#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 0.17 -0.07 2.12 2.12 -1.26 -5.16 118.70 116.62 1xn6 s GLU 2 Ca 0.00 0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.81 1xn6 s GLU 2 Cb 0.00 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 1xn6 s GLU 2 CO 0.00 -0.07 -0.24 -0.65 -0.54 0.00 0.00 175.26 173.76 1xn6 s GLN 3 N 2.32 2.69 -0.27 4.30 -0.21 -1.26 -5.11 119.66 122.13 1xn6 s GLN 3 Ca -0.01 -0.89 -0.29 0.00 0.02 0.00 0.00 55.36 54.19 1xn6 s GLN 3 Cb -0.04 -2.21 0.18 0.00 1.00 0.00 0.00 33.01 31.94 1xn6 s GLN 3 CO -0.16 0.33 1.30 -1.14 -2.12 0.00 0.00 175.29 173.50 1xn6 s GLN 4 N -0.03 0.15 0.00 2.91 0.74 -1.26 -5.05 119.66 117.12 1xn6 s GLN 4 Ca -0.08 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.38 1xn6 s GLN 4 Cb -0.15 0.07 0.00 0.00 1.10 0.00 0.00 33.01 34.03 1xn6 s GLN 4 CO 0.05 -0.05 0.00 0.09 -0.55 0.00 0.00 175.29 174.84 1xn6 n ASN 5 N 0.67 0.00 -4.26 6.67 3.02 -1.26 -5.14 115.26 114.95 1xn6 n ASN 5 Ca -0.03 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.15 1xn6 n ASN 5 Cb 0.59 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.80 1xn6 n ASN 5 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1xn6 n THR 6 N -0.48 0.60 -2.29 3.41 -2.24 -1.26 -4.68 114.28 107.33 1xn6 n THR 6 Ca 0.00 -0.45 -0.38 0.00 -2.27 0.00 0.00 64.05 60.95 1xn6 n THR 6 Cb 0.00 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 1xn6 n THR 6 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xn6 s LEU 7 N 3.81 4.13 0.21 3.22 1.43 0.12 -4.95 118.68 126.65 1xn6 s LEU 7 Ca 0.55 2.33 0.02 0.00 -1.03 0.00 0.00 54.13 55.99 1xn6 s LEU 7 Cb -0.35 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 1xn6 s LEU 7 CO 0.68 -0.75 0.37 0.20 0.23 0.00 0.00 176.35 177.07 1xn6 s ASN 8 N -1.22 6.35 0.03 2.29 0.01 -1.26 -4.86 114.94 116.28 1xn6 s ASN 8 Ca 0.59 0.26 -0.28 0.00 -0.71 0.00 0.00 52.86 52.72 1xn6 s ASN 8 Cb -0.30 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1xn6 s ASN 8 CO 0.37 -0.05 0.90 -1.81 -1.51 0.00 0.00 177.10 175.00 1xn6 s ASP 9 N -3.46 7.33 -1.00 -1.22 1.11 -1.26 -4.93 116.67 113.24 1xn6 s ASP 9 Ca 0.36 1.60 -0.25 0.00 0.18 0.00 0.00 52.55 54.44 1xn6 s ASP 9 Cb -0.10 -2.54 -0.13 0.00 1.07 0.00 0.00 42.92 41.23 1xn6 s ASP 9 CO 0.30 -0.14 2.09 -0.63 1.18 0.00 0.00 175.17 177.97 1xn6 s ILE 10 N 0.50 3.27 0.03 0.77 1.01 -1.20 -4.85 121.20 120.72 1xn6 s ILE 10 Ca 0.46 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.52 1xn6 s ILE 10 Cb -0.21 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1xn6 s ILE 10 CO 0.26 -0.52 0.73 -0.75 0.00 0.00 0.00 174.94 174.67 1xn6 s LYS 11 N 7.67 4.46 -0.41 2.79 2.20 -1.25 -3.55 119.74 131.65 1xn6 s LYS 11 Ca 0.78 1.00 0.02 0.00 -0.36 0.00 0.00 55.97 57.40 1xn6 s LYS 11 Cb -0.06 -3.36 0.13 0.00 -1.51 0.00 0.00 37.83 33.03 1xn6 s LYS 11 CO 0.10 0.30 0.22 -0.65 -0.36 0.00 0.00 175.35 174.95 1xn6 s GLN 12 N -0.07 1.13 -0.27 4.03 -0.21 -0.09 -4.94 119.66 119.24 1xn6 s GLN 12 Ca 0.37 -1.83 -0.21 0.00 0.02 0.00 0.00 55.36 53.71 1xn6 s GLN 12 Cb -0.20 -2.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.63 1xn6 s GLN 12 CO 0.22 -1.15 0.68 0.99 -2.12 0.00 0.00 175.29 173.90 1xn6 s THR 13 N 0.57 4.93 0.04 -0.19 2.01 -1.26 -2.24 115.64 119.50 1xn6 s THR 13 Ca 0.17 1.13 -0.09 0.00 0.31 0.00 0.00 61.69 63.21 1xn6 s THR 13 Cb -0.24 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1xn6 s THR 13 CO -0.02 -0.06 0.18 -0.51 -0.69 0.00 0.00 174.62 173.52 1xn6 s ILE 14 N 2.64 0.11 -0.21 1.82 2.07 0.65 -5.00 121.20 123.27 1xn6 s ILE 14 Ca 0.28 -0.89 -0.03 0.00 -1.41 0.00 0.00 60.65 58.60 1xn6 s ILE 14 Cb -0.15 -0.87 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 1xn6 s ILE 14 CO 0.10 -0.49 -0.07 -0.69 -1.91 0.00 0.00 174.94 171.87 1xn6 s VAL 15 N -2.46 3.19 0.15 4.00 1.01 -1.26 0.20 120.40 125.22 1xn6 s VAL 15 Ca -0.06 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1xn6 s VAL 15 Cb -0.02 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1xn6 s VAL 15 CO -0.03 0.45 0.04 -0.36 0.00 0.00 0.00 175.10 175.19 1xn6 s PHE 16 N 1.33 2.97 -1.31 5.22 0.08 -1.06 -4.99 117.98 120.22 1xn6 s PHE 16 Ca 0.04 -0.08 -0.14 0.00 0.12 0.00 0.00 56.93 56.87 1xn6 s PHE 16 Cb -0.14 -1.45 0.11 0.00 -0.57 0.00 0.00 43.02 40.96 1xn6 s PHE 16 CO -0.04 0.51 1.79 -1.71 -0.10 0.00 0.00 175.22 175.68 1xn6 n ASN 17 N -0.02 4.81 -3.44 1.36 2.85 -1.26 -2.57 115.26 116.99 1xn6 n ASN 17 Ca -0.09 -2.95 -0.06 0.00 -0.11 0.00 0.00 54.58 51.36 1xn6 n ASN 17 Cb 0.54 -1.64 0.00 0.00 1.24 0.00 0.00 39.78 39.93 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 2.64 -1.23 0.25 5.20 0.00 0.32 -4.79 121.76 124.15 1xn6 s ALA 18 Ca 0.47 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 