#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn6 n GLU 2 N 0.00 -0.94 -3.68 3.17 1.02 -1.26 -5.15 120.64 113.80 1xn6 n GLU 2 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1xn6 n GLU 2 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 1xn6 n GLU 2 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1xn6 s GLN 3 N -0.66 0.22 -0.01 3.49 1.11 -1.26 -5.13 119.66 117.42 1xn6 s GLN 3 Ca 0.00 0.73 -0.30 0.00 0.01 0.00 0.00 55.36 55.80 1xn6 s GLN 3 Cb 0.00 -0.01 -0.06 0.00 -1.01 0.00 0.00 33.01 31.94 1xn6 s GLN 3 CO 0.00 -0.23 1.46 -0.65 0.01 0.00 0.00 175.29 175.88 1xn6 s GLN 4 N 1.99 4.25 -0.20 2.91 1.11 -1.26 -4.99 119.66 123.48 1xn6 s GLN 4 Ca -0.03 2.02 -0.16 0.00 0.01 0.00 0.00 55.36 57.20 1xn6 s GLN 4 Cb -0.11 -3.64 0.06 0.00 -1.01 0.00 0.00 33.01 28.30 1xn6 s GLN 4 CO -0.10 -0.64 0.52 0.54 0.01 0.00 0.00 175.29 175.62 1xn6 s ASN 5 N 2.14 -0.58 0.40 5.90 2.20 -1.26 -5.13 114.94 118.61 1xn6 s ASN 5 Ca 0.66 1.07 0.00 0.00 -0.94 0.00 0.00 52.86 53.65 1xn6 s ASN 5 Cb -0.32 1.04 0.00 0.00 -2.00 0.00 0.00 41.25 39.97 1xn6 s ASN 5 CO 0.27 -0.19 0.00 0.41 -2.94 0.00 0.00 177.10 174.65 1xn6 n THR 6 N 3.29 0.00 -2.68 0.54 -1.04 -1.26 -4.92 114.28 108.20 1xn6 n THR 6 Ca -0.16 0.26 -0.21 0.00 -2.04 0.00 0.00 64.05 61.90 1xn6 n THR 6 Cb 0.56 -0.73 0.10 0.00 -1.82 0.00 0.00 70.33 68.45 1xn6 n THR 6 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xn6 n LEU 7 N -4.19 0.00 0.00 -4.42 4.77 0.71 -4.67 117.00 109.21 1xn6 n LEU 7 Ca -0.02 -2.05 -0.28 0.00 -0.03 0.00 0.00 56.01 53.63 1xn6 n LEU 7 Cb 0.64 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1xn6 n LEU 7 CO 0.02 -0.90 -0.17 0.59 -1.33 0.00 0.00 177.39 175.59 1xn6 n ASN 8 N -2.80 3.15 -4.12 -1.43 3.02 -1.26 -5.02 115.26 106.80 1xn6 n ASN 8 Ca 0.15 -2.94 -0.34 0.00 -0.03 0.00 0.00 54.58 51.43 1xn6 n ASN 8 Cb 0.55 0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.85 1xn6 n ASN 8 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1xn6 s ASP 9 N -3.55 4.88 -0.93 6.41 1.01 -1.26 -4.88 116.67 118.35 1xn6 s ASP 9 Ca 0.04 -1.62 -0.28 0.00 0.71 0.00 0.00 52.55 51.40 1xn6 s ASP 9 Cb -0.00 -1.70 -0.21 0.00 1.01 0.00 0.00 42.92 42.02 1xn6 s ASP 9 CO 0.03 -0.33 2.61 -0.38 0.21 0.00 0.00 175.17 177.30 1xn6 n ILE 10 N 4.52 -0.01 -3.93 0.77 5.41 -1.04 -4.69 119.36 120.39 1xn6 n ILE 10 Ca -0.08 -0.16 -0.36 0.00 1.00 0.00 0.00 62.75 63.15 1xn6 n ILE 10 Cb 0.42 -0.76 -0.07 0.00 -0.71 0.00 0.00 39.64 38.53 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 8.71 3.56 -0.46 0.38 2.20 -1.24 -2.32 119.74 130.58 1xn6 s LYS 11 Ca 1.30 -0.20 0.03 0.00 -0.36 0.00 0.00 55.97 56.74 1xn6 s LYS 11 Cb -1.07 -3.18 0.15 0.00 -1.51 0.00 0.00 37.83 32.22 1xn6 s LYS 11 CO 0.46 0.64 0.31 -0.65 -0.36 0.00 0.00 175.35 175.75 1xn6 s GLN 12 N -0.64 1.27 -0.25 4.03 -0.21 -0.51 -4.91 119.66 118.44 1xn6 s GLN 12 Ca 0.12 -2.17 -0.22 0.00 0.02 0.00 0.00 55.36 53.11 1xn6 s GLN 12 Cb -0.12 -2.10 -0.01 0.00 1.00 0.00 0.00 33.01 31.78 1xn6 s GLN 12 CO 0.02 -1.26 0.73 0.99 -2.12 0.00 0.00 175.29 173.66 1xn6 s THR 13 N 0.06 4.90 0.01 -0.19 2.01 -1.25 -2.12 115.64 119.06 1xn6 s THR 13 Ca 0.23 1.33 -0.16 0.00 0.31 0.00 0.00 61.69 63.40 1xn6 s THR 13 Cb -0.12 -4.03 0.03 0.00 0.01 0.00 0.00 72.50 68.38 1xn6 s THR 13 CO -0.08 -0.04 0.34 -0.51 -0.69 0.00 0.00 174.62 173.63 1xn6 s ILE 14 N 2.69 0.06 -0.18 1.82 2.07 0.39 -5.00 121.20 123.05 1xn6 s ILE 14 Ca 0.30 -0.51 -0.04 0.00 -1.41 0.00 0.00 60.65 58.99 1xn6 s ILE 14 Cb -0.15 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.65 1xn6 s ILE 14 CO 0.08 -0.28 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.11 1xn6 s VAL 15 N -1.82 3.76 0.21 4.00 1.01 -1.26 0.30 120.40 126.61 1xn6 s VAL 15 Ca -0.10 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1xn6 s VAL 15 Cb -0.03 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1xn6 s VAL 15 CO 0.02 0.46 -0.08 -0.36 0.00 0.00 0.00 175.10 175.14 1xn6 s PHE 16 N 0.78 2.62 -1.32 5.22 0.08 -1.08 -5.00 117.98 119.28 1xn6 s PHE 16 Ca -0.01 -0.23 -0.15 0.00 0.12 0.00 0.00 56.93 56.65 1xn6 s PHE 16 Cb -0.14 -1.23 0.09 0.00 -0.57 0.00 0.00 43.02 41.16 1xn6 s PHE 16 CO 0.02 0.56 1.82 -1.71 -0.10 0.00 0.00 175.22 175.81 1xn6 n ASN 17 N -0.29 4.74 -3.36 1.36 2.85 -1.26 -2.79 115.26 116.50 1xn6 n ASN 17 Ca -0.09 -2.93 -0.05 0.00 -0.11 0.00 0.00 54.58 51.40 1xn6 n ASN 17 Cb 0.57 -1.67 0.01 0.00 1.24 0.00 0.00 39.78 39.93 1xn6 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xn6 s ALA 18 N 3.09 -1.37 0.22 5.20 0.00 0.42 -4.82 121.76 124.49 1xn6 s ALA 18 Ca 0.49 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.15 1xn6 s ALA 18 Cb 0.06 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1xn6 s ALA 18 CO 0.02 -1.04 