#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 1.52 0.25 0.03 2.02 -1.26 -5.13 118.70 116.13 1xn6 s GLU 2 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.54 1xn6 s GLU 2 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1xn6 s GLU 2 CO 0.00 -0.60 0.00 0.94 0.02 0.00 0.00 175.26 175.62 1xn6 n GLN 3 N -0.39 -1.35 0.00 1.61 7.27 -1.26 -4.96 117.38 118.31 1xn6 n GLN 3 Ca -0.00 1.09 0.00 0.00 0.07 0.00 0.00 57.00 58.16 1xn6 n GLN 3 Cb 0.63 -1.58 0.00 0.00 2.41 0.00 0.00 30.24 31.70 1xn6 n GLN 3 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1xn6 n GLN 4 N -3.00 2.23 0.00 3.69 -0.06 -1.26 -5.00 117.38 113.98 1xn6 n GLN 4 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 1xn6 n GLN 4 Cb 0.28 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.46 1xn6 n GLN 4 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1xn6 n ASN 5 N 0.00 -0.42 -1.31 1.69 3.02 -1.26 -5.05 115.26 111.92 1xn6 n ASN 5 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 1xn6 n ASN 5 Cb 0.00 0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 40.00 1xn6 n ASN 5 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1xn6 n THR 6 N -0.91 0.00 -3.74 3.41 -1.04 -1.26 -4.95 114.28 105.78 1xn6 n THR 6 Ca 0.00 0.41 -0.22 0.00 -2.04 0.00 0.00 64.05 62.20 1xn6 n THR 6 Cb 0.00 -0.86 -0.04 0.00 -1.82 0.00 0.00 70.33 67.62 1xn6 n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xn6 s LEU 7 N -7.01 3.24 0.46 -4.42 1.43 0.42 -4.71 118.68 108.10 1xn6 s LEU 7 Ca 0.00 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1xn6 s LEU 7 Cb 0.00 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1xn6 s LEU 7 CO 0.00 -0.69 0.03 0.20 0.23 0.00 0.00 176.35 176.12 1xn6 s ASN 8 N -4.10 3.78 -0.10 2.29 -0.87 -1.26 -4.89 114.94 109.79 1xn6 s ASN 8 Ca 0.45 -1.58 -0.20 0.00 -1.57 0.00 0.00 52.86 49.96 1xn6 s ASN 8 Cb -0.01 0.28 -0.04 0.00 -0.02 0.00 0.00 41.25 41.46 1xn6 s ASN 8 CO 0.26 -0.76 0.57 -1.81 -2.57 0.00 0.00 177.10 172.79 1xn6 s ASP 9 N -3.78 6.80 -1.00 -1.22 1.01 -1.26 -4.94 116.67 112.29 1xn6 s ASP 9 Ca 0.17 0.96 -0.27 0.00 0.71 0.00 0.00 52.55 54.12 1xn6 s ASP 9 Cb 0.04 -2.34 -0.20 0.00 1.01 0.00 0.00 42.92 41.43 1xn6 s ASP 9 CO 0.09 -0.06 2.20 -0.63 0.21 0.00 0.00 175.17 176.98 1xn6 s ILE 10 N 0.78 3.02 0.16 0.77 1.01 -1.06 -4.78 121.20 121.09 1xn6 s ILE 10 Ca 0.31 -0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.77 1xn6 s ILE 10 Cb -0.16 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 1xn6 s ILE 10 CO 0.13 -0.05 0.58 -0.75 0.00 0.00 0.00 174.94 174.86 1xn6 s LYS 11 N 8.60 4.03 -0.32 2.79 2.20 -1.25 -2.65 119.74 133.15 1xn6 s LYS 11 Ca 0.85 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 1xn6 s LYS 11 Cb -0.07 -2.92 0.14 0.00 -1.51 0.00 0.00 37.83 33.46 1xn6 s LYS 11 CO 0.15 0.46 0.29 -0.65 -0.36 0.00 0.00 175.35 175.25 1xn6 s GLN 12 N -1.96 0.44 -0.23 4.03 -0.21 0.07 -4.94 119.66 116.87 1xn6 s GLN 12 Ca 0.39 -0.57 -0.19 0.00 0.02 0.00 0.00 55.36 55.00 1xn6 s GLN 12 Cb -0.15 -0.81 -0.03 0.00 1.00 0.00 0.00 33.01 33.02 1xn6 s GLN 12 CO 0.19 -1.11 0.57 0.99 -2.12 0.00 0.00 175.29 173.82 1xn6 s THR 13 N 1.86 5.05 0.04 -0.19 2.01 -1.26 -2.18 115.64 120.97 1xn6 s THR 13 Ca 0.13 1.04 -0.10 0.00 0.31 0.00 0.00 61.69 63.07 1xn6 s THR 13 Cb -0.16 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.47 1xn6 s THR 13 CO -0.19 0.10 0.21 -0.51 -0.69 0.00 0.00 174.62 173.54 1xn6 s ILE 14 N 2.06 0.10 -0.16 1.82 2.07 -0.00 -5.01 121.20 122.08 1xn6 s ILE 14 Ca 0.25 -0.85 -0.02 0.00 -1.41 0.00 0.00 60.65 58.62 1xn6 s ILE 14 Cb -0.16 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.53 1xn6 s ILE 14 CO 0.09 -0.47 -0.09 -0.69 -1.91 0.00 0.00 174.94 171.87 1xn6 s VAL 15 N -2.50 3.24 0.12 4.00 1.01 -1.26 -0.24 120.40 124.77 1xn6 s VAL 15 Ca -0.06 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1xn6 s VAL 15 Cb -0.01 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1xn6 s VAL 15 CO -0.03 0.49 -0.19 -0.36 0.00 0.00 0.00 175.10 175.01 1xn6 s PHE 16 N 0.69 2.52 -1.33 5.22 0.08 -1.06 -5.00 117.98 119.10 1xn6 s PHE 16 Ca -0.05 -0.27 -0.17 0.00 0.12 0.00 0.00 56.93 56.56 1xn6 s PHE 16 Cb -0.15 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 41.01 1xn6 s PHE 16 CO 0.02 0.38 1.87 -1.71 -0.10 0.00 0.00 175.22 175.68 1xn6 n ASN 17 N 0.83 4.60 -1.60 1.36 2.85 -1.26 -2.43 115.26 119.61 1xn6 n ASN 17 Ca -0.16 -2.89 -0.02 0.00 -0.11 0.00 0.00 54.58 51.40 1xn6 n ASN 17 Cb 0.53 -1.72 0.01 0.00 1.24 0.00 0.00 39.78 39.83 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 7.96 -0.65 -2.56 5.20 0.00 0.38 -4.81 120.51 126.03 1xn6 n ALA 18 Ca 0.50 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1xn6 n ALA 18 Cb 0.44 0.24 