1xn6 s ALA 18 Cb 0.05 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1xn6 s ALA 18 CO 0.01 -1.03 0.46 -1.12 0.00 0.00 0.00 175.76 174.08 1xn6 s SER 19 N -3.07 6.37 0.30 0.00 0.01 -1.25 -1.87 113.70 114.21 1xn6 s SER 19 Ca 0.15 0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.89 1xn6 s SER 19 Cb -0.04 -2.03 0.62 0.00 0.21 0.00 0.00 66.02 64.78 1xn6 s SER 19 CO 0.07 -0.13 1.85 -0.29 0.41 0.00 0.00 173.24 175.15 1xn6 h ILE 20 N 1.31 0.90 -0.20 1.44 2.10 -1.89 0.39 117.51 121.56 1xn6 h ILE 20 Ca -0.49 -0.31 -0.10 0.00 1.08 0.00 0.00 64.86 65.04 1xn6 h ILE 20 Cb 1.20 -0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1xn6 h ILE 20 CO 0.66 0.17 -0.30 1.56 -1.08 0.00 0.00 178.15 179.15 1xn6 h GLN 21 N 0.92 0.39 0.35 2.19 1.08 -1.93 0.87 115.11 118.97 1xn6 h GLN 21 Ca 0.48 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.51 1xn6 h GLN 21 Cb 0.53 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1xn6 h GLN 21 CO -0.24 0.65 -0.17 -0.22 -0.95 0.00 0.00 178.83 177.90 1xn6 h LYS 22 N 0.34 -0.45 -0.78 1.46 3.64 -0.97 -2.24 116.57 117.56 1xn6 h LYS 22 Ca 0.05 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1xn6 h LYS 22 Cb 0.70 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 1xn6 h LYS 22 CO 0.05 -0.17 0.51 0.28 -2.27 0.00 0.00 179.45 177.86 1xn6 h VAL 23 N -1.01 0.87 -0.42 2.00 2.07 -0.40 0.13 116.25 119.49 1xn6 h VAL 23 Ca -0.05 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1xn6 h VAL 23 Cb 0.50 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1xn6 h VAL 23 CO 0.08 0.11 0.25 -0.25 0.02 0.00 0.00 177.57 177.78 1xn6 h TRP 24 N 0.60 0.47 -0.29 1.57 2.91 -0.79 0.10 115.95 120.52 1xn6 h TRP 24 Ca 0.37 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.47 1xn6 h TRP 24 Cb 0.63 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 1xn6 h TRP 24 CO -0.00 0.28 0.20 1.03 -1.03 0.00 0.00 178.44 178.92 1xn6 h SER 25 N 0.51 0.10 0.84 2.65 0.87 -0.12 0.75 113.55 119.15 1xn6 h SER 25 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1xn6 h SER 25 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1xn6 h SER 25 CO -0.07 0.07 0.00 0.52 -0.53 0.00 0.00 176.83 176.81 1xn6 n VAL 26 N -4.47 0.42 -2.58 2.23 0.31 -0.04 -2.43 118.33 111.77 1xn6 n VAL 26 Ca 0.03 0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 64.30 1xn6 n VAL 26 Cb 0.28 -0.71 0.02 0.00 -0.91 0.00 0.00 33.84 32.53 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 -1.57 1.57 0.00 2.52 0.24 0.25 -4.08 118.33 117.26 1xn6 n VAL 27 Ca 0.05 -3.72 0.00 0.00 -2.04 0.00 0.00 64.34 58.64 1xn6 n VAL 27 Cb 0.28 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 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 -0.30 0.00 -4.78 -1.34 3.41 -0.72 -4.92 113.62 104.97 1xn6 n SER 28 Ca 0.21 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.51 1xn6 n SER 28 Cb 0.78 0.20 0.08 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 -1.47 3.49 -0.08 6.66 -4.23 -1.02 -4.67 115.64 114.32 1xn6 s THR 29 Ca 0.00 0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 1xn6 s THR 29 Cb 0.00 -3.04 -0.29 0.00 1.34 0.00 0.00 72.50 70.51 1xn6 s THR 29 CO 0.00 -0.62 0.58 0.00 -0.54 0.00 0.00 174.62 174.04 1xn6 h ALA 30 N -0.95 0.20 0.07 3.99 0.00 -1.90 -2.92 119.26 117.73 1xn6 h ALA 30 Ca -0.44 -1.15 -0.00 0.00 0.00 0.00 0.00 54.91 53.32 1xn6 h ALA 30 Cb 1.23 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1xn6 h ALA 30 CO 0.53 0.97 -0.03 1.49 0.00 0.00 0.00 179.25 182.21 1xn6 h GLU 31 N -0.08 -0.09 0.10 0.00 4.22 -1.94 0.12 114.58 116.92 1xn6 h GLU 31 Ca -0.34 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.12 1xn6 h GLU 31 Cb 1.95 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.20 1xn6 h GLU 31 CO 0.11 0.29 -0.14 0.78 -2.18 0.00 0.00 179.01 177.87 1xn6 h GLY 32 N -0.48 -0.26 0.90 1.92 0.00 -1.87 -0.98 103.07 102.30 1xn6 h GLY 32 Ca -0.01 0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1xn6 h GLY 32 CO 0.02 -0.14 0.26 -2.22 0.00 0.00 0.00 176.54 174.45 1xn6 h ILE 33 N -0.29 1.05 -0.01 2.60 2.04 -1.56 0.15 117.51 121.50 1xn6 h ILE 33 Ca 0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1xn6 h ILE 33 Cb 0.30 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1xn6 h ILE 33 CO -0.07 0.10 0.13 0.00 0.00 0.00 0.00 178.15 178.31 1xn6 h ALA 34 N 1.19 1.16 -0.21 1.87 0.00 -0.34 0.82 119.26 123.76 1xn6 h ALA 34 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xn6 h ALA 34 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xn6 h ALA 34 CO -0.08 -0.14 0.00 0.45 0.00 0.00 0.00 179.25 179.48 1xn6 n SER 35 N -3.04 1.60 -2.44 0.00 2.88 0.53 -3.74 113.62 109.41 1xn6 n SER 35 Ca -0.02 -2.09 -0.03 0.00 -1.33 0.00 0.00 