#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn6 s GLU 2 N 0.00 0.00 0.31 0.03 2.12 -1.26 -5.18 118.70 114.73 1xn6 s GLU 2 Ca 0.00 -0.00 0.10 0.00 0.36 0.00 0.00 54.97 55.42 1xn6 s GLU 2 Cb 0.00 0.00 -0.06 0.00 0.26 0.00 0.00 34.13 34.33 1xn6 s GLU 2 CO 0.00 -0.00 -0.12 1.14 -0.54 0.00 0.00 175.26 175.74 1xn6 s GLN 3 N -2.00 1.73 0.48 4.30 -2.07 -1.26 -5.13 119.66 115.71 1xn6 s GLN 3 Ca 0.13 -1.86 -0.20 0.00 -1.82 0.00 0.00 55.36 51.61 1xn6 s GLN 3 Cb 0.02 -1.61 -0.09 0.00 -1.09 0.00 0.00 33.01 30.24 1xn6 s GLN 3 CO -0.04 0.17 1.02 -0.65 -1.32 0.00 0.00 175.29 174.47 1xn6 s GLN 4 N -3.61 3.88 0.26 9.60 1.11 -1.26 -5.07 119.66 124.57 1xn6 s GLN 4 Ca 0.31 1.28 0.08 0.00 0.01 0.00 0.00 55.36 57.05 1xn6 s GLN 4 Cb 0.01 -2.11 -0.05 0.00 -1.01 0.00 0.00 33.01 29.84 1xn6 s GLN 4 CO 0.15 -0.35 -0.12 -0.80 0.01 0.00 0.00 175.29 174.17 1xn6 s ASN 5 N -2.11 2.95 0.33 5.90 0.01 -1.26 -5.08 114.94 115.68 1xn6 s ASN 5 Ca 0.66 -1.10 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1xn6 s ASN 5 Cb -0.14 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.32 1xn6 s ASN 5 CO 0.20 -0.19 0.00 0.41 -1.51 0.00 0.00 177.10 176.01 1xn6 n THR 6 N -0.53 0.00 -3.30 1.60 -1.04 -1.26 -4.65 114.28 105.10 1xn6 n THR 6 Ca -0.06 0.17 -0.39 0.00 -2.04 0.00 0.00 64.05 61.72 1xn6 n THR 6 Cb 0.62 -0.57 -0.08 0.00 -1.82 0.00 0.00 70.33 68.48 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 -6.24 4.09 0.42 -4.42 1.43 0.31 -4.77 118.68 109.50 1xn6 s LEU 7 Ca 0.00 0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 53.37 1xn6 s LEU 7 Cb 0.00 -2.60 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 1xn6 s LEU 7 CO 0.00 -0.21 1.10 0.20 0.23 0.00 0.00 176.35 177.67 1xn6 s ASN 8 N 1.39 6.53 -0.39 2.29 -0.87 -1.26 -4.86 114.94 117.76 1xn6 s ASN 8 Ca 0.20 2.16 -0.29 0.00 -1.57 0.00 0.00 52.86 53.36 1xn6 s ASN 8 Cb -0.15 -2.59 0.02 0.00 -0.02 0.00 0.00 41.25 38.50 1xn6 s ASN 8 CO 0.09 -0.66 1.11 -1.81 -2.57 0.00 0.00 177.10 173.26 1xn6 s ASP 9 N -1.45 6.80 -0.98 -1.22 1.01 -1.26 -4.88 116.67 114.68 1xn6 s ASP 9 Ca 0.60 0.80 -0.25 0.00 0.71 0.00 0.00 52.55 54.40 1xn6 s ASP 9 Cb -0.25 -2.55 -0.24 0.00 1.01 0.00 0.00 42.92 40.89 1xn6 s ASP 9 CO 0.31 -1.05 2.56 -0.38 0.21 0.00 0.00 175.17 176.82 1xn6 n ILE 10 N 6.30 -0.00 -4.09 0.77 5.41 -0.89 -4.70 119.36 122.16 1xn6 n ILE 10 Ca 0.12 -0.15 -0.35 0.00 1.00 0.00 0.00 62.75 63.37 1xn6 n ILE 10 Cb 0.48 -0.46 -0.10 0.00 -0.71 0.00 0.00 39.64 38.85 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 8.49 3.73 -0.52 0.38 2.20 -1.23 -1.89 119.74 130.91 1xn6 s LYS 11 Ca 1.33 -0.35 0.04 0.00 -0.36 0.00 0.00 55.97 56.63 1xn6 s LYS 11 Cb -1.12 -3.11 0.16 0.00 -1.51 0.00 0.00 37.83 32.25 1xn6 s LYS 11 CO 0.50 0.39 0.35 -0.65 -0.36 0.00 0.00 175.35 175.58 1xn6 s GLN 12 N 0.02 1.56 -0.25 4.03 -0.21 -0.58 -4.90 119.66 119.33 1xn6 s GLN 12 Ca 0.05 -2.46 -0.25 0.00 0.02 0.00 0.00 55.36 52.72 1xn6 s GLN 12 Cb -0.12 -2.45 -0.00 0.00 1.00 0.00 0.00 33.01 31.44 1xn6 s GLN 12 CO 0.01 -1.26 0.84 0.99 -2.12 0.00 0.00 175.29 173.75 1xn6 s THR 13 N -0.30 4.81 0.03 -0.19 2.01 -1.25 -2.53 115.64 118.22 1xn6 s THR 13 Ca 0.24 1.56 -0.11 0.00 0.31 0.00 0.00 61.69 63.69 1xn6 s THR 13 Cb -0.11 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.27 1xn6 s THR 13 CO -0.10 -0.11 0.23 -0.51 -0.69 0.00 0.00 174.62 173.43 1xn6 s ILE 14 N 2.90 0.09 -0.22 1.82 2.07 0.49 -4.99 121.20 123.37 1xn6 s ILE 14 Ca 0.35 -0.75 -0.03 0.00 -1.41 0.00 0.00 60.65 58.81 1xn6 s ILE 14 Cb -0.15 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 41.64 1xn6 s ILE 14 CO 0.08 -0.42 -0.07 -0.69 -1.91 0.00 0.00 174.94 171.93 1xn6 s VAL 15 N -2.20 3.03 0.32 4.00 1.01 -1.26 0.39 120.40 125.70 1xn6 s VAL 15 Ca -0.08 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1xn6 s VAL 15 Cb -0.03 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1xn6 s VAL 15 CO -0.02 0.38 0.30 -0.36 0.00 0.00 0.00 175.10 175.41 1xn6 s PHE 16 N 1.41 2.96 -1.24 5.22 0.08 -0.99 -4.98 117.98 120.43 1xn6 s PHE 16 Ca 0.04 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 56.74 1xn6 s PHE 16 Cb -0.15 -1.76 0.19 0.00 -0.57 0.00 0.00 43.02 40.73 1xn6 s PHE 16 CO -0.05 0.21 1.74 -1.71 -0.10 0.00 0.00 175.22 175.32 1xn6 n ASN 17 N -1.37 5.31 -2.71 1.36 2.85 -1.26 -2.85 115.26 116.58 1xn6 n ASN 17 Ca -0.03 -3.14 -0.08 0.00 -0.11 0.00 0.00 54.58 51.23 1xn6 n ASN 17 Cb 0.59 -1.46 0.03 0.00 1.24 0.00 0.00 39.78 40.18 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 3.70 -1.73 -2.84 5.20 0.00 0.42 -4.85 120.51 120.40 1xn6 n ALA 18 Ca 0.37 -1.18 -0.23 0.00 0.00 0.00 0.00 53.44 52.40 1xn6 n ALA 18 Cb 0.37 0.93 -0.04 0.00 0.00 0.00 0.00 19.45 20.70 