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 1xn6 n ALA 18 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xn6 s SER 19 N -1.66 4.84 0.28 0.00 0.01 -1.26 0.03 113.70 115.94 1xn6 s SER 19 Ca 0.06 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 1xn6 s SER 19 Cb -0.01 -0.84 0.39 0.00 0.21 0.00 0.00 66.02 65.77 1xn6 s SER 19 CO 0.03 -0.25 1.87 -0.29 0.41 0.00 0.00 173.24 175.01 1xn6 h ILE 20 N 1.53 1.22 -0.02 1.44 2.10 -1.86 0.43 117.51 122.36 1xn6 h ILE 20 Ca -0.44 -0.66 -0.08 0.00 1.08 0.00 0.00 64.86 64.75 1xn6 h ILE 20 Cb 1.25 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.36 1xn6 h ILE 20 CO 0.62 0.27 -0.39 1.56 -1.08 0.00 0.00 178.15 179.13 1xn6 h GLN 21 N 0.95 0.03 0.06 2.19 1.08 -1.95 -0.09 115.11 117.39 1xn6 h GLN 21 Ca 0.23 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1xn6 h GLN 21 Cb 0.14 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1xn6 h GLN 21 CO -0.03 0.42 -0.03 -0.22 -0.95 0.00 0.00 178.83 178.02 1xn6 h LYS 22 N 0.03 -0.08 -0.97 1.46 3.64 -1.64 -3.09 116.57 115.92 1xn6 h LYS 22 Ca -0.00 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.60 1xn6 h LYS 22 Cb 0.70 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.46 1xn6 h LYS 22 CO 0.05 0.12 0.62 0.28 -2.27 0.00 0.00 179.45 178.26 1xn6 h VAL 23 N -1.01 0.65 -0.68 2.00 2.07 -0.21 0.63 116.25 119.71 1xn6 h VAL 23 Ca -0.01 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1xn6 h VAL 23 Cb 0.24 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 1xn6 h VAL 23 CO 0.01 0.09 0.40 -0.25 0.02 0.00 0.00 177.57 177.84 1xn6 h TRP 24 N 0.51 0.73 -0.71 1.57 2.91 -1.08 0.54 115.95 120.42 1xn6 h TRP 24 Ca 0.54 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.66 1xn6 h TRP 24 Cb 1.18 -0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 29.55 1xn6 h TRP 24 CO -0.00 0.38 0.47 0.77 -1.03 0.00 0.00 178.44 179.03 1xn6 h SER 25 N 0.75 0.61 0.96 2.65 0.02 0.35 0.67 113.55 119.56 1xn6 h SER 25 Ca 0.29 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1xn6 h SER 25 Cb 0.12 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xn6 h SER 25 CO -0.15 0.39 0.00 0.58 -1.14 0.00 0.00 176.83 176.50 1xn6 h VAL 26 N 0.69 0.00 -0.54 2.27 2.07 -0.46 -2.75 116.25 117.52 1xn6 h VAL 26 Ca 0.32 -0.39 -0.39 0.00 0.82 0.00 0.00 66.70 67.06 1xn6 h VAL 26 Cb 0.34 1.26 -0.37 0.00 -1.52 0.00 0.00 31.29 31.00 1xn6 h VAL 26 CO -0.11 0.00 -0.88 1.33 0.02 0.00 0.00 177.57 177.94 1xn6 n VAL 27 N -2.60 2.03 -1.95 2.57 0.24 0.20 -4.30 118.33 114.52 1xn6 n VAL 27 Ca 0.02 -3.60 -0.05 0.00 -2.04 0.00 0.00 64.34 58.67 1xn6 n VAL 27 Cb 0.29 -0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 32.35 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 -0.66 -0.78 -4.24 -1.34 3.41 0.73 -4.93 113.62 105.81 1xn6 n SER 28 Ca 0.29 -1.53 -0.17 0.00 -0.26 0.00 0.00 58.87 57.21 1xn6 n SER 28 Cb 0.90 0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 65.00 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 0.01 1.28 -0.12 6.66 -4.23 -1.11 -4.88 115.64 113.25 1xn6 s THR 29 Ca 0.01 -1.78 -0.20 0.00 -1.18 0.00 0.00 61.69 58.54 1xn6 s THR 29 Cb 0.04 -1.58 -0.26 0.00 1.34 0.00 0.00 72.50 72.04 1xn6 s THR 29 CO -0.01 -0.49 0.60 0.00 -0.54 0.00 0.00 174.62 174.17 1xn6 h ALA 30 N 3.37 0.11 0.20 3.99 0.00 -1.91 -3.08 119.26 121.95 1xn6 h ALA 30 Ca -0.39 -0.94 -0.29 0.00 0.00 0.00 0.00 54.91 53.29 1xn6 h ALA 30 Cb 1.20 0.38 0.03 0.00 0.00 0.00 0.00 17.79 19.39 1xn6 h ALA 30 CO 0.53 0.60 -1.31 1.49 0.00 0.00 0.00 179.25 180.56 1xn6 h GLU 31 N -0.53 0.42 0.03 0.00 4.22 -1.97 -2.94 114.58 113.80 1xn6 h GLU 31 Ca -0.23 -0.72 0.02 0.00 0.08 0.00 0.00 59.36 58.51 1xn6 h GLU 31 Cb 1.55 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 31.03 1xn6 h GLU 31 CO 0.02 1.34 -0.19 0.78 -2.18 0.00 0.00 179.01 178.79 1xn6 h GLY 32 N 0.05 -0.28 0.88 1.92 0.00 -1.89 -1.11 103.07 102.64 1xn6 h GLY 32 Ca -0.24 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.33 1xn6 h GLY 32 CO 0.20 -0.17 0.22 -2.22 0.00 0.00 0.00 176.54 174.57 1xn6 h ILE 33 N -0.32 1.02 -0.01 2.60 2.04 -1.67 0.14 117.51 121.32 1xn6 h ILE 33 Ca 0.05 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1xn6 h ILE 33 Cb 0.38 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1xn6 h ILE 33 CO -0.16 0.08 0.23 0.00 0.00 0.00 0.00 178.15 178.31 1xn6 h ALA 34 N 1.18 1.26 -0.32 1.87 0.00 -1.24 1.29 119.26 123.30 1xn6 h ALA 34 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xn6 h ALA 34 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xn6 h ALA 34 CO -0.08 -0.24 0.00 0.43 0.00 0.00 0.00 179.25 179.36 1xn6 n SER 35 N -2.98 2.60 -2.24 0.00 7.64 0.50 -3.83 113.62 115.31 1xn6 n SER 35 Ca -0.02 -2.22 -0.02 0.00 