0.13 -0.94 -1.06 0.00 0.00 176.35 173.59 1xn6 s SER 73 N -3.16 0.05 -0.16 1.48 1.04 0.23 -3.55 113.70 109.63 1xn6 s SER 73 Ca 0.37 -0.26 -0.17 0.00 0.48 0.00 0.00 55.95 56.37 1xn6 s SER 73 Cb 0.06 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.43 1xn6 s SER 73 CO 0.13 -0.39 0.48 0.72 0.98 0.00 0.00 173.24 175.15 1xn6 s PHE 74 N -1.57 -0.51 0.04 5.02 -0.71 -1.19 -0.76 117.98 118.30 1xn6 s PHE 74 Ca -0.13 1.21 -0.11 0.00 -1.04 0.00 0.00 56.93 56.85 1xn6 s PHE 74 Cb -0.07 0.19 -0.06 0.00 -1.21 0.00 0.00 43.02 41.87 1xn6 s PHE 74 CO 0.01 -0.28 0.38 -1.54 -1.34 0.00 0.00 175.22 172.45 1xn6 s SER 75 N 0.05 6.68 -0.35 1.98 1.04 0.88 -2.86 113.70 121.13 1xn6 s SER 75 Ca -0.02 0.82 -0.13 0.00 0.48 0.00 0.00 55.95 57.11 1xn6 s SER 75 Cb -0.03 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.88 1xn6 s SER 75 CO 0.01 0.24 0.24 0.86 0.98 0.00 0.00 173.24 175.57 1xn6 s TRP 76 N -1.27 3.22 1.02 5.02 -0.11 0.21 -0.78 118.94 126.26 1xn6 s TRP 76 Ca 0.29 -0.32 -0.17 0.00 1.22 0.00 0.00 56.10 57.12 1xn6 s TRP 76 Cb -0.15 -2.47 0.24 0.00 -1.50 0.00 0.00 33.47 29.59 1xn6 s TRP 76 CO 0.16 -0.40 1.15 -0.25 -4.62 0.00 0.00 176.95 172.98 1xn6 n ASP 77 N 5.09 -0.84 -4.21 5.86 8.00 0.15 -2.24 116.55 128.36 1xn6 n ASP 77 Ca -0.13 -1.31 -0.33 0.00 0.71 0.00 0.00 54.79 53.73 1xn6 n ASP 77 Cb 0.49 -0.95 -0.08 0.00 -0.02 0.00 0.00 41.12 40.56 1xn6 n ASP 77 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xn6 n THR 78 N -4.16 -0.52 0.00 -3.53 -1.04 -1.26 -4.31 114.28 99.46 1xn6 n THR 78 Ca 0.15 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1xn6 n THR 78 Cb 0.55 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 1xn6 n THR 78 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1xn6 n ASP 79 N -2.42 0.00 0.00 8.00 8.00 -1.26 -4.88 116.55 123.99 1xn6 n ASP 79 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1xn6 n ASP 79 Cb 0.54 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 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 -1.37 0.90 3.34 0.44 0.00 -0.95 -4.46 105.19 103.09 1xn6 n GLY 80 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 1.65 -0.02 1.61 0.51 -1.22 -4.57 118.94 115.37 1xn6 s TRP 81 Ca 0.00 -0.72 0.01 0.00 -2.12 0.00 0.00 56.10 53.27 1xn6 s TRP 81 Cb 0.00 -0.87 0.02 0.00 -0.81 0.00 0.00 33.47 31.80 1xn6 s TRP 81 CO 0.00 0.19 -0.03 0.08 -0.51 0.00 0.00 176.95 176.68 1xn6 s VAL 82 N -3.16 0.35 -0.06 4.03 1.01 -0.34 -0.62 120.40 121.61 1xn6 s VAL 82 Ca 0.24 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1xn6 s VAL 82 Cb 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.05 1xn6 s VAL 82 CO 0.07 0.15 -0.11 -0.69 0.00 0.00 0.00 175.10 174.53 1xn6 s VAL 83 N 