0.33 -1.12 0.00 0.00 0.00 175.76 173.95 1xn6 s SER 19 N -3.19 6.28 0.43 0.00 0.01 -1.24 -1.27 113.70 114.71 1xn6 s SER 19 Ca 0.18 0.08 0.12 0.00 1.31 0.00 0.00 55.95 57.63 1xn6 s SER 19 Cb -0.03 -1.85 0.99 0.00 0.21 0.00 0.00 66.02 65.35 1xn6 s SER 19 CO 0.06 -0.04 2.00 -0.29 0.41 0.00 0.00 173.24 175.39 1xn6 h ILE 20 N 1.30 0.95 -0.34 1.44 2.10 -1.87 0.26 117.51 121.35 1xn6 h ILE 20 Ca -0.51 -0.15 -0.13 0.00 1.08 0.00 0.00 64.86 65.15 1xn6 h ILE 20 Cb 1.22 0.48 -0.01 0.00 -1.09 0.00 0.00 36.82 37.42 1xn6 h ILE 20 CO 0.63 0.08 -0.32 1.56 -1.08 0.00 0.00 178.15 179.02 1xn6 h GLN 21 N 0.43 0.76 0.25 2.19 1.08 -1.94 0.36 115.11 118.23 1xn6 h GLN 21 Ca 0.24 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1xn6 h GLN 21 Cb 0.38 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1xn6 h GLN 21 CO -0.06 0.97 -0.12 -0.22 -0.95 0.00 0.00 178.83 178.45 1xn6 h LYS 22 N 0.64 -0.32 -0.80 1.46 3.64 -1.34 -1.82 116.57 118.03 1xn6 h LYS 22 Ca 0.07 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.60 1xn6 h LYS 22 Cb 0.85 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 1xn6 h LYS 22 CO 0.07 0.04 0.52 0.28 -2.27 0.00 0.00 179.45 178.10 1xn6 h VAL 23 N -0.86 0.85 -0.40 2.00 2.07 -0.61 0.20 116.25 119.49 1xn6 h VAL 23 Ca -0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1xn6 h VAL 23 Cb 0.51 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1xn6 h VAL 23 CO 0.06 0.10 0.18 -0.25 0.02 0.00 0.00 177.57 177.68 1xn6 h TRP 24 N 0.57 0.60 -0.28 1.57 2.91 -0.85 -1.32 115.95 119.16 1xn6 h TRP 24 Ca 0.39 -0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.42 1xn6 h TRP 24 Cb 0.70 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 1xn6 h TRP 24 CO -0.00 0.51 0.19 1.03 -1.03 0.00 0.00 178.44 179.14 1xn6 h SER 25 N 0.51 0.16 1.29 2.65 0.87 0.24 0.57 113.55 119.85 1xn6 h SER 25 Ca 0.14 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1xn6 h SER 25 Cb 0.15 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1xn6 h SER 25 CO -0.01 0.11 0.00 0.58 -0.53 0.00 0.00 176.83 176.98 1xn6 h VAL 26 N 0.19 0.00 -1.15 2.23 2.07 -0.18 -3.20 116.25 116.21 1xn6 h VAL 26 Ca 0.12 -0.46 -0.47 0.00 0.82 0.00 0.00 66.70 66.71 1xn6 h VAL 26 Cb 0.25 1.38 -0.41 0.00 -1.52 0.00 0.00 31.29 30.99 1xn6 h VAL 26 CO -0.02 0.00 -0.94 1.33 0.02 0.00 0.00 177.57 177.96 1xn6 n VAL 27 N -2.38 1.80 -1.92 2.57 0.24 0.18 -3.91 118.33 114.92 1xn6 n VAL 27 Ca 0.04 -4.00 -0.04 0.00 -2.04 0.00 0.00 64.34 58.30 1xn6 n VAL 27 Cb 0.38 -0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 32.39 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 -0.37 -0.67 -3.65 -1.34 3.41 -0.20 -4.90 113.62 105.90 1xn6 n SER 28 Ca 0.26 -1.34 -0.10 0.00 -0.26 0.00 0.00 58.87 57.43 1xn6 n SER 28 Cb 0.76 0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.89 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 0.07 -0.10 6.66 -4.23 -1.25 -4.93 115.64 111.87 1xn6 s THR 29 Ca 0.01 -0.62 -0.26 0.00 -1.18 0.00 0.00 61.69 59.63 1xn6 s THR 29 Cb 0.04 -1.19 -0.27 0.00 1.34 0.00 0.00 72.50 72.42 1xn6 s THR 29 CO -0.01 -0.33 0.86 0.00 -0.54 0.00 0.00 174.62 174.60 1xn6 h ALA 30 N 2.38 -0.02 0.36 3.99 0.00 -1.90 -2.46 119.26 121.62 1xn6 h ALA 30 Ca -0.34 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.02 1xn6 h ALA 30 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xn6 h ALA 30 CO 0.47 0.10 -0.17 0.93 0.00 0.00 0.00 179.25 180.58 1xn6 h GLU 31 N -0.74 -0.47 -0.33 0.00 3.07 -1.91 0.65 114.58 114.86 1xn6 h GLU 31 Ca -0.04 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1xn6 h GLU 31 Cb 1.15 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 29.11 1xn6 h GLU 31 CO 0.05 -0.25 -0.06 0.78 -1.40 0.00 0.00 179.01 178.13 1xn6 h GLY 32 N -0.58 0.26 0.97 -3.84 0.00 -1.86 0.41 103.07 98.44 1xn6 h GLY 32 Ca -0.05 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1xn6 h GLY 32 CO 0.08 -0.11 0.18 -2.22 0.00 0.00 0.00 176.54 174.47 1xn6 h ILE 33 N 0.03 1.22 -0.01 2.60 2.04 -1.34 -0.91 117.51 121.15 1xn6 h ILE 33 Ca 0.16 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1xn6 h ILE 33 Cb 0.23 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1xn6 h ILE 33 CO -0.32 0.26 0.08 0.00 0.00 0.00 0.00 178.15 178.18 1xn6 h ALA 34 N 1.03 1.13 0.00 1.87 0.00 0.13 0.77 119.26 124.18 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xn6 h ALA 34 CO -0.01 -0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.59 1xn6 n SER 35 N -3.11 0.00 -2.67 0.00 7.64 0.04 -4.04 113.62 111.49 1xn6 n SER 35 Ca -0.03 -0.95 -0.04 0.00 1.01 0.00 0.00 58.87 58.87 1xn6 n SER 35 Cb 0.14 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.00 -0.60 0.01 1.43 4.27 0.24 -4.64 117.44 117.15 1xn6 n TRP 36 Ca 0.22 -0.80 0.00 0.00 -3.89 0.00 0.00 57.50 53.04 1xn6 n TRP 36 Cb 0.10 1.18 0.00 0.00 -1.36 0.00 0.00 31.31 31.23 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 0.82 -1.40 0.00 -2.67 7.35 0.13 -4.89 117.46 116.80 1xn6 n PHE 37 Ca -0.03 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1xn6 n PHE 37 Cb 0.74 0.35 0.00 0.00 0.35 0.00 0.00 39.48 40.92 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 -2.31 0.00 -2.41 -4.13 2.81 -1.25 -5.00 117.12 104.83 1xn6 n MET 38 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 1xn6 n MET 38 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1xn6 n MET 38 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1xn6 s PRO 39 N -2.00 4.22 0.25 0.03 0.04 -1.26 -3.76 135.00 132.52 1xn6 s PRO 39 Ca 0.00 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 1xn6 s PRO 39 Cb 0.00 -3.78 0.04 0.00 0.04 0.00 0.00 34.50 30.80 1xn6 s PRO 39 CO 0.00 -0.73 0.49 0.27 0.04 0.00 0.00 177.00 177.07 1xn6 n ASN 40 N 6.67 -1.42 -0.00 6.66 6.94 -1.26 -1.16 115.26 131.69 1xn6 n ASN 40 Ca 0.14 -2.03 0.05 0.00 -0.02 0.00 0.00 54.58 52.72 1xn6 n ASN 40 Cb 0.45 2.38 -0.08 0.00 -2.36 0.00 0.00 39.78 40.17 1xn6 n ASN 40 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1xn6 n ASP 41 N -1.37 2.59 -1.01 0.53 2.03 -1.24 -4.76 116.55 113.31 1xn6 n ASP 41 Ca -0.05 -0.04 0.12 0.00 0.52 0.00 0.00 54.79 55.33 1xn6 n ASP 41 Cb 0.38 1.43 -0.04 0.00 -0.72 0.00 0.00 41.12 42.17 1xn6 n ASP 41 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1xn6 n PHE 42 N -1.81 -2.27 -3.62 -0.67 7.35 -1.26 -4.45 117.46 110.73 1xn6 n PHE 42 Ca -0.02 1.17 -0.02 0.00 -0.76 0.00 0.00 57.45 57.82 1xn6 n PHE 42 Cb 0.26 -2.06 -0.06 0.00 0.35 0.00 0.00 39.48 37.96 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 -2.68 -0.09 -1.17 -2.13 0.11 -1.26 -4.93 120.40 108.26 1xn6 s VAL 43 Ca 0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 1xn6 s VAL 43 Cb 0.00 -1.00 0.24 0.00 -1.53 0.00 0.00 36.38 34.09 1xn6 s VAL 43 CO 0.00 0.00 1.48 -0.11 -3.33 0.00 0.00 175.10 173.14 1xn6 n LEU 44 N 3.98 6.01 -3.76 2.54 7.94 -1.26 -4.90 117.00 127.54 1xn6 n LEU 44 Ca -0.17 -4.88 -0.13 0.00 -1.11 0.00 0.00 56.01 49.72 1xn6 n LEU 44 Cb 0.57 -1.45 -0.09 0.00 0.53 0.00 0.00 43.42 42.99 1xn6 n LEU 44 CO 0.01 1.33 0.02 -1.61 -1.11 0.00 0.00 177.39 176.02 1xn6 s GLU 45 N -0.74 0.68 0.12 1.96 2.02 -1.26 -5.11 118.70 116.37 1xn6 s GLU 45 Ca 0.36 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.82 1xn6 s GLU 45 Cb 0.01 0.30 -0.06 0.00 0.10 0.00 0.00 34.13 34.47 1xn6 s GLU 45 CO 0.01 -0.19 1.06 0.08 0.02 0.00 0.00 175.26 176.25 1xn6 s VAL 46 N -1.44 4.18 -1.80 2.63 1.01 -1.26 -3.00 120.40 120.72 1xn6 s VAL 46 Ca -0.13 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1xn6 s VAL 46 Cb -0.05 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1xn6 s VAL 46 CO 0.04 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1xn6 n GLY 47 N 2.37 0.77 3.43 4.51 0.00 -1.04 -4.92 105.19 110.30 1xn6 n GLY 47 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.73 3.24 0.10 1.61 5.04 -1.16 -4.88 115.29 116.51 1xn6 s HIS 48 Ca 0.00 -0.74 -0.18 0.00 -1.54 0.00 0.00 55.06 52.61 1xn6 s HIS 48 Cb 0.00 -2.87 -0.07 0.00 0.04 0.00 0.00 32.58 29.68 1xn6 s HIS 48 CO 0.00 -0.69 0.56 -1.83 -2.34 0.00 0.00 174.74 170.44 1xn6 s GLU 49 N 1.68 4.12 0.22 2.88 -1.05 -1.26 -3.34 118.70 121.95 1xn6 s GLU 49 Ca 0.05 0.65 0.01 0.00 -0.15 0.00 0.00 54.97 55.53 1xn6 s GLU 49 Cb -0.21 -3.13 -0.00 0.00 -0.44 0.00 0.00 34.13 30.34 1xn6 s GLU 49 CO 0.09 0.59 0.04 1.97 0.95 0.00 0.00 175.26 178.89 1xn6 n PHE 50 N 1.42 0.29 -4.78 4.83 -1.74 0.24 -4.98 117.46 112.73 1xn6 n PHE 50 Ca -0.09 -1.22 -0.33 0.00 -0.56 0.00 0.00 57.45 55.25 1xn6 n PHE 50 Cb 0.51 -0.07 -0.12 0.00 1.52 0.00 0.00 39.48 41.31 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 -2.09 2.80 0.08 2.97 3.76 -1.26 -2.96 115.29 118.59 1xn6 s HIS 51 Ca 0.05 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 54.89 1xn6 s HIS 51 Cb 0.00 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.99 1xn6 s HIS 51 CO 0.04 0.22 -0.11 0.08 -0.85 0.00 0.00 174.74 174.12 1xn6 s VAL 52 N -0.70 0.89 -0.14 -0.90 1.01 -1.26 -3.72 120.40 115.59 1xn6 s VAL 52 Ca 0.11 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 60.64 1xn6 s VAL 52 Cb -0.11 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1xn6 s VAL 52 CO 0.01 -0.43 -0.07 -1.10 0.00 0.00 0.00 175.10 173.51 1xn6 s GLN 53 N -2.25 3.50 0.11 2.72 -0.21 -0.31 -3.58 119.66 119.64 1xn6 s GLN 53 Ca 0.00 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 54.86 1xn6 s GLN 53 Cb -0.06 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1xn6 s GLN 53 CO 0.01 0.28 -0.12 -1.54 -2.12 0.00 0.00 175.29 