1.01 0.00 0.00 58.87 57.61 1xn6 n SER 35 Cb 0.29 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.43 -0.30 0.00 1.43 4.27 0.41 -4.64 117.44 119.03 1xn6 n TRP 36 Ca 0.13 -0.49 0.00 0.00 -3.89 0.00 0.00 57.50 53.24 1xn6 n TRP 36 Cb 0.50 0.97 0.00 0.00 -1.36 0.00 0.00 31.31 31.42 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 -0.38 -1.07 0.00 -2.67 7.35 0.73 -4.86 117.46 116.56 1xn6 n PHE 37 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 1xn6 n PHE 37 Cb 0.60 0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.65 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 -1.88 0.00 -2.40 -4.13 2.81 -1.25 -5.00 117.12 105.27 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 4.17 0.06 0.03 0.04 -1.26 -3.89 135.00 132.15 1xn6 s PRO 39 Ca 0.00 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1xn6 s PRO 39 Cb 0.00 -3.80 0.01 0.00 0.04 0.00 0.00 34.50 30.75 1xn6 s PRO 39 CO 0.00 -0.79 0.15 0.27 0.04 0.00 0.00 177.00 176.67 1xn6 n ASN 40 N 6.84 -0.39 -3.29 6.66 6.94 -1.26 -1.76 115.26 128.99 1xn6 n ASN 40 Ca 0.14 -1.26 -0.26 0.00 -0.02 0.00 0.00 54.58 53.18 1xn6 n ASN 40 Cb 0.45 0.65 -0.07 0.00 -2.36 0.00 0.00 39.78 38.45 1xn6 n ASN 40 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1xn6 n ASP 41 N -1.02 3.27 -4.03 0.53 8.00 -1.18 -4.91 116.55 117.21 1xn6 n ASP 41 Ca -0.01 -3.37 -0.37 0.00 0.71 0.00 0.00 54.79 51.75 1xn6 n ASP 41 Cb 0.11 -0.64 0.02 0.00 -0.02 0.00 0.00 41.12 40.58 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 0.71 -3.70 -3.47 1.24 7.35 -1.26 -4.70 117.46 113.62 1xn6 n PHE 42 Ca 0.29 0.26 -0.10 0.00 -0.76 0.00 0.00 57.45 57.13 1xn6 n PHE 42 Cb 0.43 -1.54 -0.09 0.00 0.35 0.00 0.00 39.48 38.63 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 -1.94 -0.58 -1.33 -2.13 0.11 -1.26 -4.85 120.40 108.42 1xn6 s VAL 43 Ca 0.49 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 59.43 1xn6 s VAL 43 Cb -0.36 -0.73 0.11 0.00 -1.53 0.00 0.00 36.38 33.87 1xn6 s VAL 43 CO 0.71 -0.05 1.88 -0.11 -3.33 0.00 0.00 175.10 174.19 1xn6 n LEU 44 N 5.37 6.09 -3.69 2.54 7.94 -1.26 -4.85 117.00 129.14 1xn6 n LEU 44 Ca -0.05 -4.29 -0.10 0.00 -1.11 0.00 0.00 56.01 50.45 1xn6 n LEU 44 Cb 0.50 -1.62 -0.10 0.00 0.53 0.00 0.00 43.42 42.72 1xn6 n LEU 44 CO 0.04 0.91 0.07 -1.61 -1.11 0.00 0.00 177.39 175.69 1xn6 s GLU 45 N 2.32 0.40 0.23 1.96 2.02 -1.26 -5.10 118.70 119.27 1xn6 s GLU 45 Ca 0.46 0.86 -0.31 0.00 0.02 0.00 0.00 54.97 55.99 1xn6 s GLU 45 Cb 0.08 0.04 -0.11 0.00 0.10 0.00 0.00 34.13 34.24 1xn6 s GLU 45 CO -0.01 -0.17 1.60 0.08 0.02 0.00 0.00 175.26 176.77 1xn6 s VAL 46 N 1.62 2.30 0.00 2.63 1.01 -1.26 -0.89 120.40 125.80 1xn6 s VAL 46 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1xn6 s VAL 46 Cb -0.09 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1xn6 s VAL 46 CO -0.13 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1xn6 n GLY 47 N 3.04 0.89 3.87 4.51 0.00 -1.22 -5.01 105.19 111.28 1xn6 n GLY 47 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.56 3.63 0.27 1.61 5.04 -0.07 -4.87 115.29 117.35 1xn6 s HIS 48 Ca 0.00 0.65 0.11 0.00 -1.54 0.00 0.00 55.06 54.28 1xn6 s HIS 48 Cb 0.00 -2.03 -0.05 0.00 0.04 0.00 0.00 32.58 30.54 1xn6 s HIS 48 CO 0.00 0.71 -0.18 -1.83 -2.34 0.00 0.00 174.74 171.10 1xn6 s GLU 49 N -1.05 1.63 -0.02 2.88 -1.05 -1.26 -0.61 118.70 119.23 1xn6 s GLU 49 Ca 0.17 -1.75 0.01 0.00 -0.15 0.00 0.00 54.97 53.25 1xn6 s GLU 49 Cb -0.13 -1.66 0.01 0.00 -0.44 0.00 0.00 34.13 31.91 1xn6 s GLU 49 CO 0.07 0.29 -0.03 -0.59 0.95 0.00 0.00 175.26 175.95 1xn6 s PHE 50 N -2.59 0.41 0.28 4.83 -0.71 0.16 -4.86 117.98 115.49 1xn6 s PHE 50 Ca 0.29 -0.07 -0.24 0.00 -1.04 0.00 0.00 56.93 55.87 1xn6 s PHE 50 Cb -0.04 -0.35 -0.09 0.00 -1.21 0.00 0.00 43.02 41.33 1xn6 s PHE 50 CO 0.14 -0.07 0.87 -1.01 -1.34 0.00 0.00 175.22 173.81 1xn6 s HIS 51 N 0.38 3.70 0.22 3.49 3.76 -1.26 -2.10 115.29 123.48 1xn6 s HIS 51 Ca -0.04 1.66 0.02 0.00 -0.15 0.00 0.00 55.06 56.55 1xn6 s HIS 51 Cb -0.07 -2.82 -0.05 0.00 1.11 0.00 0.00 32.58 30.75 1xn6 s HIS 51 CO -0.01 0.28 0.03 0.54 -0.85 0.00 0.00 174.74 174.73 1xn6 s VAL 52 N -1.55 0.76 -0.57 -0.90 0.11 -1.26 -3.13 120.40 113.87 1xn6 s VAL 52 Ca 0.47 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.52 1xn6 s VAL 52 Cb -0.19 -2.37 0.14 0.00 -1.53 0.00 0.00 36.38 32.44 1xn6 s VAL 52 CO 0.23 -0.27 0.34 -1.10 -3.33 0.00 0.00 175.10 170.98 1xn6 s GLN 53 N -3.94 2.26 0.34 1.54 -0.21 -0.72 -4.19 119.66 114.74 1xn6 s GLN 53 Ca 0.30 -2.55 -0.04 0.00 0.02 0.00 0.00 55.36 53.09 1xn6 s GLN 53 Cb 0.07 -3.53 -0.05 0.00 1.00 0.00 0.00 33.01 30.50 1xn6 s GLN 53 CO 0.09 -1.14 0.60 -1.12 -2.12 0.00 0.00 175.29 171.60 1xn6 s SER 54 N 0.26 6.38 0.00 5.90 0.01 -1.25 -4.60 113.70 120.41 1xn6 s SER 54 Ca 0.17 0.70 0.22 0.00 1.31 0.00 0.00 55.95 58.35 1xn6 s SER 54 Cb -0.23 -2.14 1.07 0.00 0.21 0.00 0.00 66.02 64.93 1xn6 s SER 54 CO -0.02 -0.29 1.72 -0.81 0.41 0.00 0.00 173.24 174.26 1xn6 n PRO 55 N -1.36 0.21 -2.50 12.44 -0.04 -1.26 -3.35 135.00 139.14 1xn6 n PRO 55 Ca -0.02 0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.24 1xn6 n PRO 55 Cb 0.55 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.36 3.47 0.00 0.54 7.35 -1.26 -5.07 117.46 121.13 1xn6 n PHE 56 Ca 0.09 -3.17 0.00 0.00 -0.76 0.00 0.00 57.45 53.61 1xn6 n PHE 56 Cb 0.21 -0.30 0.00 0.00 0.35 0.00 0.00 39.48 39.74 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 -0.44 -1.81 3.67 7.13 0.00 -1.21 -4.84 105.19 107.69 1xn6 n GLY 57 Ca 0.39 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.03 4.26 -0.32 1.61 0.04 -1.26 -3.74 135.00 133.56 1xn6 s PRO 58 Ca 0.00 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 1xn6 s PRO 58 Cb 0.00 -3.72 0.11 0.00 0.04 0.00 0.00 34.50 30.93 1xn6 s PRO 58 CO 0.00 -0.65 0.14 -1.12 0.04 0.00 0.00 177.00 175.41 1xn6 s SER 59 N 1.89 3.58 1.10 6.66 0.01 -1.26 -4.81 113.70 120.87 1xn6 s SER 59 Ca 0.55 -1.65 -0.15 0.00 1.31 0.00 0.00 55.95 56.02 1xn6 s SER 59 Cb -0.23 -0.55 0.21 0.00 0.21 0.00 0.00 66.02 65.66 1xn6 s SER 59 CO 0.17 -0.40 0.96 -0.81 0.41 0.00 0.00 173.24 173.57 1xn6 n PRO 60 N 4.80 -1.84 -3.82 12.44 -0.04 -1.26 -4.37 135.00 140.91 1xn6 n PRO 60 Ca -0.01 -1.50 -0.12 0.00 -0.04 0.00 0.00 63.50 61.83 1xn6 n PRO 60 Cb 0.41 -1.18 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 1xn6 n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xn6 s LYS 62 N -0.72 2.76 0.32 0.00 2.36 -0.07 -0.67 119.74 123.72 1xn6 s LYS 62 Ca -0.08 -0.75 -0.29 0.00 -2.55 0.00 0.00 55.97 52.30 1xn6 s LYS 62 Cb -0.05 -2.31 -0.12 0.00 -1.05 0.00 0.00 37.83 34.30 1xn6 s LYS 62 CO 0.01 -0.10 1.46 0.28 1.55 0.00 0.00 175.35 178.56 1xn6 n VAL 63 N 4.31 1.52 -0.09 4.02 0.31 0.22 -0.68 118.33 127.93 1xn6 n VAL 63 Ca -0.20 -0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 63.62 1xn6 n VAL 63 Cb 0.51 -1.80 -0.05 0.00 -0.91 0.00 0.00 33.84 31.60 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 1.35 1.81 -4.17 7.52 4.77 0.57 -3.36 117.00 125.49 1xn6 n LEU 64 Ca 0.06 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1xn6 n LEU 64 Cb 0.36 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 1xn6 n LEU 64 CO 0.63 -0.07 -0.40 -0.70 -1.33 0.00 0.00 177.39 175.53 1xn6 s GLU 65 N -2.70 0.83 -0.04 3.23 2.56 -0.94 -4.72 118.70 116.92 1xn6 s GLU 65 Ca -0.28 -1.22 0.01 0.00 0.00 0.00 0.00 54.97 53.48 1xn6 s GLU 65 Cb 0.07 -0.37 0.02 0.00 2.00 0.00 0.00 34.13 35.84 1xn6 s GLU 65 CO 0.40 0.03 -0.06 0.42 -0.56 0.00 0.00 175.26 175.50 1xn6 s ILE 66 N -2.92 0.58 -0.44 -3.70 1.01 -1.26 -1.94 121.20 112.53 1xn6 s ILE 66 Ca 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1xn6 s ILE 66 Cb 0.00 -0.58 0.21 0.00 0.01 0.00 0.00 42.46 42.11 1xn6 s ILE 66 CO -0.02 0.22 0.92 0.47 0.00 0.00 0.00 174.94 176.53 1xn6 n ASP 67 N 3.80 -2.54 -0.22 3.58 8.00 -0.30 -4.98 116.55 123.90 1xn6 n ASP 67 Ca -0.23 -2.25 -0.01 0.00 0.71 0.00 0.00 54.79 53.01 1xn6 n ASP 67 Cb 0.52 1.35 0.06 0.00 -0.02 0.00 0.00 41.12 43.02 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 4.41 -0.03 -2.64 -1.24 4.81 -1.98 1.39 114.58 119.29 1xn6 h GLU 68 Ca -0.02 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.93 1xn6 h GLU 68 Cb 1.13 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1xn6 h GLU 68 CO -0.00 -0.02 1.13 -0.35 -0.73 0.00 0.00 179.01 179.04 1xn6 n PRO 69 N -5.44 2.00 0.00 0.92 -0.04 -1.26 -3.95 135.00 127.23 1xn6 n PRO 69 Ca 0.07 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1xn6 n PRO 69 Cb 0.34 -2.16 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 3.14 0.00 0.00 3.54 4.05 -0.58 -5.13 115.26 120.28 1xn6 n ASN 70 Ca 0.43 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.46 1xn6 n ASN 70 Cb 0.49 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 1xn6 n ASN 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xn6 n HIS 71 N 0.00 0.00 -4.04 1.20 1.44 0.47 -1.88 115.22 112.41 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 0.52 0.01 2.39 2.34 -1.26 -1.15 118.68 121.53 1xn6 s LEU 72 Ca 0.00 -1.02 -0.04 0.00 0.06 0.00 0.00 54.13 53.13 1xn6 s LEU 72 Cb 0.00 1.45 -0.01 0.00 -0.56 0.00 0.00 46.19 47.07 1xn6 s LEU 72 CO 0.00 -1.07 0.05 -0.94 -1.06 0.00 0.00 176.35 173.34 1xn6 s SER 73 N -3.04 0.15 -0.12 1.48 1.04 -0.82 -3.61 113.70 108.77 1xn6 s SER 73 Ca 0.26 -0.39 -0.21 0.00 0.48 0.00 0.00 55.95 56.09 1xn6 s SER 73 Cb 0.01 0.16 0.05 0.00 0.10 0.00 0.00 66.02 66.34 1xn6 s SER 73 CO 0.09 -0.36 