58.87 55.39 1xn6 n SER 35 Cb 0.20 -0.28 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.17 -0.61 0.00 0.66 4.27 0.27 -4.50 117.44 117.71 1xn6 n TRP 36 Ca 0.08 -0.75 0.00 0.00 -3.89 0.00 0.00 57.50 52.94 1xn6 n TRP 36 Cb 0.30 1.12 0.00 0.00 -1.36 0.00 0.00 31.31 31.37 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 -0.49 -0.76 0.00 -2.67 7.35 -0.06 -4.86 117.46 115.97 1xn6 n PHE 37 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 1xn6 n PHE 37 Cb 0.65 0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.63 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 -1.59 0.00 -2.39 -4.13 2.81 -1.25 -5.01 117.12 105.57 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 4.02 0.15 0.03 0.04 -1.26 -3.94 135.00 132.04 1xn6 s PRO 39 Ca 0.00 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.39 1xn6 s PRO 39 Cb 0.00 -3.85 0.04 0.00 0.04 0.00 0.00 34.50 30.72 1xn6 s PRO 39 CO 0.00 -0.98 0.49 0.27 0.04 0.00 0.00 177.00 176.82 1xn6 n ASN 40 N 7.32 -1.04 -3.06 6.66 6.94 -1.26 -2.61 115.26 128.20 1xn6 n ASN 40 Ca 0.15 -1.64 -0.27 0.00 -0.02 0.00 0.00 54.58 52.80 1xn6 n ASN 40 Cb 0.46 1.72 -0.05 0.00 -2.36 0.00 0.00 39.78 39.55 1xn6 n ASN 40 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1xn6 n ASP 41 N -1.10 4.24 -3.45 0.53 2.03 -1.26 -4.78 116.55 112.77 1xn6 n ASP 41 Ca -0.03 -3.62 -0.31 0.00 0.52 0.00 0.00 54.79 51.35 1xn6 n ASP 41 Cb 0.31 -0.59 0.02 0.00 -0.72 0.00 0.00 41.12 40.14 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 0.03 -2.95 -3.79 -0.67 -0.00 -1.26 -4.93 117.46 103.89 1xn6 n PHE 42 Ca 0.31 0.26 -0.14 0.00 -0.00 0.00 0.00 57.45 57.88 1xn6 n PHE 42 Cb 0.40 -1.33 -0.15 0.00 -0.00 0.00 0.00 39.48 38.40 1xn6 n PHE 42 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1xn6 s VAL 43 N -1.65 -0.04 -1.13 -2.13 0.11 -1.26 -4.65 120.40 109.64 1xn6 s VAL 43 Ca 0.43 0.15 -0.09 0.00 -2.93 0.00 0.00 61.98 59.54 1xn6 s VAL 43 Cb -0.34 -0.11 0.26 0.00 -1.53 0.00 0.00 36.38 34.67 1xn6 s VAL 43 CO 0.59 0.06 1.23 -0.11 -3.33 0.00 0.00 175.10 173.54 1xn6 n LEU 44 N 3.90 5.61 -3.72 2.54 7.94 -1.26 -4.90 117.00 127.11 1xn6 n LEU 44 Ca -0.23 -4.96 -0.13 0.00 -1.11 0.00 0.00 56.01 49.58 1xn6 n LEU 44 Cb 0.53 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 1xn6 n LEU 44 CO 0.22 1.30 0.10 -1.61 -1.11 0.00 0.00 177.39 176.28 1xn6 s GLU 45 N -0.99 0.48 0.04 1.96 2.02 -1.26 -5.11 118.70 115.84 1xn6 s GLU 45 Ca 0.33 0.65 -0.30 0.00 0.02 0.00 0.00 54.97 55.66 1xn6 s GLU 45 Cb -0.07 0.19 -0.05 0.00 0.10 0.00 0.00 34.13 34.30 1xn6 s GLU 45 CO -0.04 -0.08 1.18 0.08 0.02 0.00 0.00 175.26 176.41 1xn6 s VAL 46 N 0.50 4.14 0.00 2.63 1.01 -1.26 -2.37 120.40 125.05 1xn6 s VAL 46 Ca -0.02 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1xn6 s VAL 46 Cb -0.04 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1xn6 s VAL 46 CO -0.03 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1xn6 n GLY 47 N 3.21 0.72 3.86 4.51 0.00 -1.14 -5.02 105.19 111.33 1xn6 n GLY 47 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.84 3.56 0.08 1.61 5.04 -1.00 -4.88 115.29 116.86 1xn6 s HIS 48 Ca 0.00 0.89 0.03 0.00 -1.54 0.00 0.00 55.06 54.44 1xn6 s HIS 48 Cb 0.00 -2.25 -0.03 0.00 0.04 0.00 0.00 32.58 30.34 1xn6 s HIS 48 CO 0.00 0.43 -0.08 -1.83 -2.34 0.00 0.00 174.74 170.92 1xn6 s GLU 49 N -2.14 0.74 0.21 2.88 -1.05 -1.26 -0.23 118.70 117.86 1xn6 s GLU 49 Ca 0.38 -1.09 0.03 0.00 -0.15 0.00 0.00 54.97 54.15 1xn6 s GLU 49 Cb -0.14 -0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 33.19 1xn6 s GLU 49 CO 0.19 0.04 0.21 1.97 0.95 0.00 0.00 175.26 178.62 1xn6 n PHE 50 N 0.66 -0.64 -4.37 4.83 -1.74 0.24 -4.96 117.46 111.48 1xn6 n PHE 50 Ca -0.17 -1.70 -0.30 0.00 -0.56 0.00 0.00 57.45 54.73 1xn6 n PHE 50 Cb 0.58 0.22 -0.11 0.00 1.52 0.00 0.00 39.48 41.69 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 -3.05 2.56 0.23 2.97 3.76 -1.26 -1.23 115.29 119.27 1xn6 s HIS 51 Ca 0.23 -0.25 0.07 0.00 -0.15 0.00 0.00 55.06 54.96 1xn6 s HIS 51 Cb 0.01 -1.38 -0.05 0.00 1.11 0.00 0.00 32.58 32.27 1xn6 s HIS 51 CO 0.17 0.36 -0.11 0.08 -0.85 0.00 0.00 174.74 174.39 1xn6 s VAL 52 N -1.10 1.65 -0.80 -0.90 1.01 -1.17 -4.20 120.40 114.89 1xn6 s VAL 52 Ca 0.17 -2.17 -0.13 0.00 0.00 0.00 0.00 61.98 59.86 1xn6 s VAL 52 Cb -0.11 -2.17 0.21 0.00 0.00 0.00 0.00 36.38 34.31 1xn6 s VAL 52 CO 0.09 -0.50 0.72 -1.58 0.00 0.00 0.00 175.10 173.83 1xn6 s GLN 53 N -3.69 3.46 0.25 2.72 2.00 -1.07 -3.29 119.66 120.03 1xn6 s GLN 53 Ca 0.25 -2.46 0.03 0.00 -2.00 0.00 0.00 55.36 51.17 1xn6 s GLN 53 Cb 0.01 -4.33 -0.03 0.00 0.80 0.00 0.00 33.01 29.46 1xn6 s GLN 53 CO 0.08 -1.28 0.39 0.45 -0.50 0.00 0.00 175.29 174.44 1xn6 s SER 54 N 1.98 6.32 0.35 6.67 