0.60 1.00 -0.01 2.92 1.01 -1.13 -1.35 120.40 123.44 1xn6 s VAL 83 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1xn6 s VAL 83 Cb -0.10 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1xn6 s VAL 83 CO -0.01 0.33 0.01 -0.94 0.00 0.00 0.00 175.10 174.49 1xn6 s SER 84 N 0.70 0.04 -0.35 3.32 1.04 -0.20 -3.18 113.70 115.07 1xn6 s SER 84 Ca -0.14 0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 1xn6 s SER 84 Cb -0.15 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 65.94 1xn6 s SER 84 CO 0.03 -0.06 0.20 -0.36 0.98 0.00 0.00 173.24 174.03 1xn6 s PHE 85 N 0.51 3.22 0.35 5.02 0.08 -1.23 -1.28 117.98 124.65 1xn6 s PHE 85 Ca -0.04 -0.68 -0.15 0.00 0.12 0.00 0.00 56.93 56.18 1xn6 s PHE 85 Cb -0.06 -2.43 -0.09 0.00 -0.57 0.00 0.00 43.02 39.87 1xn6 s PHE 85 CO -0.01 -0.53 0.77 -0.51 -0.10 0.00 0.00 175.22 174.83 1xn6 s ASP 86 N 1.61 6.74 -0.01 1.36 1.11 0.29 -3.86 116.67 123.91 1xn6 s ASP 86 Ca 0.04 1.30 0.01 0.00 0.18 0.00 0.00 52.55 54.08 1xn6 s ASP 86 Cb -0.18 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1xn6 s ASP 86 CO 0.07 -0.26 -0.04 -0.76 1.18 0.00 0.00 175.17 175.36 1xn6 s LEU 87 N -3.18 1.87 -0.04 1.23 1.02 -0.97 -2.39 118.68 116.21 1xn6 s LEU 87 Ca 0.55 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.63 1xn6 s LEU 87 Cb -0.10 -0.23 0.02 0.00 0.02 0.00 0.00 46.19 45.90 1xn6 s LEU 87 CO 0.20 0.03 -0.05 -0.75 0.02 0.00 0.00 176.35 175.79 1xn6 s LYS 88 N 0.09 0.88 -0.28 1.70 2.20 -0.64 -4.77 119.74 118.92 1xn6 s LYS 88 Ca -0.01 -0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.20 1xn6 s LYS 88 Cb -0.04 -0.86 0.01 0.00 -1.51 0.00 0.00 37.83 35.43 1xn6 s LYS 88 CO -0.00 -0.06 0.95 0.34 -0.36 0.00 0.00 175.35 176.22 1xn6 s ASP 89 N 0.84 6.89 -0.14 1.43 2.15 -1.26 -0.93 116.67 125.66 1xn6 s ASP 89 Ca -0.12 1.04 0.01 0.00 0.43 0.00 0.00 52.55 53.90 1xn6 s ASP 89 Cb -0.14 -2.49 -0.09 0.00 -0.30 0.00 0.00 42.92 39.89 1xn6 s ASP 89 CO 0.01 -0.70 -0.13 0.18 -0.17 0.00 0.00 175.17 174.36 1xn6 n LEU 90 N 6.42 2.87 0.00 -1.34 4.77 -1.15 -4.95 117.00 123.62 1xn6 n LEU 90 Ca 0.09 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xn6 n LEU 90 Cb 0.47 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1xn6 n LEU 90 CO 0.53 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 1xn6 n GLY 91 N 2.77 -0.69 3.30 -0.72 0.00 -0.85 -4.95 105.19 104.05 1xn6 n GLY 91 Ca -0.26 -2.18 -0.22 0.00 0.00 0.00 0.00 46.02 43.37 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 -3.28 -3.17 1.61 8.00 -1.26 0.20 116.55 118.64 1xn6 n ASP 92 Ca 0.00 -0.32 -0.23 0.00 0.71 0.00 0.00 54.79 54.95 1xn6 n ASP 92 Cb 0.00 -2.75 0.05 0.00 -0.02 0.00 0.00 41.12 38.40 1xn6 n ASP 92 