#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 0.18 0.00 0.03 4.04 -1.26 -5.19 118.70 116.50 1xn6 s GLU 2 Ca 0.00 -0.09 0.00 0.00 0.04 0.00 0.00 54.97 54.92 1xn6 s GLU 2 Cb 0.00 0.07 0.00 0.00 0.02 0.00 0.00 34.13 34.22 1xn6 s GLU 2 CO 0.00 -0.08 0.00 0.94 -1.84 0.00 0.00 175.26 174.28 1xn6 n GLN 3 N -0.30 0.00 -4.72 -4.83 7.27 -1.26 -5.17 117.38 108.38 1xn6 n GLN 3 Ca -0.04 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.75 1xn6 n GLN 3 Cb 0.61 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 33.12 1xn6 n GLN 3 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1xn6 s GLN 4 N -2.00 1.57 0.00 3.69 -1.52 -1.26 -5.01 119.66 115.14 1xn6 s GLN 4 Ca 0.00 -1.09 0.03 0.00 -1.95 0.00 0.00 55.36 52.35 1xn6 s GLN 4 Cb 0.00 -1.78 0.01 0.00 -0.22 0.00 0.00 33.01 31.02 1xn6 s GLN 4 CO 0.00 0.45 0.48 0.09 -0.25 0.00 0.00 175.29 176.06 1xn6 n ASN 5 N 1.64 0.99 -4.93 5.90 4.13 -1.26 -5.03 115.26 116.70 1xn6 n ASN 5 Ca -0.17 -0.99 -0.20 0.00 1.68 0.00 0.00 54.58 54.89 1xn6 n ASN 5 Cb 0.53 0.26 0.05 0.00 -1.54 0.00 0.00 39.78 39.08 1xn6 n ASN 5 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xn6 s THR 6 N -0.55 2.48 -0.57 3.41 2.01 -1.26 -4.55 115.64 116.62 1xn6 s THR 6 Ca 0.03 -0.82 -0.26 0.00 0.31 0.00 0.00 61.69 60.96 1xn6 s THR 6 Cb 0.03 -2.67 0.04 0.00 0.01 0.00 0.00 72.50 69.91 1xn6 s THR 6 CO 0.06 0.00 1.04 -0.76 -0.69 0.00 0.00 174.62 174.27 1xn6 s LEU 7 N -4.73 3.86 0.59 4.42 1.43 -0.44 -4.85 118.68 118.96 1xn6 s LEU 7 Ca 0.60 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 1xn6 s LEU 7 Cb -0.08 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1xn6 s LEU 7 CO 0.39 -1.34 1.09 0.20 0.23 0.00 0.00 176.35 176.92 1xn6 s ASN 8 N 2.93 5.63 0.10 2.29 -0.87 -1.26 -4.81 114.94 118.95 1xn6 s ASN 8 Ca 0.35 1.97 -0.30 0.00 -1.57 0.00 0.00 52.86 53.31 1xn6 s ASN 8 Cb -0.11 -2.55 -0.06 0.00 -0.02 0.00 0.00 41.25 38.51 1xn6 s ASN 8 CO 0.21 -1.28 1.05 -1.81 -2.57 0.00 0.00 177.10 172.70 1xn6 s ASP 9 N -2.39 7.33 -0.95 -1.22 1.01 -1.26 -4.89 116.67 114.30 1xn6 s ASP 9 Ca 0.67 1.89 -0.26 0.00 0.71 0.00 0.00 52.55 55.56 1xn6 s ASP 9 Cb -0.19 -2.59 -0.18 0.00 1.01 0.00 0.00 42.92 40.97 1xn6 s ASP 9 CO 0.34 -0.22 2.24 -0.63 0.21 0.00 0.00 175.17 177.11 1xn6 s ILE 10 N 0.34 3.03 -0.08 0.77 1.01 -1.12 -4.81 121.20 120.34 1xn6 s ILE 10 Ca 0.51 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.90 1xn6 s ILE 10 Cb -0.26 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1xn6 s ILE 10 CO 0.31 -0.06 0.60 -0.75 0.00 0.00 0.00 174.94 175.04 1xn6 s LYS 11 N 8.62 4.39 -0.52 2.79 2.20 -1.24 -2.89 119.74 133.09 1xn6 s LYS 11 Ca 0.86 0.70 0.04 0.00 -0.36 0.00 0.00 55.97 57.21 1xn6 s LYS 11 Cb -0.08 -3.43 0.16 0.00 -1.51 0.00 0.00 37.83 32.97 1xn6 s LYS 11 CO 0.13 0.14 0.36 -0.65 -0.36 0.00 0.00 175.35 174.97 1xn6 s GLN 12 N 0.61 1.52 -0.15 4.03 -0.21 0.18 -4.92 119.66 120.71 1xn6 s GLN 12 Ca 0.32 -2.48 -0.28 0.00 0.02 0.00 0.00 55.36 52.94 1xn6 s GLN 12 Cb -0.17 -2.32 -0.01 0.00 1.00 0.00 0.00 33.01 31.52 1xn6 s GLN 12 CO 0.15 -1.29 0.96 0.99 -2.12 0.00 0.00 175.29 173.98 1xn6 s THR 13 N -0.35 4.79 0.01 -0.19 2.01 -1.26 -2.30 115.64 118.35 1xn6 s THR 13 Ca 0.26 1.92 -0.15 0.00 0.31 0.00 0.00 61.69 64.03 1xn6 s THR 13 Cb -0.07 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.21 1xn6 s THR 13 CO -0.13 -0.02 0.32 -0.51 -0.69 0.00 0.00 174.62 173.58 1xn6 s ILE 14 N 2.27 0.06 -0.17 1.82 2.07 0.11 -5.00 121.20 122.37 1xn6 s ILE 14 Ca 0.44 -0.53 -0.02 0.00 -1.41 0.00 0.00 60.65 59.13 1xn6 s ILE 14 Cb -0.17 -0.73 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 1xn6 s ILE 14 CO 0.14 -0.29 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.10 1xn6 s VAL 15 N -1.74 3.33 0.24 4.00 1.01 -1.26 0.07 120.40 126.05 1xn6 s VAL 15 Ca -0.11 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1xn6 s VAL 15 Cb -0.04 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1xn6 s VAL 15 CO 0.02 0.49 -0.03 -0.36 0.00 0.00 0.00 175.10 175.22 1xn6 s PHE 16 N 0.72 2.69 -1.29 5.22 0.08 -0.99 -5.00 117.98 119.42 1xn6 s PHE 16 Ca -0.04 -0.22 -0.13 0.00 0.12 0.00 0.00 56.93 56.66 1xn6 s PHE 16 Cb -0.15 -1.22 0.13 0.00 -0.57 0.00 0.00 43.02 41.21 1xn6 s PHE 16 CO 0.02 0.59 1.75 -1.71 -0.10 0.00 0.00 175.22 175.78 1xn6 n ASN 17 N -0.64 4.91 -3.63 1.36 2.85 -1.26 -2.75 115.26 116.10 1xn6 n ASN 17 Ca -0.07 -2.98 -0.03 0.00 -0.11 0.00 0.00 54.58 51.39 1xn6 n ASN 17 Cb 0.58 -1.60 -0.00 0.00 1.24 0.00 0.00 39.78 40.00 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 2.08 -1.72 0.26 5.20 0.00 0.34 -4.76 121.76 123.15 1xn6 s ALA 18 Ca 0.45 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1xn6 