0.15 -1.22 -4.68 113.70 123.26 1xn6 s SER 54 Ca 0.18 0.18 0.26 0.00 0.70 0.00 0.00 55.95 57.27 1xn6 s SER 54 Cb -0.12 -1.91 0.89 0.00 -1.71 0.00 0.00 66.02 63.17 1xn6 s SER 54 CO -0.08 -0.10 1.77 1.55 1.20 0.00 0.00 173.24 177.58 1xn6 h PRO 55 N 1.28 0.00 -2.27 5.44 0.13 -2.02 -3.28 132.00 131.27 1xn6 h PRO 55 Ca -0.51 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 63.99 1xn6 h PRO 55 Cb 1.22 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.96 1xn6 h PRO 55 CO 0.63 0.00 -0.31 1.19 -0.23 0.00 0.00 178.00 179.27 1xn6 n PHE 56 N -2.61 3.81 0.00 1.56 3.72 -1.26 -5.06 117.46 117.63 1xn6 n PHE 56 Ca 0.03 -3.71 0.00 0.00 -0.05 0.00 0.00 57.45 53.72 1xn6 n PHE 56 Cb 0.37 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xn6 n GLY 57 N -0.22 -1.42 3.63 1.37 0.00 -1.24 -4.81 105.19 102.51 1xn6 n GLY 57 Ca 0.34 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 3.95 -0.48 1.61 0.04 -1.26 -3.45 135.00 133.70 1xn6 s PRO 58 Ca 0.00 1.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.36 1xn6 s PRO 58 Cb 0.00 -3.88 0.13 0.00 0.04 0.00 0.00 34.50 30.79 1xn6 s PRO 58 CO 0.00 -1.08 0.30 0.45 0.04 0.00 0.00 177.00 176.72 1xn6 s SER 59 N 2.83 5.37 1.10 6.66 0.15 -1.21 -4.89 113.70 123.72 1xn6 s SER 59 Ca 0.58 -2.23 -0.18 0.00 0.70 0.00 0.00 55.95 54.81 1xn6 s SER 59 Cb -0.18 -1.88 0.26 0.00 -1.71 0.00 0.00 66.02 62.50 1xn6 s SER 59 CO 0.22 -0.53 1.23 -2.16 1.20 0.00 0.00 173.24 173.20 1xn6 s PRO 60 N 0.86 -0.47 0.08 5.44 0.04 -1.26 -3.02 135.00 136.67 1xn6 s PRO 60 Ca 0.10 -0.32 -0.10 0.00 0.04 0.00 0.00 61.00 60.73 1xn6 s PRO 60 Cb -0.23 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1xn6 s PRO 60 CO -0.03 -3.17 0.21 0.00 0.04 0.00 0.00 177.00 174.05 1xn6 s LYS 62 N -3.50 0.35 0.15 0.00 2.20 -1.20 -0.59 119.74 117.14 1xn6 s LYS 62 Ca 0.02 0.14 -0.32 0.00 -0.36 0.00 0.00 55.97 55.45 1xn6 s LYS 62 Cb 0.03 -0.98 -0.12 0.00 -1.51 0.00 0.00 37.83 35.25 1xn6 s LYS 62 CO -0.09 -0.37 1.73 0.28 -0.36 0.00 0.00 175.35 176.54 1xn6 n VAL 63 N 5.20 0.15 -0.09 4.02 0.31 0.68 -1.91 118.33 126.70 1xn6 n VAL 63 Ca -0.06 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.13 1xn6 n VAL 63 Cb 0.50 -1.89 -0.05 0.00 -0.91 0.00 0.00 33.84 31.48 1xn6 n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xn6 n LEU 64 N 4.52 1.84 -4.07 7.52 4.77 -0.50 -2.89 117.00 128.18 1xn6 n LEU 64 Ca 0.17 0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 56.56 1xn6 n LEU 64 Cb 0.33 -0.90 -0.12 0.00 -2.33 0.00 0.00 43.42 40.41 1xn6 n LEU 64 CO 0.65 -0.17 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.43 1xn6 s GLU 65 N -2.33 0.56 -0.09 3.23 2.56 -1.08 -4.68 118.70 116.88 1xn6 s GLU 65 Ca -0.21 -0.75 -0.00 0.00 0.00 0.00 0.00 54.97 54.00 1xn6 s GLU 65 Cb 0.04 -0.36 0.02 0.00 2.00 0.00 0.00 34.13 35.84 1xn6 s GLU 65 CO 0.36 0.07 -0.05 0.42 -0.56 0.00 0.00 175.26 175.50 1xn6 s ILE 66 N -1.31 0.75 -0.49 -3.70 1.01 -1.26 -1.40 121.20 114.80 1xn6 s ILE 66 Ca -0.09 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1xn6 s ILE 66 Cb -0.10 -0.81 0.20 0.00 0.01 0.00 0.00 42.46 41.76 1xn6 s ILE 66 CO 0.01 0.31 0.67 0.47 0.00 0.00 0.00 174.94 176.39 1xn6 n ASP 67 N 4.84 -2.59 -0.26 3.58 8.00 0.12 -4.99 116.55 125.25 1xn6 n ASP 67 Ca -0.13 -2.86 0.01 0.00 0.71 0.00 0.00 54.79 52.52 1xn6 n ASP 67 Cb 0.50 1.18 0.08 0.00 -0.02 0.00 0.00 41.12 42.86 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 4.91 -0.02 -2.70 -1.24 4.81 -1.98 1.26 114.58 119.62 1xn6 h GLU 68 Ca 0.07 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.99 1xn6 h GLU 68 Cb 1.04 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1xn6 h GLU 68 CO 0.16 -0.01 1.34 -0.35 -0.73 0.00 0.00 179.01 179.41 1xn6 n PRO 69 N -5.49 2.09 0.00 0.92 -0.04 -1.26 -3.98 135.00 127.24 1xn6 n PRO 69 Ca 0.10 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1xn6 n PRO 69 Cb 0.38 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 3.22 0.00 0.00 3.54 4.05 -0.46 -5.14 115.26 120.47 1xn6 n ASN 70 Ca 0.45 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.48 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 -3.59 1.20 1.44 0.42 -2.34 115.22 112.35 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 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 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 0.21 0.13 2.39 2.34 -1.25 -0.70 118.68 121.79 1xn6 s LEU 72 Ca 0.00 -0.25 0.05 0.00 0.06 0.00 0.00 54.13 53.99 1xn6 s LEU 72 Cb 0.00 1.99 -0.04 0.00 -0.56 0.00 0.00 46.19 47.58 1xn6 s LEU 72 CO 0.00 -0.87 -0.12 -0.94 -1.06 0.00 0.00 176.35 173.35 1xn6 s SER 73 N -2.78 1.86 -0.15 1.48 1.04 -0.49 -3.40 113.70 111.26 1xn6 s SER 73 Ca 0.02 -0.87 -0.20 0.00 0.48 0.00 0.00 55.95 