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 -2.97 5.62 0.52 0.00 0.01 -1.25 -0.30 113.70 115.32 1xn6 s SER 19 Ca 0.15 -0.19 0.23 0.00 1.31 0.00 0.00 55.95 57.45 1xn6 s SER 19 Cb -0.05 -1.47 1.35 0.00 0.21 0.00 0.00 66.02 66.07 1xn6 s SER 19 CO 0.11 -0.02 2.01 -0.29 0.41 0.00 0.00 173.24 175.45 1xn6 h ILE 20 N 1.54 0.77 -0.19 1.44 2.10 -1.86 0.69 117.51 122.01 1xn6 h ILE 20 Ca -0.49 -0.01 -0.09 0.00 1.08 0.00 0.00 64.86 65.35 1xn6 h ILE 20 Cb 1.23 0.73 -0.00 0.00 -1.09 0.00 0.00 36.82 37.69 1xn6 h ILE 20 CO 0.61 0.01 -0.22 1.56 -1.08 0.00 0.00 178.15 179.03 1xn6 h GLN 21 N 0.04 0.49 0.10 2.19 7.50 -1.94 -0.02 115.11 123.47 1xn6 h GLN 21 Ca 0.23 -0.27 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 1xn6 h GLN 21 Cb 0.87 0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.42 1xn6 h GLN 21 CO -0.01 0.85 -0.05 -0.22 -1.50 0.00 0.00 178.83 177.91 1xn6 h LYS 22 N 0.15 -0.13 -0.82 1.46 3.64 -1.34 -0.36 116.57 119.18 1xn6 h LYS 22 Ca 0.03 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1xn6 h LYS 22 Cb 0.78 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.57 1xn6 h LYS 22 CO 0.05 0.32 0.53 0.28 -2.27 0.00 0.00 179.45 178.37 1xn6 h VAL 23 N -0.64 0.83 -0.29 2.00 2.07 0.22 0.20 116.25 120.64 1xn6 h VAL 23 Ca -0.01 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 1xn6 h VAL 23 Cb 0.51 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1xn6 h VAL 23 CO 0.02 0.10 -0.18 -0.25 0.02 0.00 0.00 177.57 177.29 1xn6 h TRP 24 N 0.57 0.73 -0.64 1.57 2.91 -0.87 -2.52 115.95 117.71 1xn6 h TRP 24 Ca 0.40 -0.19 0.18 0.00 1.13 0.00 0.00 58.89 60.40 1xn6 h TRP 24 Cb 0.74 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.19 1xn6 h TRP 24 CO -0.00 0.89 0.45 1.03 -1.03 0.00 0.00 178.44 179.78 1xn6 h SER 25 N 0.37 0.06 1.61 2.65 0.87 0.11 1.30 113.55 120.53 1xn6 h SER 25 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1xn6 h SER 25 Cb 0.72 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1xn6 h SER 25 CO 0.05 0.03 0.00 0.58 -0.53 0.00 0.00 176.83 176.96 1xn6 h VAL 26 N 0.06 0.00 -1.52 2.23 2.07 -0.84 -3.23 116.25 115.02 1xn6 h VAL 26 Ca 0.31 -0.80 -0.54 0.00 0.82 0.00 0.00 66.70 66.48 1xn6 h VAL 26 Cb 1.14 1.80 -0.42 0.00 -1.52 0.00 0.00 31.29 32.29 1xn6 h VAL 26 CO -0.02 0.00 -0.82 1.33 0.02 0.00 0.00 177.57 178.07 1xn6 n VAL 27 N -3.09 2.11 -1.90 2.57 0.24 0.44 -3.94 118.33 114.75 1xn6 n VAL 27 Ca 0.03 -4.65 -0.03 0.00 -2.04 0.00 0.00 64.34 57.65 1xn6 n VAL 27 Cb 0.44 -0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 31.91 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 -0.35 -0.55 -2.84 -1.34 3.41 -0.49 -4.91 113.62 106.55 1xn6 n SER 28 Ca 0.32 -1.12 -0.16 0.00 -0.26 0.00 0.00 58.87 57.65 1xn6 n SER 28 Cb 0.66 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.74 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 -0.14 0.00 -0.09 6.66 -2.24 -1.25 -4.94 114.28 112.27 1xn6 n THR 29 Ca -0.13 -1.98 -0.14 0.00 -2.27 0.00 0.00 64.05 59.53 1xn6 n THR 29 Cb 0.52 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.09 1.63 0.10 6.98 0.00 -1.26 -4.13 120.51 122.75 1xn6 n ALA 30 Ca -0.10 -0.77 -0.23 0.00 0.00 0.00 0.00 53.44 52.34 1xn6 n ALA 30 Cb 0.50 0.11 -0.15 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.10 0.46 -0.17 0.00 4.22 -1.96 -1.90 114.58 115.14 1xn6 h GLU 31 Ca -0.42 -0.76 0.02 0.00 0.08 0.00 0.00 59.36 58.28 1xn6 h GLU 31 Cb 1.60 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 31.11 1xn6 h GLU 31 CO -0.10 1.36 0.05 0.78 -2.18 0.00 0.00 179.01 178.92 1xn6 h GLY 32 N -0.03 0.20 0.75 1.92 0.00 -1.89 -0.44 103.07 103.57 1xn6 h GLY 32 Ca -0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1xn6 h GLY 32 CO 0.22 0.02 -0.03 -2.22 0.00 0.00 0.00 176.54 174.54 1xn6 h ILE 33 N 0.13 1.28 -0.02 2.60 2.04 -1.68 -2.15 117.51 119.71 1xn6 h ILE 33 Ca 0.07 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.99 1xn6 h ILE 33 Cb 0.04 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1xn6 h ILE 33 CO -0.07 0.28 0.29 0.00 0.00 0.00 0.00 178.15 178.64 1xn6 h ALA 34 N 0.71 1.34 0.00 1.87 0.00 -1.10 1.47 119.26 123.56 1xn6 h ALA 34 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xn6 h ALA 34 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xn6 h ALA 34 CO 0.01 -0.30 0.00 0.43 0.00 0.00 0.00 179.25 179.39 1xn6 n SER 35 N -2.98 0.00 -2.68 0.00 7.64 -0.20 -3.95 113.62 111.46 1xn6 n SER 35 Ca -0.02 -1.20 -0.04 0.00 1.01 0.00 0.00 58.87 58.62 1xn6 n SER 35 Cb 0.35 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.66 1xn6 n SER 35 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1xn6 n TRP 36 N -0.88 -0.97 0.00 1.43 4.27 0.49 -4.68 117.44 117.10 1xn6 n TRP 36 Ca 