#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 1.94 0.97 2.12 -1.05 -1.26 -5.15 118.70 116.27 1xn6 s GLU 2 Ca 0.00 -1.26 -0.17 0.00 -0.15 0.00 0.00 54.97 53.39 1xn6 s GLU 2 Cb 0.00 0.58 -0.13 0.00 -0.44 0.00 0.00 34.13 34.14 1xn6 s GLU 2 CO 0.00 -0.88 -0.65 1.04 0.95 0.00 0.00 175.26 175.72 1xn6 n GLN 3 N -0.49 -0.02 -1.65 -4.83 1.13 -1.26 -4.79 117.38 105.47 1xn6 n GLN 3 Ca -0.05 -0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.61 1xn6 n GLN 3 Cb 0.60 -1.09 0.03 0.00 0.11 0.00 0.00 30.24 29.89 1xn6 n GLN 3 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1xn6 n GLN 4 N 2.03 1.42 -4.04 -1.09 3.00 -1.26 -5.00 117.38 112.43 1xn6 n GLN 4 Ca -0.01 0.52 -0.12 0.00 -0.01 0.00 0.00 57.00 57.39 1xn6 n GLN 4 Cb 0.55 -2.23 -0.05 0.00 0.00 0.00 0.00 30.24 28.52 1xn6 n GLN 4 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1xn6 s ASN 5 N -0.84 0.32 0.20 1.08 0.01 -1.26 -5.13 114.94 109.32 1xn6 s ASN 5 Ca 0.67 -1.20 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 1xn6 s ASN 5 Cb -0.49 0.61 0.00 0.00 0.41 0.00 0.00 41.25 41.78 1xn6 s ASN 5 CO 0.54 -1.20 0.00 0.41 -1.51 0.00 0.00 177.10 175.34 1xn6 n THR 6 N -0.45 0.00 -3.32 1.60 -1.04 -1.26 -4.79 114.28 105.02 1xn6 n THR 6 Ca -0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.75 1xn6 n THR 6 Cb 0.62 -0.19 -0.01 0.00 -1.82 0.00 0.00 70.33 68.93 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 0.00 4.00 0.41 -4.42 1.43 0.36 -4.75 118.68 115.71 1xn6 s LEU 7 Ca 0.00 0.53 0.08 0.00 -1.03 0.00 0.00 54.13 53.71 1xn6 s LEU 7 Cb 0.00 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 1xn6 s LEU 7 CO 0.00 -0.29 0.28 0.20 0.23 0.00 0.00 176.35 176.77 1xn6 s ASN 8 N -3.86 4.78 -0.25 2.29 0.01 -1.26 -4.95 114.94 111.70 1xn6 s ASN 8 Ca 0.41 -0.87 -0.15 0.00 -0.71 0.00 0.00 52.86 51.54 1xn6 s ASN 8 Cb -0.10 -0.56 -0.04 0.00 0.41 0.00 0.00 41.25 40.96 1xn6 s ASN 8 CO 0.36 -0.57 0.39 -1.81 -1.51 0.00 0.00 177.10 173.95 1xn6 s ASP 9 N -4.01 6.33 -0.84 -1.22 1.01 -1.26 -4.94 116.67 111.73 1xn6 s ASP 9 Ca 0.44 0.38 -0.23 0.00 0.71 0.00 0.00 52.55 53.85 1xn6 s ASP 9 Cb -0.00 -2.22 -0.18 0.00 1.01 0.00 0.00 42.92 41.53 1xn6 s ASP 9 CO 0.25 -0.15 2.32 -0.38 0.21 0.00 0.00 175.17 177.42 1xn6 n ILE 10 N 4.84 0.00 -3.47 0.77 5.41 -1.16 -4.78 119.36 120.96 1xn6 n ILE 10 Ca -0.08 -0.44 -0.37 0.00 1.00 0.00 0.00 62.75 62.85 1xn6 n ILE 10 Cb 0.51 -1.69 -0.06 0.00 -0.71 0.00 0.00 39.64 37.68 1xn6 n ILE 10 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xn6 s LYS 11 N 8.55 4.19 -0.49 0.38 2.20 -1.23 -2.85 119.74 130.50 1xn6 s LYS 11 Ca 0.95 0.26 0.03 0.00 -0.36 0.00 0.00 55.97 56.85 1xn6 s LYS 11 Cb -0.22 -3.38 0.15 0.00 -1.51 0.00 0.00 37.83 32.87 1xn6 s LYS 11 CO 0.16 0.32 0.32 -0.65 -0.36 0.00 0.00 175.35 175.13 1xn6 s GLN 12 N 0.18 1.43 -0.22 4.03 -0.21 -0.14 -4.91 119.66 119.82 1xn6 s GLN 12 Ca 0.21 -2.30 -0.29 0.00 0.02 0.00 0.00 55.36 52.99 1xn6 s GLN 12 Cb -0.14 -2.33 0.01 0.00 1.00 0.00 0.00 33.01 31.55 1xn6 s GLN 12 CO 0.08 -1.24 1.03 0.99 -2.12 0.00 0.00 175.29 174.02 1xn6 s THR 13 N -0.09 4.69 0.02 -0.19 2.01 -1.26 -2.42 115.64 118.41 1xn6 s THR 13 Ca 0.23 2.02 -0.06 0.00 0.31 0.00 0.00 61.69 64.18 1xn6 s THR 13 Cb -0.13 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 1xn6 s THR 13 CO -0.08 -0.16 0.11 -0.51 -0.69 0.00 0.00 174.62 173.29 1xn6 s ILE 14 N 3.09 0.11 -0.19 1.82 2.07 0.17 -5.00 121.20 123.26 1xn6 s ILE 14 Ca 0.44 -0.89 -0.02 0.00 -1.41 0.00 0.00 60.65 58.78 1xn6 s ILE 14 Cb -0.15 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.79 1xn6 s ILE 14 CO 0.07 -0.49 -0.11 -0.69 -1.91 0.00 0.00 174.94 171.81 1xn6 s VAL 15 N -1.98 2.86 0.20 4.00 1.01 -1.26 0.65 120.40 125.89 1xn6 s VAL 15 Ca -0.10 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1xn6 s VAL 15 Cb -0.05 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1xn6 s VAL 15 CO -0.01 0.48 0.14 -0.36 0.00 0.00 0.00 175.10 175.34 1xn6 s PHE 16 N 1.28 3.08 -1.31 5.22 0.08 -0.72 -4.96 117.98 120.65 1xn6 s PHE 16 Ca 0.03 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 1xn6 s PHE 16 Cb -0.14 -1.44 0.14 0.00 -0.57 0.00 0.00 43.02 41.01 1xn6 s PHE 16 CO -0.05 0.53 2.09 -1.71 -0.10 0.00 0.00 175.22 175.97 1xn6 n ASN 17 N -0.66 6.24 -3.25 1.36 2.85 -1.26 -2.11 115.26 118.43 1xn6 n ASN 17 Ca -0.08 -3.11 -0.11 0.00 -0.11 0.00 0.00 54.58 51.18 1xn6 n ASN 17 Cb 0.56 -1.44 -0.01 0.00 1.24 0.00 0.00 39.78 40.13 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 -0.11 -0.24 0.32 5.20 0.00 0.31 -4.85 121.76 122.40 1xn6 s ALA 18 Ca 0.46 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.46 1xn6 s ALA 18 Cb 0.13 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 1xn6 s ALA 18 CO -0.03 -0.91 0.50 -1.12 0.00 