0.52 0.72 0.98 0.00 0.00 173.24 175.20 1xn6 s PHE 74 N -1.58 -0.51 0.14 5.02 -0.71 -1.18 -0.31 117.98 118.84 1xn6 s PHE 74 Ca -0.14 1.08 -0.02 0.00 -1.04 0.00 0.00 56.93 56.81 1xn6 s PHE 74 Cb -0.08 0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 41.92 1xn6 s PHE 74 CO -0.00 -0.40 0.33 -1.54 -1.34 0.00 0.00 175.22 172.27 1xn6 s SER 75 N -0.50 6.42 -0.35 1.98 1.04 0.15 -2.47 113.70 119.96 1xn6 s SER 75 Ca -0.06 0.43 -0.13 0.00 0.48 0.00 0.00 55.95 56.66 1xn6 s SER 75 Cb -0.03 -2.02 -0.01 0.00 0.10 0.00 0.00 66.02 64.06 1xn6 s SER 75 CO 0.04 0.06 0.25 0.86 0.98 0.00 0.00 173.24 175.42 1xn6 s TRP 76 N -1.68 3.23 1.19 5.02 -0.11 0.48 -0.89 118.94 126.17 1xn6 s TRP 76 Ca 0.38 -0.34 -0.19 0.00 1.22 0.00 0.00 56.10 57.17 1xn6 s TRP 76 Cb -0.12 -2.49 0.28 0.00 -1.50 0.00 0.00 33.47 29.64 1xn6 s TRP 76 CO 0.27 -0.43 1.13 -0.51 -4.62 0.00 0.00 176.95 172.80 1xn6 s ASP 77 N 1.70 1.06 -0.77 5.86 1.11 0.36 0.32 116.67 126.30 1xn6 s ASP 77 Ca 0.06 0.57 -0.10 0.00 0.18 0.00 0.00 52.55 53.26 1xn6 s ASP 77 Cb -0.18 -0.78 0.10 0.00 1.07 0.00 0.00 42.92 43.13 1xn6 s ASP 77 CO 0.10 -4.03 0.25 0.41 1.18 0.00 0.00 175.17 173.07 1xn6 n THR 78 N -4.69 0.00 0.00 -1.27 -1.04 -1.26 -4.12 114.28 101.89 1xn6 n THR 78 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1xn6 n THR 78 Cb 0.60 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 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 -1.72 0.00 0.00 8.00 8.00 -1.23 -4.88 116.55 124.72 1xn6 n ASP 79 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1xn6 n ASP 79 Cb 0.43 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 -1.20 1.14 3.60 0.44 0.00 0.15 -4.68 105.19 104.64 1xn6 n GLY 80 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.90 -0.11 1.61 0.51 -1.18 -4.69 118.94 115.98 1xn6 s TRP 81 Ca 0.00 -0.02 0.03 0.00 -2.12 0.00 0.00 56.10 53.99 1xn6 s TRP 81 Cb 0.00 -1.63 -0.00 0.00 -0.81 0.00 0.00 33.47 31.03 1xn6 s TRP 81 CO 0.00 0.37 -0.21 0.08 -0.51 0.00 0.00 176.95 176.68 1xn6 s VAL 82 N -0.97 2.26 -0.08 4.03 1.01 -0.33 0.18 120.40 126.51 1xn6 s VAL 82 Ca 0.16 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1xn6 s VAL 82 Cb -0.11 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1xn6 s VAL 82 CO 0.07 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 174.92 1xn6 s VAL 83 N 0.42 1.10 -0.04 2.92 1.01 -1.03 0.52 120.40 125.31 1xn6 s VAL 83 Ca -0.15 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xn6 s VAL 83 Cb -0.17 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1xn6 s VAL 83 CO 0.07 0.36 -0.02 -0.94 0.00 0.00 0.00 175.10 174.56 1xn6 s SER 84 N 0.94 0.77 -0.30 3.32 1.04 0.17 -3.11 113.70 116.52 1xn6 s SER 84 Ca -0.09 -0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.18 1xn6 s SER 84 Cb -0.15 -0.35 0.01 0.00 0.10 0.00 0.00 66.02 65.63 1xn6 s SER 84 CO 0.00 -0.08 0.09 -0.36 0.98 0.00 0.00 173.24 173.88 1xn6 s PHE 85 N 1.02 3.17 0.58 5.02 0.08 -1.24 -0.87 117.98 125.74 1xn6 s PHE 85 Ca -0.10 -1.00 -0.13 0.00 0.12 0.00 0.00 56.93 55.82 1xn6 s PHE 85 Cb -0.14 -2.27 -0.05 0.00 -0.57 0.00 0.00 43.02 39.99 1xn6 s PHE 85 CO -0.01 -0.59 1.02 0.34 -0.10 0.00 0.00 175.22 175.88 1xn6 s ASP 86 N 1.50 6.32 -0.08 1.36 -1.08 0.57 -4.00 116.67 121.26 1xn6 s ASP 86 Ca 0.02 1.51 -0.03 0.00 -0.52 0.00 0.00 52.55 53.53 1xn6 s ASP 86 Cb -0.17 -2.49 0.04 0.00 -1.46 0.00 0.00 42.92 38.84 1xn6 s ASP 86 CO 0.03 -0.81 0.12 -0.76 0.52 0.00 0.00 175.17 174.27 1xn6 s LEU 87 N -4.74 0.04 -0.10 -1.34 1.02 -0.79 -3.08 118.68 109.70 1xn6 s LEU 87 Ca 0.57 0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.90 1xn6 s LEU 87 Cb -0.11 0.07 -0.00 0.00 0.02 0.00 0.00 46.19 46.17 1xn6 s LEU 87 CO 0.44 -0.26 -0.22 -0.75 0.02 0.00 0.00 176.35 175.58 1xn6 s LYS 88 N 2.23 3.06 -0.69 1.70 2.20 -1.02 -4.66 119.74 122.56 1xn6 s LYS 88 Ca 0.04 -0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 54.54 1xn6 s LYS 88 Cb -0.12 -2.34 0.04 0.00 -1.51 0.00 0.00 37.83 33.89 1xn6 s LYS 88 CO -0.05 0.20 1.19 0.34 -0.36 0.00 0.00 175.35 176.67 1xn6 s ASP 89 N 0.30 6.22 -0.09 1.43 2.15 -1.26 -1.39 116.67 124.03 1xn6 s ASP 89 Ca -0.16 -0.46 -0.19 0.00 0.43 0.00 0.00 52.55 52.17 1xn6 s ASP 89 Cb -0.17 -2.53 -0.29 0.00 -0.30 0.00 0.00 42.92 39.64 1xn6 s ASP 89 CO 0.08 -1.68 0.68 -0.07 -0.17 0.00 0.00 175.17 174.01 1xn6 h LEU 90 N 12.44 0.40 0.00 -1.34 3.38 -1.85 -3.49 115.31 124.85 1xn6 h LEU 90 Ca -0.28 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 56.81 1xn6 h LEU 90 Cb 1.