s ALA 18 Cb 0.05 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1xn6 s ALA 18 CO 0.01 -1.05 0.47 -1.12 0.00 0.00 0.00 175.76 174.06 1xn6 s SER 19 N -3.08 6.38 0.40 0.00 0.01 -1.24 -1.09 113.70 115.07 1xn6 s SER 19 Ca 0.15 0.48 0.15 0.00 1.31 0.00 0.00 55.95 58.04 1xn6 s SER 19 Cb -0.01 -2.04 1.00 0.00 0.21 0.00 0.00 66.02 65.18 1xn6 s SER 19 CO 0.02 -0.14 1.85 -0.29 0.41 0.00 0.00 173.24 175.09 1xn6 h ILE 20 N 1.29 0.71 -0.35 1.44 2.10 -1.85 0.32 117.51 121.17 1xn6 h ILE 20 Ca -0.48 -0.17 -0.03 0.00 1.08 0.00 0.00 64.86 65.26 1xn6 h ILE 20 Cb 1.20 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 37.09 1xn6 h ILE 20 CO 0.66 0.09 0.11 1.56 -1.08 0.00 0.00 178.15 179.49 1xn6 h GLN 21 N 0.49 0.55 0.46 2.19 7.50 -1.94 0.38 115.11 124.74 1xn6 h GLN 21 Ca 0.47 -0.12 -0.02 0.00 0.50 0.00 0.00 58.65 59.48 1xn6 h GLN 21 Cb 1.06 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.51 1xn6 h GLN 21 CO -0.20 0.57 -0.22 -0.22 -1.50 0.00 0.00 178.83 177.26 1xn6 h LYS 22 N 0.42 -0.59 -0.67 1.46 3.11 -1.09 0.29 116.57 119.50 1xn6 h LYS 22 Ca 0.11 0.04 0.12 0.00 -2.81 0.00 0.00 60.65 58.11 1xn6 h LYS 22 Cb 0.25 0.13 -0.09 0.00 -1.00 0.00 0.00 32.23 31.53 1xn6 h LYS 22 CO -0.00 -0.29 0.23 0.28 -2.81 0.00 0.00 179.45 176.86 1xn6 h VAL 23 N -0.89 0.68 -0.42 2.00 2.07 -0.50 0.17 116.25 119.36 1xn6 h VAL 23 Ca -0.06 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1xn6 h VAL 23 Cb 0.58 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1xn6 h VAL 23 CO 0.10 0.07 0.19 -0.25 0.02 0.00 0.00 177.57 177.70 1xn6 h TRP 24 N 0.38 0.35 -0.57 1.57 2.91 -0.13 0.99 115.95 121.44 1xn6 h TRP 24 Ca 0.35 0.02 0.14 0.00 1.13 0.00 0.00 58.89 60.53 1xn6 h TRP 24 Cb 0.51 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.04 1xn6 h TRP 24 CO -0.19 0.16 0.40 1.03 -1.03 0.00 0.00 178.44 178.81 1xn6 h SER 25 N 0.39 0.16 0.08 2.65 0.87 0.15 1.40 113.55 119.24 1xn6 h SER 25 Ca 0.19 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1xn6 h SER 25 Cb 0.12 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1xn6 h SER 25 CO -0.15 0.09 0.00 0.52 -0.53 0.00 0.00 176.83 176.75 1xn6 n VAL 26 N -4.42 0.02 -2.79 2.23 0.31 0.31 -3.05 118.33 110.94 1xn6 n VAL 26 Ca 0.10 0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.43 1xn6 n VAL 26 Cb 0.53 -0.57 0.07 0.00 -0.91 0.00 0.00 33.84 32.95 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 -1.05 0.96 -2.38 2.52 0.24 0.46 -4.03 118.33 115.05 1xn6 n VAL 27 Ca 0.20 -2.49 -0.04 0.00 -2.04 0.00 0.00 64.34 59.97 1xn6 n VAL 27 Cb 0.11 1.21 0.05 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.78 -1.23 -3.36 -1.34 3.41 -0.07 -4.94 113.62 105.30 1xn6 n SER 28 Ca 0.02 -2.08 -0.13 0.00 -0.26 0.00 0.00 58.87 56.42 1xn6 n SER 28 Cb 0.82 0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 65.24 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 0.07 0.00 -0.16 6.66 -4.23 -1.25 -4.92 115.64 111.82 1xn6 s THR 29 Ca 0.05 -1.50 -0.18 0.00 -1.18 0.00 0.00 61.69 58.88 1xn6 s THR 29 Cb 0.26 -2.59 -0.23 0.00 1.34 0.00 0.00 72.50 71.28 1xn6 s THR 29 CO -0.07 0.00 0.37 0.00 -0.54 0.00 0.00 174.62 174.37 1xn6 h ALA 30 N 2.13 0.26 0.25 3.99 0.00 -1.88 -3.27 119.26 120.75 1xn6 h ALA 30 Ca -0.29 -1.17 -0.34 0.00 0.00 0.00 0.00 54.91 53.11 1xn6 h ALA 30 Cb 1.24 0.62 0.04 0.00 0.00 0.00 0.00 17.79 19.69 1xn6 h ALA 30 CO 0.39 0.82 -1.49 1.49 0.00 0.00 0.00 179.25 180.46 1xn6 h GLU 31 N -0.60 0.53 -0.59 0.00 4.81 -1.96 -1.92 114.58 114.83 1xn6 h GLU 31 Ca -0.33 -0.90 0.10 0.00 -0.13 0.00 0.00 59.36 58.09 1xn6 h GLU 31 Cb 1.55 0.34 -0.07 0.00 0.63 0.00 0.00 28.75 31.19 1xn6 h GLU 31 CO -0.07 1.43 0.20 0.78 -0.73 0.00 0.00 179.01 180.62 1xn6 h GLY 32 N 0.26 0.81 0.62 1.92 0.00 -1.84 0.51 103.07 105.35 1xn6 h GLY 32 Ca -0.26 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 1xn6 h GLY 32 CO 0.27 -0.04 -0.37 -2.22 0.00 0.00 0.00 176.54 174.18 1xn6 h ILE 33 N 0.37 1.48 -0.03 2.60 2.04 -1.66 -3.00 117.51 119.31 1xn6 h ILE 33 Ca 0.30 -1.92 0.01 0.00 1.00 0.00 0.00 64.86 64.24 1xn6 h ILE 33 Cb 0.39 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1xn6 h ILE 33 CO -0.32 0.54 0.18 0.00 0.00 0.00 0.00 178.15 178.55 1xn6 h ALA 34 N 0.32 1.26 0.00 1.87 0.00 -0.78 0.82 119.26 122.75 1xn6 h ALA 34 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xn6 h ALA 34 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xn6 h ALA 34 CO 0.07 -0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.56 1xn6 n SER 35 N -3.09 0.00 -2.68 0.00 7.64 0.17 -3.92 113.62 111.74 1xn6 n SER 35 Ca -0.02 -0.11 -0.05 0.00 1.01 0.00 0.00 58.87 59.70 1xn6 n SER 35 Cb 0.24 -0.23 