0.00 0.00 175.76 174.19 1xn6 s SER 19 N -3.10 6.28 0.26 0.00 0.01 -1.26 -1.74 113.70 114.15 1xn6 s SER 19 Ca 0.21 0.32 -0.03 0.00 1.31 0.00 0.00 55.95 57.76 1xn6 s SER 19 Cb -0.03 -1.95 0.45 0.00 0.21 0.00 0.00 66.02 64.70 1xn6 s SER 19 CO 0.14 -0.25 1.81 -0.29 0.41 0.00 0.00 173.24 175.06 1xn6 h ILE 20 N 0.87 0.89 -0.36 1.44 2.10 -1.91 0.52 117.51 121.05 1xn6 h ILE 20 Ca -0.50 -0.28 -0.08 0.00 1.08 0.00 0.00 64.86 65.07 1xn6 h ILE 20 Cb 1.22 -0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 36.93 1xn6 h ILE 20 CO 0.61 0.15 -0.12 1.56 -1.08 0.00 0.00 178.15 179.27 1xn6 h GLN 21 N 0.82 0.63 0.36 2.19 1.08 -1.94 0.54 115.11 118.79 1xn6 h GLN 21 Ca 0.43 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.42 1xn6 h GLN 21 Cb 0.43 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1xn6 h GLN 21 CO -0.27 0.73 -0.17 -0.22 -0.95 0.00 0.00 178.83 177.96 1xn6 h LYS 22 N 0.57 -0.46 -0.96 1.46 3.64 -1.19 -0.70 116.57 118.93 1xn6 h LYS 22 Ca 0.10 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1xn6 h LYS 22 Cb 0.54 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 1xn6 h LYS 22 CO 0.03 -0.14 0.63 0.28 -2.27 0.00 0.00 179.45 177.98 1xn6 h VAL 23 N -0.93 1.18 -0.54 2.00 2.07 -0.06 -0.95 116.25 119.02 1xn6 h VAL 23 Ca -0.05 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1xn6 h VAL 23 Cb 0.53 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1xn6 h VAL 23 CO 0.08 0.22 0.29 -0.25 0.02 0.00 0.00 177.57 177.94 1xn6 h TRP 24 N 1.23 0.54 -0.32 1.57 2.91 0.11 0.12 115.95 122.11 1xn6 h TRP 24 Ca 0.38 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.49 1xn6 h TRP 24 Cb -0.03 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.45 1xn6 h TRP 24 CO -0.01 0.27 0.22 1.03 -1.03 0.00 0.00 178.44 178.93 1xn6 h SER 25 N 0.56 0.08 0.00 2.65 0.87 0.22 0.96 113.55 118.89 1xn6 h SER 25 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1xn6 h SER 25 Cb 0.11 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1xn6 h SER 25 CO -0.15 0.05 0.00 0.52 -0.53 0.00 0.00 176.83 176.72 1xn6 n VAL 26 N -4.46 0.00 -2.70 2.23 0.31 0.39 -3.35 118.33 110.75 1xn6 n VAL 26 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.31 1xn6 n VAL 26 Cb 0.34 -0.50 0.07 0.00 -0.91 0.00 0.00 33.84 32.84 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 -0.97 0.66 -1.88 2.52 0.24 0.32 -4.19 118.33 115.02 1xn6 n VAL 27 Ca 0.22 -2.39 -0.05 0.00 -2.04 0.00 0.00 64.34 60.07 1xn6 n VAL 27 Cb 0.10 0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.44 -0.74 -2.42 -1.34 3.41 -0.40 -4.91 113.62 106.77 1xn6 n SER 28 Ca 0.03 -1.51 -0.11 0.00 -0.26 0.00 0.00 58.87 57.01 1xn6 n SER 28 Cb 0.83 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 1xn6 n SER 28 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xn6 n THR 29 N 0.00 0.00 -0.09 6.66 -2.24 -1.26 -4.92 114.28 112.43 1xn6 n THR 29 Ca -0.21 -1.40 -0.10 0.00 -2.27 0.00 0.00 64.05 60.07 1xn6 n THR 29 Cb 0.59 0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 69.48 1xn6 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xn6 n ALA 30 N -1.45 1.59 0.12 6.98 0.00 -1.26 -3.95 120.51 122.53 1xn6 n ALA 30 Ca -0.09 -0.97 -0.24 0.00 0.00 0.00 0.00 53.44 52.14 1xn6 n ALA 30 Cb 0.40 -0.04 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 1xn6 n ALA 30 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xn6 h GLU 31 N 0.00 0.48 0.31 0.00 4.81 -1.96 -2.32 114.58 115.90 1xn6 h GLU 31 Ca -0.44 -0.82 -0.02 0.00 -0.13 0.00 0.00 59.36 57.95 1xn6 h GLU 31 Cb 1.87 0.31 0.00 0.00 0.63 0.00 0.00 28.75 31.55 1xn6 h GLU 31 CO -0.02 1.39 -0.15 0.78 -0.73 0.00 0.00 179.01 180.29 1xn6 h GLY 32 N 0.16 -0.44 0.96 1.92 0.00 -1.85 -1.75 103.07 102.06 1xn6 h GLY 32 Ca -0.26 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1xn6 h GLY 32 CO 0.24 -0.16 0.15 -2.22 0.00 0.00 0.00 176.54 174.55 1xn6 h ILE 33 N -0.55 1.11 0.00 2.60 2.04 -1.71 -0.15 117.51 120.85 1xn6 h ILE 33 Ca -0.04 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1xn6 h ILE 33 Cb 0.41 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1xn6 h ILE 33 CO 0.07 0.11 0.26 0.00 0.00 0.00 0.00 178.15 178.59 1xn6 h ALA 34 N 1.03 1.26 -0.04 1.87 0.00 -1.33 1.25 119.26 123.31 1xn6 h ALA 34 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xn6 h ALA 34 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xn6 h ALA 34 CO -0.02 -0.26 0.00 0.45 0.00 0.00 0.00 179.25 179.43 1xn6 n SER 35 N -2.90 0.27 -2.67 0.00 2.88 -0.07 -3.86 113.62 107.28 1xn6 n SER 35 Ca -0.02 -1.69 -0.04 0.00 -1.33 0.00 0.00 58.87 55.79 1xn6 n SER 35 Cb 0.31 -0.02 0.11 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.50 -0.69 0.00 0.66 4.27 0.42 -4.60 117.44 117.00 1xn6 n TRP 36 Ca 0.09 -0.88 