55.38 1xn6 s SER 73 Cb 0.01 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.14 1xn6 s SER 73 CO -0.12 -0.21 0.53 0.72 0.98 0.00 0.00 173.24 175.14 1xn6 s PHE 74 N -2.52 -0.54 0.51 5.02 -0.71 -1.09 -1.42 117.98 117.24 1xn6 s PHE 74 Ca 0.11 1.21 0.01 0.00 -1.04 0.00 0.00 56.93 57.22 1xn6 s PHE 74 Cb -0.03 0.22 0.02 0.00 -1.21 0.00 0.00 43.02 42.03 1xn6 s PHE 74 CO 0.02 -0.36 0.73 -1.54 -1.34 0.00 0.00 175.22 172.73 1xn6 s SER 75 N -0.23 5.50 -0.16 1.98 1.04 -0.80 -2.41 113.70 118.62 1xn6 s SER 75 Ca -0.04 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.51 1xn6 s SER 75 Cb -0.03 -1.15 0.03 0.00 0.10 0.00 0.00 66.02 64.97 1xn6 s SER 75 CO 0.03 -0.96 -0.14 0.86 0.98 0.00 0.00 173.24 174.00 1xn6 s TRP 76 N -2.68 2.29 0.92 5.02 -0.11 -0.23 -3.27 118.94 120.89 1xn6 s TRP 76 Ca 0.54 -1.34 -0.13 0.00 1.22 0.00 0.00 56.10 56.38 1xn6 s TRP 76 Cb -0.10 -1.65 0.15 0.00 -1.50 0.00 0.00 33.47 30.37 1xn6 s TRP 76 CO 0.38 -0.70 1.17 -0.51 -4.62 0.00 0.00 176.95 172.67 1xn6 s ASP 77 N 1.45 3.42 -0.45 5.86 1.11 -0.20 0.92 116.67 128.78 1xn6 s ASP 77 Ca 0.04 0.80 0.00 0.00 0.18 0.00 0.00 52.55 53.57 1xn6 s ASP 77 Cb -0.13 -1.25 0.00 0.00 1.07 0.00 0.00 42.92 42.60 1xn6 s ASP 77 CO -0.11 -2.59 0.00 0.35 1.18 0.00 0.00 175.17 174.00 1xn6 n THR 78 N -3.77 -0.18 0.16 -1.27 -2.24 -1.26 -4.18 114.28 101.55 1xn6 n THR 78 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1xn6 n THR 78 Cb 0.60 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.11 -2.70 0.00 3.42 8.00 -1.23 -4.93 116.55 118.00 1xn6 n ASP 79 Ca -0.06 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1xn6 n ASP 79 Cb 0.45 2.65 0.00 0.00 -0.02 0.00 0.00 41.12 44.20 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 -1.15 3.27 3.74 0.44 0.00 0.26 -4.97 105.19 106.78 1xn6 n GLY 80 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1xn6 n GLY 80 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xn6 n TRP 81 N -2.00 2.26 -4.94 1.61 8.01 -1.25 -4.56 117.44 116.58 1xn6 n TRP 81 Ca 0.00 0.44 -0.30 0.00 -1.31 0.00 0.00 57.50 56.33 1xn6 n TRP 81 Cb 0.00 -2.36 -0.15 0.00 -2.01 0.00 0.00 31.31 26.79 1xn6 n TRP 81 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1xn6 s VAL 82 N -1.28 2.09 -0.01 -0.99 1.01 0.47 -1.06 120.40 120.62 1xn6 s VAL 82 Ca 0.70 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1xn6 s VAL 82 Cb -0.42 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1xn6 s VAL 82 CO 0.50 0.38 -0.04 -0.69 0.00 0.00 0.00 175.10 175.26 1xn6 s VAL 83 N -0.78 0.32 -0.04 2.92 1.01 -1.01 -0.40 120.40 122.42 1xn6 s VAL 83 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1xn6 s VAL 83 Cb -0.10 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1xn6 s VAL 83 CO 0.02 0.11 0.21 -0.55 0.00 0.00 0.00 175.10 174.89 1xn6 s SER 84 N 0.17 -0.13 -0.23 3.32 0.15 0.34 -2.66 113.70 114.65 1xn6 s SER 84 Ca -0.01 0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.79 1xn6 s SER 84 Cb -0.05 0.34 0.05 0.00 -1.71 0.00 0.00 66.02 64.65 1xn6 s SER 84 CO -0.00 -0.26 -0.12 -0.36 1.20 0.00 0.00 173.24 173.70 1xn6 s PHE 85 N -0.73 2.86 0.47 3.44 0.08 -1.22 -0.70 117.98 122.18 1xn6 s PHE 85 Ca -0.08 -1.95 -0.12 0.00 0.12 0.00 0.00 56.93 54.90 1xn6 s PHE 85 Cb -0.05 -1.81 -0.06 0.00 -0.57 0.00 0.00 43.02 40.53 1xn6 s PHE 85 CO 0.02 -0.82 0.86 -0.51 -0.10 0.00 0.00 175.22 174.67 1xn6 s ASP 86 N 1.25 6.48 -0.02 1.36 1.11 0.25 -3.92 116.67 123.17 1xn6 s ASP 86 Ca -0.04 1.26 0.01 0.00 0.18 0.00 0.00 52.55 53.96 1xn6 s ASP 86 Cb -0.18 -2.38 0.01 0.00 1.07 0.00 0.00 42.92 41.44 1xn6 s ASP 86 CO -0.07 -0.53 -0.03 -0.76 1.18 0.00 0.00 175.17 174.95 1xn6 s LEU 87 N -4.18 1.65 -0.08 1.23 1.02 -0.99 -2.74 118.68 114.60 1xn6 s LEU 87 Ca 0.53 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.61 1xn6 s LEU 87 Cb -0.10 -0.28 0.02 0.00 0.02 0.00 0.00 46.19 45.85 1xn6 s LEU 87 CO 0.36 -0.01 -0.05 -0.75 0.02 0.00 0.00 176.35 175.92 1xn6 s LYS 88 N 0.39 1.10 -0.31 1.70 2.20 -0.50 -4.80 119.74 119.52 1xn6 s LYS 88 Ca -0.04 -0.13 -0.29 0.00 -0.36 0.00 0.00 55.97 55.15 1xn6 s LYS 88 Cb -0.08 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.07 1xn6 s LYS 88 CO -0.00 -0.18 1.28 0.34 -0.36 0.00 0.00 175.35 176.43 1xn6 s ASP 89 N 1.41 6.67 -0.26 1.43 2.15 -1.26 0.15 116.67 126.96 1xn6 s ASP 89 Ca -0.02 1.15 -0.03 0.00 0.43 0.00 0.00 52.55 54.08 1xn6 s ASP 89 Cb -0.13 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 39.79 1xn6 s ASP 89 CO -0.03 -1.09 -0.26 0.18 -0.17 0.00 0.00 175.17 173.79 1xn6 n LEU 90 N 7.64 2.68 0.00 -1.34 4.77 -0.95 -4.94 117.00 124.86 1xn6 n LEU 90 Ca 0.14 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1xn6 n LEU 90 Cb 0.47 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1xn6 