0.08 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.23 -1.04 0.00 1.43 4.27 0.28 -4.66 117.44 116.48 1xn6 n TRP 36 Ca 0.10 -0.95 0.00 0.00 -3.89 0.00 0.00 57.50 52.76 1xn6 n TRP 36 Cb 0.14 1.22 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 1.15 -0.05 0.00 -2.67 7.35 -0.57 -4.90 117.46 117.78 1xn6 n PHE 37 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1xn6 n PHE 37 Cb 0.71 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.55 1xn6 n PHE 37 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1xn6 n MET 38 N -1.46 0.00 -2.41 -4.13 2.81 -1.26 -5.01 117.12 105.67 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 4.23 0.16 0.03 0.04 -1.26 -3.83 135.00 132.37 1xn6 s PRO 39 Ca 0.00 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 1xn6 s PRO 39 Cb 0.00 -3.77 0.08 0.00 0.04 0.00 0.00 34.50 30.85 1xn6 s PRO 39 CO 0.00 -0.71 1.06 0.54 0.04 0.00 0.00 177.00 177.93 1xn6 s ASN 40 N 2.02 -0.01 -0.72 6.66 4.22 -1.26 -1.07 114.94 124.78 1xn6 s ASN 40 Ca 0.55 -0.61 0.04 0.00 -2.14 0.00 0.00 52.86 50.70 1xn6 s ASN 40 Cb -0.22 0.47 0.24 0.00 1.28 0.00 0.00 41.25 43.02 1xn6 s ASN 40 CO 0.15 -0.92 0.80 -0.67 -2.04 0.00 0.00 177.10 174.42 1xn6 n ASP 41 N -1.15 4.01 -4.30 3.54 -0.08 -1.26 -4.73 116.55 112.58 1xn6 n ASP 41 Ca -0.03 -3.39 -0.42 0.00 -1.51 0.00 0.00 54.79 49.44 1xn6 n ASP 41 Cb 0.60 -0.78 -0.00 0.00 2.34 0.00 0.00 41.12 43.28 1xn6 n ASP 41 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1xn6 n PHE 42 N 1.15 -2.09 -4.03 -0.67 7.35 -1.26 -4.89 117.46 113.01 1xn6 n PHE 42 Ca 0.28 0.62 -0.20 0.00 -0.76 0.00 0.00 57.45 57.39 1xn6 n PHE 42 Cb 0.39 -1.78 -0.16 0.00 0.35 0.00 0.00 39.48 38.27 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 -1.69 0.40 -1.16 -2.13 0.11 -1.26 -4.59 120.40 110.09 1xn6 s VAL 43 Ca 0.59 -0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.57 1xn6 s VAL 43 Cb -0.63 -0.47 0.24 0.00 -1.53 0.00 0.00 36.38 33.99 1xn6 s VAL 43 CO 0.63 0.21 1.82 -0.11 -3.33 0.00 0.00 175.10 174.31 1xn6 n LEU 44 N 4.24 6.99 -3.81 2.54 7.94 -1.26 -4.92 117.00 128.72 1xn6 n LEU 44 Ca -0.23 -5.06 -0.13 0.00 -1.11 0.00 0.00 56.01 49.49 1xn6 n LEU 44 Cb 0.51 -1.31 -0.14 0.00 0.53 0.00 0.00 43.42 43.00 1xn6 n LEU 44 CO 0.21 1.76 -0.30 -1.61 -1.11 0.00 0.00 177.39 176.35 1xn6 s GLU 45 N -2.08 0.05 0.29 1.96 0.41 -1.26 -5.11 118.70 112.96 1xn6 s GLU 45 Ca 0.39 0.16 -0.29 0.00 -0.41 0.00 0.00 54.97 54.81 1xn6 s GLU 45 Cb 0.12 -0.07 -0.10 0.00 -1.78 0.00 0.00 34.13 32.30 1xn6 s GLU 45 CO -0.01 -0.07 1.37 0.08 -0.49 0.00 0.00 175.26 176.14 1xn6 s VAL 46 N 0.47 2.71 -1.71 2.63 1.01 -1.26 -1.97 120.40 122.27 1xn6 s VAL 46 Ca -0.04 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1xn6 s VAL 46 Cb -0.05 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1xn6 s VAL 46 CO -0.02 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1xn6 n GLY 47 N 1.51 0.48 3.13 4.51 0.00 -1.01 -4.91 105.19 108.90 1xn6 n GLY 47 Ca 0.03 0.00 -0.38 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 -2.74 3.61 0.50 1.61 5.04 -0.83 -4.93 115.29 117.56 1xn6 s HIS 48 Ca 0.00 -2.75 -0.19 0.00 -1.54 0.00 0.00 55.06 50.58 1xn6 s HIS 48 Cb 0.00 -3.29 -0.08 0.00 0.04 0.00 0.00 32.58 29.26 1xn6 s HIS 48 CO 0.00 -0.82 1.01 -1.83 -2.34 0.00 0.00 174.74 170.76 1xn6 s GLU 49 N -0.51 3.84 0.16 2.88 -1.05 -1.26 -4.23 118.70 118.53 1xn6 s GLU 49 Ca 0.21 1.17 0.01 0.00 -0.15 0.00 0.00 54.97 56.21 1xn6 s GLU 49 Cb -0.15 -2.11 -0.01 0.00 -0.44 0.00 0.00 34.13 31.43 1xn6 s GLU 49 CO -0.07 -0.37 0.05 1.97 0.95 0.00 0.00 175.26 177.79 1xn6 n PHE 50 N -1.27 0.07 -4.87 4.83 -1.74 -1.03 -5.01 117.46 108.44 1xn6 n PHE 50 Ca 0.08 -0.99 -0.26 0.00 -0.56 0.00 0.00 57.45 55.72 1xn6 n PHE 50 Cb 0.53 -0.01 -0.16 0.00 1.52 0.00 0.00 39.48 41.37 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 1.73 0.31 2.97 3.76 -1.26 -3.58 115.29 117.12 1xn6 s HIS 51 Ca 0.08 -0.44 0.08 0.00 -0.15 0.00 0.00 55.06 54.62 1xn6 s HIS 51 Cb 0.00 -1.15 -0.06 0.00 1.11 0.00 0.00 32.58 32.49 1xn6 s HIS 51 CO 0.05 -0.12 -0.08 0.14 -0.85 0.00 0.00 174.74 173.88 1xn6 s VAL 52 N -0.12 1.94 -0.28 -0.90 -7.23 -1.26 -4.11 120.40 108.44 1xn6 s VAL 52 Ca -0.00 -2.17 -0.03 0.00 -1.81 0.00 0.00 61.98 57.97 1xn6 s VAL 52 Cb -0.10 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.32 1xn6 s VAL 52 CO 0.01 -0.25 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.44 1xn6 s GLN 53 N -3.67 2.75 0.28 4.82 -1.52 -0.24 -4.14 119.66 117.95 1xn6 s GLN 53 Ca 0.31 -1.05 0.10 0.00 -1.95 0.00 0.00 55.36 52.77 1xn6 s GLN 53 Cb 0.03 -3.14 -0.04 0.00 -0.22 0.00 0.00 33.01 29.64 1xn6 s GLN 53 CO 0.14 -0.49 -0.02 -1.12 -0.25 0.00 