0.00 0.00 -3.89 0.00 0.00 57.50 52.82 1xn6 n TRP 36 Cb 0.08 1.22 0.00 0.00 -1.36 0.00 0.00 31.31 31.25 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 0.52 0.00 0.00 -2.67 7.35 -0.69 -4.92 117.46 117.05 1xn6 n PHE 37 Ca -0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1xn6 n PHE 37 Cb 0.75 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.58 1xn6 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xn6 n MET 38 N 0.00 0.00 -2.39 -4.13 0.00 -1.25 -5.01 117.12 104.33 1xn6 n MET 38 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 1xn6 n MET 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 1xn6 n MET 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1xn6 s PRO 39 N -2.00 4.08 0.36 3.17 0.04 -1.26 -3.81 135.00 135.57 1xn6 s PRO 39 Ca 0.00 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 1xn6 s PRO 39 Cb 0.00 -3.83 0.04 0.00 0.04 0.00 0.00 34.50 30.75 1xn6 s PRO 39 CO 0.00 -0.91 0.72 0.54 0.04 0.00 0.00 177.00 177.38 1xn6 s ASN 40 N 2.47 0.11 -0.84 6.66 6.03 -1.26 -3.23 114.94 124.89 1xn6 s ASN 40 Ca 0.57 -1.12 0.02 0.00 -1.03 0.00 0.00 52.86 51.30 1xn6 s ASN 40 Cb -0.20 0.79 0.33 0.00 -3.03 0.00 0.00 41.25 39.14 1xn6 s ASN 40 CO 0.19 -1.56 1.46 -0.67 -2.03 0.00 0.00 177.10 174.49 1xn6 n ASP 41 N -1.23 6.15 -3.81 3.54 -0.08 -1.25 -4.78 116.55 115.10 1xn6 n ASP 41 Ca -0.06 -3.69 -0.39 0.00 -1.51 0.00 0.00 54.79 49.14 1xn6 n ASP 41 Cb 0.60 -0.91 -0.01 0.00 2.34 0.00 0.00 41.12 43.14 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 -0.15 -1.23 -4.33 -0.67 7.35 -1.26 -4.88 117.46 112.30 1xn6 n PHE 42 Ca 0.40 0.68 -0.21 0.00 -0.76 0.00 0.00 57.45 57.56 1xn6 n PHE 42 Cb 0.32 -1.63 -0.16 0.00 0.35 0.00 0.00 39.48 38.36 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 -1.21 0.74 -1.15 -2.13 0.11 -1.26 -4.63 120.40 110.87 1xn6 s VAL 43 Ca 0.54 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 59.24 1xn6 s VAL 43 Cb -0.67 -0.70 0.26 0.00 -1.53 0.00 0.00 36.38 33.74 1xn6 s VAL 43 CO 0.52 0.26 1.47 -0.11 -3.33 0.00 0.00 175.10 173.91 1xn6 n LEU 44 N 3.73 6.11 -3.85 2.54 7.94 -1.26 -4.91 117.00 127.30 1xn6 n LEU 44 Ca -0.22 -4.97 -0.12 0.00 -1.11 0.00 0.00 56.01 49.59 1xn6 n LEU 44 Cb 0.52 -1.41 -0.10 0.00 0.53 0.00 0.00 43.42 42.96 1xn6 n LEU 44 CO 0.24 1.43 -0.15 -1.61 -1.11 0.00 0.00 177.39 176.19 1xn6 s GLU 45 N -1.26 0.44 0.18 1.96 0.41 -1.26 -5.11 118.70 114.06 1xn6 s GLU 45 Ca 0.34 -0.23 -0.30 0.00 -0.41 0.00 0.00 54.97 54.37 1xn6 s GLU 45 Cb 0.01 0.19 -0.08 0.00 -1.78 0.00 0.00 34.13 32.47 1xn6 s GLU 45 CO 0.03 -0.10 1.19 0.08 -0.49 0.00 0.00 175.26 175.96 1xn6 s VAL 46 N -1.04 3.62 -1.14 2.63 1.01 -1.26 -2.80 120.40 121.42 1xn6 s VAL 46 Ca -0.11 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1xn6 s VAL 46 Cb -0.06 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1xn6 s VAL 46 CO 0.02 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1xn6 n GLY 47 N 2.21 -0.39 3.51 4.51 0.00 -0.59 -4.91 105.19 109.53 1xn6 n GLY 47 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.62 3.21 0.30 1.61 5.04 -1.12 -4.83 115.29 116.88 1xn6 s HIS 48 Ca 0.00 -0.29 -0.06 0.00 -1.54 0.00 0.00 55.06 53.17 1xn6 s HIS 48 Cb 0.00 -2.65 -0.06 0.00 0.04 0.00 0.00 32.58 29.92 1xn6 s HIS 48 CO 0.00 -0.51 0.59 -1.83 -2.34 0.00 0.00 174.74 170.65 1xn6 s GLU 49 N 1.88 3.67 0.19 2.88 -1.05 -1.26 -2.83 118.70 122.18 1xn6 s GLU 49 Ca 0.09 0.11 -0.00 0.00 -0.15 0.00 0.00 54.97 55.01 1xn6 s GLU 49 Cb -0.17 -2.60 0.00 0.00 -0.44 0.00 0.00 34.13 30.91 1xn6 s GLU 49 CO 0.11 0.18 0.25 1.97 0.95 0.00 0.00 175.26 178.73 1xn6 n PHE 50 N -0.93 -0.93 -4.68 4.83 -1.74 -0.48 -4.99 117.46 108.55 1xn6 n PHE 50 Ca -0.01 -1.31 -0.33 0.00 -0.56 0.00 0.00 57.45 55.24 1xn6 n PHE 50 Cb 0.54 0.29 -0.12 0.00 1.52 0.00 0.00 39.48 41.70 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 -3.74 2.88 0.25 2.97 3.76 -1.26 -3.19 115.29 116.95 1xn6 s HIS 51 Ca 0.17 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 54.98 1xn6 s HIS 51 Cb -0.00 -1.74 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 1xn6 s HIS 51 CO 0.12 0.19 -0.01 0.08 -0.85 0.00 0.00 174.74 174.27 1xn6 s VAL 52 N -0.51 1.16 -0.13 -0.90 1.01 -1.25 -3.83 120.40 115.95 1xn6 s VAL 52 Ca 0.07 -2.05 0.01 0.00 0.00 0.00 0.00 61.98 60.02 1xn6 s VAL 52 Cb -0.12 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1xn6 s VAL 52 CO 0.02 -0.30 -0.17 -1.10 0.00 0.00 0.00 175.10 173.55 1xn6 s GLN 53 N -3.84 3.26 0.39 2.72 -0.21 -1.20 -3.67 119.66 117.12 1xn6 s GLN 53 Ca 0.29 -0.75 0.06 0.00 0.02 0.00 0.00 55.36 54.98 1xn6 s GLN 53 Cb 0.05 -2.53 -0.08 0.00 1.00 0.00 0.00 33.01 31.45 1xn6 s GLN 53 CO 0.10 0.17 0.02 -1.12 -2.12 0.00 0.00 175.29 172.33 1xn6 s SER 54 N 0.43 3.58 0.48 5.90 0.01 -1.09 -4.58 113.70 118.44 1xn6 s SER 54 Ca -0.12 -1.37 0.27 0.00 1.31 0.00 0.00 55.95 56.04 1xn6 s SER 54 Cb -0.16 -0.34 0.83 0.00 0.21 0.00 0.00 66.02 66.56 1xn6 s SER 54 CO 0.06 -0.48 1.79 1.55 0.41 0.00 0.00 173.24 176.57 1xn6 h PRO 55 N 1.84 0.00 0.00 12.44 0.13 -2.00 -3.34 132.00 141.08 1xn6 h PRO 55 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1xn6 h PRO 55 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xn6 h PRO 55 CO 0.79 0.04 -0.74 0.34 -0.23 0.00 0.00 178.00 178.20 1xn6 n PHE 56 N -3.12 0.61 -2.42 1.56 7.35 -1.26 -5.11 117.46 115.07 1xn6 n PHE 56 Ca 0.02 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 1xn6 n PHE 56 Cb 0.43 -0.70 0.00 0.00 0.35 0.00 0.00 39.48 39.56 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xn6 n GLY 57 N 1.55 2.18 3.69 7.13 0.00 -1.26 -5.13 105.19 113.36 1xn6 n GLY 57 Ca -0.11 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1xn6 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn6 s PRO 58 N 0.74 4.37 -0.32 1.61 0.04 -1.26 -2.65 135.00 137.52 1xn6 s PRO 58 Ca 0.00 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 1xn6 s PRO 58 Cb 0.00 -3.52 0.11 0.00 0.04 0.00 0.00 34.50 31.14 1xn6 s PRO 58 CO 0.00 -0.41 0.15 0.45 0.04 0.00 0.00 177.00 177.23 1xn6 s SER 59 N 1.41 3.55 0.86 6.66 0.15 -1.24 -4.93 113.70 120.16 1xn6 s SER 59 Ca 0.57 -1.70 -0.12 0.00 0.70 0.00 0.00 55.95 55.40 1xn6 s SER 59 Cb -0.26 -0.55 0.11 0.00 -1.71 0.00 0.00 66.02 63.61 1xn6 s SER 59 CO 0.24 -0.39 1.12 -2.16 1.20 0.00 0.00 173.24 173.25 1xn6 s PRO 60 N 1.59 1.56 0.07 5.44 0.04 -1.26 -3.87 135.00 138.57 1xn6 s PRO 60 Ca 0.12 0.44 -0.11 0.00 0.04 0.00 0.00 61.00 61.49 1xn6 s PRO 60 Cb -0.19 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1xn6 s PRO 60 CO -0.22 -1.94 0.25 0.00 0.04 0.00 0.00 177.00 175.12 1xn6 s LYS 62 N -3.23 0.16 0.42 0.00 2.20 -1.21 -1.38 119.74 116.71 1xn6 s LYS 62 Ca -0.00 0.15 -0.26 0.00 -0.36 0.00 0.00 55.97 55.51 1xn6 s LYS 62 Cb 0.02 -0.44 -0.08 0.00 -1.51 0.00 0.00 37.83 35.81 1xn6 s LYS 62 CO -0.08 -0.18 1.32 0.08 -0.36 0.00 0.00 175.35 176.14 1xn6 s VAL 63 N 1.23 2.51 -0.24 4.02 1.01 -1.13 -1.34 120.40 126.46 1xn6 s VAL 63 Ca -0.07 0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1xn6 s VAL 63 Cb -0.13 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 1xn6 s VAL 63 CO -0.02 0.06 -0.34 0.18 0.00 0.00 0.00 175.10 174.97 1xn6 n LEU 64 N -0.01 1.90 -4.13 3.92 4.77 -0.78 -1.54 117.00 121.12 1xn6 n LEU 64 Ca 0.04 0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1xn6 n LEU 64 Cb 0.43 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 1xn6 n LEU 64 CO 0.56 0.27 -0.39 -0.70 -1.33 0.00 0.00 177.39 175.79 1xn6 s GLU 65 N -2.63 0.73 -0.02 3.23 2.56 -1.17 -4.47 118.70 116.93 1xn6 s GLU 65 Ca -0.34 -1.15 0.01 0.00 0.00 0.00 0.00 54.97 53.49 1xn6 s GLU 65 Cb 0.11 -0.23 0.02 0.00 2.00 0.00 0.00 34.13 36.02 1xn6 s GLU 65 CO 0.45 0.00 -0.02 0.42 -0.56 0.00 0.00 175.26 175.56 1xn6 s ILE 66 N -2.89 0.26 -0.44 -3.70 1.01 -1.26 -1.89 121.20 112.28 1xn6 s ILE 66 Ca 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1xn6 s ILE 66 Cb 0.00 -0.30 0.22 0.00 0.01 0.00 0.00 42.46 42.39 1xn6 s ILE 66 CO -0.03 0.13 0.92 0.47 0.00 0.00 0.00 174.94 176.43 1xn6 n ASP 67 N 3.74 -2.57 -0.26 3.58 8.00 -0.07 -4.98 116.55 123.99 1xn6 n ASP 67 Ca -0.22 -2.35 0.01 0.00 0.71 0.00 0.00 54.79 52.93 1xn6 n ASP 67 Cb 0.53 1.38 0.08 0.00 -0.02 0.00 0.00 41.12 43.09 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 4.36 -0.02 -2.68 -1.24 4.81 -1.98 1.33 114.58 119.16 1xn6 h GLU 68 Ca -0.04 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.90 1xn6 h GLU 68 Cb 1.12 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1xn6 h GLU 68 CO 0.02 -0.01 1.26 -0.35 -0.73 0.00 0.00 179.01 179.19 1xn6 n PRO 69 N -5.49 2.05 0.00 0.92 -0.04 -1.26 -3.92 135.00 127.26 1xn6 n PRO 69 Ca 0.10 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1xn6 n PRO 69 Cb 0.38 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 3.19 0.00 0.00 3.54 4.05 -0.44 -5.13 115.26 120.46 1xn6 n ASN 70 Ca 0.44 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.47 1xn6 n ASN 70 Cb 0.47 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.48 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 -3.67 1.20 1.44 0.45 -1.93 115.22 112.71 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 -0.04 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 0.34 0.10 2.39 2.34 -1.25 -0.89 118.68 121.71 1xn6 s LEU 72 Ca 0.00 -0.38 0.03 0.00 0.06 0.00 0.00 54.13 53.84 1xn6 s LEU 72 Cb 0.00 1.88 -0.04 0.00 -0.56 0.00 0.00 46.19 47.47 1xn6 s LEU 72 CO 0.00 -0.90 -0.09 -0.94 -1.06 0.00 0.00 176.35 173.36 1xn6 s SER 73 N -2.83 1.35 -0.19 1.48 1.04 -0.79 -3.35 113.70 110.41 1xn6 s SER 73 Ca 0.05 -0.89 -0.22 0.00 0.48 0.00 0.00 55.95 55.37 1xn6 s SER 73 Cb 0.01 0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.23 1xn6 s SER 73 CO -0.09 -0.34 0.60 0.72 0.98 0.00 0.00 173.24 175.12 1xn6 s PHE 74 N -2.88 -0.64 0.42 5.02 -0.71 -1.07 -1.87 117.98 116.25 1xn6 s PHE 74 Ca 0.08 1.47 -0.03 0.00 -1.04 0.00 0.00 56.93 57.41 1xn6 s PHE 74 Cb 0.00 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 1xn6 s PHE 74 CO -0.01 -0.37 0.68 -1.54 -1.34 0.00 0.00 175.22 172.64 1xn6 s SER 75 N -0.03 6.28 -0.24 1.98 1.04 -0.45 -2.43 113.70 119.86 1xn6 s SER 75 Ca -0.03 0.73 -0.00 0.00 0.48 0.00 0.00 55.95 57.13 1xn6 s SER 75 Cb -0.04 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.95 1xn6 s SER 75 CO 0.03 -0.45 -0.09 0.86 0.98 0.00 0.00 173.24 174.56 1xn6 s TRP 76 N -2.55 3.05 0.98 5.02 -0.11 0.23 -3.28 118.94 122.28 1xn6 s TRP 76 Ca 0.44 -1.69 -0.16 0.00 1.22 0.00 0.00 56.10 55.91 1xn6 s TRP 76 Cb -0.10 -2.01 0.20 0.00 -1.50 0.00 0.00 33.47 30.06 1xn6 s TRP 76 CO 0.41 -0.77 1.30 0.34 -4.62 0.00 0.00 176.95 173.61 1xn6 s ASP 77 N 1.28 2.95 0.00 5.86 -1.08 -0.58 -1.48 116.67 123.61 1xn6 s ASP 77 Ca -0.00 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 1xn6 s ASP 77 Cb -0.17 -0.39 0.00 0.00 -1.46 0.00 0.00 42.92 40.90 1xn6 s ASP 77 CO -0.06 -2.84 0.00 0.41 0.52 0.00 0.00 175.17 173.20 1xn6 n THR 78 N -3.85 0.00 0.00 1.71 -1.04 -1.26 -3.94 114.28 105.90 1xn6 n THR 78 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1xn6 n THR 78 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 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 1.76 0.00 0.00 8.00 8.00 -1.26 -4.89 116.55 128.16 1xn6 n ASP 79 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1xn6 n ASP 79 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 1.87 0.90 3.33 0.44 0.00 -0.55 -4.56 105.19 106.61 1xn6 n GLY 80 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.30 1.69 -0.06 1.61 0.51 -1.12 -4.85 118.94 116.43 1xn6 s TRP 81 Ca 0.00 -0.55 0.05 0.00 -2.12 0.00 0.00 56.10 53.48 1xn6 s TRP 81 Cb 0.00 -0.81 -0.00 0.00 -0.81 0.00 0.00 33.47 31.84 1xn6 s TRP 81 CO 0.00 0.32 -0.20 0.08 -0.51 0.00 0.00 176.95 176.64 1xn6 s VAL 82 N -2.65 1.69 0.00 4.03 1.01 0.26 0.77 120.40 125.52 1xn6 s VAL 82 Ca 0.19 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1xn6 s VAL 82 Cb -0.02 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1xn6 s VAL 82 CO 0.06 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.84 1xn6 s VAL 83 N 0.07 0.90 -0.04 2.92 1.01 -1.02 -0.31 120.40 123.92 1xn6 s VAL 83 Ca -0.07 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1xn6 s VAL 83 Cb -0.13 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.50 1xn6 s VAL 83 CO 0.04 0.18 0.33 -0.94 0.00 0.00 0.00 175.10 174.71 1xn6 s SER 84 N -0.47 -0.25 -0.22 3.32 1.04 0.83 -2.60 113.70 115.35 1xn6 s SER 84 Ca 0.03 0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.73 1xn6 s SER 84 Cb -0.05 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1xn6 s SER 84 CO -0.00 -0.38 -0.14 -0.36 0.98 0.00 0.00 173.24 173.34 1xn6 s PHE 85 N -0.98 2.89 0.38 5.02 0.08 -1.21 -0.32 117.98 123.83 1xn6 s PHE 85 Ca -0.10 -1.92 -0.18 0.00 0.12 0.00 0.00 56.93 54.84 1xn6 s PHE 85 Cb -0.04 -1.85 -0.10 0.00 -0.57 0.00 0.00 43.02 40.45 1xn6 s PHE 85 CO 0.04 -0.82 0.85 -0.51 -0.10 0.00 0.00 175.22 174.67 1xn6 s ASP 86 N 1.24 6.87 -0.05 1.36 1.11 -0.01 -3.90 116.67 123.29 1xn6 s ASP 86 Ca -0.03 1.50 0.01 0.00 0.18 0.00 0.00 52.55 54.21 1xn6 s ASP 86 Cb -0.17 -2.46 0.02 0.00 1.07 0.00 0.00 42.92 41.38 1xn6 s ASP 86 CO -0.08 -0.28 -0.05 -0.76 1.18 0.00 0.00 175.17 175.18 1xn6 s LEU 87 N -3.06 1.26 -0.14 1.23 1.02 -0.81 -2.45 118.68 115.73 1xn6 s LEU 87 Ca 0.58 -0.14 -0.00 0.00 0.02 0.00 0.00 54.13 54.59 1xn6 s LEU 87 Cb -0.10 -0.49 0.03 0.00 0.02 0.00 0.00 46.19 45.65 1xn6 s LEU 87 CO 0.15 -0.07 -0.10 -0.75 0.02 0.00 0.00 176.35 175.61 1xn6 s LYS 88 N 1.05 1.82 -0.33 1.70 2.20 -0.95 -4.70 119.74 120.53 1xn6 s LYS 88 Ca -0.09 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.78 1xn6 s LYS 88 Cb -0.14 -1.90 -0.01 0.00 -1.51 0.00 0.00 37.83 34.27 1xn6 s LYS 88 CO -0.01 -0.30 1.60 0.34 -0.36 0.00 0.00 175.35 176.63 1xn6 s ASP 89 N 1.59 6.20 -0.23 1.43 2.15 -1.26 -1.49 116.67 125.06 1xn6 s ASP 89 Ca 0.04 1.22 -0.01 0.00 0.43 0.00 0.00 52.55 54.22 1xn6 s ASP 89 Cb -0.13 -2.53 -0.19 0.00 -0.30 0.00 0.00 42.92 39.77 1xn6 s ASP 89 CO -0.09 -1.47 -0.10 0.18 -0.17 0.00 0.00 175.17 173.51 1xn6 n LEU 90 N 9.20 2.81 0.00 -1.34 4.77 -1.15 -4.99 117.00 126.31 1xn6 n LEU 90 Ca 0.19 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1xn6 n LEU 90 Cb 0.47 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1xn6 