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xn6 n ASN 93 N -2.18 -6.20 -4.16 -2.24 4.13 -1.26 -4.89 115.26 98.46 1xn6 n ASN 93 Ca -0.01 -0.35 -0.20 0.00 1.68 0.00 0.00 54.58 55.69 1xn6 n ASN 93 Cb 0.54 -4.98 -0.13 0.00 -1.54 0.00 0.00 39.78 33.67 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 -5.86 0.92 -0.05 3.52 1.02 0.52 0.77 119.74 120.57 1xn6 s LYS 94 Ca 0.38 -0.83 -0.04 0.00 0.02 0.00 0.00 55.97 55.50 1xn6 s LYS 94 Cb -0.17 -0.94 0.02 0.00 -0.52 0.00 0.00 37.83 36.22 1xn6 s LYS 94 CO 0.47 0.23 0.12 0.99 -0.92 0.00 0.00 175.35 176.24 1xn6 s THR 95 N -0.97 -0.01 -0.48 2.17 2.01 -0.90 -2.01 115.64 115.46 1xn6 s THR 95 Ca 0.01 0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.79 1xn6 s THR 95 Cb -0.08 -0.18 0.03 0.00 0.01 0.00 0.00 72.50 72.27 1xn6 s THR 95 CO 0.02 0.01 0.93 -0.70 -0.69 0.00 0.00 174.62 174.19 1xn6 s GLU 96 N 0.25 3.50 -0.19 4.92 2.12 -0.10 -2.34 118.70 126.85 1xn6 s GLU 96 Ca -0.02 0.09 -0.13 0.00 0.36 0.00 0.00 54.97 55.27 1xn6 s GLU 96 Cb -0.03 -3.95 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 1xn6 s GLU 96 CO -0.01 -1.28 0.28 0.12 -0.54 0.00 0.00 175.26 173.84 1xn6 s PHE 97 N 3.81 3.41 -0.23 5.30 2.19 0.21 -1.63 117.98 131.04 1xn6 s PHE 97 Ca 0.36 0.51 -0.02 0.00 0.33 0.00 0.00 56.93 58.11 1xn6 s PHE 97 Cb -0.10 -2.36 0.07 0.00 -1.31 0.00 0.00 43.02 39.32 1xn6 s PHE 97 CO 0.25 0.15 0.05 0.99 1.83 0.00 0.00 175.22 178.49 1xn6 s THR 98 N 0.77 0.70 -0.22 0.12 2.01 -1.00 0.27 115.64 118.28 1xn6 s THR 98 Ca 0.15 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 1xn6 s THR 98 Cb -0.13 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1xn6 s THR 98 CO 0.04 -0.35 0.57 -0.22 -0.69 0.00 0.00 174.62 173.98 1xn6 s LEU 99 N 1.76 4.11 -0.11 4.42 2.96 -0.94 -0.55 118.68 130.32 1xn6 s LEU 99 Ca 0.02 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 1xn6 s LEU 99 Cb -0.17 -2.78 -0.00 0.00 0.50 0.00 0.00 46.19 43.73 1xn6 s LEU 99 CO -0.14 -0.27 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.78 1xn6 s ILE 100 N 2.06 2.34 -0.23 6.68 1.09 -0.40 -0.67 121.20 132.06 1xn6 s ILE 100 Ca 0.25 -0.92 -0.02 0.00 -1.10 0.00 0.00 60.65 58.86 1xn6 s ILE 100 Cb -0.16 -1.92 0.07 0.00 -1.06 0.00 0.00 42.46 39.39 1xn6 s ILE 100 CO 0.09 0.55 0.04 -2.28 -0.10 0.00 0.00 174.94 173.24 1xn6 s HIS 101 N 0.34 1.34 0.00 3.97 5.65 -0.97 -1.03 115.29 124.58 1xn6 s HIS 101 Ca -0.17 -1.17 0.00 0.00 0.25 0.00 0.00 55.06 53.97 1xn6 s HIS 101 Cb -0.17 -1.25 0.00 0.00 -1.18 0.00 0.00 32.58 29.98 1xn6 s HIS 101 CO 0.08 -0.70 0.00 0.41 -0.65 0.00 0.00 174.74 173.88 1xn6 n GLY 102 N 4.96 7.23 0.00 1.59 0.00 -0.46 -2.69 105.19 115.82 1xn6 n GLY 102 Ca -0.08 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 