171.79 1xn6 s SER 54 N 0.24 1.76 -0.39 5.90 1.04 -1.24 -4.04 113.70 116.97 1xn6 s SER 54 Ca -0.05 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.54 1xn6 s SER 54 Cb -0.14 -0.04 -0.16 0.00 0.10 0.00 0.00 66.02 65.78 1xn6 s SER 54 CO 0.04 -0.18 2.73 -0.81 0.98 0.00 0.00 173.24 175.99 1xn6 n PRO 55 N 0.61 1.91 0.08 4.02 -0.04 -1.26 -3.58 135.00 136.73 1xn6 n PRO 55 Ca -0.16 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1xn6 n PRO 55 Cb 0.57 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 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 3.04 -2.73 -3.90 0.54 -0.00 -1.26 -5.17 117.46 107.98 1xn6 n PHE 56 Ca 0.41 0.52 -0.09 0.00 -0.00 0.00 0.00 57.45 58.29 1xn6 n PHE 56 Cb 0.52 1.54 -0.01 0.00 -0.00 0.00 0.00 39.48 41.53 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1xn6 s GLY 57 N -1.51 0.47 -0.29 7.13 0.00 -1.23 -5.12 107.32 106.77 1xn6 s GLY 57 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 1xn6 s GLY 57 CO 0.00 -0.43 1.34 2.56 0.00 0.00 0.00 173.10 176.57 1xn6 s PRO 58 N -3.15 3.90 -0.36 2.90 0.04 -1.26 -3.69 135.00 133.37 1xn6 s PRO 58 Ca 0.18 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1xn6 s PRO 58 Cb -0.04 -3.90 0.11 0.00 0.04 0.00 0.00 34.50 30.71 1xn6 s PRO 58 CO 0.11 -1.14 0.13 -1.12 0.04 0.00 0.00 177.00 175.03 1xn6 s SER 59 N 2.98 4.07 1.09 6.66 0.01 -1.23 -4.85 113.70 122.42 1xn6 s SER 59 Ca 0.58 -2.07 -0.18 0.00 1.31 0.00 0.00 55.95 55.60 1xn6 s SER 59 Cb -0.18 -1.08 0.25 0.00 0.21 0.00 0.00 66.02 65.21 1xn6 s SER 59 CO 0.24 -0.36 1.22 -2.16 0.41 0.00 0.00 173.24 172.59 1xn6 s PRO 60 N 1.05 -0.32 0.03 12.44 0.04 -1.26 -4.00 135.00 142.98 1xn6 s PRO 60 Ca 0.13 -0.26 -0.05 0.00 0.04 0.00 0.00 61.00 60.85 1xn6 s PRO 60 Cb -0.20 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1xn6 s PRO 60 CO -0.14 -3.08 0.09 0.00 0.04 0.00 0.00 177.00 173.91 1xn6 s LYS 62 N -2.34 0.29 0.53 0.00 2.20 -1.11 -0.60 119.74 118.70 1xn6 s LYS 62 Ca -0.07 0.19 -0.21 0.00 -0.36 0.00 0.00 55.97 55.52 1xn6 s LYS 62 Cb -0.03 -0.68 -0.06 0.00 -1.51 0.00 0.00 37.83 35.56 1xn6 s LYS 62 CO -0.03 -0.27 1.23 0.08 -0.36 0.00 0.00 175.35 176.00 1xn6 s VAL 63 N 1.79 2.66 -0.10 4.02 1.01 -1.21 -0.44 120.40 128.12 1xn6 s VAL 63 Ca 0.01 0.47 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 1xn6 s VAL 63 Cb -0.12 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1xn6 s VAL 63 CO -0.03 -0.03 -0.20 0.18 0.00 0.00 0.00 175.10 175.02 1xn6 n LEU 64 N -0.98 1.33 -4.09 3.92 4.77 0.12 -2.51 117.00 119.56 1xn6 n LEU 64 Ca 0.10 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 56.11 1xn6 n LEU 64 Cb 0.48 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 1xn6 n LEU 64 CO 0.48 -0.09 -0.45 -0.70 -1.33 0.00 0.00 177.39 175.30 1xn6 s GLU 65 N -2.39 0.83 -0.09 3.23 2.56 -1.08 -4.56 118.70 117.19 1xn6 s GLU 65 Ca -0.19 -0.61 0.02 0.00 0.00 0.00 0.00 54.97 54.20 1xn6 s GLU 65 Cb 0.05 -0.80 0.01 0.00 2.00 0.00 0.00 34.13 35.39 1xn6 s GLU 65 CO 0.25 0.20 -0.16 0.42 -0.56 0.00 0.00 175.26 175.42 1xn6 s ILE 66 N -0.68 1.50 -0.50 -3.70 1.01 -1.26 -1.11 121.20 116.45 1xn6 s ILE 66 Ca 0.01 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.05 1xn6 s ILE 66 Cb -0.07 -1.35 0.21 0.00 0.01 0.00 0.00 42.46 41.26 1xn6 s ILE 66 CO 0.01 0.44 0.80 0.47 0.00 0.00 0.00 174.94 176.66 1xn6 n ASP 67 N 3.94 -3.19 -0.26 3.58 8.00 -0.09 -4.99 116.55 123.54 1xn6 n ASP 67 Ca -0.20 -2.99 -0.00 0.00 0.71 0.00 0.00 54.79 52.30 1xn6 n ASP 67 Cb 0.52 1.75 0.07 0.00 -0.02 0.00 0.00 41.12 43.43 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 4.60 -0.04 -2.64 -1.24 4.81 -1.97 1.44 114.58 119.54 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 1.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1xn6 h GLU 68 CO 0.12 -0.02 1.13 -0.35 -0.73 0.00 0.00 179.01 179.15 1xn6 n PRO 69 N -5.48 2.00 0.00 0.92 -0.04 -1.26 -3.92 135.00 127.21 1xn6 n PRO 69 Ca 0.09 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1xn6 n PRO 69 Cb 0.38 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 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 -0.41 -5.14 115.26 120.44 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 -3.67 1.20 1.44 0.48 -2.27 115.22 112.40 1xn6 n HIS 71 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1xn6 n HIS 71 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 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 0.56 0.10 2.39 2.34 -1.25 -0.92 118.68 121.89 1xn6 s LEU 72 Ca 0.00 -0.29 0.04 0.00 0.06 0.00 0.00 54.13 53.95 1xn6 s LEU 72 Cb 0.00 1.69 -0.03 0.00 -0.56 0.00 0.00 46.19 47.29 1xn6 s LEU 72 CO 0.00 -0.79 -0.12 -0.94 -1.06 0.00 0.00 176.35 173.45 1xn6 s SER 73 N -2.61 1.60 0.11 1.48 1.04 -0.27 -3.29 