0.00 175.29 173.55 1xn6 s SER 54 N 1.34 4.40 0.00 5.90 0.01 -1.26 -4.13 113.70 119.96 1xn6 s SER 54 Ca -0.01 -0.73 0.23 0.00 1.31 0.00 0.00 55.95 56.75 1xn6 s SER 54 Cb -0.18 -0.75 1.24 0.00 0.21 0.00 0.00 66.02 66.55 1xn6 s SER 54 CO -0.02 -0.03 1.76 -0.81 0.41 0.00 0.00 173.24 174.55 1xn6 n PRO 55 N -0.88 0.47 -3.24 12.44 -0.04 -1.26 -4.03 135.00 138.46 1xn6 n PRO 55 Ca -0.06 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.23 1xn6 n PRO 55 Cb 0.59 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.19 -1.58 -1.03 0.54 -0.00 -1.26 -5.10 117.46 107.84 1xn6 n PHE 56 Ca 0.13 -2.87 0.00 0.00 -0.00 0.00 0.00 57.45 54.71 1xn6 n PHE 56 Cb 0.15 0.52 0.00 0.00 -0.00 0.00 0.00 39.48 40.15 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xn6 n GLY 57 N 2.78 -3.83 3.77 7.13 0.00 -1.26 -4.90 105.19 108.89 1xn6 n GLY 57 Ca 0.27 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.73 4.42 -0.34 1.61 0.04 -1.26 -4.20 135.00 130.54 1xn6 s PRO 58 Ca 0.00 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.68 1xn6 s PRO 58 Cb 0.00 -2.88 0.11 0.00 0.04 0.00 0.00 34.50 31.77 1xn6 s PRO 58 CO 0.00 0.06 0.14 -1.12 0.04 0.00 0.00 177.00 176.12 1xn6 s SER 59 N -1.23 3.83 0.27 6.66 0.01 -1.26 -4.88 113.70 117.10 1xn6 s SER 59 Ca 0.51 -1.90 -0.30 0.00 1.31 0.00 0.00 55.95 55.57 1xn6 s SER 59 Cb -0.27 -0.84 -0.09 0.00 0.21 0.00 0.00 66.02 65.03 1xn6 s SER 59 CO 0.34 -0.37 1.08 -2.16 0.41 0.00 0.00 173.24 172.54 1xn6 s PRO 60 N 1.30 4.66 -0.09 12.44 0.04 -1.26 -4.38 135.00 147.71 1xn6 s PRO 60 Ca 0.12 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1xn6 s PRO 60 Cb -0.19 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1xn6 s PRO 60 CO -0.17 0.24 -0.09 0.00 0.04 0.00 0.00 177.00 177.02 1xn6 s LYS 62 N -0.39 3.18 0.19 0.00 2.20 -1.06 -2.48 119.74 121.38 1xn6 s LYS 62 Ca 0.05 -0.80 -0.32 0.00 -0.36 0.00 0.00 55.97 54.55 1xn6 s LYS 62 Cb -0.12 -3.33 -0.11 0.00 -1.51 0.00 0.00 37.83 32.76 1xn6 s LYS 62 CO 0.02 -0.39 1.65 0.08 -0.36 0.00 0.00 175.35 176.36 1xn6 s VAL 63 N 1.51 2.29 -0.20 4.02 1.01 -1.26 -1.35 120.40 126.41 1xn6 s VAL 63 Ca 0.03 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1xn6 s VAL 63 Cb -0.17 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.01 1xn6 s VAL 63 CO 0.02 0.02 -0.34 0.18 0.00 0.00 0.00 175.10 174.97 1xn6 n LEU 64 N 3.97 1.92 -4.25 3.92 4.77 -0.00 -2.40 117.00 124.93 1xn6 n LEU 64 Ca 0.15 0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 56.23 1xn6 n LEU 64 Cb 0.37 -0.75 -0.13 0.00 -2.33 0.00 0.00 43.42 40.58 1xn6 n LEU 64 CO 0.63 -0.03 -0.50 -0.70 -1.33 0.00 0.00 177.39 175.46 1xn6 s GLU 65 N -2.77 1.09 -0.14 3.23 2.12 -0.80 -4.67 118.70 116.76 1xn6 s GLU 65 Ca -0.31 -1.06 -0.03 0.00 0.36 0.00 0.00 54.97 53.93 1xn6 s GLU 65 Cb 0.07 -1.26 0.05 0.00 0.26 0.00 0.00 34.13 33.25 1xn6 s GLU 65 CO 0.44 0.30 0.05 0.42 -0.54 0.00 0.00 175.26 175.93 1xn6 s ILE 66 N -1.10 0.19 -0.45 -3.70 1.01 -1.26 -1.24 121.20 114.64 1xn6 s ILE 66 Ca 0.05 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1xn6 s ILE 66 Cb -0.10 -0.64 0.18 0.00 0.01 0.00 0.00 42.46 41.91 1xn6 s ILE 66 CO 0.03 -0.08 0.49 -1.81 0.00 0.00 0.00 174.94 173.57 1xn6 s ASP 67 N 2.02 0.28 0.22 3.58 1.11 0.41 -4.99 116.67 119.30 1xn6 s ASP 67 Ca 0.02 -2.53 -0.14 0.00 0.18 0.00 0.00 52.55 50.07 1xn6 s ASP 67 Cb -0.15 0.49 0.25 0.00 1.07 0.00 0.00 42.92 44.59 1xn6 s ASP 67 CO -0.07 -0.12 1.60 -0.08 1.18 0.00 0.00 175.17 177.68 1xn6 h GLU 68 N 5.40 -0.04 -2.70 8.23 4.81 -1.98 1.48 114.58 129.78 1xn6 h GLU 68 Ca 0.19 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.11 1xn6 h GLU 68 Cb 0.99 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1xn6 h GLU 68 CO 0.23 -0.03 1.35 -0.35 -0.73 0.00 0.00 179.01 179.48 1xn6 n PRO 69 N -5.47 2.10 0.00 0.92 -0.04 -1.26 -3.97 135.00 127.27 1xn6 n PRO 69 Ca 0.08 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1xn6 n PRO 69 Cb 0.37 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 -0.48 -5.13 115.26 120.46 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 -3.93 1.20 1.44 0.50 -2.00 115.22 112.42 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 0.74 0.04 2.39 2.34 -1.25 -0.44 118.68 122.49 1xn6 s LEU 72 Ca 0.00 -0.82 0.01 0.00 0.06 0.00 0.00 54.13 53.37 1xn6 s LEU 72 Cb 0.00 1.40 -0.03 0.00 -0.56 0.00 0.00 46.19 47.00 1xn6 s LEU 72 CO 0.00 -0.95 -0.05 -0.94 -1.06 0.00 0.00 176.35 173.35 1xn6 s SER 73 N -2.96 0.59 -0.08 1.48 1.04 -0.37 -3.50 113.70 109.88 1xn6 s SER 73 Ca 0.17 -0.61 -0.25 0.00 0.48 0.00 0.00 55.95 55.74 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 0.01 -0.30 0.58 0.72 0.98 0.00 0.00 173.24 