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1xn6 h LEU 90 CO 1.24 1.52 0.00 0.61 0.09 0.00 0.00 178.44 181.89 1xn6 n GLY 91 N 1.70 -0.71 3.47 0.83 0.00 -0.18 -4.94 105.19 105.36 1xn6 n GLY 91 Ca -0.21 -2.21 -0.25 0.00 0.00 0.00 0.00 46.02 43.36 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 -3.54 -2.93 1.61 9.92 -1.26 0.18 116.55 120.52 1xn6 n ASP 92 Ca 0.00 -0.46 -0.21 0.00 -0.53 0.00 0.00 54.79 53.59 1xn6 n ASP 92 Cb 0.00 -2.93 0.04 0.00 -0.64 0.00 0.00 41.12 37.59 1xn6 n ASP 92 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1xn6 n ASN 93 N -2.31 -5.89 -4.07 -2.24 3.02 -1.26 -4.90 115.26 97.61 1xn6 n ASN 93 Ca 0.00 -0.32 -0.17 0.00 -0.03 0.00 0.00 54.58 54.06 1xn6 n ASN 93 Cb 0.53 -4.66 -0.13 0.00 -0.61 0.00 0.00 39.78 34.90 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xn6 s LYS 94 N -5.75 0.71 -0.01 3.52 1.02 0.46 0.14 119.74 119.84 1xn6 s LYS 94 Ca 0.34 -0.56 -0.02 0.00 0.02 0.00 0.00 55.97 55.75 1xn6 s LYS 94 Cb -0.15 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 1xn6 s LYS 94 CO 0.42 0.16 0.04 0.99 -0.92 0.00 0.00 175.35 176.04 1xn6 s THR 95 N -0.70 0.02 -0.43 2.17 2.01 -0.94 -1.01 115.64 116.75 1xn6 s THR 95 Ca -0.00 -0.15 -0.24 0.00 0.31 0.00 0.00 61.69 61.60 1xn6 s THR 95 Cb -0.06 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 72.35 1xn6 s THR 95 CO 0.00 -0.08 0.86 -0.70 -0.69 0.00 0.00 174.62 174.01 1xn6 s GLU 96 N -0.24 3.57 -0.29 4.92 2.12 -0.48 -2.57 118.70 125.73 1xn6 s GLU 96 Ca -0.03 0.15 -0.13 0.00 0.36 0.00 0.00 54.97 55.32 1xn6 s GLU 96 Cb -0.02 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 1xn6 s GLU 96 CO 0.00 -1.09 0.30 0.12 -0.54 0.00 0.00 175.26 174.05 1xn6 s PHE 97 N 3.47 3.23 -0.28 5.30 5.36 0.67 -2.43 117.98 133.30 1xn6 s PHE 97 Ca 0.34 0.22 0.01 0.00 -0.96 0.00 0.00 56.93 56.54 1xn6 s PHE 97 Cb -0.11 -2.52 0.08 0.00 -0.34 0.00 0.00 43.02 40.13 1xn6 s PHE 97 CO 0.23 -0.24 0.00 0.99 -1.46 0.00 0.00 175.22 174.74 1xn6 s THR 98 N 1.94 1.63 -0.20 0.12 2.01 -1.18 -0.82 115.64 119.14 1xn6 s THR 98 Ca 0.11 -1.58 -0.15 0.00 0.31 0.00 0.00 61.69 60.38 1xn6 s THR 98 Cb -0.16 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1xn6 s THR 98 CO 0.11 -0.34 0.38 -0.22 -0.69 0.00 0.00 174.62 173.85 1xn6 s LEU 99 N 1.29 4.16 -0.07 4.42 0.20 -0.93 -0.31 118.68 127.44 1xn6 s LEU 99 Ca 0.02 0.49 0.02 0.00 0.69 0.00 0.00 54.13 55.35 1xn6 s LEU 99 Cb -0.19 -2.48 0.01 0.00 -0.43 0.00 0.00 46.19 43.11 1xn6 s LEU 99 CO -0.10 -0.05 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.15 1xn6 s ILE 100 N 1.23 1.17 -0.24 6.68 1.09 -0.05 -0.75 121.20 130.32 1xn6 s ILE 100 Ca 0.18 -0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 59.23 1xn6 s ILE 100 Cb -0.15 -1.07 0.07 0.00 -1.06 0.00 0.00 42.46 40.26 1xn6 s ILE 100 CO 0.07 0.36 0.03 -2.28 -0.10 0.00 0.00 174.94 173.03 1xn6 s HIS 101 N 0.72 1.69 0.00 3.97 5.65 -1.08 0.42 115.29 126.67 1xn6 s HIS 101 Ca -0.13 -1.43 0.00 0.00 0.25 0.00 0.00 55.06 53.74 1xn6 s HIS 101 Cb -0.16 -1.44 0.00 0.00 -1.18 0.00 0.00 32.58 29.80 1xn6 s HIS 101 CO 0.03 -0.75 0.00 0.41 -0.65 0.00 0.00 174.74 173.78 1xn6 n GLY 102 N 4.86 3.38 0.00 1.59 0.00 0.19 -2.58 105.19 112.62 1xn6 n GLY 102 Ca -0.07 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 1.20 3.98 -0.02 0.00 -1.26 -1.18 105.19 112.90 1xn6 n GLY 103 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1xn6 n GLY 103 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn6 s TRP 104 N -0.30 2.93 0.00 1.61 0.52 -1.26 -4.96 118.94 117.48 1xn6 s TRP 104 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.05 1xn6 s TRP 104 Cb 0.00 -2.55 0.00 0.00 -1.15 0.00 0.00 33.47 29.77 1xn6 s TRP 104 CO 0.00 -0.63 0.00 1.63 0.02 0.00 0.00 176.95 177.97 1xn6 n LYS 105 N -2.15 0.00 -3.81 4.98 5.02 -1.26 -4.90 118.16 116.05 1xn6 n LYS 105 Ca 0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 1xn6 n LYS 105 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.56 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 -0.98 3.52 0.10 2.13 3.76 -1.26 0.16 115.29 122.72 1xn6 s HIS 106 Ca 0.00 0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 55.23 1xn6 s HIS 106 Cb 0.00 -1.89 -0.16 0.00 1.11 0.00 0.00 32.58 31.63 1xn6 s HIS 106 CO 0.00 0.55 1.26 -1.00 -0.85 0.00 0.00 174.74 174.70 1xn6 h PRO 107 N 3.27 0.65 -0.56 8.40 0.13 -1.97 -3.21 132.00 138.72 1xn6 h PRO 107 Ca -0.47 -0.64 -0.09 0.00 -0.87 0.00 0.00 66.00 63.93 1xn6 h PRO 107 Cb 1.17 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1xn6 h PRO 107 CO 0.72 1.24 -0.02 0.22 -0.23 0.00 0.00 178.00 179.93 1xn6 h ASP 108 N 0.40 0.96 -3.83 1.44 1.82 -1.98 -3.31 116.42 111.92 1xn6 h ASP 108 Ca -0.09 -0.27 -0.56 0.00 -0.39 0.00 0.00 57.03 55.72 1xn6 h ASP 108 Cb 1.57 -0.26 0.14 0.00 0.68 0.00 0.00 39.33 41.46 1xn6 h ASP 108 CO 0.18 1.03 0.47 1.21 -1.61 0.00 0.00 179.24 180.52 1xn6 n GLU 109 N -4.18 1.53 -4.57 0.28 0.00 -1.21 -4.82 120.64 107.66 1xn6 n GLU 109 Ca 0.03 0.56 -0.27 0.00 0.00 0.00 0.00 57.16 57.48 1xn6 n GLU 109 Cb 0.35 -2.45 -0.11 0.00 0.00 0.00 0.00 31.44 29.23 1xn6 n GLU 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1xn6 s ILE 110 N -1.32 2.10 0.10 6.31 -1.09 -1.26 -3.55 121.20 122.49 1xn6 s ILE 110 Ca 0.71 -2.11 0.08 0.00 -2.23 0.00 0.00 60.65 57.11 1xn6 s ILE 110 Cb -0.43 -2.