4.67 3.77 3.43 -0.02 0.00 -1.26 -1.20 105.19 114.57 1xn6 n GLY 103 Ca 0.00 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 -0.31 0.00 1.61 0.52 -1.26 -4.96 118.94 114.54 1xn6 s TRP 104 Ca 0.00 0.47 0.00 0.00 0.02 0.00 0.00 56.10 56.59 1xn6 s TRP 104 Cb 0.00 -3.18 0.00 0.00 -1.15 0.00 0.00 33.47 29.14 1xn6 s TRP 104 CO 0.00 -4.58 0.00 1.63 0.02 0.00 0.00 176.95 174.02 1xn6 n LYS 105 N -5.29 0.00 -4.26 4.98 5.02 -1.26 -4.95 118.16 112.40 1xn6 n LYS 105 Ca 0.14 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.11 1xn6 n LYS 105 Cb 0.60 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.52 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1xn6 s HIS 106 N -0.70 3.05 -1.11 2.13 2.46 -1.26 -1.71 115.29 118.15 1xn6 s HIS 106 Ca 0.00 0.05 0.22 0.00 0.47 0.00 0.00 55.06 55.80 1xn6 s HIS 106 Cb 0.00 -1.64 0.98 0.00 -0.13 0.00 0.00 32.58 31.79 1xn6 s HIS 106 CO 0.00 0.46 1.71 -0.35 -2.47 0.00 0.00 174.74 174.09 1xn6 n PRO 107 N 1.24 0.08 -0.11 2.88 -0.04 -1.26 -3.38 135.00 134.40 1xn6 n PRO 107 Ca -0.14 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 1xn6 n PRO 107 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1xn6 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xn6 n ASP 108 N -1.45 1.89 -4.75 3.54 9.92 -1.26 -4.32 116.55 120.13 1xn6 n ASP 108 Ca 0.07 0.41 -0.41 0.00 -0.53 0.00 0.00 54.79 54.33 1xn6 n ASP 108 Cb 0.24 -0.88 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 1xn6 n ASP 108 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1xn6 n GLU 109 N -4.40 2.45 -3.84 -1.24 0.28 -1.22 -4.86 120.64 107.82 1xn6 n GLU 109 Ca -0.35 0.86 -0.21 0.00 -0.16 0.00 0.00 57.16 57.31 1xn6 n GLU 109 Cb 0.68 -2.56 -0.02 0.00 1.43 0.00 0.00 31.44 30.97 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 -1.12 4.71 -0.00 3.84 -1.09 -1.26 -4.49 121.20 121.78 1xn6 s ILE 110 Ca 0.55 -1.07 -0.01 0.00 -2.23 0.00 0.00 60.65 57.89 1xn6 s ILE 110 Cb -0.50 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1xn6 s ILE 110 CO 0.63 -0.28 0.10 -0.22 -1.23 0.00 0.00 174.94 173.94 1xn6 s LEU 111 N -4.01 3.99 -0.07 2.97 2.96 -1.26 -4.97 118.68 118.28 1xn6 s LEU 111 Ca 0.37 0.18 -0.27 0.00 -0.22 0.00 0.00 54.13 54.20 1xn6 s LEU 111 Cb -0.09 -2.34 -0.23 0.00 0.50 0.00 0.00 46.19 44.03 1xn6 s LEU 111 CO 0.29 0.27 1.03 1.55 -1.32 0.00 0.00 176.35 178.16 1xn6 h PRO 112 N 4.02 0.04 -1.99 0.98 0.13 -1.94 0.66 132.00 133.89 1xn6 h PRO 112 Ca -0.49 -0.04 -0.32 0.00 -0.87 0.00 0.00 66.00 64.28 1xn6 h PRO 112 Cb 1.18 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1xn6 h PRO 112 CO 0.64 0.78 -0.04 1.63 -0.23 0.00 0.00 178.00 180.77 1xn6 n LYS 113 N -4.69 2.16 0.03 