175.23 1xn6 s PHE 74 N -1.82 -0.56 0.37 5.02 -0.12 -1.21 -0.82 117.98 118.83 1xn6 s PHE 74 Ca -0.09 1.06 -0.01 0.00 -0.05 0.00 0.00 56.93 57.84 1xn6 s PHE 74 Cb -0.07 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 1xn6 s PHE 74 CO -0.02 -0.50 0.60 -1.54 -0.05 0.00 0.00 175.22 173.72 1xn6 s SER 75 N -0.87 6.30 -0.21 1.98 1.04 -0.46 -2.70 113.70 118.78 1xn6 s SER 75 Ca -0.09 0.59 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 1xn6 s SER 75 Cb -0.02 -2.09 0.02 0.00 0.10 0.00 0.00 66.02 64.03 1xn6 s SER 75 CO 0.07 -0.35 -0.13 0.86 0.98 0.00 0.00 173.24 174.67 1xn6 s TRP 76 N -2.39 2.93 0.63 5.02 -0.11 0.11 -2.55 118.94 122.58 1xn6 s TRP 76 Ca 0.42 -1.60 -0.11 0.00 1.22 0.00 0.00 56.10 56.03 1xn6 s TRP 76 Cb -0.10 -1.98 0.15 0.00 -1.50 0.00 0.00 33.47 30.04 1xn6 s TRP 76 CO 0.37 -0.76 0.77 -0.25 -4.62 0.00 0.00 176.95 172.46 1xn6 n ASP 77 N 4.63 -0.36 -2.42 5.86 9.92 -0.92 -1.01 116.55 132.24 1xn6 n ASP 77 Ca -0.19 -1.19 -0.06 0.00 -0.53 0.00 0.00 54.79 52.81 1xn6 n ASP 77 Cb 0.48 -0.61 -0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1xn6 n ASP 77 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xn6 n THR 78 N -3.31 -0.30 0.00 -3.53 -2.24 -1.26 -4.17 114.28 99.47 1xn6 n THR 78 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1xn6 n THR 78 Cb 0.35 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -1.59 0.00 0.00 3.42 8.00 -1.25 -4.85 116.55 120.28 1xn6 n ASP 79 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1xn6 n ASP 79 Cb 0.55 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 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 -1.32 1.78 3.84 0.44 0.00 -0.18 -4.43 105.19 105.33 1xn6 n GLY 80 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1xn6 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn6 s TRP 81 N -2.00 2.81 -0.01 1.61 0.51 -1.16 -4.81 118.94 115.88 1xn6 s TRP 81 Ca 0.00 -0.38 0.01 0.00 -2.12 0.00 0.00 56.10 53.61 1xn6 s TRP 81 Cb 0.00 -1.90 0.00 0.00 -0.81 0.00 0.00 33.47 30.76 1xn6 s TRP 81 CO 0.00 0.11 -0.05 0.08 -0.51 0.00 0.00 176.95 176.58 1xn6 s VAL 82 N -2.38 0.43 -0.05 4.03 1.01 -0.83 0.08 120.40 122.69 1xn6 s VAL 82 Ca 0.43 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1xn6 s VAL 82 Cb -0.04 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.96 1xn6 s VAL 82 CO 0.26 0.15 -0.05 -0.69 0.00 0.00 0.00 175.10 174.77 1xn6 s VAL 83 N 0.17 0.60 -0.02 2.92 1.01 -1.10 -2.03 120.40 121.95 1xn6 s VAL 83 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1xn6 s VAL 83 Cb -0.06 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1xn6 s VAL 83 CO -0.00 0.24 -0.03 -0.55 0.00 0.00 0.00 175.10 174.76 1xn6 s SER 84 N 0.98 0.62 -0.34 3.32 0.15 -0.51 -3.32 113.70 114.60 1xn6 s SER 84 Ca -0.10 -0.08 -0.10 0.00 0.70 0.00 0.00 55.95 56.37 1xn6 s SER 84 Cb -0.14 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 1xn6 s SER 84 CO -0.00 -0.03 0.17 -0.36 1.20 0.00 0.00 173.24 174.22 1xn6 s PHE 85 N 0.58 3.21 0.47 3.44 0.08 -1.23 -1.77 117.98 122.76 1xn6 s PHE 85 Ca -0.07 -0.80 -0.14 0.00 0.12 0.00 0.00 56.93 56.04 1xn6 s PHE 85 Cb -0.10 -2.38 -0.07 0.00 -0.57 0.00 0.00 43.02 39.89 1xn6 s PHE 85 CO -0.01 -0.56 0.91 -0.51 -0.10 0.00 0.00 175.22 174.95 1xn6 s ASP 86 N 1.57 6.59 -0.06 1.36 1.11 0.17 -3.91 116.67 123.51 1xn6 s ASP 86 Ca 0.03 1.41 -0.02 0.00 0.18 0.00 0.00 52.55 54.15 1xn6 s ASP 86 Cb -0.18 -2.44 0.04 0.00 1.07 0.00 0.00 42.92 41.41 1xn6 s ASP 86 CO 0.06 -0.52 0.13 -0.76 1.18 0.00 0.00 175.17 175.26 1xn6 s LEU 87 N -3.98 0.73 -0.04 1.23 1.02 -0.85 -2.94 118.68 113.85 1xn6 s LEU 87 Ca 0.56 0.26 0.04 0.00 0.02 0.00 0.00 54.13 55.01 1xn6 s LEU 87 Cb -0.10 0.28 -0.00 0.00 0.02 0.00 0.00 46.19 46.39 1xn6 s LEU 87 CO 0.31 -0.15 -0.17 -0.75 0.02 0.00 0.00 176.35 175.61 1xn6 s LYS 88 N 1.22 1.80 -0.49 1.70 2.20 -0.93 -4.67 119.74 120.57 1xn6 s LYS 88 Ca -0.08 -0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 54.63 1xn6 s LYS 88 Cb -0.12 -1.56 0.03 0.00 -1.51 0.00 0.00 37.83 34.67 1xn6 s LYS 88 CO -0.05 0.24 1.17 0.34 -0.36 0.00 0.00 175.35 176.68 1xn6 s ASP 89 N 0.06 6.58 -0.25 1.43 2.15 -1.26 -1.94 116.67 123.44 1xn6 s ASP 89 Ca -0.04 0.45 -0.12 0.00 0.43 0.00 0.00 52.55 53.27 1xn6 s ASP 89 Cb -0.12 -2.55 -0.15 0.00 -0.30 0.00 0.00 42.92 39.80 1xn6 s ASP 89 CO 0.02 -1.30 -0.18 0.18 -0.17 0.00 0.00 175.17 173.72 1xn6 n LEU 90 N 8.03 2.18 0.00 -1.34 4.77 -1.22 -4.98 117.00 124.44 1xn6 n LEU 90 Ca 0.12 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1xn6 n LEU 90 Cb 0.49 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1xn6 n LEU 90 CO 0.72 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 