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1xn6 s ILE 110 CO 0.50 -0.11 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.17 1xn6 s LEU 111 N -3.65 2.71 -0.08 2.97 1.02 -1.26 -4.97 118.68 115.42 1xn6 s LEU 111 Ca 0.34 -0.51 -0.26 0.00 0.02 0.00 0.00 54.13 53.71 1xn6 s LEU 111 Cb 0.06 -1.57 -0.22 0.00 0.02 0.00 0.00 46.19 44.48 1xn6 s LEU 111 CO 0.17 0.20 0.98 1.55 0.02 0.00 0.00 176.35 179.26 1xn6 h PRO 112 N 3.91 -0.02 -1.76 1.29 0.13 -1.95 0.74 132.00 134.35 1xn6 h PRO 112 Ca -0.49 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.25 1xn6 h PRO 112 Cb 1.16 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 1xn6 h PRO 112 CO 0.47 0.69 0.36 1.63 -0.23 0.00 0.00 178.00 180.92 1xn6 n LYS 113 N -4.75 2.08 0.06 0.86 4.76 -1.26 -4.01 118.16 115.90 1xn6 n LYS 113 Ca -0.09 -1.88 0.00 0.00 -2.87 0.00 0.00 58.31 53.47 1xn6 n LYS 113 Cb 0.35 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xn6 n ALA 114 N 0.70 0.00 -1.32 7.82 0.00 -1.23 -4.60 120.51 121.88 1xn6 n ALA 114 Ca 0.39 0.00 0.17 0.00 0.00 0.00 0.00 53.44 54.00 1xn6 n ALA 114 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 1xn6 n ALA 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xn6 n ASN 115 N -2.71 -7.84 -0.36 0.00 4.13 0.26 -4.96 115.26 103.78 1xn6 n ASN 115 Ca 0.00 0.99 0.02 0.00 1.68 0.00 0.00 54.58 57.27 1xn6 n ASN 115 Cb 0.00 -4.30 -0.01 0.00 -1.54 0.00 0.00 39.78 33.93 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xn6 n ALA 116 N -3.36 -0.88 -1.62 5.41 0.00 -1.26 -4.71 120.51 114.08 1xn6 n ALA 116 Ca -0.04 0.18 -0.54 0.00 0.00 0.00 0.00 53.44 53.04 1xn6 n ALA 116 Cb 0.62 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 1xn6 n ALA 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xn6 n LYS 117 N -2.20 1.35 -0.32 0.00 5.02 -1.26 -4.45 118.16 116.29 1xn6 n LYS 117 Ca -0.01 0.47 0.36 0.00 -2.02 0.00 0.00 58.31 57.10 1xn6 n LYS 117 Cb 0.14 -2.32 0.73 0.00 -0.02 0.00 0.00 35.03 33.57 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 9.17 0.00 -0.38 4.39 4.64 -1.64 1.45 113.55 131.17 1xn6 h SER 118 Ca -0.41 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.78 1xn6 h SER 118 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1xn6 h SER 118 CO 0.98 0.00 -0.24 0.77 -0.87 0.00 0.00 176.83 177.47 1xn6 h SER 119 N 0.00 0.91 -0.11 4.97 4.64 -1.86 0.86 113.55 122.97 1xn6 h SER 119 Ca 0.57 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1xn6 h SER 119 Cb 2.42 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 64.25 1xn6 h SER 119 CO -0.01 1.11 0.06 0.40 -0.87 0.00 0.00 176.83 177.52 1xn6 h ILE 120 N 0.77 1.07 -0.33 0.95 2.04 0.17 0.44 117.51 122.62 1xn6 h ILE 120 Ca 0.10 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1xn6 h ILE 120 Cb 0.79 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1xn6 h ILE 120 CO 0.07 0.07 0.13 0.40 0.00 0.00 0.00 178.15 178.82 1xn6 h ILE 121 N 0.09 1.18 -0.21 -0.67 1.08 -1.34 0.67 117.51 118.31 1xn6 h ILE 121 Ca 0.04 -0.56 0.03 0.00 -0.39 0.00 0.00 64.86 63.98 1xn6 h ILE 121 Cb 0.05 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 1xn6 h ILE 121 CO -0.01 0.20 0.03 -0.09 -0.69 0.00 0.00 178.15 177.59 1xn6 h ARG 122 N 0.39 0.11 0.12 2.37 2.43 -0.53 0.88 114.38 120.15 1xn6 h ARG 122 Ca 0.11 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1xn6 h ARG 122 Cb 0.18 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1xn6 h ARG 122 CO -0.01 0.07 -0.06 0.22 -1.51 0.00 0.00 179.97 178.68 1xn6 h ASP 123 N 0.11 -0.14 -0.18 -3.80 3.58 0.10 0.38 116.42 116.47 1xn6 h ASP 123 Ca 0.10 -0.21 0.05 0.00 0.42 0.00 0.00 57.03 57.39 1xn6 h ASP 123 Cb 0.10 0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.14 1xn6 h ASP 123 CO -0.14 0.13 -0.18 0.03 -2.88 0.00 0.00 179.24 176.20 1xn6 h ARG 124 N -0.42 -0.19 -0.32 0.28 3.08 0.63 0.74 114.38 118.17 1xn6 h ARG 124 Ca -0.02 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1xn6 h ARG 124 Cb 0.34 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1xn6 h ARG 124 CO 0.03 -0.13 0.17 0.52 -1.07 0.00 0.00 179.97 179.49 1xn6 h MET 125 N -0.20 0.45 -0.20 0.04 2.86 0.84 -2.12 114.93 116.60 1xn6 h MET 125 Ca 0.11 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1xn6 h MET 125 Cb 0.37 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1xn6 h MET 125 CO -0.29 0.38 0.08 1.03 1.06 