#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 2.33 0.03 0.03 0.41 -1.26 -5.05 118.70 115.19 1xn6 s GLU 2 Ca 0.00 -1.85 0.00 0.00 -0.41 0.00 0.00 54.97 52.71 1xn6 s GLU 2 Cb 0.00 -2.21 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 1xn6 s GLU 2 CO 0.00 -0.48 0.00 0.94 -0.49 0.00 0.00 175.26 175.23 1xn6 n GLN 3 N -1.70 -0.25 -3.90 1.61 -0.06 -1.26 -5.00 117.38 106.82 1xn6 n GLN 3 Ca 0.01 0.18 -0.24 0.00 -2.00 0.00 0.00 57.00 54.95 1xn6 n GLN 3 Cb 0.63 -0.30 -0.04 0.00 -4.06 0.00 0.00 30.24 26.47 1xn6 n GLN 3 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1xn6 s GLN 4 N -1.63 2.33 1.13 3.69 2.00 -1.26 -5.11 119.66 120.81 1xn6 s GLN 4 Ca 0.00 -1.82 -0.16 0.00 -2.00 0.00 0.00 55.36 51.38 1xn6 s GLN 4 Cb 0.00 -2.13 0.17 0.00 0.80 0.00 0.00 33.01 31.86 1xn6 s GLN 4 CO 0.00 -0.30 0.44 0.09 -0.50 0.00 0.00 175.29 175.02 1xn6 n ASN 5 N -1.49 -2.07 -1.46 6.67 4.13 -1.26 -4.77 115.26 115.02 1xn6 n ASN 5 Ca -0.00 -0.10 0.19 0.00 1.68 0.00 0.00 54.58 56.34 1xn6 n ASN 5 Cb 0.64 -1.10 -0.06 0.00 -1.54 0.00 0.00 39.78 37.72 1xn6 n ASN 5 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1xn6 n THR 6 N -4.60 0.00 -1.73 3.41 -1.04 -1.26 -4.84 114.28 104.23 1xn6 n THR 6 Ca 0.02 0.34 -0.31 0.00 -2.04 0.00 0.00 64.05 62.07 1xn6 n THR 6 Cb 0.58 -0.83 0.04 0.00 -1.82 0.00 0.00 70.33 68.30 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 -7.20 3.04 0.50 -4.42 1.43 0.15 -4.97 118.68 107.21 1xn6 s LEU 7 Ca 0.00 1.41 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1xn6 s LEU 7 Cb 0.00 -4.29 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 1xn6 s LEU 7 CO 0.00 -1.31 0.01 0.20 0.23 0.00 0.00 176.35 175.49 1xn6 s ASN 8 N -4.05 4.11 -0.11 2.29 -0.87 -1.26 -4.86 114.94 110.19 1xn6 s ASN 8 Ca 0.57 -1.60 -0.21 0.00 -1.57 0.00 0.00 52.86 50.05 1xn6 s ASN 8 Cb -0.12 0.38 -0.04 0.00 -0.02 0.00 0.00 41.25 41.45 1xn6 s ASN 8 CO 0.54 -0.80 0.61 -1.81 -2.57 0.00 0.00 177.10 173.07 1xn6 s ASP 9 N -3.86 6.83 -0.63 -1.22 1.11 -1.26 -4.91 116.67 112.73 1xn6 s ASP 9 Ca 0.11 1.00 -0.26 0.00 0.18 0.00 0.00 52.55 53.58 1xn6 s ASP 9 Cb 0.03 -2.36 -0.10 0.00 1.07 0.00 0.00 42.92 41.56 1xn6 s ASP 9 CO 0.06 -0.10 2.42 -0.38 1.18 0.00 0.00 175.17 178.35 1xn6 n ILE 10 N 3.88 -0.05 -3.49 0.77 5.41 -0.61 -4.77 119.36 120.50 1xn6 n ILE 10 Ca -0.03 -0.67 -0.37 0.00 1.00 0.00 0.00 62.75 62.68 1xn6 n ILE 10 Cb 0.51 -2.44 -0.07 0.00 -0.71 0.00 0.00 39.64 36.94 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 8.59 4.20 -0.42 0.38 2.20 -1.25 -1.69 119.74 131.76 1xn6 s LYS 11 Ca 0.96 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1xn6 s LYS 11 Cb -0.16 -3.39 0.13 0.00 -1.51 0.00 0.00 37.83 32.90 1xn6 s LYS 11 CO 0.18 0.29 0.22 -0.65 -0.36 0.00 0.00 175.35 175.03 1xn6 s GLN 12 N 0.26 1.19 -0.22 4.03 -0.21 0.21 -4.93 119.66 119.99 1xn6 s GLN 12 Ca 0.20 -1.86 -0.19 0.00 0.02 0.00 0.00 55.36 53.53 1xn6 s GLN 12 Cb -0.14 -2.26 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 1xn6 s GLN 12 CO 0.07 -1.14 0.56 0.99 -2.12 0.00 0.00 175.29 173.65 1xn6 s THR 13 N 0.55 5.06 0.01 -0.19 2.01 -1.26 -0.96 115.64 120.87 1xn6 s THR 13 Ca 0.17 1.02 -0.07 0.00 0.31 0.00 0.00 61.69 63.11 1xn6 s THR 13 Cb -0.24 -3.88 -0.00 0.00 0.01 0.00 0.00 72.50 68.40 1xn6 s THR 13 CO -0.03 0.12 0.14 -0.51 -0.69 0.00 0.00 174.62 173.65 1xn6 s ILE 14 N 1.97 0.10 -0.11 1.82 2.07 0.26 -4.99 121.20 122.33 1xn6 s ILE 14 Ca 0.25 -0.79 -0.03 0.00 -1.41 0.00 0.00 60.65 58.67 1xn6 s ILE 14 Cb -0.16 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.83 1xn6 s ILE 14 CO 0.09 -0.43 -0.00 -0.69 -1.91 0.00 0.00 174.94 