1xn6 n GLY 91 N 1.52 -0.80 2.19 -0.72 0.00 -1.02 -4.94 105.19 101.43 1xn6 n GLY 91 Ca -0.48 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.24 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 -1.03 1.61 8.00 -1.26 0.19 116.55 120.47 1xn6 n ASP 92 Ca 0.00 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.67 1xn6 n ASP 92 Cb 0.00 -3.21 -0.00 0.00 -0.02 0.00 0.00 41.12 37.88 1xn6 n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xn6 n ASN 93 N -1.08 -3.06 -4.43 -2.24 5.15 -1.26 -4.92 115.26 103.42 1xn6 n ASN 93 Ca -0.14 -0.02 -0.22 0.00 -0.60 0.00 0.00 54.58 53.60 1xn6 n ASN 93 Cb 0.51 -2.30 -0.10 0.00 -0.53 0.00 0.00 39.78 37.35 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xn6 s LYS 94 N -4.51 1.54 -0.09 1.20 1.02 0.51 0.13 119.74 119.54 1xn6 s LYS 94 Ca 0.02 -1.73 -0.22 0.00 0.02 0.00 0.00 55.97 54.07 1xn6 s LYS 94 Cb -0.01 -1.42 0.05 0.00 -0.52 0.00 0.00 37.83 35.93 1xn6 s LYS 94 CO 0.02 0.20 0.51 0.99 -0.92 0.00 0.00 175.35 176.16 1xn6 s THR 95 N -2.78 0.02 -0.42 2.17 2.01 -0.25 -2.43 115.64 113.96 1xn6 s THR 95 Ca 0.27 -0.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 1xn6 s THR 95 Cb -0.01 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.73 1xn6 s THR 95 CO 0.12 -0.08 0.52 -0.70 -0.69 0.00 0.00 174.62 173.78 1xn6 s GLU 96 N -0.73 3.22 -0.23 4.92 2.12 -0.82 -2.33 118.70 124.85 1xn6 s GLU 96 Ca -0.08 -0.55 -0.10 0.00 0.36 0.00 0.00 54.97 54.59 1xn6 s GLU 96 Cb -0.03 -3.94 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 1xn6 s GLU 96 CO 0.05 -0.89 0.14 0.12 -0.54 0.00 0.00 175.26 174.15 1xn6 s PHE 97 N 2.41 3.32 -0.13 5.30 5.36 0.11 -2.19 117.98 132.16 1xn6 s PHE 97 Ca 0.17 0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 56.34 1xn6 s PHE 97 Cb -0.16 -2.23 0.04 0.00 -0.34 0.00 0.00 43.02 40.32 1xn6 s PHE 97 CO 0.16 0.10 -0.03 0.99 -1.46 0.00 0.00 175.22 174.98 1xn6 s THR 98 N 0.89 0.80 -0.24 0.12 2.01 -1.15 0.06 115.64 118.13 1xn6 s THR 98 Ca 0.07 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 1xn6 s THR 98 Cb -0.13 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1xn6 s THR 98 CO 0.03 0.17 0.27 -0.22 -0.69 0.00 0.00 174.62 174.18 1xn6 s LEU 99 N 1.78 4.10 -0.12 4.42 2.96 -0.97 -0.65 118.68 130.19 1xn6 s LEU 99 Ca 0.03 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1xn6 s LEU 99 Cb -0.14 -2.28 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1xn6 s LEU 99 CO -0.07 -0.03 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.13 1xn6 s ILE 100 N 1.38 1.65 -0.23 6.68 1.09 -0.73 -0.65 121.20 130.39 1xn6 s ILE 100 Ca 0.12 -0.73 -0.00 0.00 -1.10 0.00 0.00 60.65 58.94 1xn6 s ILE 100 Cb -0.15 -1.50 0.06 0.00 -1.06 0.00 0.00 42.46 39.82 1xn6 s ILE 100 CO 0.07 0.47 -0.02 -2.28 -0.10 0.00 0.00 174.94 173.08 1xn6 s HIS 101 N 1.00 2.04 0.10 3.97 5.65 -1.14 -1.42 115.29 125.48 1xn6 s HIS 101 Ca -0.05 -1.54 0.00 0.00 0.25 0.00 0.00 55.06 53.72 1xn6 s HIS 101 Cb -0.15 -1.46 0.00 0.00 -1.18 0.00 0.00 32.58 29.79 1xn6 s HIS 101 CO -0.03 -0.74 0.02 0.41 -0.65 0.00 0.00 174.74 173.75 1xn6 n GLY 102 N 4.77 3.85 0.00 1.59 0.00 -0.86 -2.77 105.19 111.77 1xn6 n GLY 102 Ca -0.11 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.68 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 3.79 3.18 0.08 -0.02 0.00 -1.26 -1.96 105.19 109.01 1xn6 n GLY 103 Ca -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.87 0.00 1.61 7.02 -1.26 -5.03 117.44 115.91 1xn6 n TRP 104 Ca 0.00 -0.02 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1xn6 n TRP 104 Cb 0.00 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 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 -1.13 0.00 -4.29 -0.99 5.02 -1.26 -4.99 118.16 110.53 1xn6 n LYS 105 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1xn6 n LYS 105 Cb 0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.92 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xn6 s HIS 106 N -0.37 3.15 -0.69 2.13 3.76 -1.26 -1.33 115.29 120.68 1xn6 s HIS 106 Ca 0.00 0.01 -0.27 0.00 -0.15 0.00 0.00 55.06 54.66 1xn6 s HIS 106 Cb 0.00 -1.91 0.01 0.00 1.11 0.00 0.00 32.58 31.78 1xn6 s HIS 106 CO 0.00 0.24 1.57 -1.25 -0.85 0.00 0.00 174.74 174.44 1xn6 s PRO 107 N -0.19 2.92 0.00 8.40 0.04 -1.26 -3.49 135.00 141.42 1xn6 s PRO 107 Ca 0.05 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1xn6 s PRO 107 Cb -0.12 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1xn6 s PRO 107 CO 0.02 -2.44 0.00 -0.25 0.04 0.00 0.00 177.00 174.37 1xn6 n ASP 108 N 11.03 0.00 -4.77 6.66 8.00 -1.26 -5.07 116.55 131.14 1xn6 n ASP 108 Ca 0.12 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.22 