n LEU 90 CO 0.68 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 1xn6 n GLY 91 N 2.12 -0.62 3.10 -0.72 0.00 -0.83 -4.95 105.19 103.29 1xn6 n GLY 91 Ca -0.43 -2.19 -0.19 0.00 0.00 0.00 0.00 46.02 43.20 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 -3.48 -2.79 1.61 9.92 -1.26 0.19 116.55 120.74 1xn6 n ASP 92 Ca 0.00 -0.20 -0.21 0.00 -0.53 0.00 0.00 54.79 53.85 1xn6 n ASP 92 Cb 0.00 -2.92 0.03 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 -2.11 -5.93 -4.22 -2.24 4.13 -1.26 -4.90 115.26 98.73 1xn6 n ASN 93 Ca -0.04 -0.23 -0.20 0.00 1.68 0.00 0.00 54.58 55.78 1xn6 n ASN 93 Cb 0.55 -4.78 -0.12 0.00 -1.54 0.00 0.00 39.78 33.89 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1xn6 s LYS 94 N -5.55 0.94 0.00 3.52 1.02 0.50 0.11 119.74 120.28 1xn6 s LYS 94 Ca 0.24 -1.05 -0.07 0.00 0.02 0.00 0.00 55.97 55.11 1xn6 s LYS 94 Cb -0.11 -1.02 0.00 0.00 -0.52 0.00 0.00 37.83 36.19 1xn6 s LYS 94 CO 0.30 0.23 0.14 0.99 -0.92 0.00 0.00 175.35 176.09 1xn6 s THR 95 N -1.31 0.08 -0.43 2.17 2.01 -0.90 -1.96 115.64 115.31 1xn6 s THR 95 Ca 0.02 -0.66 -0.16 0.00 0.31 0.00 0.00 61.69 61.19 1xn6 s THR 95 Cb -0.10 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 72.02 1xn6 s THR 95 CO 0.03 -0.36 0.40 -0.70 -0.69 0.00 0.00 174.62 173.29 1xn6 s GLU 96 N -1.32 3.04 -0.18 4.92 2.12 -0.56 -1.76 118.70 124.96 1xn6 s GLU 96 Ca -0.14 -0.91 -0.11 0.00 0.36 0.00 0.00 54.97 54.16 1xn6 s GLU 96 Cb -0.07 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.27 1xn6 s GLU 96 CO 0.01 -0.86 0.19 0.12 -0.54 0.00 0.00 175.26 174.19 1xn6 s PHE 97 N 1.96 3.44 -0.21 5.30 5.36 0.21 -2.25 117.98 131.79 1xn6 s PHE 97 Ca 0.09 0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 56.48 1xn6 s PHE 97 Cb -0.19 -2.22 0.06 0.00 -0.34 0.00 0.00 43.02 40.34 1xn6 s PHE 97 CO 0.12 0.29 0.02 0.99 -1.46 0.00 0.00 175.22 175.17 1xn6 s THR 98 N 0.35 0.74 -0.24 0.12 2.01 -1.03 0.41 115.64 118.01 1xn6 s THR 98 Ca 0.11 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.17 1xn6 s THR 98 Cb -0.12 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1xn6 s THR 98 CO 0.00 -0.22 0.61 -0.22 -0.69 0.00 0.00 174.62 174.11 1xn6 s LEU 99 N 1.75 4.08 -0.09 4.42 0.20 -1.02 -0.83 118.68 127.20 1xn6 s LEU 99 Ca -0.01 0.71 0.04 0.00 0.69 0.00 0.00 54.13 55.56 1xn6 s LEU 99 Cb -0.17 -2.84 -0.00 0.00 -0.43 0.00 0.00 46.19 42.75 1xn6 s LEU 99 CO -0.09 -0.34 -0.23 -0.63 -0.29 0.00 0.00 176.35 174.77 1xn6 s ILE 100 N 2.37 1.95 -0.21 6.68 1.01 0.56 -0.97 121.20 132.58 1xn6 s ILE 100 Ca 0.26 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1xn6 s ILE 100 Cb -0.16 -1.68 0.06 0.00 0.01 0.00 0.00 42.46 40.70 1xn6 s ILE 100 CO 0.09 0.54 0.01 -2.28 0.00 0.00 0.00 174.94 173.30 1xn6 s HIS 101 N 0.29 1.47 0.15 3.97 5.65 -1.13 -0.12 115.29 125.57 1xn6 s HIS 101 Ca -0.16 -1.18 0.00 0.00 0.25 0.00 0.00 55.06 53.97 1xn6 s HIS 101 Cb -0.17 -1.24 0.00 0.00 -1.18 0.00 0.00 32.58 30.00 1xn6 s HIS 101 CO 0.07 -0.68 0.03 0.41 -0.65 0.00 0.00 174.74 173.93 1xn6 n GLY 102 N 4.92 3.72 0.00 1.59 0.00 0.57 -3.01 105.19 112.99 1xn6 n GLY 102 Ca -0.09 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 3.26 1.38 3.95 -0.02 0.00 -1.26 -0.58 105.19 111.92 1xn6 n GLY 103 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.68 2.23 0.00 1.61 0.52 -1.26 -4.97 118.94 116.38 1xn6 s TRP 104 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 56.10 56.26 1xn6 s TRP 104 Cb 0.00 -3.27 0.00 0.00 -1.15 0.00 0.00 33.47 29.05 1xn6 s TRP 104 CO 0.00 -1.69 0.00 1.63 0.02 0.00 0.00 176.95 176.91 1xn6 n LYS 105 N -3.00 0.00 -3.53 4.98 4.01 -1.26 -4.92 118.16 114.44 1xn6 n LYS 105 Ca 0.12 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.54 1xn6 n LYS 105 Cb 0.60 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 35.06 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1xn6 s HIS 106 N 0.00 3.71 -1.34 2.13 2.46 -1.26 -0.49 115.29 120.50 1xn6 s HIS 106 Ca 0.00 0.95 0.22 0.00 0.47 0.00 0.00 55.06 56.71 1xn6 s HIS 106 Cb 0.00 -2.26 1.09 0.00 -0.13 0.00 0.00 32.58 31.29 1xn6 s HIS 106 CO 0.00 0.63 1.73 -0.35 -2.47 0.00 0.00 174.74 174.28 1xn6 n PRO 107 N 1.72 0.25 -0.09 2.88 -0.04 -1.26 -3.07 135.00 135.39 1xn6 n PRO 107 Ca -0.14 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.18 1xn6 n PRO 107 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 1xn6 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xn6 n ASP 108 N -1.33 1.98 -4.69 3.54 8.00 -1.26 -4.46 116.55 118.33 1xn6 n ASP 108 Ca 0.10 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.42 1xn6 n ASP 108 Cb 0.20 -0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 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 -2.48 4.24 0.08 -1.24 -1.05 -1.17 -4.96 118.70 112.12 1xn6 s GLU 109 Ca -0.31 2.15 -0.10 0.00 -0.15 0.00 0.00 54.97 56.56 1xn6 s GLU 109 Cb 0.09 -3.57 -0.06 0.00 -0.44 0.00 0.00 34.13 30.15 1xn6 s GLU 109 CO 0.61 -0.65 0.40 0.42 0.95 0.00 0.00 175.26 177.00 1xn6 s ILE 110 N 2.48 5.09 0.67 1.83 -1.09 -1.26 -4.68 121.20 124.23 1xn6 s ILE 110 Ca 0.69 0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 59.48 1xn6 s ILE 110 Cb -0.36 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 1xn6 s ILE 110 CO 0.29 0.30 1.05 -0.76 -1.23 0.00 0.00 174.94 174.60 1xn6 s LEU 111 N -1.87 3.15 -0.08 2.97 1.02 -1.26 -4.88 118.68 117.74 1xn6 s LEU 111 Ca 0.33 1.53 -0.22 0.00 0.02 0.00 0.00 54.13 55.78 1xn6 s LEU 111 Cb -0.14 -4.46 -0.18 0.00 0.02 0.00 0.00 46.19 41.44 1xn6 s LEU 111 CO 0.18 -1.25 0.82 1.55 0.02 0.00 0.00 176.35 177.67 1xn6 h PRO 112 N -0.58 -0.10 0.00 1.29 0.13 -1.96 -1.50 132.00 129.27 1xn6 h PRO 112 Ca -0.44 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xn6 h PRO 112 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xn6 h PRO 112 CO 0.59 0.44 -0.00 0.87 -0.23 0.00 0.00 178.00 179.67 1xn6 h LYS 113 N -0.86 -0.00 0.53 0.86 1.79 -1.90 -3.36 116.57 113.63 1xn6 h LYS 113 Ca -0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1xn6 h LYS 113 Cb 0.60 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 1xn6 h LYS 113 CO 0.02 0.90 -0.49 0.00 -1.08 0.00 0.00 179.45 178.79 1xn6 h ALA 114 N -0.04 -1.16 -2.87 3.86 0.00 -1.80 -3.49 119.26 113.75 1xn6 h ALA 114 Ca -0.00 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.85 1xn6 h ALA 114 Cb 0.90 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 1xn6 h ALA 114 CO 0.00 -1.18 -0.89 0.09 0.00 0.00 0.00 179.25 177.27 1xn6 n ASN 115 N -5.44 -6.46 -0.19 0.00 4.13 -0.57 -4.94 115.26 101.79 1xn6 n ASN 115 Ca -0.12 1.33 0.02 0.00 1.68 0.00 0.00 54.58 57.49 1xn6 n ASN 115 Cb 0.46 -3.88 -0.01 0.00 -1.54 0.00 0.00 39.78 34.80 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 -3.11 -0.49 -1.67 5.41 0.00 -1.26 -4.77 120.51 114.62 1xn6 n ALA 116 Ca -0.04 0.12 -0.51 0.00 0.00 0.00 0.00 53.44 53.01 1xn6 n ALA 116 Cb 0.46 -0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.32 1.71 -0.11 0.00 5.02 -1.26 -4.47 118.16 116.72 1xn6 n LYS 117 Ca -0.01 0.62 -0.09 0.00 -2.02 0.00 0.00 58.31 56.81 1xn6 n LYS 117 Cb 0.09 -2.37 -0.02 0.00 -0.02 0.00 0.00 35.03 32.71 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 7.16 0.47 -0.96 4.39 0.02 -1.84 -1.73 113.55 121.07 1xn6 h SER 118 Ca -0.47 -0.15 0.28 0.00 -0.84 0.00 0.00 61.79 60.61 1xn6 h SER 118 Cb 1.29 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 1xn6 h SER 118 CO 0.91 0.49 0.74 0.77 -1.14 0.00 0.00 176.83 178.60 1xn6 h SER 119 N 0.42 0.00 0.55 3.07 4.64 -1.89 1.20 113.55 121.55 1xn6 h SER 119 Ca 0.12 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.16 1xn6 h SER 119 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1xn6 h SER 119 CO -0.01 0.00 -1.25 0.40 -0.87 0.00 0.00 176.83 175.10 1xn6 h ILE 120 N 0.00 1.46 0.03 0.95 2.04 -1.70 -2.44 117.51 117.85 1xn6 h ILE 120 Ca 0.46 -2.96 -0.00 0.00 1.00 0.00 0.00 64.86 63.36 1xn6 h ILE 120 Cb 1.93 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.92 1xn6 h ILE 120 CO -0.00 0.87 -0.01 0.40 0.00 0.00 0.00 178.15 179.40 1xn6 h ILE 121 N 0.10 1.21 0.00 -0.67 1.08 0.17 -0.57 117.51 118.83 1xn6 h ILE 121 Ca -0.15 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 1xn6 h ILE 121 Cb 1.96 1.71 -0.00 0.00 -3.07 0.00 0.00 36.82 37.42 1xn6 h ILE 121 CO 0.21 0.19 -0.08 0.08 -0.69 0.00 0.00 178.15 177.86 1xn6 h ARG 122 N -0.37 0.00 -0.06 2.37 0.11 -0.53 0.23 114.38 116.13 1xn6 h ARG 122 Ca -0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 1xn6 h ARG 122 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1xn6 h ARG 122 CO 0.01 0.08 -0.29 0.22 0.10 0.00 0.00 179.97 180.09 1xn6 h ASP 123 N 0.00 0.36 -0.01 0.08 1.82 -1.07 0.14 116.42 117.74 1xn6 h ASP 123 Ca -0.00 -0.64 -0.00 0.00 -0.39 0.00 0.00 57.03 55.99 1xn6 h ASP 123 Cb 0.22 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 1xn6 h ASP 123 CO 0.01 0.95 -0.01 0.03 -1.61 0.00 0.00 179.24 178.61 1xn6 h ARG 124 N -0.20 0.03 0.11 0.28 3.08 -0.44 -0.53 114.38 116.70 1xn6 h ARG 124 Ca -0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1xn6 h ARG 124 Cb 0.93 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1xn6 h ARG 124 CO 0.06 0.42 -0.05 0.52 -1.07 0.00 0.00 179.97 179.85 1xn6 h MET 125 N -0.37 -0.14 -0.37 0.04 2.86 -0.66 -1.21 114.93 115.09 1xn6 h MET 125 Ca 0.00 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1xn6 h MET 125 Cb 0.41 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1xn6 h MET 125 CO 0.00 -0.02 0.07 1.03 1.06 0.00 0.00 176.91 