0.18 -1.05 0.00 0.00 -3.89 0.00 0.00 57.50 52.74 1xn6 n TRP 36 Cb 0.08 1.28 0.00 0.00 -1.36 0.00 0.00 31.31 31.31 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 0.44 0.00 0.00 -2.67 7.35 -0.42 -4.91 117.46 117.26 1xn6 n PHE 37 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1xn6 n PHE 37 Cb 0.75 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.58 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 -2.41 -4.13 2.81 -1.25 -5.00 117.12 107.14 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 0.26 0.03 0.04 -1.26 -3.83 135.00 132.46 1xn6 s PRO 39 Ca 0.00 1.66 -0.21 0.00 0.04 0.00 0.00 61.00 62.49 1xn6 s PRO 39 Cb 0.00 -3.78 0.04 0.00 0.04 0.00 0.00 34.50 30.81 1xn6 s PRO 39 CO 0.00 -0.73 0.83 0.54 0.04 0.00 0.00 177.00 177.68 1xn6 s ASN 40 N 2.06 -0.16 -0.92 6.66 2.20 -1.26 0.43 114.94 123.95 1xn6 s ASN 40 Ca 0.55 -0.67 -0.01 0.00 -0.94 0.00 0.00 52.86 51.80 1xn6 s ASN 40 Cb -0.22 0.66 0.28 0.00 -2.00 0.00 0.00 41.25 39.97 1xn6 s ASN 40 CO 0.15 -1.26 1.14 0.47 -2.94 0.00 0.00 177.10 174.67 1xn6 n ASP 41 N -0.73 5.26 -4.34 3.54 8.00 -1.26 -4.79 116.55 122.23 1xn6 n ASP 41 Ca -0.05 -3.37 -0.40 0.00 0.71 0.00 0.00 54.79 51.68 1xn6 n ASP 41 Cb 0.60 -1.06 0.01 0.00 -0.02 0.00 0.00 41.12 40.65 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 1.38 -1.90 -3.66 1.24 7.35 -1.26 -4.90 117.46 115.71 1xn6 n PHE 42 Ca 0.26 0.50 -0.24 0.00 -0.76 0.00 0.00 57.45 57.22 1xn6 n PHE 42 Cb 0.36 -1.81 -0.17 0.00 0.35 0.00 0.00 39.48 38.21 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 -1.80 0.02 -1.38 -2.13 0.11 -1.26 -4.83 120.40 109.13 1xn6 s VAL 43 Ca 0.61 -0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.51 1xn6 s VAL 43 Cb -0.53 -0.49 0.07 0.00 -1.53 0.00 0.00 36.38 33.90 1xn6 s VAL 43 CO 0.62 -0.08 1.98 -0.11 -3.33 0.00 0.00 175.10 174.18 1xn6 n LEU 44 N 5.25 6.02 -3.85 2.54 7.94 -1.26 -4.87 117.00 128.76 1xn6 n LEU 44 Ca -0.06 -4.10 -0.12 0.00 -1.11 0.00 0.00 56.01 50.63 1xn6 n LEU 44 Cb 0.49 -1.68 -0.11 0.00 0.53 0.00 0.00 43.42 42.64 1xn6 n LEU 44 CO 0.09 0.73 -0.20 -1.61 -1.11 0.00 0.00 177.39 175.29 1xn6 s GLU 45 N 3.38 0.30 0.05 1.96 2.02 -1.26 -5.11 118.70 120.04 1xn6 s GLU 45 Ca 0.49 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 1xn6 s GLU 45 Cb 0.09 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.40 1xn6 s GLU 45 CO -0.01 -0.06 1.11 0.08 0.02 0.00 0.00 175.26 176.40 1xn6 s VAL 46 N -0.60 4.32 -0.53 2.63 1.01 -1.26 -2.66 120.40 123.31 1xn6 s VAL 46 Ca -0.07 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1xn6 s VAL 46 Cb -0.04 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1xn6 s VAL 46 CO 0.01 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1xn6 n GLY 47 N 2.99 0.69 3.69 4.51 0.00 -0.99 -4.97 105.19 111.11 1xn6 n GLY 47 Ca 0.07 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.91 3.44 0.08 1.61 5.04 -1.09 -4.81 115.29 117.66 1xn6 s HIS 48 Ca 0.00 0.83 0.07 0.00 -1.54 0.00 0.00 55.06 54.43 1xn6 s HIS 48 Cb 0.00 -2.62 -0.04 0.00 0.04 0.00 0.00 32.58 29.96 1xn6 s HIS 48 CO 0.00 0.02 -0.13 -1.83 -2.34 0.00 0.00 174.74 170.47 1xn6 s GLU 49 N 1.17 2.10 0.08 2.88 -1.05 -1.26 -1.36 118.70 121.26 1xn6 s GLU 49 Ca 0.25 -1.01 0.02 0.00 -0.15 0.00 0.00 54.97 54.08 1xn6 s GLU 49 Cb -0.15 -2.27 -0.01 0.00 -0.44 0.00 0.00 34.13 31.26 1xn6 s GLU 49 CO 0.10 0.52 0.07 1.97 0.95 0.00 0.00 175.26 178.87 1xn6 n PHE 50 N 0.96 -0.22 -4.17 4.83 -1.74 -0.58 -4.96 117.46 111.58 1xn6 n PHE 50 Ca -0.15 -0.69 -0.17 0.00 -0.56 0.00 0.00 57.45 55.89 1xn6 n PHE 50 Cb 0.52 0.07 -0.15 0.00 1.52 0.00 0.00 39.48 41.45 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 -2.41 0.53 0.40 2.97 3.76 -1.26 -1.85 115.29 117.42 1xn6 s HIS 51 Ca 0.10 -0.10 0.08 0.00 -0.15 0.00 0.00 55.06 54.98 1xn6 s HIS 51 Cb 0.00 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 1xn6 s HIS 51 CO 0.07 -0.04 0.38 0.14 -0.85 0.00 0.00 174.74 174.44 1xn6 s VAL 52 N 0.07 2.87 -0.40 -0.90 -7.23 -1.23 -4.20 120.40 109.39 1xn6 s VAL 52 Ca -0.00 -1.31 -0.03 0.00 -1.81 0.00 0.00 61.98 58.82 1xn6 s VAL 52 Cb -0.05 -3.04 0.10 0.00 0.56 0.00 0.00 36.38 33.96 1xn6 s VAL 52 CO -0.00 -0.04 0.18 -1.10 -0.31 0.00 0.00 175.10 173.83 1xn6 s GLN 53 N -4.12 2.06 0.08 4.82 -1.52 0.17 -3.95 119.66 117.19 1xn6 s GLN 53 Ca 0.47 -1.75 0.07 0.00 -1.95 0.00 0.00 55.36 52.20 1xn6 s GLN 53 Cb -0.04 -3.54 -0.04 0.00 -0.22 0.00 0.00 33.01 29.17 1xn6 s GLN 53 CO 0.28 -1.02 -0.12 0.45 -0.25 0.00 0.00 175.29 174.64 1xn6 s SER 54 N 1.75 4.28 0.00 5.90 0.15 -1.25 -4.15 113.70 120.38 1xn6 s SER 54 Ca 0.07 -0.37 0.23 0.00 0.70 0.00 0.00 55.95 56.58 1xn6 s SER 54 Cb -0.22 -0.81 1.27 0.00 -1.71 0.00 0.00 66.02 64.55 1xn6 s SER 54 CO -0.04 0.21 1.76 -0.81 1.20 0.00 0.00 173.24 175.57 1xn6 n PRO 55 N 1.00 0.51 -1.06 5.44 -0.04 -1.26 -2.68 135.00 136.91 1xn6 n PRO 55 Ca -0.14 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.33 1xn6 n PRO 55 Cb 0.52 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.16 0.76 0.00 0.54 7.35 -1.26 -5.08 117.46 118.61 1xn6 n PHE 56 Ca 0.14 -1.66 0.00 0.00 -0.76 0.00 0.00 57.45 55.17 1xn6 n PHE 56 Cb 0.14 -0.27 0.00 0.00 0.35 0.00 0.00 39.48 39.70 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 -0.93 2.26 3.76 7.13 0.00 -1.09 -5.01 105.19 111.31 1xn6 n GLY 57 Ca 0.25 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.58 4.66 -0.33 1.61 0.04 -1.26 -3.83 135.00 132.31 1xn6 s PRO 58 Ca 0.00 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 1xn6 s PRO 58 Cb 0.00 -3.19 0.11 0.00 0.04 0.00 0.00 34.50 31.46 1xn6 s PRO 58 CO 0.00 0.24 0.15 -1.12 0.04 0.00 0.00 177.00 176.31 1xn6 s SER 59 N -0.92 3.67 0.84 6.66 0.01 -1.25 -4.93 113.70 117.77 1xn6 s SER 59 Ca 0.44 -1.82 -0.12 0.00 1.31 0.00 0.00 55.95 55.77 1xn6 s SER 59 Cb -0.31 -0.69 0.09 0.00 0.21 0.00 0.00 66.02 65.32 1xn6 s SER 59 CO 0.40 -0.38 1.11 -2.16 0.41 0.00 0.00 173.24 172.62 1xn6 s PRO 60 N 1.42 1.74 0.20 12.44 0.04 -1.26 -3.57 135.00 146.02 1xn6 s PRO 60 Ca 0.12 0.51 -0.01 0.00 0.04 0.00 0.00 61.00 61.66 1xn6 s PRO 60 Cb -0.19 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1xn6 s PRO 60 CO -0.19 -1.83 0.11 0.00 0.04 0.00 0.00 177.00 175.13 1xn6 s LYS 62 N -4.12 0.14 0.38 0.00 2.20 -0.71 -1.52 119.74 116.11 1xn6 s LYS 62 Ca 0.37 0.41 -0.27 0.00 -0.36 0.00 0.00 55.97 56.11 1xn6 s LYS 62 Cb 0.07 -0.72 -0.10 0.00 -1.51 0.00 0.00 37.83 35.57 1xn6 s LYS 62 CO 0.11 -0.49 1.43 0.08 -0.36 0.00 0.00 175.35 176.12 1xn6 s VAL 63 N 2.34 2.21 -0.15 4.02 1.01 -0.46 0.43 120.40 129.81 1xn6 s VAL 63 Ca 0.05 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 1xn6 s VAL 63 Cb -0.14 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 1xn6 s VAL 63 CO -0.10 0.05 -0.26 0.18 0.00 0.00 0.00 175.10 174.97 1xn6 n LEU 64 N 0.37 1.58 -4.06 3.92 4.77 0.20 -2.34 117.00 121.44 1xn6 n LEU 64 Ca 0.02 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1xn6 n LEU 64 Cb 0.40 -0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 40.77 1xn6 n LEU 64 CO 0.61 -0.02 -0.40 -0.70 -1.33 0.00 0.00 177.39 175.56 1xn6 s GLU 65 N -2.53 0.53 -0.09 3.23 2.56 -0.83 -4.51 118.70 117.07 1xn6 s GLU 65 Ca -0.24 -0.77 0.01 0.00 0.00 0.00 0.00 54.97 53.96 1xn6 s GLU 65 Cb 0.07 -0.28 0.02 0.00 2.00 0.00 0.00 34.13 35.93 1xn6 s GLU 65 CO 0.33 0.05 -0.09 0.42 -0.56 0.00 0.00 175.26 175.41 1xn6 s ILE 66 N -1.44 1.03 -0.50 -3.70 1.01 -1.26 -1.19 121.20 115.15 1xn6 s ILE 66 Ca -0.10 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1xn6 s ILE 66 Cb -0.10 -1.01 0.20 0.00 0.01 0.00 0.00 42.46 41.56 1xn6 s ILE 66 CO 0.00 0.36 0.71 0.47 0.00 0.00 0.00 174.94 176.48 1xn6 n ASP 67 N 4.52 -2.91 -0.25 3.58 8.00 -0.11 -4.99 116.55 124.40 1xn6 n ASP 67 Ca -0.17 -2.93 -0.01 0.00 0.71 0.00 0.00 54.79 52.40 1xn6 n ASP 67 Cb 0.51 1.44 0.06 0.00 -0.02 0.00 0.00 41.12 43.10 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 4.84 -0.05 -2.70 -1.24 4.81 -1.98 1.35 114.58 119.63 1xn6 h GLU 68 Ca 0.04 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.97 1xn6 h GLU 68 Cb 1.06 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1xn6 h GLU 68 CO 0.13 -0.03 1.32 -0.35 -0.73 0.00 0.00 179.01 179.35 1xn6 n PRO 69 N -5.47 2.08 0.00 0.92 -0.04 -1.26 -3.98 135.00 127.25 1xn6 n PRO 69 Ca 0.08 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1xn6 n PRO 69 Cb 0.37 -2.20 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 -1.71 -0.04 0.00 0.00 175.50 173.75 1xn6 n ASN 70 N 3.21 0.00 0.00 3.54 4.05 -0.47 -5.14 115.26 120.45 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 -3.98 1.20 1.44 0.45 -2.39 115.22 111.94 1xn6 n HIS 71 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 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 0.71 0.02 2.39 2.34 -1.25 -0.93 118.68 121.96 1xn6 s LEU 72 Ca 0.00 -0.91 0.00 0.00 0.06 0.00 0.00 54.13 53.28 1xn6 s LEU 72 Cb 0.00 1.36 -0.02 0.00 -0.56 0.00 0.00 46.19 46.98 1xn6 s LEU 72 CO 0.00 -0.98 -0.03 -0.94 -1.06 0.00 0.00 176.35 173.34 1xn6 s SER 73 N -3.00 0.26 -0.13 1.48 1.04 -0.34 -3.44 113.70 109.57 1xn6 s SER 73 Ca 0.20 -0.45 -0.24 0.00 0.48 0.00 0.00 55.95 55.95 1xn6 s SER 73 Cb 0.02 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.28 1xn6 s SER 73 CO 0.04 -0.26 0.59 0.72 0.98 0.00 0.00 173.24 175.31 1xn6 s PHE 74 N -1.29 -0.59 0.52 5.02 -0.71 -1.24 0.60 117.98 120.30 1xn6 s PHE 74 Ca -0.14 1.24 -0.01 0.00 -1.04 0.00 0.00 56.93 56.98 