0.86 4.76 -1.26 -4.03 118.16 115.99 1xn6 n LYS 113 Ca -0.09 -1.57 0.00 0.00 -2.87 0.00 0.00 58.31 53.77 1xn6 n LYS 113 Cb 0.39 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xn6 n ALA 114 N 1.77 0.00 -0.08 7.82 0.00 -1.24 -4.31 120.51 124.47 1xn6 n ALA 114 Ca 0.45 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.90 1xn6 n ALA 114 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -2.59 -0.48 -1.43 0.00 5.15 0.23 -4.99 115.26 111.14 1xn6 n ASN 115 Ca 0.00 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1xn6 n ASN 115 Cb 0.00 -0.25 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 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 -1.21 -1.82 -1.62 5.20 0.00 -1.26 -4.65 120.51 115.14 1xn6 n ALA 116 Ca 0.00 0.44 -0.49 0.00 0.00 0.00 0.00 53.44 53.38 1xn6 n ALA 116 Cb 0.04 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.28 1.57 0.07 0.00 5.02 -1.26 -4.51 118.16 116.77 1xn6 n LYS 117 Ca 0.00 0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 56.73 1xn6 n LYS 117 Cb 0.38 -2.25 -0.07 0.00 -0.02 0.00 0.00 35.03 33.07 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 4.99 -0.10 -1.27 4.39 0.02 -1.79 -0.60 113.55 119.20 1xn6 h SER 118 Ca -0.46 0.01 0.37 0.00 -0.84 0.00 0.00 61.79 60.87 1xn6 h SER 118 Cb 1.30 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 63.78 1xn6 h SER 118 CO 0.81 -0.07 0.85 0.77 -1.14 0.00 0.00 176.83 178.06 1xn6 h SER 119 N -0.10 0.22 0.39 3.07 4.64 -1.90 1.68 113.55 121.55 1xn6 h SER 119 Ca -0.01 0.07 -0.30 0.00 -0.47 0.00 0.00 61.79 61.09 1xn6 h SER 119 Cb 0.09 0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1xn6 h SER 119 CO 0.01 -0.03 -1.30 0.40 -0.87 0.00 0.00 176.83 175.03 1xn6 h ILE 120 N 0.15 1.38 0.02 0.95 2.04 -1.65 -1.93 117.51 118.47 1xn6 h ILE 120 Ca 0.70 -2.78 -0.00 0.00 1.00 0.00 0.00 64.86 63.78 1xn6 h ILE 120 Cb 2.29 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 41.26 1xn6 h ILE 120 CO -0.23 0.83 -0.01 0.40 0.00 0.00 0.00 178.15 179.13 1xn6 h ILE 121 N 0.15 1.26 0.00 -0.67 1.08 0.33 0.07 117.51 119.73 1xn6 h ILE 121 Ca -0.18 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 1xn6 h ILE 121 Cb 2.00 1.86 -0.00 0.00 -3.07 0.00 0.00 36.82 37.61 1xn6 h ILE 121 CO 0.23 0.23 -0.11 0.08 -0.69 0.00 0.00 178.15 177.89 1xn6 h ARG 122 N -0.42 0.00 0.32 2.37 0.11 0.16 0.38 114.38 117.30 1xn6 h ARG 122 Ca -0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1xn6 h ARG 122 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1xn6 h ARG 122 CO 0.01 0.11 -0.15 0.22 0.10 0.00 0.00 179.97 180.26 1xn6 h ASP 123 N 0.00 -0.36 -0.90 0.08 3.58 -1.08 0.28 116.42 118.03 1xn6 h ASP 123 Ca -0.00 -0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.50 1xn6 h ASP 123 Cb 0.29 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.35 1xn6 h ASP 123 CO 0.01 0.10 0.54 0.03 -2.88 0.00 0.00 179.24 177.04 1xn6 h ARG 124 N -1.08 0.87 -0.07 0.28 3.08 -0.82 0.52 114.38 117.16 1xn6 h ARG 124 Ca -0.04 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1xn6 h ARG 124 Cb 0.39 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1xn6 h ARG 124 CO 0.07 0.57 -0.05 1.98 -1.07 0.00 0.00 179.97 181.47 1xn6 h MET 125 N 0.89 0.16 -0.26 0.04 4.05 -0.99 -2.80 114.93 116.03 1xn6 h MET 125 Ca 0.43 -0.08 0.02 0.00 -0.28 0.00 0.00 59.70 59.79 1xn6 h MET 125 Cb 0.38 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1xn6 h MET 125 CO -0.25 0.57 0.12 1.03 0.23 0.00 0.00 176.91 178.62 1xn6 h SER 126 N -0.25 0.18 -0.49 1.39 0.87 0.22 0.77 113.55 116.24 1xn6 h SER 126 Ca 0.01 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1xn6 h SER 126 Cb 0.53 -0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.37 1xn6 h SER 126 CO 0.01 0.14 -0.18 1.23 -0.53 0.00 0.00 176.83 177.51 1xn6 h GLY 127 N 0.26 0.23 1.82 5.77 0.00 0.02 0.59 103.07 111.76 1xn6 h GLY 127 Ca 0.11 0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 1xn6 h GLY 127 CO -0.08 -0.21 -0.32 -1.33 0.00 0.00 0.00 176.54 174.61 1xn6 h GLY 128 N -0.07 0.23 1.00 4.60 0.00 -1.19 -2.11 103.07 105.54 1xn6 h GLY 128 Ca 0.23 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1xn6 h GLY 128 CO -0.54 0.17 0.02 1.49 0.00 0.00 0.00 176.54 177.69 1xn6 h TRP 129 N 0.18 0.94 0.06 5.60 -0.00 0.17 1.15 115.95 124.05 1xn6 h TRP 129 Ca 0.02 -0.15 -0.00 0.00 -0.00 0.00 0.00 58.89 58.76 1xn6 h TRP 129 Cb 0.66 -0.25 -0.00 0.00 -0.00 0.00 0.00 29.16 29.57 1xn6 h TRP 129 CO 0.01 0.87 -0.04 0.28 -0.00 0.00 0.00 178.44 179.56 1xn6 h VAL 130 N 0.73 0.91 0.14 1.49 2.07 0.43 1.42 116.25 123.44 1xn6 h VAL 130 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1xn6 h VAL 130 Cb 0.48 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1xn6 h VAL 130 CO 0.02 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.54 1xn6 h ALA 131 N 0.83 -0.19 -0.95 1.67 0.00 -1.20 -0.10 119.26 119.31 1xn6 h ALA 131 Ca -0.00 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1xn6 h ALA 131 Cb 0.09 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1xn6 h ALA 131 CO 0.00 -0.47 0.61 0.82 0.00 0.00 0.00 179.25 180.22 1xn6 h ILE 132 N -0.48 0.97 -0.08 0.00 2.04 0.15 1.16 117.51 121.27 1xn6 h ILE 132 Ca -0.02 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 1xn6 h ILE 132 Cb 0.38 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1xn6 h ILE 132 CO 0.03 0.18 -0.30 0.58 0.00 0.00 0.00 178.15 178.64 1xn6 h VAL 133 N 