113.70 111.75 1xn6 s SER 73 Ca 0.01 -0.77 -0.18 0.00 0.48 0.00 0.00 55.95 55.49 1xn6 s SER 73 Cb 0.02 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.16 1xn6 s SER 73 CO -0.09 -0.20 0.45 0.72 0.98 0.00 0.00 173.24 175.09 1xn6 s PHE 74 N -2.12 -0.29 0.39 5.02 -0.71 -1.08 -0.70 117.98 118.49 1xn6 s PHE 74 Ca 0.04 0.08 0.08 0.00 -1.04 0.00 0.00 56.93 56.09 1xn6 s PHE 74 Cb -0.05 0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1xn6 s PHE 74 CO 0.01 -0.69 0.33 -1.54 -1.34 0.00 0.00 175.22 171.99 1xn6 s SER 75 N -2.56 5.07 -0.18 1.98 1.04 0.41 -2.09 113.70 117.37 1xn6 s SER 75 Ca 0.00 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.76 1xn6 s SER 75 Cb 0.01 -0.69 0.02 0.00 0.10 0.00 0.00 66.02 65.46 1xn6 s SER 75 CO -0.09 -0.54 -0.18 0.86 0.98 0.00 0.00 173.24 174.26 1xn6 s TRP 76 N -2.43 2.71 0.99 5.02 -0.11 0.76 -2.76 118.94 123.13 1xn6 s TRP 76 Ca 0.45 -1.62 -0.15 0.00 1.22 0.00 0.00 56.10 56.00 1xn6 s TRP 76 Cb -0.04 -1.87 0.19 0.00 -1.50 0.00 0.00 33.47 30.26 1xn6 s TRP 76 CO 0.27 -0.79 1.19 -0.51 -4.62 0.00 0.00 176.95 172.48 1xn6 s ASP 77 N 1.31 2.82 -1.27 5.86 1.01 -0.23 -1.17 116.67 125.00 1xn6 s ASP 77 Ca 0.04 0.68 -0.16 0.00 0.71 0.00 0.00 52.55 53.81 1xn6 s ASP 77 Cb -0.13 -1.01 0.16 0.00 1.01 0.00 0.00 42.92 42.94 1xn6 s ASP 77 CO -0.12 -2.95 0.40 0.41 0.21 0.00 0.00 175.17 173.12 1xn6 n THR 78 N -3.98 0.00 0.00 -1.27 -1.04 -1.26 -4.31 114.28 102.41 1xn6 n THR 78 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1xn6 n THR 78 Cb 0.59 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1xn6 n THR 78 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1xn6 n ASP 79 N -2.11 0.00 0.00 8.00 8.00 -1.24 -4.92 116.55 124.28 1xn6 n ASP 79 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1xn6 n ASP 79 Cb 0.46 0.17 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 -1.17 1.17 3.39 0.44 0.00 -0.32 -4.34 105.19 104.36 1xn6 n GLY 80 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.45 -0.11 1.61 0.51 -1.24 -4.71 118.94 115.45 1xn6 s TRP 81 Ca 0.00 -0.34 0.02 0.00 -2.12 0.00 0.00 56.10 53.66 1xn6 s TRP 81 Cb 0.00 -1.47 -0.01 0.00 -0.81 0.00 0.00 33.47 31.18 1xn6 s TRP 81 CO 0.00 0.14 -0.17 0.08 -0.51 0.00 0.00 176.95 176.49 1xn6 s VAL 82 N -0.80 2.67 -0.07 4.03 1.01 0.81 -0.17 120.40 127.89 1xn6 s VAL 82 Ca 0.12 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1xn6 s VAL 82 Cb -0.10 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1xn6 s VAL 82 CO 0.02 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 1xn6 s VAL 83 N 0.23 1.36 -0.02 2.92 1.01 -0.89 0.05 120.40 125.06 1xn6 s VAL 83 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1xn6 s VAL 83 Cb -0.16 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1xn6 s VAL 83 CO 0.06 0.41 0.00 -0.55 0.00 0.00 0.00 175.10 175.02 1xn6 s SER 84 N 0.59 0.27 -0.29 3.32 0.15 0.48 -2.63 113.70 115.59 1xn6 s SER 84 Ca -0.16 -0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 1xn6 s SER 84 Cb -0.16 -0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.04 1xn6 s SER 84 CO 0.05 -0.07 0.03 -0.36 1.20 0.00 0.00 173.24 174.09 1xn6 s PHE 85 N 0.75 3.18 0.50 3.44 0.08 -1.21 0.18 117.98 124.91 1xn6 s PHE 85 Ca -0.07 -1.44 -0.11 0.00 0.12 0.00 0.00 56.93 55.43 1xn6 s PHE 85 Cb -0.10 -2.17 -0.06 0.00 -0.57 0.00 0.00 43.02 40.12 1xn6 s PHE 85 CO -0.02 -0.70 0.90 0.34 -0.10 0.00 0.00 175.22 175.64 1xn6 s ASP 86 N 1.37 6.43 -0.00 1.36 -1.08 0.16 -3.89 116.67 121.02 1xn6 s ASP 86 Ca -0.01 1.29 0.00 0.00 -0.52 0.00 0.00 52.55 53.31 1xn6 s ASP 86 Cb -0.18 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1xn6 s ASP 86 CO -0.00 -0.60 0.00 -0.76 0.52 0.00 0.00 175.17 174.33 1xn6 s LEU 87 N -4.41 1.85 -0.04 -1.34 1.02 -0.96 -2.44 118.68 112.36 1xn6 s LEU 87 Ca 0.54 0.00 0.01 0.00 0.02 0.00 0.00 54.13 54.70 1xn6 s LEU 87 Cb -0.10 -0.02 0.02 0.00 0.02 0.00 0.00 46.19 46.11 1xn6 s LEU 87 CO 0.39 -0.02 -0.05 -0.75 0.02 0.00 0.00 176.35 175.94 1xn6 s LYS 88 N 0.18 0.82 -0.32 1.70 2.20 -0.78 -4.78 119.74 118.75 1xn6 s LYS 88 Ca -0.01 -0.15 -0.27 0.00 -0.36 0.00 0.00 55.97 55.18 1xn6 s LYS 88 Cb -0.02 -0.80 0.01 0.00 -1.51 0.00 0.00 37.83 35.51 1xn6 s LYS 88 CO -0.00 -0.03 0.98 0.34 -0.36 0.00 0.00 175.35 176.28 1xn6 s ASP 89 N 0.69 6.85 -0.21 1.43 2.15 -1.26 -1.12 116.67 125.19 1xn6 s ASP 89 Ca -0.09 0.92 -0.05 0.00 0.43 0.00 0.00 52.55 53.75 1xn6 s ASP 89 Cb -0.13 -2.50 -0.11 0.00 -0.30 0.00 0.00 42.92 39.88 1xn6 s ASP 89 CO 0.00 -0.80 -0.24 0.18 -0.17 0.00 0.00 175.17 174.15 1xn6 n LEU 90 N 6.66 2.20 0.00 -1.34 4.77 -1.16 -4.96 117.00 123.17 1xn6 n LEU 90 Ca 0.09 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1xn6 n LEU 90 Cb 0.47 