0.00 0.00 176.91 179.17 1xn6 h SER 126 N 0.40 0.10 0.05 1.22 0.87 0.38 0.38 113.55 116.95 1xn6 h SER 126 Ca 0.11 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1xn6 h SER 126 Cb 0.07 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 1xn6 h SER 126 CO -0.02 0.09 -0.42 1.23 -0.53 0.00 0.00 176.83 177.18 1xn6 h GLY 127 N 0.18 -1.18 2.00 5.77 0.00 0.70 0.97 103.07 111.51 1xn6 h GLY 127 Ca 0.09 0.64 -0.01 0.00 0.00 0.00 0.00 47.33 48.04 1xn6 h GLY 127 CO -0.08 -0.30 -0.06 -1.33 0.00 0.00 0.00 176.54 174.77 1xn6 h GLY 128 N -0.57 0.00 1.06 4.60 0.00 -1.28 -1.01 103.07 105.87 1xn6 h GLY 128 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1xn6 h GLY 128 CO -0.25 0.00 -0.38 1.49 0.00 0.00 0.00 176.54 177.40 1xn6 h TRP 129 N 0.00 0.99 0.25 5.60 -0.00 0.14 0.30 115.95 123.23 1xn6 h TRP 129 Ca -0.00 -0.31 -0.00 0.00 -0.00 0.00 0.00 58.89 58.57 1xn6 h TRP 129 Cb 0.13 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 29.07 1xn6 h TRP 129 CO 0.00 1.11 -0.20 0.28 -0.00 0.00 0.00 178.44 179.63 1xn6 h VAL 130 N 0.59 0.57 0.21 1.49 2.07 0.22 1.26 116.25 122.66 1xn6 h VAL 130 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1xn6 h VAL 130 Cb 0.97 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1xn6 h VAL 130 CO 0.09 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.58 1xn6 h ALA 131 N 0.25 -0.28 -0.94 1.67 0.00 -1.38 0.40 119.26 118.98 1xn6 h ALA 131 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1xn6 h ALA 131 Cb 0.41 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1xn6 h ALA 131 CO -0.02 -0.61 0.57 0.82 0.00 0.00 0.00 179.25 180.01 1xn6 h ILE 132 N -0.37 0.87 -0.12 0.00 2.04 -0.20 1.03 117.51 120.77 1xn6 h ILE 132 Ca -0.03 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1xn6 h ILE 132 Cb 0.29 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1xn6 h ILE 132 CO 0.05 0.16 -0.19 0.58 0.00 0.00 0.00 178.15 178.75 1xn6 h VAL 133 N 0.88 1.20 -0.90 1.67 2.07 0.21 -0.64 116.25 120.74 1xn6 h VAL 133 Ca 0.48 -0.90 -0.58 0.00 0.82 0.00 0.00 66.70 66.52 1xn6 h VAL 133 Cb 0.52 1.33 -0.40 0.00 -1.52 0.00 0.00 31.29 31.21 1xn6 h VAL 133 CO -0.29 0.27 -0.47 0.59 0.02 0.00 0.00 177.57 177.70 1xn6 n ASN 134 N -4.23 5.46 0.06 0.57 3.02 0.15 -3.08 115.26 117.21 1xn6 n ASN 134 Ca -0.01 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1xn6 n ASN 134 Cb 0.30 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 -0.72 0.00 -0.07 3.52 -0.58 0.31 -4.88 120.64 118.22 1xn6 n GLU 135 Ca 0.47 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 57.10 1xn6 n GLU 135 Cb 0.87 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.70 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 -2.87 0.41 -0.05 3.49 5.02 -0.30 -4.04 118.16 119.81 1xn6 n LYS 136 Ca 0.00 0.17 -0.01 0.00 -2.02 0.00 0.00 58.31 56.44 1xn6 n LYS 136 Cb 0.00 -1.21 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 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 -4.14 -0.13 -0.10 -0.35 -0.00 -0.89 0.20 117.00 111.59 1xn6 n LEU 137 Ca -0.18 1.01 -0.08 0.00 -0.00 0.00 0.00 56.01 56.75 1xn6 n LEU 137 Cb 0.49 -0.42 -0.02 0.00 -0.00 0.00 0.00 43.42 43.47 1xn6 n LEU 137 CO 0.12 -0.57 0.64 0.50 -0.00 0.00 0.00 177.39 178.08 1xn6 h LYS 138 N 0.00 -0.27 -0.77 1.96 3.64 -1.79 0.24 116.57 119.59 1xn6 h LYS 138 Ca 0.02 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.60 1xn6 h LYS 138 Cb 0.05 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 31.81 1xn6 h LYS 138 CO -0.12 -0.18 0.12 -0.22 -2.27 0.00 0.00 179.45 176.78 1xn6 h LYS 139 N -0.28 0.18 0.49 1.90 3.64 -0.77 1.43 116.57 123.17 1xn6 h LYS 139 Ca 0.16 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1xn6 h LYS 139 Cb 0.54 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1xn6 h LYS 139 CO -0.50 0.12 -0.27 0.28 -2.27 0.00 0.00 179.45 176.81 1xn6 h VAL 140 N 0.19 0.45 0.39 2.00 2.07 0.53 1.55 116.25 123.43 1xn6 h VAL 140 Ca 0.44 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.95 1xn6 h VAL 140 Cb 0.79 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1xn6 h VAL 140 CO -0.60 0.00 -0.38 0.58 0.02 0.00 0.00 177.57 177.19 1xn6 h VAL 141 N -0.70 0.22 -0.75 2.57 2.07 0.15 -1.67 116.25 118.14 1xn6 h VAL 141 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1xn6 h VAL 141 Cb 0.56 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1xn6 h VAL 141 CO 0.09 0.00 0.49 -0.08 0.02 0.00 0.00 177.57 178.09 1xn6 h GLU 142 N -0.79 0.68 0.00 1.57 4.81 0.20 -3.49 114.58 117.56 1xn6 h GLU 142 Ca -0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xn6 h GLU 142 Cb 0.71 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1xn6 h GLU 142 CO -0.06 0.45 0.00 0.41 -0.73 0.00 0.00 179.01 179.08