1xn6 s PHE 74 Cb -0.09 0.27 0.01 0.00 -1.21 0.00 0.00 43.02 42.01 1xn6 s PHE 74 CO -0.01 -0.43 0.77 -1.54 -1.34 0.00 0.00 175.22 172.67 1xn6 s SER 75 N -0.47 5.58 -0.23 1.98 1.04 0.17 -2.61 113.70 119.16 1xn6 s SER 75 Ca -0.06 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.72 1xn6 s SER 75 Cb -0.03 -1.39 0.05 0.00 0.10 0.00 0.00 66.02 64.74 1xn6 s SER 75 CO 0.05 -0.94 -0.14 0.86 0.98 0.00 0.00 173.24 174.04 1xn6 s TRP 76 N -2.75 3.10 1.00 5.02 -0.11 0.20 -1.74 118.94 123.65 1xn6 s TRP 76 Ca 0.52 -2.08 -0.17 0.00 1.22 0.00 0.00 56.10 55.60 1xn6 s TRP 76 Cb -0.10 -1.93 0.22 0.00 -1.50 0.00 0.00 33.47 30.16 1xn6 s TRP 76 CO 0.40 -0.85 1.31 -0.51 -4.62 0.00 0.00 176.95 172.68 1xn6 s ASP 77 N 1.17 2.81 -1.58 5.86 1.11 0.50 -1.08 116.67 125.45 1xn6 s ASP 77 Ca -0.04 0.26 -0.20 0.00 0.18 0.00 0.00 52.55 52.75 1xn6 s ASP 77 Cb -0.18 -0.29 0.20 0.00 1.07 0.00 0.00 42.92 43.73 1xn6 s ASP 77 CO -0.08 -2.92 0.51 0.41 1.18 0.00 0.00 175.17 174.27 1xn6 n THR 78 N -3.89 -0.04 0.13 -1.27 -1.04 -1.26 -4.17 114.28 102.73 1xn6 n THR 78 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1xn6 n THR 78 Cb 0.59 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 -2.32 -2.33 -0.29 8.00 8.00 -1.25 -4.95 116.55 121.41 1xn6 n ASP 79 Ca 0.10 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.27 1xn6 n ASP 79 Cb 0.46 2.36 0.00 0.00 -0.02 0.00 0.00 41.12 43.92 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 -1.33 0.73 3.27 0.44 0.00 -0.24 -4.76 105.19 103.30 1xn6 n GLY 80 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.89 1.39 -0.01 1.61 0.51 -1.13 -4.79 118.94 114.64 1xn6 s TRP 81 Ca 0.00 -1.23 0.00 0.00 -2.12 0.00 0.00 56.10 52.75 1xn6 s TRP 81 Cb 0.00 -0.78 0.02 0.00 -0.81 0.00 0.00 33.47 31.90 1xn6 s TRP 81 CO 0.00 -0.42 0.01 0.08 -0.51 0.00 0.00 176.95 176.11 1xn6 s VAL 82 N -3.88 0.01 -0.15 4.03 1.01 -1.26 0.58 120.40 120.76 1xn6 s VAL 82 Ca 0.37 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1xn6 s VAL 82 Cb 0.07 -0.08 0.04 0.00 0.00 0.00 0.00 36.38 36.41 1xn6 s VAL 82 CO 0.12 0.06 -0.05 -0.69 0.00 0.00 0.00 175.10 174.55 1xn6 s VAL 83 N 0.58 1.00 -0.09 2.92 1.01 -1.07 -2.30 120.40 122.45 1xn6 s VAL 83 Ca -0.05 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1xn6 s VAL 83 Cb -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1xn6 s VAL 83 CO -0.02 0.17 -0.20 -0.55 0.00 0.00 0.00 175.10 174.51 1xn6 s SER 84 N 1.69 2.64 -0.32 3.32 0.15 0.63 -3.61 113.70 118.20 1xn6 s SER 84 Ca 0.02 -0.47 -0.08 0.00 0.70 0.00 0.00 55.95 56.12 1xn6 s SER 84 Cb -0.15 -1.21 0.02 0.00 -1.71 0.00 0.00 66.02 62.98 1xn6 s SER 84 CO -0.08 0.12 0.12 -0.36 1.20 0.00 0.00 173.24 174.24 1xn6 s PHE 85 N 0.45 3.20 0.38 3.44 0.08 -1.22 -0.79 117.98 123.52 1xn6 s PHE 85 Ca -0.17 -1.10 -0.09 0.00 0.12 0.00 0.00 56.93 55.69 1xn6 s PHE 85 Cb -0.17 -2.30 -0.06 0.00 -0.57 0.00 0.00 43.02 39.92 1xn6 s PHE 85 CO 0.07 -0.63 0.72 -0.51 -0.10 0.00 0.00 175.22 174.77 1xn6 s ASP 86 N 1.48 6.50 -0.00 1.36 1.11 -0.45 -3.76 116.67 122.91 1xn6 s ASP 86 Ca 0.01 1.03 0.00 0.00 0.18 0.00 0.00 52.55 53.78 1xn6 s ASP 86 Cb -0.18 -2.28 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1xn6 s ASP 86 CO 0.04 -0.36 -0.01 -0.76 1.18 0.00 0.00 175.17 175.26 1xn6 s LEU 87 N -3.81 1.94 -0.07 1.23 1.02 -1.01 -2.99 118.68 114.99 1xn6 s LEU 87 Ca 0.49 -0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.64 1xn6 s LEU 87 Cb -0.10 -0.05 0.02 0.00 0.02 0.00 0.00 46.19 46.08 1xn6 s LEU 87 CO 0.31 0.00 -0.07 -0.75 0.02 0.00 0.00 176.35 175.87 1xn6 s LYS 88 N 0.05 1.18 -0.51 1.70 2.20 -0.87 -4.80 119.74 118.69 1xn6 s LYS 88 Ca -0.00 -0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.13 1xn6 s LYS 88 Cb -0.01 -1.17 0.02 0.00 -1.51 0.00 0.00 37.83 35.17 1xn6 s LYS 88 CO -0.00 -0.12 1.27 0.34 -0.36 0.00 0.00 175.35 176.48 1xn6 s ASP 89 N 1.16 6.42 -0.22 1.43 2.15 -1.26 -1.61 116.67 124.73 1xn6 s ASP 89 Ca -0.07 0.42 -0.10 0.00 0.43 0.00 0.00 52.55 53.23 1xn6 s ASP 89 Cb -0.14 -2.55 -0.18 0.00 -0.30 0.00 0.00 42.92 39.75 1xn6 s ASP 89 CO -0.01 -1.45 -0.02 0.18 -0.17 0.00 0.00 175.17 173.70 1xn6 n LEU 90 N 8.57 2.34 0.00 -1.34 4.77 -1.14 -4.98 117.00 125.22 1xn6 n LEU 90 Ca 0.12 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1xn6 n LEU 90 Cb 0.49 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1xn6 n LEU 90 CO 0.71 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 1xn6 n GLY 91 N 1.71 -0.89 2.32 -0.72 0.00 -0.55 -4.93 105.19 102.13 1xn6 n GLY 91 Ca -0.42 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.32 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 -3.59 -1.45 1.61 9.92 -1.26 0.19 116.55 121.97 1xn6 n ASP 92 Ca 0.00 0.23 -0.12 0.00 -0.53 0.00 0.00 54.79 54.37 1xn6 n ASP 92 Cb 0.00 -3.13 0.00 0.00 -0.64 0.00 0.00 41.12 37.36 1xn6 n ASP 92 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1xn6 n ASN 93 N -1.47 -3.80 -4.24 -2.24 5.15 -1.26 -4.92 115.26 102.49 1xn6 n ASN 93 Ca -0.13 -0.06 -0.20 0.00 -0.60 0.00 0.00 54.58 53.59 1xn6 n ASN 93 Cb 0.56 -2.92 -0.12 0.00 -0.53 0.00 0.00 39.78 36.77 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 -4.76 1.00 -0.07 1.20 1.02 0.51 0.16 119.74 118.78 1xn6 s LYS 94 Ca 0.06 -1.12 -0.14 0.00 0.02 0.00 0.00 55.97 54.78 1xn6 s LYS 94 Cb -0.02 -1.05 0.03 0.00 -0.52 0.00 0.00 37.83 36.26 1xn6 s LYS 94 CO 0.07 0.23 0.35 0.99 -0.92 0.00 0.00 175.35 176.07 1xn6 s THR 95 N -1.52 0.03 -0.19 2.17 2.01 -0.43 -1.48 115.64 116.23 1xn6 s THR 95 Ca 0.05 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 1xn6 s THR 95 Cb -0.08 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1xn6 s THR 95 CO 0.03 -0.13 0.58 -0.70 -0.69 0.00 0.00 174.62 173.72 1xn6 s GLU 96 N -0.58 4.22 -0.17 4.92 2.12 -0.64 -2.35 118.70 126.22 1xn6 s GLU 96 Ca -0.07 0.54 -0.05 0.00 0.36 0.00 0.00 54.97 55.75 1xn6 s GLU 96 Cb -0.04 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1xn6 s GLU 96 CO 0.03 -0.17 0.00 0.12 -0.54 0.00 0.00 175.26 174.70 1xn6 s PHE 97 N 1.69 3.10 -0.25 5.30 2.19 0.16 -2.06 117.98 128.11 1xn6 s PHE 97 Ca 0.27 -0.21 -0.01 0.00 0.33 0.00 0.00 56.93 57.31 1xn6 s PHE 97 Cb -0.16 -2.02 0.08 0.00 -1.31 0.00 0.00 43.02 39.61 1xn6 s PHE 97 CO 0.10 -0.02 0.05 0.99 1.83 0.00 0.00 175.22 178.17 1xn6 s THR 98 N 0.49 0.83 -0.30 0.12 2.01 -1.16 -0.38 115.64 117.25 1xn6 s THR 98 Ca -0.01 -1.01 -0.22 0.00 0.31 0.00 0.00 61.69 60.77 1xn6 s THR 98 Cb -0.14 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1xn6 s THR 98 CO 0.02 -0.38 0.70 -0.22 -0.69 0.00 0.00 174.62 174.04 1xn6 s LEU 99 N 1.68 4.12 -0.26 4.42 0.20 -1.05 -1.34 118.68 126.46 1xn6 s LEU 99 Ca 0.03 0.53 -0.02 0.00 0.69 0.00 0.00 54.13 55.35 1xn6 s LEU 99 Cb -0.17 -2.92 0.03 0.00 -0.43 0.00 0.00 46.19 42.69 1xn6 s LEU 99 CO -0.15 -0.53 -0.04 -0.63 -0.29 0.00 0.00 176.35 174.71 1xn6 s ILE 100 N 2.75 3.04 -0.17 6.68 -1.09 0.03 -1.52 121.20 130.92 1xn6 s ILE 100 Ca 0.28 -1.01 -0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1xn6 s ILE 100 Cb -0.15 -2.57 0.05 0.00 -1.58 0.00 0.00 42.46 38.22 1xn6 s ILE 100 CO 0.12 0.15 -0.00 -2.28 -1.23 0.00 0.00 174.94 171.70 1xn6 s HIS 101 N 1.34 1.23 0.00 3.97 2.46 -0.79 -0.26 115.29 123.24 1xn6 s HIS 101 Ca 0.00 -0.85 0.00 0.00 0.47 0.00 0.00 55.06 54.68 1xn6 s HIS 101 Cb -0.17 -1.10 0.00 0.00 -0.13 0.00 0.00 32.58 31.18 1xn6 s HIS 101 CO -0.03 -0.57 0.00 0.41 -2.47 0.00 0.00 174.74 172.08 1xn6 n GLY 102 N 5.00 4.22 0.00 1.59 0.00 -0.97 -2.08 105.19 112.93 1xn6 n GLY 102 Ca -0.10 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 5.00 3.65 4.01 -0.02 0.00 -1.26 -3.98 105.19 112.59 1xn6 n GLY 103 Ca 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 1xn6 n GLY 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1xn6 s TRP 104 N 0.00 2.71 0.00 1.61 -2.14 -1.26 -4.96 118.94 114.90 1xn6 s TRP 104 Ca 0.00 -0.42 0.00 0.00 2.66 0.00 0.00 56.10 58.34 1xn6 s TRP 104 Cb 0.00 -2.36 0.00 0.00 -3.10 0.00 0.00 33.47 28.01 1xn6 s TRP 104 CO 0.00 -0.46 0.00 1.63 -2.66 0.00 0.00 176.95 175.46 1xn6 n LYS 105 N -1.87 0.00 -3.36 3.25 4.76 -1.26 -4.83 118.16 114.85 1xn6 n LYS 105 Ca 0.08 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.15 1xn6 n LYS 105 Cb 0.59 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.72 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1xn6 s HIS 106 N -0.94 3.75 -0.86 2.13 3.76 -1.26 0.11 115.29 121.99 1xn6 s HIS 106 Ca 0.00 1.15 -0.25 0.00 -0.15 0.00 0.00 55.06 55.81 1xn6 s HIS 106 Cb 0.00 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.28 1xn6 s HIS 106 CO 0.00 0.58 1.65 -1.25 -0.85 0.00 0.00 174.74 174.87 1xn6 s PRO 107 N -1.25 3.02 0.00 8.40 0.04 -1.26 -3.25 135.00 140.71 1xn6 s PRO 107 Ca 0.29 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1xn6 s PRO 107 Cb -0.18 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1xn6 s PRO 107 CO 0.17 -2.65 0.00 -3.47 0.04 0.00 0.00 177.00 171.09 1xn6 n ASP 108 N 11.24 0.00 -4.34 6.66 2.03 -1.26 -5.03 116.55 125.86 1xn6 n ASP 108 Ca 0.27 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.25 1xn6 n ASP 108 Cb 0.50 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 41.01 1xn6 n ASP 108 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xn6 n GLU 109 N 0.00 -0.47 -3.97 -0.67 1.02 -1.20 -4.76 120.64 110.59 1xn6 n GLU 109 Ca 0.00 -0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 56.91 1xn6 n GLU 109 Cb 0.00 -1.72 -0.13 0.00 -0.02 0.00 0.00 31.44 29.57 1xn6 n GLU 109 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xn6 s ILE 110 N -2.32 0.15 0.24 -3.67 -1.09 -1.26 -3.66 121.20 109.59 1xn6 s ILE 110 Ca 0.54 -0.30 0.06 0.00 -2.23 0.00 0.00 60.65 58.72 1xn6 s ILE 110 Cb -0.19 -0.17 -0.03 0.00 -1.58 0.00 0.00 42.46 40.49 1xn6 s ILE 110 CO 0.69 -0.10 0.30 -0.76 -1.23 0.00 0.00 174.94 173.84 1xn6 s LEU 111 N -0.42 4.15 1.04 2.97 1.02 -1.26 -5.00 118.68 121.18 1xn6 s LEU 111 Ca -0.03 -0.03 -0.16 0.00 0.02 0.00 0.00 54.13 53.92 1xn6 s LEU 111 Cb -0.03 -2.69 0.22 0.00 0.02 0.00 0.00 46.19 43.71 1xn6 s LEU 111 CO -0.00 -0.05 1.20 -2.16 0.02 0.00 0.00 176.35 175.36 1xn6 s PRO 112 N -3.87 0.04 0.00 1.29 0.04 -1.26 -1.23 135.00 130.02 1xn6 s PRO 112 Ca 0.34 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1xn6 s PRO 112 Cb -0.09 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1xn6 s PRO 112 CO 0.28 -2.86 0.00 1.63 0.04 0.00 0.00 177.00 176.09 1xn6 n LYS 113 N -4.14 0.00 0.20 4.56 5.02 -1.26 -3.64 118.16 118.90 1xn6 n LYS 113 Ca 0.13 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.27 1xn6 n LYS 113 Cb 0.59 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.52 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn6 h ALA 114 N -0.08 -0.50 -5.63 7.82 0.00 -1.94 -3.48 119.26 115.45 1xn6 h ALA 114 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1xn6 h ALA 114 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xn6 h ALA 114 CO 0.00 -0.69 -0.83 -1.71 0.00 0.00 0.00 179.25 176.02 1xn6 n ASN 115 N -5.23 -7.34 -3.59 0.00 5.15 -0.36 -5.04 115.26 98.85 1xn6 n ASN 115 Ca -0.10 0.61 -0.05 0.00 -0.60 0.00 0.00 54.58 54.43 1xn6 n ASN 115 Cb 0.26 -4.21 -0.03 0.00 -0.53 0.00 0.00 39.78 35.27 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xn6 s ALA 116 N -1.96 -2.03 -0.03 5.20 0.00 -1.26 -5.03 121.76 116.65 1xn6 s ALA 116 Ca 0.19 1.58 -0.37 0.00 0.00 0.00 0.00 51.96 53.37 1xn6 s ALA 116 Cb -0.04 -0.38 -0.15 0.00 0.00 0.00 0.00 23.12 22.55 1xn6 s ALA 116 CO 0.71 -0.50 1.60 1.63 0.00 0.00 0.00 175.76 179.20 1xn6 n LYS 117 N 0.12 1.53 -0.08 0.00 5.02 -1.26 -4.45 118.16 119.03 1xn6 n LYS 117 Ca -0.02 0.55 0.12 0.00 -2.02 0.00 0.00 58.31 56.94 1xn6 n LYS 117 Cb 0.59 -2.27 0.50 0.00 -0.02 0.00 0.00 35.03 33.82 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 6.40 0.37 0.54 4.39 4.64 -1.86 0.38 113.55 128.42 1xn6 h SER 118 Ca -0.47 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1xn6 h SER 118 Cb 1.30 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1xn6 h SER 118 CO 0.88 0.23 -0.27 0.77 -0.87 0.00 0.00 176.83 177.56 1xn6 h SER 119 N 0.42 0.00 -0.00 4.97 4.64 -1.89 0.13 113.55 121.82 1xn6 h SER 119 Ca 0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1xn6 h SER 119 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1xn6 h SER 119 CO -0.08 0.27 -0.00 0.40 -0.87 0.00 0.00 176.83 176.56 1xn6 h ILE 120 N 0.00 1.58 -0.55 0.95 2.04 -0.63 -2.83 117.51 118.07 1xn6 h ILE 120 Ca -0.00 -1.71 -0.05 0.00 1.00 0.00 0.00 64.86 64.10 1xn6 h ILE 120 Cb 0.62 2.74 -0.03 0.00 -0.74 0.00 0.00 36.82 39.42 1xn6 h ILE 120 CO 0.04 0.44 0.14 0.40 0.00 0.00 0.00 178.15 179.17 1xn6 h ILE 121 N -0.72 1.23 -0.48 -0.67 5.03 -1.16 0.20 117.51 120.92 1xn6 h ILE 121 Ca -0.00 -0.81 0.07 0.00 -0.12 0.00 0.00 64.86 64.00 1xn6 h ILE 121 Cb 0.73 0.65 -0.06 0.00 -3.03 0.00 0.00 36.82 35.11 1xn6 h ILE 121 CO 0.00 0.30 0.16 -0.09 -0.68 0.00 0.00 178.15 177.85 1xn6 h ARG 122 N 0.81 0.32 -0.06 2.37 2.43 -0.76 1.35 114.38 120.85 1xn6 h ARG 122 Ca 0.18 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1xn6 h ARG 122 Cb 0.29 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1xn6 h ARG 122 CO -0.00 0.21 -0.23 0.22 -1.51 0.00 0.00 179.97 178.66 1xn6 h ASP 123 N 0.33 0.30 -0.03 -3.80 3.58 -1.19 0.29 116.42 115.90 1xn6 h ASP 123 Ca 0.23 -0.64 0.03 0.00 0.42 0.00 0.00 57.03 57.07 1xn6 h ASP 123 Cb 0.25 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 1xn6 h ASP 123 CO -0.25 0.89 -0.16 0.03 -2.88 0.00 0.00 179.24 176.87 1xn6 h ARG 124 N -0.26 -0.24 -0.25 0.28 3.08 -0.17 0.53 114.38 117.34 1xn6 h ARG 124 Ca -0.01 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1xn6 h ARG 124 Cb 0.88 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1xn6 h ARG 124 CO 0.05 -0.16 -0.09 1.98 -1.07 0.00 0.00 179.97 180.68 1xn6 h MET 125 N -0.25 0.51 -0.03 0.04 4.05 0.17 -2.60 114.93 116.82 1xn6 h MET 125 Ca 0.06 -0.21 0.03 0.00 -0.28 0.00 0.00 59.70 59.31 1xn6 h MET 125 Cb 0.34 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.08 1xn6 h MET 125 CO -0.18 0.75 -0.19 1.03 0.23 0.00 0.00 176.91 178.55 1xn6 h SER 126 N 0.25 -0.55 0.08 1.39 0.87 -0.11 