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1xn6 n LEU 90 CO 0.56 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 1xn6 n GLY 91 N 2.03 -0.25 2.33 -0.72 0.00 -0.88 -4.95 105.19 102.75 1xn6 n GLY 91 Ca -0.40 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.25 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 -3.74 -1.42 1.61 8.00 -1.26 0.19 116.55 119.93 1xn6 n ASP 92 Ca 0.00 0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 1xn6 n ASP 92 Cb 0.00 -3.25 -0.01 0.00 -0.02 0.00 0.00 41.12 37.85 1xn6 n ASP 92 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xn6 n ASN 93 N -1.50 -3.92 -4.35 -2.24 3.02 -1.26 -4.90 115.26 100.11 1xn6 n ASN 93 Ca -0.14 -0.01 -0.25 0.00 -0.03 0.00 0.00 54.58 54.14 1xn6 n ASN 93 Cb 0.57 -3.12 -0.12 0.00 -0.61 0.00 0.00 39.78 36.50 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 -4.63 1.30 -0.12 3.52 1.02 0.50 0.16 119.74 121.48 1xn6 s LYS 94 Ca 0.00 -1.34 -0.12 0.00 0.02 0.00 0.00 55.97 54.54 1xn6 s LYS 94 Cb -0.00 -1.57 0.03 0.00 -0.52 0.00 0.00 37.83 35.77 1xn6 s LYS 94 CO 0.00 0.35 0.34 0.99 -0.92 0.00 0.00 175.35 176.11 1xn6 s THR 95 N -1.46 0.00 -0.24 2.17 2.01 -0.59 -2.07 115.64 115.46 1xn6 s THR 95 Ca 0.13 -0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.87 1xn6 s THR 95 Cb -0.09 -0.48 -0.00 0.00 0.01 0.00 0.00 72.50 71.95 1xn6 s THR 95 CO 0.06 -0.00 0.89 -0.70 -0.69 0.00 0.00 174.62 174.18 1xn6 s GLU 96 N 0.16 4.21 -0.25 4.92 2.12 -0.28 -2.65 118.70 126.94 1xn6 s GLU 96 Ca -0.00 1.07 -0.08 0.00 0.36 0.00 0.00 54.97 56.32 1xn6 s GLU 96 Cb -0.02 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 1xn6 s GLU 96 CO 0.01 -0.54 0.08 0.12 -0.54 0.00 0.00 175.26 174.38 1xn6 s PHE 97 N 2.92 3.11 -0.24 5.30 5.36 0.15 -1.87 117.98 132.71 1xn6 s PHE 97 Ca 0.38 -0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.01 1xn6 s PHE 97 Cb -0.15 -2.23 0.06 0.00 -0.34 0.00 0.00 43.02 40.36 1xn6 s PHE 97 CO 0.07 -0.30 -0.05 0.99 -1.46 0.00 0.00 175.22 174.47 1xn6 s THR 98 N 1.52 1.55 -0.33 0.12 2.01 -1.02 -0.46 115.64 119.02 1xn6 s THR 98 Ca 0.06 -1.25 -0.21 0.00 0.31 0.00 0.00 61.69 60.60 1xn6 s THR 98 Cb -0.15 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.54 1xn6 s THR 98 CO 0.04 -0.11 0.68 -0.22 -0.69 0.00 0.00 174.62 174.32 1xn6 s LEU 99 N 1.38 4.17 -0.27 4.42 0.20 -0.90 0.41 118.68 128.09 1xn6 s LEU 99 Ca -0.06 0.34 -0.03 0.00 0.69 0.00 0.00 54.13 55.08 1xn6 s LEU 99 Cb -0.19 -2.88 0.03 0.00 -0.43 0.00 0.00 46.19 42.72 1xn6 s LEU 99 CO -0.06 -0.58 -0.02 -0.63 -0.29 0.00 0.00 176.35 174.76 1xn6 s ILE 100 N 2.78 3.11 -0.21 6.68 -1.09 0.49 -1.43 121.20 131.53 1xn6 s ILE 100 Ca 0.27 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 1xn6 s ILE 100 Cb -0.14 -2.63 0.05 0.00 -1.58 0.00 0.00 42.46 38.15 1xn6 s ILE 100 CO 0.14 0.11 -0.09 -2.28 -1.23 0.00 0.00 174.94 171.59 1xn6 s HIS 101 N 1.34 2.44 0.00 3.97 5.65 -0.98 0.18 115.29 127.89 1xn6 s HIS 101 Ca -0.01 -1.65 0.00 0.00 0.25 0.00 0.00 55.06 53.66 1xn6 s HIS 101 Cb -0.17 -1.63 0.00 0.00 -1.18 0.00 0.00 32.58 29.59 1xn6 s HIS 101 CO -0.02 -0.75 0.00 0.41 -0.65 0.00 0.00 174.74 173.72 1xn6 n GLY 102 N 4.67 5.65 0.00 1.59 0.00 0.11 -2.48 105.19 114.72 1xn6 n GLY 102 Ca -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 1.31 1.32 0.49 -0.02 0.00 -1.26 -0.13 105.19 106.90 1xn6 n GLY 103 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.63 0.00 1.61 7.02 -1.26 -4.96 117.44 116.22 1xn6 n TRP 104 Ca 0.00 -0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 1xn6 n TRP 104 Cb 0.00 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 28.75 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 -1.61 0.00 -3.38 -0.99 5.02 -1.26 -4.97 118.16 110.97 1xn6 n LYS 105 Ca 0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 1xn6 n LYS 105 Cb 0.08 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.03 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 0.28 3.62 -0.90 2.13 3.76 -1.26 -0.21 115.29 122.72 1xn6 s HIS 106 Ca 0.00 1.05 0.23 0.00 -0.15 0.00 0.00 55.06 56.18 1xn6 s HIS 106 Cb 0.00 -2.36 0.92 0.00 1.11 0.00 0.00 32.58 32.26 1xn6 s HIS 106 CO 0.00 0.46 1.71 -0.35 -0.85 0.00 0.00 174.74 175.71 1xn6 n PRO 107 N 0.92 0.06 -0.05 8.40 -0.04 -1.26 -3.57 135.00 139.45 1xn6 n PRO 107 Ca -0.06 0.17 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1xn6 n PRO 107 Cb 0.52 -1.59 -0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1xn6 n PRO 107 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xn6 h ASP 108 N 0.00 0.00 -2.64 3.54 3.32 -1.98 -3.42 116.42 115.25 1xn6 h ASP 108 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1xn6 h ASP 108 Cb 0.42 0.00 0.23 0.00 0.22 0.00 0.00 39.33 40.20 1xn6 h ASP 108 CO 0.00 0.53 -1.09 -1.84 -1.72 0.00 0.00 179.24 175.13 1xn6 n GLU 109 N -4.52 -0.75 -4.43 3.56 0.28 -1.23 -4.92 120.64 108.63 1xn6 n GLU 109 Ca -0.02 -0.19 -0.20 0.00 -0.16 0.00 0.00 57.16 56.59 1xn6 n GLU 109 Cb 0.08 -1.64 -0.14 0.00 1.43 0.00 0.00 31.44 31.17 1xn6 n GLU 109 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xn6 s ILE 110 N -2.26 0.89 0.69 3.84 -1.09 -1.26 -4.54 121.20 117.46 1xn6 s ILE 110 Ca 0.53 -0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 58.22 1xn6 s ILE 110 Cb -0.15 -0.77 0.01 0.00 -1.58 0.00 0.00 42.46 39.98 1xn6 s ILE 110 CO 0.68 0.17 1.10 -0.22 -1.23 0.00 0.00 174.94 175.44 1xn6 s LEU 111 N -0.48 3.30 -0.07 2.97 2.96 -1.26 -4.91 118.68 121.18 1xn6 s LEU 111 Ca 0.03 1.94 -0.17 0.00 -0.22 0.00 0.00 54.13 55.71 1xn6 s LEU 111 Cb -0.05 -4.54 -0.13 0.00 0.50 0.00 0.00 46.19 41.97 1xn6 s LEU 111 CO -0.00 -1.71 0.66 1.55 -1.32 0.00 0.00 176.35 175.53 1xn6 h PRO 112 N -0.26 -0.19 0.00 0.98 0.13 -1.95 -2.75 132.00 127.96 1xn6 h PRO 112 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xn6 h PRO 112 Cb 1.24 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xn6 h PRO 112 CO 0.54 0.19 0.00 1.63 -0.23 0.00 0.00 178.00 180.13 1xn6 n LYS 113 N -4.89 0.00 -0.09 0.86 5.02 -1.26 -4.23 118.16 113.56 1xn6 n LYS 113 Ca -0.06 0.43 -0.03 0.00 -2.02 0.00 0.00 58.31 56.62 1xn6 n LYS 113 Cb 0.23 -1.10 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn6 h ALA 114 N -2.00 -0.24 -0.12 7.82 0.00 -1.79 -3.47 119.26 119.45 1xn6 h ALA 114 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xn6 h ALA 114 Cb 0.00 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xn6 h ALA 114 CO 0.00 -0.35 -0.02 -1.71 0.00 0.00 0.00 179.25 177.17 1xn6 n ASN 115 N -3.57 -0.32 -1.44 0.00 5.15 -1.04 -4.99 115.26 109.05 1xn6 n ASN 115 Ca 0.00 0.02 0.06 0.00 -0.60 0.00 0.00 54.58 54.06 1xn6 n ASN 115 Cb 0.08 -0.17 -0.03 0.00 -0.53 0.00 0.00 39.78 39.13 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 -1.21 -2.48 -1.67 5.20 0.00 -1.26 -4.66 120.51 114.43 1xn6 n ALA 116 Ca 0.00 0.61 -0.51 0.00 0.00 0.00 0.00 53.44 53.54 1xn6 n ALA 116 Cb 0.02 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.14 1.72 -0.17 0.00 5.02 -1.26 -4.52 118.16 115.82 1xn6 n LYS 117 Ca -0.03 0.63 -0.02 0.00 -2.02 0.00 0.00 58.31 56.86 1xn6 n LYS 117 Cb 0.52 -2.38 0.07 0.00 -0.02 0.00 0.00 35.03 33.23 1xn6 n LYS 117 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xn6 h SER 118 N 7.09 0.13 -1.33 4.39 0.87 -1.80 0.56 113.55 123.46 1xn6 h SER 118 Ca -0.47 0.07 0.42 0.00 -1.23 0.00 0.00 61.79 60.58 1xn6 h SER 118 Cb 1.29 0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 63.21 1xn6 h SER 118 CO 0.91 0.10 0.88 0.77 -0.53 0.00 0.00 176.83 178.96 1xn6 h SER 119 N 0.33 0.23 0.20 6.23 4.64 -1.88 1.84 113.55 125.13 1xn6 h SER 119 Ca 0.25 0.11 -0.31 0.00 -0.47 0.00 0.00 61.79 61.37 1xn6 h SER 119 Cb 0.30 0.09 0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1xn6 h SER 119 CO -0.28 -0.11 -1.34 0.40 -0.87 0.00 0.00 176.83 174.63 1xn6 h ILE 120 N 0.11 1.30 0.01 0.95 2.04 -1.27 -1.96 117.51 118.70 1xn6 h ILE 120 Ca 0.78 -2.59 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 1xn6 h ILE 120 Cb 2.51 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 41.53 1xn6 h ILE 120 CO -0.33 0.78 -0.00 0.40 0.00 0.00 0.00 178.15 178.99 1xn6 h ILE 121 N 0.14 1.19 0.00 -0.67 1.08 0.28 0.69 117.51 120.21 1xn6 h ILE 121 Ca -0.22 -0.58 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 1xn6 h ILE 121 Cb 2.03 1.58 -0.00 0.00 -3.07 0.00 0.00 36.82 37.36 1xn6 h ILE 121 CO 0.25 0.15 -0.12 0.08 -0.69 0.00 0.00 178.15 177.83 1xn6 h ARG 122 N -0.26 0.00 -0.01 2.37 0.11 0.20 0.39 114.38 117.18 1xn6 h ARG 122 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1xn6 h ARG 122 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1xn6 h ARG 122 CO 0.00 0.12 -0.04 -0.44 0.10 0.00 0.00 179.97 179.71 1xn6 h ASP 123 N 0.00 0.05 -0.23 0.08 3.32 -0.87 0.65 116.42 119.42 1xn6 h ASP 123 Ca -0.00 -0.68 -0.05 0.00 0.02 0.00 0.00 57.03 56.32 1xn6 h ASP 123 Cb 0.30 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1xn6 h ASP 123 CO 0.02 0.72 -0.05 0.03 -1.72 0.00 0.00 179.24 178.24 1xn6 h ARG 124 N -0.62 0.43 -0.43 3.56 3.08 -0.46 0.66 114.38 120.59 1xn6 h ARG 124 Ca -0.00 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1xn6 h ARG 124 Cb 0.72 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1xn6 h ARG 124 CO 0.01 0.66 0.20 1.98 -1.07 0.00 0.00 179.97 181.74 1xn6 h MET 125 N 0.17 0.63 0.11 0.04 4.05 -0.32 -2.06 114.93 117.55 1xn6 h MET 125 Ca 0.06 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1xn6 h MET 125 Cb 0.49 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1xn6 h MET 125 CO 0.02 0.56 -0.05 1.03 0.23 0.00 0.00 176.91 178.70 1xn6 h SER 126 N 0.56 -0.12 -0.96 1.39 0.87 -0.81 0.69 113.55 115.16 1xn6 h SER 126 Ca 0.15 -0.14 0.22 0.00 -1.23 0.00 0.00 61.79 60.79 1xn6 h SER 126 Cb 0.14 0.03 -0.12 0.00 -0.44 0.00 0.00 62.40 62.01 1xn6 h SER 126 CO -0.02 0.07 0.53 1.23 -0.53 0.00 0.00 176.83 178.11 1xn6 h GLY 127 N -0.31 1.75 0.97 5.77 0.00 -0.75 0.84 103.07 111.35 1xn6 h GLY 127 Ca -0.01 -0.27 -0.26 0.00 0.00 0.00 0.00 47.33 46.79 1xn6 h GLY 127 CO 0.02 -0.22 -1.12 -1.33 0.00 0.00 0.00 176.54 173.89 1xn6 h GLY 128 N 0.55 0.50 0.73 4.60 0.00 -1.08 -3.04 103.07 105.33 1xn6 h GLY 128 Ca 0.60 -1.23 0.07 0.00 0.00 0.00 0.00 47.33 46.77 1xn6 h GLY 128 CO -0.47 1.08 0.63 1.49 0.00 0.00 0.00 176.54 179.27 1xn6 h TRP 129 N -0.09 1.17 -0.40 5.60 -0.00 0.20 1.48 115.95 123.90 1xn6 h TRP 129 Ca -0.19 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.74 1xn6 h TRP 129 Cb 1.88 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 30.63 1xn6 h TRP 129 CO 0.16 0.60 0.26 0.28 -0.00 0.00 0.00 178.44 179.74 1xn6 h VAL 130 N 1.14 1.09 0.11 1.49 2.07 0.58 1.35 116.25 124.09 1xn6 h VAL 130 Ca 0.43 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1xn6 h VAL 130 Cb 0.17 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1xn6 h VAL 130 CO -0.17 0.10 -0.05 0.00 0.02 0.00 0.00 177.57 177.46 1xn6 h ALA 131 N 1.16 -0.15 -0.92 1.67 0.00 -1.01 -0.86 119.26 119.15 1xn6 h ALA 131 Ca 0.15 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1xn6 h ALA 131 Cb -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1xn6 h ALA 131 CO -0.04 -0.34 0.59 0.82 0.00 0.00 0.00 179.25 180.28 1xn6 h ILE 132 N -0.63 0.96 0.00 0.00 2.04 0.22 1.40 117.51 121.49 1xn6 h ILE 132 Ca -0.02 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 1xn6 h ILE 132 Cb 0.50 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1xn6 h ILE 132 CO 0.02 0.17 -0.41 0.58 0.00 0.00 0.00 178.15 178.51 1xn6 h VAL 133 N 0.92 1.27 -0.62 1.67 2.07 0.19 -1.62 116.25 120.13 1xn6 h VAL 133 Ca 0.43 -1.41 -0.44 0.00 0.82 0.00 0.00 66.70 66.11 1xn6 h VAL 133 Cb 0.43 1.76 -0.31 0.00 -1.52 0.00 0.00 31.29 31.65 1xn6 h VAL 133 CO -0.19 0.40 -0.48 0.59 0.02 0.00 0.00 177.57 177.91 1xn6 n ASN 134 N -4.02 4.46 0.01 0.57 3.02 0.12 -3.60 115.26 115.83 1xn6 n ASN 134 Ca -0.02 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.75 1xn6 n ASN 134 Cb 0.44 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.85 0.00 -0.07 3.52 -0.58 0.44 -4.89 120.64 118.21 1xn6 n GLU 135 Ca 0.41 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 57.07 1xn6 n GLU 135 Cb 0.90 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.73 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 -0.95 3.49 1.57 -1.51 -3.14 116.57 116.03 1xn6 h LYS 136 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1xn6 h LYS 136 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.19 1xn6 h LYS 136 CO 0.00 0.29 -0.50 -0.11 -0.57 0.00 0.00 179.45 178.55 1xn6 n LEU 137 N -4.61 -0.89 0.12 2.94 -0.00 -0.74 0.22 117.00 114.04 1xn6 n LEU 137 Ca -0.11 1.68 -0.14 0.00 -0.00 0.00 0.00 56.01 57.44 1xn6 n LEU 137 Cb 0.31 -0.26 -0.07 0.00 -0.00 0.00 0.00 43.42 43.40 1xn6 n LEU 137 CO 0.12 -1.40 0.61 0.50 -0.00 0.00 0.00 177.39 177.21 1xn6 h LYS 138 N 0.00 -0.59 -0.91 1.96 1.63 -1.75 0.54 116.57 117.44 1xn6 h LYS 138 Ca 0.20 0.04 0.19 0.00 -0.85 0.00 0.00 60.65 60.23 1xn6 h LYS 138 Cb 0.44 0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 32.13 1xn6 h LYS 138 CO -0.90 -0.40 0.59 -0.22 -3.45 0.00 0.00 179.45 175.07 1xn6 h LYS 139 N -0.62 0.49 0.38 1.90 3.64 -0.29 1.78 116.57 123.85 1xn6 h LYS 139 Ca 0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1xn6 h LYS 139 Cb 0.65 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1xn6 h LYS 139 CO -0.23 0.32 -0.18 0.28 -2.27 0.00 0.00 179.45 177.37 1xn6 h VAL 140 N 0.50 0.58 0.65 2.00 2.07 0.51 1.17 116.25 123.73 1xn6 h VAL 140 Ca 0.48 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1xn6 h VAL 140 Cb 1.06 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1xn6 h VAL 140 CO -0.21 0.09 -0.31 0.58 0.02 0.00 0.00 177.57 177.73 1xn6 h VAL 141 N -0.82 0.29 -0.07 2.57 2.07 0.15 -2.55 116.25 117.89 1xn6 h VAL 141 Ca -0.05 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1xn6 h VAL 141 Cb 0.53 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1xn6 h VAL 141 CO 0.09 0.02 0.06 -0.08 0.02 0.00 0.00 177.57 177.68 1xn6 h GLU 142 N -1.01 0.00 0.00 1.57 4.81 0.26 -3.49 114.58 116.72 1xn6 h GLU 142 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1xn6 h GLU 142 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1xn6 h GLU 142 CO 0.15 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.84