n LEU 90 CO 0.63 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 1xn6 n GLY 91 N 1.98 -0.47 2.25 -0.72 0.00 -0.55 -4.94 105.19 102.74 1xn6 n GLY 91 Ca -0.48 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.15 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 -3.92 -0.76 1.61 9.92 -1.26 0.19 116.55 122.33 1xn6 n ASP 92 Ca 0.00 0.25 -0.07 0.00 -0.53 0.00 0.00 54.79 54.43 1xn6 n ASP 92 Cb 0.00 -3.47 -0.01 0.00 -0.64 0.00 0.00 41.12 37.00 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 -1.21 -3.14 -4.37 -2.24 4.05 -1.26 -4.93 115.26 102.16 1xn6 n ASN 93 Ca -0.15 0.06 -0.30 0.00 0.45 0.00 0.00 54.58 54.64 1xn6 n ASN 93 Cb 0.54 -2.08 -0.14 0.00 1.23 0.00 0.00 39.78 39.33 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1xn6 s LYS 94 N -3.79 1.74 -0.02 1.20 1.02 0.51 0.12 119.74 120.51 1xn6 s LYS 94 Ca 0.00 -1.15 -0.02 0.00 0.02 0.00 0.00 55.97 54.82 1xn6 s LYS 94 Cb 0.00 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1xn6 s LYS 94 CO 0.00 0.50 0.06 0.99 -0.92 0.00 0.00 175.35 175.98 1xn6 s THR 95 N -0.88 0.01 -0.24 2.17 2.01 -0.78 -1.49 115.64 116.45 1xn6 s THR 95 Ca 0.13 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 1xn6 s THR 95 Cb -0.10 -0.12 -0.00 0.00 0.01 0.00 0.00 72.50 72.28 1xn6 s THR 95 CO 0.03 -0.05 0.87 -0.70 -0.69 0.00 0.00 174.62 174.08 1xn6 s GLU 96 N -0.14 4.20 -0.19 4.92 2.12 0.12 -2.56 118.70 127.18 1xn6 s GLU 96 Ca -0.02 1.03 -0.06 0.00 0.36 0.00 0.00 54.97 56.28 1xn6 s GLU 96 Cb -0.01 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1xn6 s GLU 96 CO 0.00 -0.53 0.03 0.12 -0.54 0.00 0.00 175.26 174.34 1xn6 s PHE 97 N 2.87 3.13 -0.21 5.30 2.19 0.13 -1.41 117.98 129.97 1xn6 s PHE 97 Ca 0.37 -0.19 -0.02 0.00 0.33 0.00 0.00 56.93 57.41 1xn6 s PHE 97 Cb -0.15 -2.08 0.06 0.00 -1.31 0.00 0.00 43.02 39.54 1xn6 s PHE 97 CO 0.07 -0.05 0.03 0.99 1.83 0.00 0.00 175.22 178.09 1xn6 s THR 98 N 0.70 0.70 -0.13 0.12 2.01 -1.11 -0.26 115.64 117.68 1xn6 s THR 98 Ca 0.01 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.13 1xn6 s THR 98 Cb -0.14 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 1xn6 s THR 98 CO 0.02 -0.24 0.34 -0.22 -0.69 0.00 0.00 174.62 173.84 1xn6 s LEU 99 N 1.77 4.28 -0.06 4.42 2.96 -0.95 -0.59 118.68 130.52 1xn6 s LEU 99 Ca -0.01 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1xn6 s LEU 99 Cb -0.17 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.07 1xn6 s LEU 99 CO -0.09 0.11 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.32 1xn6 s ILE 100 N 0.29 0.93 -0.17 6.68 1.09 0.12 -0.91 121.20 129.22 1xn6 s ILE 100 Ca 0.20 -0.36 -0.01 0.00 -1.10 0.00 0.00 60.65 59.38 1xn6 s ILE 100 Cb -0.14 -0.87 0.05 0.00 -1.06 0.00 0.00 42.46 40.44 1xn6 s ILE 100 CO 0.06 0.31 -0.03 -2.28 -0.10 0.00 0.00 174.94 172.90 1xn6 s HIS 101 N 0.74 1.54 0.47 3.97 5.65 -1.23 -0.51 115.29 125.93 1xn6 s HIS 101 Ca -0.14 -1.03 0.02 0.00 0.25 0.00 0.00 55.06 54.16 1xn6 s HIS 101 Cb -0.15 -1.24 -0.01 0.00 -1.18 0.00 0.00 32.58 30.00 1xn6 s HIS 101 CO 0.03 -0.61 0.07 0.20 -0.65 0.00 0.00 174.74 173.78 1xn6 s GLY 102 N 1.68 2.89 0.00 1.59 0.00 0.46 -3.27 107.32 110.68 1xn6 s GLY 102 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1xn6 s GLY 102 CO -0.07 -2.02 0.00 0.61 0.00 0.00 0.00 173.10 171.61 1xn6 n GLY 103 N -1.12 0.51 0.00 0.20 0.00 -1.26 0.18 105.19 103.69 1xn6 n GLY 103 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1xn6 n GLY 103 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xn6 n TRP 104 N 0.00 -2.00 0.24 1.61 7.02 -1.26 -4.85 117.44 118.20 1xn6 n TRP 104 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1xn6 n TRP 104 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1xn6 n TRP 104 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xn6 n LYS 105 N -0.60 0.00 -4.81 -0.99 5.02 -1.26 -4.97 118.16 110.56 1xn6 n LYS 105 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1xn6 n LYS 105 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 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 -1.98 2.77 0.06 2.13 3.76 -1.26 -0.70 115.29 120.07 1xn6 s HIS 106 Ca 0.00 -0.10 0.17 0.00 -0.15 0.00 0.00 55.06 54.98 1xn6 s HIS 106 Cb 0.00 -1.65 0.45 0.00 1.11 0.00 0.00 32.58 32.49 1xn6 s HIS 106 CO 0.00 0.23 1.62 -1.00 -0.85 0.00 0.00 174.74 174.75 1xn6 h PRO 107 N 5.30 0.00 0.31 8.40 0.13 -1.93 -3.27 132.00 140.94 1xn6 h PRO 107 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1xn6 h PRO 107 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xn6 h PRO 107 CO 0.51 0.44 -0.15 -0.44 -0.23 0.00 0.00 178.00 178.13 1xn6 h ASP 108 N 0.00 -0.35 -3.84 1.44 5.19 -1.96 -3.39 116.42 113.51 1xn6 h ASP 108 Ca -0.00 -0.18 -0.56 0.00 -0.62 0.00 0.00 57.03 55.66 1xn6 h ASP 108 Cb 1.09 0.09 0.15 0.00 0.18 0.00 0.00 39.33 40.84 1xn6 h ASP 108 CO 0.06 0.11 0.42 -1.84 -3.12 0.00 0.00 179.24 174.86 1xn6 n GLU 109 N -5.07 1.33 -4.46 3.56 0.28 -1.24 -4.92 120.64 110.13 1xn6 n GLU 109 Ca -0.08 0.50 -0.24 0.00 -0.16 0.00 0.00 57.16 57.17 1xn6 n GLU 109 Cb 0.26 -2.41 -0.10 0.00 1.43 0.00 0.00 31.44 30.62 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 -1.37 2.54 0.46 3.84 1.01 -1.26 -4.44 121.20 121.98 1xn6 s ILE 110 Ca 0.74 -2.26 -0.06 0.00 0.00 0.00 0.00 60.65 59.07 1xn6 s ILE 110 Cb -0.42 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1xn6 s ILE 110 CO 0.47 -0.33 0.77 -0.76 0.00 0.00 0.00 174.94 175.10 1xn6 s LEU 111 N -3.57 3.69 -0.00 2.97 1.02 -1.26 -4.97 118.68 116.56 1xn6 s LEU 111 Ca 0.31 0.97 -0.01 0.00 0.02 0.00 0.00 54.13 55.43 1xn6 s LEU 111 Cb -0.03 -3.90 -0.00 0.00 0.02 0.00 0.00 46.19 42.28 1xn6 s LEU 111 CO 0.16 -0.52 0.26 1.55 0.02 0.00 0.00 176.35 177.82 1xn6 h PRO 112 N 0.52 -0.02 0.07 1.29 0.13 -1.98 -2.88 132.00 129.13 1xn6 h PRO 112 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xn6 h PRO 112 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xn6 h PRO 112 CO 0.62 -0.01 -0.03 -0.22 -0.23 0.00 0.00 178.00 178.13 1xn6 h LYS 113 N -0.06 -0.08 -0.23 0.86 3.64 -1.96 -3.32 116.57 115.41 1xn6 h LYS 113 Ca -0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1xn6 h LYS 113 Cb 0.01 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1xn6 h LYS 113 CO 0.00 -0.06 -0.15 0.00 -2.27 0.00 0.00 179.45 176.98 1xn6 h ALA 114 N -1.94 -0.19 -0.14 5.00 0.00 -1.92 -3.47 119.26 116.61 1xn6 h ALA 114 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xn6 h ALA 114 Cb 0.07 1.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xn6 h ALA 114 CO 0.01 -0.29 -0.02 -1.71 0.00 0.00 0.00 179.25 177.24 1xn6 n ASN 115 N -3.55 -0.37 -1.14 0.00 5.15 -1.09 -5.00 115.26 109.27 1xn6 n ASN 115 Ca 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1xn6 n ASN 115 Cb 0.07 -0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xn6 n ALA 116 N -0.96 -1.65 -1.68 5.20 0.00 -1.26 -4.63 120.51 115.54 1xn6 n ALA 116 Ca 0.00 0.34 -0.53 0.00 0.00 0.00 0.00 53.44 53.26 1xn6 n ALA 116 Cb 0.03 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.76 1.55 -0.35 0.00 5.02 -1.26 -4.45 118.16 116.91 1xn6 n LYS 117 Ca 0.00 0.57 0.24 0.00 -2.02 0.00 0.00 58.31 57.10 1xn6 n LYS 117 Cb 0.21 -2.30 0.50 0.00 -0.02 0.00 0.00 35.03 33.42 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 7.15 0.47 -0.76 4.39 4.64 -1.78 1.24 113.55 128.91 1xn6 h SER 118 Ca -0.47 0.13 0.13 0.00 -0.47 0.00 0.00 61.79 61.10 1xn6 h SER 118 Cb 1.30 0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.40 1xn6 h SER 118 CO 0.92 -0.00 0.50 0.77 -0.87 0.00 0.00 176.83 178.14 1xn6 h SER 119 N 0.36 0.48 0.05 4.97 4.64 -1.87 1.50 113.55 123.69 1xn6 h SER 119 Ca 0.67 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1xn6 h SER 119 Cb 1.67 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1xn6 h SER 119 CO -0.42 0.26 -0.02 0.40 -0.87 0.00 0.00 176.83 176.18 1xn6 h ILE 120 N 0.52 1.25 -0.18 0.95 2.04 0.12 0.39 117.51 122.60 1xn6 h ILE 120 Ca 0.37 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1xn6 h ILE 120 Cb 0.70 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1xn6 h ILE 120 CO -0.13 0.26 0.08 0.40 0.00 0.00 0.00 178.15 178.76 1xn6 h ILE 121 N -0.54 1.15 -0.37 -0.67 1.08 -0.88 0.37 117.51 117.65 1xn6 h ILE 121 Ca -0.01 -0.46 0.06 0.00 -0.39 0.00 0.00 64.86 64.06 1xn6 h ILE 121 Cb 0.48 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 1xn6 h ILE 121 CO 0.01 0.15 0.08 0.03 -0.69 0.00 0.00 178.15 177.72 1xn6 h ARG 122 N 0.15 0.19 0.45 2.37 3.08 0.20 1.40 114.38 122.22 1xn6 h ARG 122 Ca 0.06 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1xn6 h ARG 122 Cb 0.16 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1xn6 h ARG 122 CO -0.01 0.13 -0.22 0.22 -1.07 0.00 0.00 179.97 179.03 1xn6 h ASP 123 N 0.20 -0.51 -0.18 7.04 1.82 -0.68 1.45 116.42 125.56 1xn6 h ASP 123 Ca 0.18 -0.06 0.05 0.00 -0.39 0.00 0.00 57.03 56.81 1xn6 h ASP 123 Cb 0.21 0.13 -0.05 0.00 0.68 0.00 0.00 39.33 40.30 1xn6 h ASP 123 CO -0.23 -0.24 -0.13 0.03 -1.61 0.00 0.00 179.24 177.05 1xn6 h ARG 124 N -0.77 -0.13 -0.12 0.28 3.08 0.07 -0.05 114.38 116.74 1xn6 h ARG 124 Ca -0.06 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1xn6 h ARG 124 Cb 0.54 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1xn6 h ARG 124 CO 0.10 -0.09 -0.30 1.98 -1.07 0.00 0.00 179.97 180.60 1xn6 h MET 125 N -0.13 0.23 0.30 0.04 4.05 0.20 -1.99 114.93 117.63 1xn6 h MET 125 Ca 0.11 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1xn6 