0.97 1.25 -0.71 1.67 2.07 0.22 -1.05 116.25 120.67 1xn6 h VAL 133 Ca 0.45 -1.17 -0.50 0.00 0.82 0.00 0.00 66.70 66.30 1xn6 h VAL 133 Cb 0.41 1.52 -0.34 0.00 -1.52 0.00 0.00 31.29 31.36 1xn6 h VAL 133 CO -0.21 0.35 -0.42 0.59 0.02 0.00 0.00 177.57 177.90 1xn6 n ASN 134 N -4.14 4.98 0.12 0.57 3.02 0.11 -3.26 115.26 116.65 1xn6 n ASN 134 Ca -0.01 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 1xn6 n ASN 134 Cb 0.38 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.01 3.52 -0.58 0.36 -4.89 120.64 118.23 1xn6 n GLU 135 Ca 0.45 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1xn6 n GLU 135 Cb 0.90 0.00 -0.00 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 -3.25 0.03 -0.31 3.49 5.02 -0.43 -3.58 118.16 119.13 1xn6 n LYS 136 Ca 0.00 0.24 -0.04 0.00 -2.02 0.00 0.00 58.31 56.49 1xn6 n LYS 136 Cb 0.00 -0.79 -0.01 0.00 -0.02 0.00 0.00 35.03 34.22 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 -2.46 -0.62 -0.08 -0.35 0.00 -1.03 0.21 117.00 112.67 1xn6 n LEU 137 Ca -0.01 1.37 -0.10 0.00 0.00 0.00 0.00 56.01 57.28 1xn6 n LEU 137 Cb 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 43.42 43.14 1xn6 n LEU 137 CO 0.01 -1.19 0.61 0.50 0.00 0.00 0.00 177.39 177.32 1xn6 h LYS 138 N 0.00 -0.33 -0.73 1.96 3.64 -1.77 1.53 116.57 120.86 1xn6 h LYS 138 Ca 0.22 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1xn6 h LYS 138 Cb 0.41 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1xn6 h LYS 138 CO -0.76 -0.22 0.46 0.87 -2.27 0.00 0.00 179.45 177.53 1xn6 h LYS 139 N -0.35 0.97 0.47 1.90 1.79 0.13 1.24 116.57 122.71 1xn6 h LYS 139 Ca 0.13 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1xn6 h LYS 139 Cb 0.57 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1xn6 h LYS 139 CO -0.50 0.66 -0.22 0.28 -1.08 0.00 0.00 179.45 178.59 1xn6 h VAL 140 N 0.99 0.52 0.59 0.50 2.07 0.59 1.46 116.25 122.99 1xn6 h VAL 140 Ca 0.26 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1xn6 h VAL 140 Cb -0.09 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1xn6 h VAL 140 CO -0.05 0.04 -0.29 0.58 0.02 0.00 0.00 177.57 177.87 1xn6 h VAL 141 N -0.76 0.33 -0.00 2.57 2.07 0.24 -2.37 116.25 118.32 1xn6 h VAL 141 Ca -0.06 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1xn6 h VAL 141 Cb 0.54 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1xn6 h VAL 141 CO 0.11 0.03 0.02 -0.08 0.02 0.00 0.00 177.57 177.66 1xn6 h GLU 142 N -0.98 0.00 0.00 1.57 4.81 0.15 -3.49 114.58 116.64 1xn6 h GLU 142 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xn6 h GLU 142 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1xn6 h GLU 142 CO 0.13 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.82