0.39 113.55 115.86 1xn6 h SER 126 Ca 0.06 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1xn6 h SER 126 Cb 0.58 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 1xn6 h SER 126 CO 0.03 -0.25 -0.39 1.23 -0.53 0.00 0.00 176.83 176.92 1xn6 h GLY 127 N -0.29 -1.18 0.82 5.77 0.00 0.06 1.53 103.07 109.78 1xn6 h GLY 127 Ca 0.07 0.62 0.14 0.00 0.00 0.00 0.00 47.33 48.15 1xn6 h GLY 127 CO -0.20 -0.32 0.45 -1.33 0.00 0.00 0.00 176.54 175.15 1xn6 h GLY 128 N -0.55 0.51 1.00 4.60 0.00 -1.30 0.16 103.07 107.49 1xn6 h GLY 128 Ca -0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 1xn6 h GLY 128 CO -0.21 0.05 -0.47 1.49 0.00 0.00 0.00 176.54 177.40 1xn6 h TRP 129 N 0.31 0.88 -0.05 5.60 -0.00 0.12 0.14 115.95 122.95 1xn6 h TRP 129 Ca 0.32 -0.33 0.02 0.00 -0.00 0.00 0.00 58.89 58.91 1xn6 h TRP 129 Cb 0.83 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 29.80 1xn6 h TRP 129 CO -0.00 1.11 -0.10 0.28 -0.00 0.00 0.00 178.44 179.73 1xn6 h VAL 130 N 0.39 0.73 0.21 1.49 2.07 0.48 1.42 116.25 123.05 1xn6 h VAL 130 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1xn6 h VAL 130 Cb 1.08 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1xn6 h VAL 130 CO 0.10 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.59 1xn6 h ALA 131 N 0.87 -0.28 -0.96 1.67 0.00 -1.01 0.55 119.26 120.09 1xn6 h ALA 131 Ca 0.05 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1xn6 h ALA 131 Cb 0.23 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1xn6 h ALA 131 CO -0.14 -0.58 0.59 0.82 0.00 0.00 0.00 179.25 179.94 1xn6 h ILE 132 N -0.43 0.90 0.00 0.00 2.04 -0.43 1.64 117.51 121.23 1xn6 h ILE 132 Ca -0.03 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1xn6 h ILE 132 Cb 0.33 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1xn6 h ILE 132 CO 0.05 0.17 -0.29 0.58 0.00 0.00 0.00 178.15 178.66 1xn6 h VAL 133 N 0.93 1.10 -0.78 1.67 2.07 0.23 -2.23 116.25 119.24 1xn6 h VAL 133 Ca 0.48 -1.03 -0.55 0.00 0.82 0.00 0.00 66.70 66.42 1xn6 h VAL 133 Cb 0.48 1.57 -0.43 0.00 -1.52 0.00 0.00 31.29 31.39 1xn6 h VAL 133 CO -0.27 0.28 -0.82 0.59 0.02 0.00 0.00 177.57 177.37 1xn6 n ASN 134 N -4.04 4.88 0.00 0.57 3.02 0.16 -3.56 115.26 116.29 1xn6 n ASN 134 Ca -0.02 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 1xn6 n ASN 134 Cb 0.35 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.70 0.00 -0.06 3.52 -0.58 0.51 -4.87 120.64 118.46 1xn6 n GLU 135 Ca 0.43 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 57.15 1xn6 n GLU 135 Cb 0.96 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.81 1xn6 n GLU 135 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1xn6 h LYS 136 N 0.00 0.00 -0.96 3.49 1.57 -1.66 -3.16 116.57 115.85 1xn6 h LYS 136 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1xn6 h LYS 136 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.20 1xn6 h LYS 136 CO 0.00 0.08 -0.57 -0.11 -0.57 0.00 0.00 179.45 178.28 1xn6 n LEU 137 N -4.71 -1.02 -0.31 2.94 7.94 -0.87 0.20 117.00 121.17 1xn6 n LEU 137 Ca -0.03 1.74 0.12 0.00 -1.11 0.00 0.00 56.01 56.73 1xn6 n LEU 137 Cb 0.12 -0.24 0.30 0.00 0.53 0.00 0.00 43.42 44.13 1xn6 n LEU 137 CO 0.05 -1.40 1.06 0.50 -1.11 0.00 0.00 177.39 176.49 1xn6 h LYS 138 N 0.00 0.42 0.00 1.96 3.64 -1.74 1.52 116.57 122.37 1xn6 h LYS 138 Ca 0.15 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1xn6 h LYS 138 Cb 0.39 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1xn6 h LYS 138 CO -0.90 0.28 -0.46 -0.22 -2.27 0.00 0.00 179.45 175.88 1xn6 h LYS 139 N 0.44 0.00 0.19 1.90 3.64 0.21 0.41 116.57 123.35 1xn6 h LYS 139 Ca 0.55 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.92 1xn6 h LYS 139 Cb 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1xn6 h LYS 139 CO -0.50 0.46 -0.09 0.28 -2.27 0.00 0.00 179.45 177.32 1xn6 h VAL 140 N 0.00 0.84 0.34 2.00 2.07 1.25 1.17 116.25 123.92 1xn6 h VAL 140 Ca -0.00 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1xn6 h VAL 140 Cb 0.84 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1xn6 h VAL 140 CO 0.06 0.20 -0.16 0.58 0.02 0.00 0.00 177.57 178.27 1xn6 h VAL 141 N -0.82 0.68 0.09 2.57 2.07 0.38 -3.19 116.25 118.03 1xn6 h VAL 141 Ca -0.03 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1xn6 h VAL 141 Cb 0.52 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1xn6 h VAL 141 CO 0.04 0.06 -0.04 -0.08 0.02 0.00 0.00 177.57 177.57 1xn6 h GLU 142 N -0.63 -0.12 0.00 1.57 4.22 -0.29 -3.48 114.58 115.84 1xn6 h GLU 142 Ca -0.05 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1xn6 h GLU 142 Cb 0.45 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1xn6 h GLU 142 CO 0.08 0.04 0.00 0.41 -2.18 0.00 0.00 179.01 177.36