h MET 125 Cb 0.30 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1xn6 h MET 125 CO -0.26 0.52 -0.16 1.03 0.23 0.00 0.00 176.91 178.26 1xn6 h SER 126 N 0.21 -0.39 0.54 1.39 0.87 0.33 0.20 113.55 116.70 1xn6 h SER 126 Ca 0.03 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1xn6 h SER 126 Cb 0.64 0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1xn6 h SER 126 CO 0.05 -0.27 -0.26 1.23 -0.53 0.00 0.00 176.83 177.05 1xn6 h GLY 127 N -0.43 -0.76 0.18 5.77 0.00 -0.95 0.20 103.07 107.08 1xn6 h GLY 127 Ca -0.04 0.28 0.26 0.00 0.00 0.00 0.00 47.33 47.83 1xn6 h GLY 127 CO 0.05 -0.28 0.65 -1.33 0.00 0.00 0.00 176.54 175.64 1xn6 h GLY 128 N -0.80 0.12 1.02 4.60 0.00 -1.33 0.64 103.07 107.33 1xn6 h GLY 128 Ca -0.07 -0.02 -0.25 0.00 0.00 0.00 0.00 47.33 46.98 1xn6 h GLY 128 CO 0.12 -0.01 -1.08 1.49 0.00 0.00 0.00 176.54 177.07 1xn6 h TRP 129 N 0.05 0.82 -0.80 5.60 -0.00 -0.44 0.18 115.95 121.36 1xn6 h TRP 129 Ca 0.44 -0.55 -0.00 0.00 -0.00 0.00 0.00 58.89 58.79 1xn6 h TRP 129 Cb 1.68 -0.05 -0.04 0.00 -0.00 0.00 0.00 29.16 30.75 1xn6 h TRP 129 CO -0.00 1.40 0.50 0.28 -0.00 0.00 0.00 178.44 180.62 1xn6 h VAL 130 N 0.01 1.22 0.05 1.49 2.07 0.31 1.41 116.25 122.82 1xn6 h VAL 130 Ca -0.17 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1xn6 h VAL 130 Cb 1.80 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1xn6 h VAL 130 CO 0.21 0.23 -0.03 0.00 0.02 0.00 0.00 177.57 178.00 1xn6 h ALA 131 N 1.27 -0.07 -0.84 1.67 0.00 -0.03 -1.67 119.26 119.58 1xn6 h ALA 131 Ca 0.29 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1xn6 h ALA 131 Cb -0.07 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1xn6 h ALA 131 CO -0.06 -0.20 0.55 0.82 0.00 0.00 0.00 179.25 180.36 1xn6 h ILE 132 N -0.74 1.05 -0.04 0.00 2.04 -0.45 0.85 117.51 120.21 1xn6 h ILE 132 Ca -0.01 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 1xn6 h ILE 132 Cb 0.62 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1xn6 h ILE 132 CO 0.01 0.17 -0.37 0.58 0.00 0.00 0.00 178.15 178.54 1xn6 h VAL 133 N 0.92 1.28 -0.73 1.67 2.07 0.19 -2.00 116.25 119.66 1xn6 h VAL 133 Ca 0.36 -1.34 -0.51 0.00 0.82 0.00 0.00 66.70 66.02 1xn6 h VAL 133 Cb 0.23 1.67 -0.35 0.00 -1.52 0.00 0.00 31.29 31.32 1xn6 h VAL 133 CO -0.13 0.39 -0.39 0.59 0.02 0.00 0.00 177.57 178.05 1xn6 n ASN 134 N -4.08 5.10 0.00 0.57 3.02 0.64 -3.43 115.26 117.08 1xn6 n ASN 134 Ca -0.02 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 1xn6 n ASN 134 Cb 0.42 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.81 0.00 0.00 3.52 -0.58 0.26 -4.87 120.64 118.16 1xn6 n GLU 135 Ca 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 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 -2.26 0.00 -0.36 3.49 5.02 -0.78 -2.79 118.16 120.49 1xn6 n LYS 136 Ca 0.00 0.49 0.03 0.00 -2.02 0.00 0.00 58.31 56.82 1xn6 n LYS 136 Cb 0.00 -1.01 0.10 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.98 -0.44 -0.06 -0.35 0.00 -1.12 0.19 117.00 113.23 1xn6 n LEU 137 Ca 0.00 1.67 -0.10 0.00 0.00 0.00 0.00 56.01 57.58 1xn6 n LEU 137 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 43.42 42.91 1xn6 n LEU 137 CO 0.00 -1.57 0.61 0.50 0.00 0.00 0.00 177.39 176.93 1xn6 h LYS 138 N 0.00 -0.36 -0.16 1.96 3.64 -1.71 1.48 116.57 121.42 1xn6 h LYS 138 Ca 0.42 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.78 1xn6 h LYS 138 Cb 0.66 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1xn6 h LYS 138 CO -0.98 -0.24 -0.11 0.87 -2.27 0.00 0.00 179.45 176.71 1xn6 h LYS 139 N -0.38 0.24 0.39 1.90 1.57 0.69 0.70 116.57 121.68 1xn6 h LYS 139 Ca 0.12 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1xn6 h LYS 139 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1xn6 h LYS 139 CO -0.47 0.36 -0.19 0.28 -0.57 0.00 0.00 179.45 178.87 1xn6 h VAL 140 N 0.23 0.60 0.52 0.50 2.07 0.57 1.35 116.25 122.09 1xn6 h VAL 140 Ca 0.05 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1xn6 h VAL 140 Cb 0.35 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1xn6 h VAL 140 CO 0.02 0.07 -0.25 0.58 0.02 0.00 0.00 177.57 178.01 1xn6 h VAL 141 N -0.75 0.36 -0.71 2.57 2.07 0.21 -2.96 116.25 117.05 1xn6 h VAL 141 Ca -0.05 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.17 1xn6 h VAL 141 Cb 0.52 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1xn6 h VAL 141 CO 0.09 0.05 0.47 -0.08 0.02 0.00 0.00 177.57 178.12 1xn6 h GLU 142 N -0.97 0.56 0.00 1.57 4.81 0.34 -3.48 114.58 117.41 1xn6 h GLU 142 Ca -0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1xn6 h GLU 142 Cb 0.61 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1xn6 h GLU 142 CO 0.12 0.37 0.00 0.41 -0.73 0.00 0.00 179.01 179.17