179.06 1xn6 h SER 126 N -0.23 0.01 0.10 1.22 0.87 -0.76 0.59 113.55 115.35 1xn6 h SER 126 Ca -0.01 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1xn6 h SER 126 Cb 0.18 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 1xn6 h SER 126 CO 0.02 0.04 -0.33 1.23 -0.53 0.00 0.00 176.83 177.27 1xn6 h GLY 127 N 0.20 -0.61 2.00 5.77 0.00 -0.91 0.82 103.07 110.33 1xn6 h GLY 127 Ca 0.18 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1xn6 h GLY 127 CO -0.23 -0.25 -0.03 -1.33 0.00 0.00 0.00 176.54 174.70 1xn6 h GLY 128 N -0.54 0.00 1.40 4.60 0.00 -0.82 -1.88 103.07 105.82 1xn6 h GLY 128 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.07 1xn6 h GLY 128 CO -0.21 0.00 -1.27 1.49 0.00 0.00 0.00 176.54 176.55 1xn6 h TRP 129 N 0.00 0.81 -0.42 5.60 -0.00 0.19 0.51 115.95 122.65 1xn6 h TRP 129 Ca -0.00 -0.55 0.02 0.00 -0.00 0.00 0.00 58.89 58.36 1xn6 h TRP 129 Cb 0.35 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 1xn6 h TRP 129 CO 0.00 1.41 0.25 0.28 -0.00 0.00 0.00 178.44 180.37 1xn6 h VAL 130 N 0.18 1.05 0.06 1.49 2.07 0.14 1.43 116.25 122.66 1xn6 h VAL 130 Ca -0.18 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1xn6 h VAL 130 Cb 1.96 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1xn6 h VAL 130 CO 0.23 0.09 -0.03 0.00 0.02 0.00 0.00 177.57 177.89 1xn6 h ALA 131 N 1.18 -0.07 -0.96 1.67 0.00 -1.52 -1.43 119.26 118.13 1xn6 h ALA 131 Ca 0.16 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1xn6 h ALA 131 Cb -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1xn6 h ALA 131 CO -0.07 -0.24 0.61 0.82 0.00 0.00 0.00 179.25 180.37 1xn6 h ILE 132 N -0.68 0.93 -0.17 0.00 2.04 -0.72 1.05 117.51 119.97 1xn6 h ILE 132 Ca -0.01 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 1xn6 h ILE 132 Cb 0.58 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1xn6 h ILE 132 CO 0.01 0.17 -0.31 0.58 0.00 0.00 0.00 178.15 178.61 1xn6 h VAL 133 N 0.93 1.27 -0.81 1.67 2.07 0.20 -1.85 116.25 119.73 1xn6 h VAL 133 Ca 0.46 -1.31 -0.57 0.00 0.82 0.00 0.00 66.70 66.11 1xn6 h VAL 133 Cb 0.49 1.48 -0.36 0.00 -1.52 0.00 0.00 31.29 31.38 1xn6 h VAL 133 CO -0.23 0.40 -0.19 0.59 0.02 0.00 0.00 177.57 178.17 1xn6 n ASN 134 N -4.10 5.68 0.01 0.57 3.02 0.10 -3.57 115.26 116.97 1xn6 n ASN 134 Ca -0.01 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.77 1xn6 n ASN 134 Cb 0.42 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.01 3.52 -0.58 0.32 -4.87 120.64 118.21 1xn6 n GLU 135 Ca 0.50 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1xn6 n GLU 135 Cb 0.87 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.74 1xn6 n GLU 135 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1xn6 h LYS 136 N 0.00 0.00 -0.94 3.49 1.57 -1.54 -3.04 116.57 116.11 1xn6 h LYS 136 Ca 0.00 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.01 1xn6 h LYS 136 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.13 1xn6 h LYS 136 CO 0.00 0.00 -0.08 -0.11 -0.57 0.00 0.00 179.45 178.69 1xn6 n LEU 137 N -2.40 -0.20 -0.04 2.94 0.00 -1.16 0.19 117.00 116.34 1xn6 n LEU 137 Ca -0.00 1.60 -0.08 0.00 0.00 0.00 0.00 56.01 57.53 1xn6 n LEU 137 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 43.42 42.86 1xn6 n LEU 137 CO 0.00 -1.59 0.74 0.50 0.00 0.00 0.00 177.39 177.04 1xn6 h LYS 138 N 0.00 -0.18 0.00 1.96 3.64 -1.71 1.57 116.57 121.86 1xn6 h LYS 138 Ca 0.52 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.84 1xn6 h LYS 138 Cb 0.98 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1xn6 h LYS 138 CO -0.91 -0.12 -0.37 0.87 -2.27 0.00 0.00 179.45 176.65 1xn6 h LYS 139 N -0.19 0.00 0.28 1.90 1.57 0.20 1.24 116.57 121.57 1xn6 h LYS 139 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1xn6 h LYS 139 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1xn6 h LYS 139 CO -0.32 0.37 -0.13 0.28 -0.57 0.00 0.00 179.45 179.07 1xn6 h VAL 140 N 0.00 0.68 0.29 0.50 2.07 0.48 0.41 116.25 120.69 1xn6 h VAL 140 Ca -0.00 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1xn6 h VAL 140 Cb 0.71 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1xn6 h VAL 140 CO 0.05 0.14 -0.14 0.58 0.02 0.00 0.00 177.57 178.22 1xn6 h VAL 141 N -0.83 0.46 -0.79 2.57 2.07 0.22 -3.19 116.25 116.76 1xn6 h VAL 141 Ca -0.04 -0.83 0.13 0.00 0.82 0.00 0.00 66.70 66.78 1xn6 h VAL 141 Cb 0.51 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1xn6 h VAL 141 CO 0.06 0.11 0.52 -0.08 0.02 0.00 0.00 177.57 178.21 1xn6 h GLU 142 N -0.98 0.54 0.00 1.57 4.81 0.14 -3.49 114.58 117.18 1xn6 h GLU 142 Ca -0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xn6 h GLU 142 Cb 0.48 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1xn6 h GLU 142 CO 0.07 0.36 0.00 0.41 -0.73 0.00 0.00 179.01 179.11