1xn6 n ASP 108 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1xn6 n ASP 108 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1xn6 s GLU 109 N 0.00 4.30 0.32 -1.24 -1.05 -1.23 -4.92 118.70 114.88 1xn6 s GLU 109 Ca 0.00 2.05 0.03 0.00 -0.15 0.00 0.00 54.97 56.89 1xn6 s GLU 109 Cb 0.00 -2.97 -0.03 0.00 -0.44 0.00 0.00 34.13 30.70 1xn6 s GLU 109 CO 0.00 -0.18 0.49 0.42 0.95 0.00 0.00 175.26 176.94 1xn6 s ILE 110 N -1.22 4.93 0.12 1.83 -1.09 -1.26 -4.55 121.20 119.97 1xn6 s ILE 110 Ca 0.51 -0.69 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1xn6 s ILE 110 Cb -0.36 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1xn6 s ILE 110 CO 0.47 -0.42 0.26 -0.76 -1.23 0.00 0.00 174.94 173.26 1xn6 s LEU 111 N -4.22 4.33 -0.08 2.97 1.02 -1.26 -5.01 118.68 116.43 1xn6 s LEU 111 Ca 0.39 0.19 -0.21 0.00 0.02 0.00 0.00 54.13 54.52 1xn6 s LEU 111 Cb -0.09 -2.91 -0.17 0.00 0.02 0.00 0.00 46.19 43.03 1xn6 s LEU 111 CO 0.33 0.08 0.80 1.55 0.02 0.00 0.00 176.35 179.14 1xn6 h PRO 112 N 2.40 -0.11 -3.58 1.29 0.13 -1.96 -2.78 132.00 127.39 1xn6 h PRO 112 Ca -0.48 0.01 -0.78 0.00 -0.87 0.00 0.00 66.00 63.88 1xn6 h PRO 112 Cb 1.19 0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 1xn6 h PRO 112 CO 0.70 0.42 1.22 1.63 -0.23 0.00 0.00 178.00 181.75 1xn6 n LYS 113 N -4.82 3.82 0.00 0.86 5.02 -1.26 -4.26 118.16 117.52 1xn6 n LYS 113 Ca -0.08 -4.08 0.00 0.00 -2.02 0.00 0.00 58.31 52.13 1xn6 n LYS 113 Cb 0.29 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn6 n ALA 114 N 3.21 0.00 -0.15 7.82 0.00 -1.26 -4.10 120.51 126.04 1xn6 n ALA 114 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.78 1xn6 n ALA 114 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 -0.87 -1.44 0.00 5.15 -1.05 -5.03 115.26 112.03 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 0.00 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 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 -1.20 -1.87 -1.66 5.20 0.00 -1.26 -4.73 120.51 114.99 1xn6 n ALA 116 Ca 0.00 0.42 -0.47 0.00 0.00 0.00 0.00 53.44 53.39 1xn6 n ALA 116 Cb 0.07 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.39 1.98 -0.11 0.00 5.02 -1.26 -4.62 118.16 117.78 1xn6 n LYS 117 Ca 0.00 0.71 -0.06 0.00 -2.02 0.00 0.00 58.31 56.95 1xn6 n LYS 117 Cb 0.13 -2.46 0.01 0.00 -0.02 0.00 0.00 35.03 32.69 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 5.70 -0.65 -1.08 4.39 0.02 -1.85 0.39 113.55 120.46 1xn6 h SER 118 Ca -0.45 0.15 0.29 0.00 -0.84 0.00 0.00 61.79 60.94 1xn6 h SER 118 Cb 1.27 0.35 -0.09 0.00 0.14 0.00 0.00 62.40 64.07 1xn6 h SER 118 CO 0.87 -0.22 0.71 0.77 -1.14 0.00 0.00 176.83 177.81 1xn6 h SER 119 N -0.13 0.38 0.96 3.07 4.64 -1.94 1.84 113.55 122.36 1xn6 h SER 119 Ca 0.19 0.08 -0.19 0.00 -0.47 0.00 0.00 61.79 61.40 1xn6 h SER 119 Cb 0.42 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1xn6 h SER 119 CO -0.46 0.05 -0.91 0.40 -0.87 0.00 0.00 176.83 175.04 1xn6 h ILE 120 N 0.32 1.63 0.00 0.95 2.04 -0.74 -1.78 117.51 119.93 1xn6 h ILE 120 Ca 0.61 -3.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.33 1xn6 h ILE 120 Cb 1.70 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 40.49 1xn6 h ILE 120 CO -0.28 0.89 -0.00 0.40 0.00 0.00 0.00 178.15 179.16 1xn6 h ILE 121 N 0.00 1.58 0.00 -0.67 1.08 0.50 -1.87 117.51 118.13 1xn6 h ILE 121 Ca -0.01 -1.78 -0.02 0.00 -0.39 0.00 0.00 64.86 62.66 1xn6 h ILE 121 Cb 1.64 2.79 -0.00 0.00 -3.07 0.00 0.00 36.82 38.17 1xn6 h ILE 121 CO 0.12 0.46 -0.12 0.08 -0.69 0.00 0.00 178.15 178.00 1xn6 h ARG 122 N -0.77 0.00 0.03 2.37 0.11 0.20 0.45 114.38 116.76 1xn6 h ARG 122 Ca -0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xn6 h ARG 122 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 1xn6 h ARG 122 CO 0.00 0.12 -0.01 -0.44 0.10 0.00 0.00 179.97 179.74 1xn6 h ASP 123 N 0.00 -0.03 -0.42 0.08 3.32 -1.30 0.22 116.42 118.28 1xn6 h ASP 123 Ca -0.00 -0.62 -0.09 0.00 0.02 0.00 0.00 57.03 56.34 1xn6 h ASP 123 Cb 0.31 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xn6 h ASP 123 CO 0.02 0.63 -0.08 0.03 -1.72 0.00 0.00 179.24 178.11 1xn6 h ARG 124 N -0.71 0.81 -0.24 3.56 3.08 -0.97 -0.75 114.38 119.16 1xn6 h ARG 124 Ca -0.00 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 1xn6 h ARG 124 Cb 0.65 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1xn6 h ARG 124 CO 0.01 0.92 -0.02 1.98 -1.07 0.00 0.00 179.97 181.78 1xn6 h MET 125 N 0.63 0.44 0.26 0.04 4.05 -0.19 -2.20 114.93 117.95 1xn6 h MET 125 Ca 0.11 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1xn6 h MET 125 Cb 0.61 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1xn6 h MET 125 CO 0.04 0.64 -0.17 1.03 0.23 0.00 0.00 176.91 178.68 1xn6 h SER 126 N 0.19 -0.41 -0.10 1.39 0.87 -0.50 0.16 113.55 115.15 1xn6 h SER 126 Ca 0.06 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1xn6 h SER 126 Cb 0.46 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.48 1xn6 h SER 126 CO 0.02 -0.27 -0.49 1.23 -0.53 0.00 0.00 176.83 176.79 1xn6 h GLY 127 N -0.42 -0.93 1.19 5.77 0.00 -1.13 1.15 103.07 108.70 1xn6 h GLY 127 Ca -0.03 0.61 0.07 0.00 0.00 0.00 0.00 47.33 47.98 1xn6 h GLY 127 CO 0.02 -0.22 0.38 -1.33 0.00 0.00 0.00 176.54 175.40 1xn6 h GLY 128 N -0.57 0.65 0.83 4.60 0.00 -1.29 -0.26 103.07 107.02 1xn6 h GLY 128 Ca 0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1xn6 h GLY 128 CO -0.40 0.15 -0.13 1.49 0.00 0.00 0.00 176.54 177.65 1xn6 h TRP 129 N 0.52 0.55 -0.33 5.60 -0.00 0.13 0.65 115.95 123.07 1xn6 h TRP 129 Ca 0.25 -0.14 0.06 0.00 -0.00 0.00 0.00 58.89 59.05 1xn6 h TRP 129 Cb 0.32 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.16 29.31 1xn6 h TRP 129 CO -0.00 0.77 0.01 0.28 -0.00 0.00 0.00 178.44 179.50 1xn6 h VAL 130 N 0.16 0.77 0.15 1.49 2.07 0.27 1.44 116.25 122.60 1xn6 h VAL 130 Ca 0.04 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1xn6 h VAL 130 Cb 0.64 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1xn6 h VAL 130 CO 0.04 0.02 -0.07 0.00 0.02 0.00 0.00 177.57 177.58 1xn6 h ALA 131 N 1.28 -0.20 -0.68 1.67 0.00 -1.01 0.03 119.26 120.35 1xn6 h ALA 131 Ca 0.16 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1xn6 h ALA 131 Cb 0.21 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1xn6 h ALA 131 CO -0.26 -0.43 0.46 0.82 0.00 0.00 0.00 179.25 179.84 1xn6 h ILE 132 N -0.56 0.77 -0.03 0.00 2.04 0.73 1.47 117.51 121.94 1xn6 h ILE 132 Ca -0.02 -0.09 -0.18 0.00 1.00 0.00 0.00 64.86 65.57 1xn6 h ILE 132 Cb 0.43 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1xn6 h ILE 132 CO 0.03 0.05 -0.76 0.58 0.00 0.00 0.00 178.15 178.05 1xn6 h VAL 133 N 0.27 1.45 -0.84 1.67 2.07 0.23 -2.47 116.25 118.62 1xn6 h VAL 133 Ca 0.33 -2.35 -0.58 0.00 0.82 0.00 0.00 66.70 64.92 1xn6 h VAL 133 Cb 0.91 2.27 -0.40 0.00 -1.52 0.00 0.00 31.29 32.55 1xn6 h VAL 133 CO -0.08 0.69 -0.46 0.59 0.02 0.00 0.00 177.57 178.33 1xn6 n ASN 134 N -3.75 5.50 0.02 0.57 3.02 0.17 -3.15 115.26 117.65 1xn6 n ASN 134 Ca -0.03 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 1xn6 n ASN 134 Cb 0.73 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 -0.74 0.00 -0.02 3.52 -0.58 0.45 -4.88 120.64 118.39 1xn6 n GLU 135 Ca 0.48 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.20 1xn6 n GLU 135 Cb 0.89 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.76 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 -2.64 0.14 -0.32 3.49 5.02 -1.05 -3.41 118.16 119.38 1xn6 n LYS 136 Ca 0.00 0.29 0.18 0.00 -2.02 0.00 0.00 58.31 56.77 1xn6 n LYS 136 Cb 0.00 -1.00 0.35 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.98 -0.00 0.12 -0.35 7.94 -0.96 0.19 117.00 120.96 1xn6 n LEU 137 Ca -0.02 1.61 -0.13 0.00 -1.11 0.00 0.00 56.01 56.35 1xn6 n LEU 137 Cb 0.09 -0.63 -0.06 0.00 0.53 0.00 0.00 43.42 43.34 1xn6 n LEU 137 CO 0.04 -1.67 0.78 0.50 -1.11 0.00 0.00 177.39 175.93 1xn6 h LYS 138 N 0.00 -0.29 0.00 1.96 3.64 -1.74 0.29 116.57 120.43 1xn6 h LYS 138 Ca 0.63 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.98 1xn6 h LYS 138 Cb 1.42 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 1xn6 h LYS 138 CO -0.86 -0.19 -0.23 -0.22 -2.27 0.00 0.00 179.45 175.68 1xn6 h LYS 139 N -0.30 0.00 0.41 1.90 3.64 0.18 1.30 116.57 123.70 1xn6 h LYS 139 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1xn6 h LYS 139 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xn6 h LYS 139 CO -0.03 0.23 -0.19 0.28 -2.27 0.00 0.00 179.45 177.47 1xn6 h VAL 140 N 0.00 0.58 0.19 2.00 2.07 0.32 0.97 116.25 122.37 1xn6 h VAL 140 Ca -0.00 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1xn6 h VAL 140 Cb 0.42 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1xn6 h VAL 140 CO 0.03 0.07 -0.09 0.58 0.02 0.00 0.00 177.57 178.18 1xn6 h VAL 141 N -0.77 0.81 -0.99 2.57 2.07 -0.22 -3.21 116.25 116.50 1xn6 h VAL 141 Ca -0.06 -1.04 0.13 0.00 0.82 0.00 0.00 66.70 66.55 1xn6 h VAL 141 Cb 0.53 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 1xn6 h VAL 141 CO 0.09 0.20 0.62 -0.08 0.02 0.00 0.00 177.57 178.42 1xn6 h GLU 142 N -0.85 0.92 0.00 1.57 4.81 0.16 -3.48 114.58 117.71 1xn6 h GLU 142 Ca -0.03 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xn6 h GLU 142 Cb 0.52 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1xn6 h GLU 142 CO 0.04 0.61 0.00 0.41 -0.73 0.00 0.00 179.01 179.34