172.00 1xn6 s VAL 15 N -1.74 4.26 0.23 4.00 1.01 -1.26 0.10 120.40 127.01 1xn6 s VAL 15 Ca -0.12 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1xn6 s VAL 15 Cb -0.06 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1xn6 s VAL 15 CO -0.00 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.16 1xn6 s PHE 16 N -0.48 1.87 -1.33 5.22 0.08 -0.30 -4.96 117.98 118.08 1xn6 s PHE 16 Ca 0.08 -0.53 -0.07 0.00 0.12 0.00 0.00 56.93 56.53 1xn6 s PHE 16 Cb -0.12 -0.88 0.12 0.00 -0.57 0.00 0.00 43.02 41.58 1xn6 s PHE 16 CO 0.02 0.43 2.23 -1.71 -0.10 0.00 0.00 175.22 176.09 1xn6 n ASN 17 N -0.46 6.88 -2.57 1.36 2.85 -1.26 -1.79 115.26 120.27 1xn6 n ASN 17 Ca -0.07 -3.09 -0.10 0.00 -0.11 0.00 0.00 54.58 51.21 1xn6 n ASN 17 Cb 0.61 -1.42 -0.01 0.00 1.24 0.00 0.00 39.78 40.20 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 2.75 -0.77 -2.77 5.20 0.00 0.30 -4.83 120.51 120.39 1xn6 n ALA 18 Ca 0.55 -1.21 -0.31 0.00 0.00 0.00 0.00 53.44 52.46 1xn6 n ALA 18 Cb 0.29 0.98 -0.07 0.00 0.00 0.00 0.00 19.45 20.65 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 -2.75 5.49 0.31 0.00 0.01 -1.26 -1.17 113.70 114.34 1xn6 s SER 19 Ca 0.19 -0.01 0.07 0.00 1.31 0.00 0.00 55.95 57.52 1xn6 s SER 19 Cb -0.02 -1.47 0.87 0.00 0.21 0.00 0.00 66.02 65.61 1xn6 s SER 19 CO 0.14 0.18 1.65 -0.29 0.41 0.00 0.00 173.24 175.34 1xn6 h ILE 20 N 2.66 0.31 -0.28 1.44 2.10 -1.87 0.71 117.51 122.58 1xn6 h ILE 20 Ca -0.47 -0.09 0.01 0.00 1.08 0.00 0.00 64.86 65.39 1xn6 h ILE 20 Cb 1.16 0.02 -0.02 0.00 -1.09 0.00 0.00 36.82 36.90 1xn6 h ILE 20 CO 0.65 0.05 0.16 1.56 -1.08 0.00 0.00 178.15 179.49 1xn6 h GLN 21 N 0.26 0.32 0.61 2.19 7.50 -1.94 0.56 115.11 124.62 1xn6 h GLN 21 Ca 0.63 -0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.73 1xn6 h GLN 21 Cb 1.35 -0.07 0.01 0.00 0.05 0.00 0.00 27.48 28.82 1xn6 h GLN 21 CO -0.64 0.21 -0.29 -0.22 -1.50 0.00 0.00 178.83 176.39 1xn6 h LYS 22 N 0.33 -0.79 -0.90 1.46 3.64 -0.12 0.83 116.57 121.02 1xn6 h LYS 22 Ca 0.11 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.68 1xn6 h LYS 22 Cb 0.00 0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1xn6 h LYS 22 CO -0.05 -0.52 0.58 0.28 -2.27 0.00 0.00 179.45 177.46 1xn6 h VAL 23 N -0.83 0.87 -0.39 2.00 2.07 -0.48 0.16 116.25 119.66 1xn6 h VAL 23 Ca -0.08 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1xn6 h VAL 23 Cb 0.63 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1xn6 h VAL 23 CO 0.14 0.14 0.23 -0.25 0.02 0.00 0.00 177.57 177.85 1xn6 h TRP 24 N 0.75 0.52 -0.25 1.57 2.91 0.74 -0.85 115.95 121.35 1xn6 h TRP 24 Ca 0.45 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.51 1xn6 h TRP 24 Cb 0.64 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 1xn6 h TRP 24 CO -0.00 0.37 0.17 1.03 -1.03 0.00 0.00 178.44 178.98 1xn6 h SER 25 N 0.51 0.11 0.48 2.65 0.87 0.17 0.75 113.55 119.09 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 0.01 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1xn6 h SER 25 CO -0.03 0.08 0.00 0.52 -0.53 0.00 0.00 176.83 176.87 1xn6 n VAL 26 N -4.49 0.22 -2.76 2.23 0.31 -0.37 -3.13 118.33 110.35 1xn6 n VAL 26 Ca 0.02 0.05 -0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1xn6 n VAL 26 Cb 0.23 -0.65 0.05 0.00 -0.91 0.00 0.00 33.84 32.56 1xn6 n VAL 26 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xn6 n VAL 27 N -1.29 1.04 -1.87 2.52 0.24 0.24 -4.25 118.33 114.96 1xn6 n VAL 27 Ca 0.11 -2.80 -0.05 0.00 -2.04 0.00 0.00 64.34 59.57 1xn6 n VAL 27 Cb 0.20 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.46 -0.71 -2.55 -1.34 3.41 0.01 -4.92 113.62 107.05 1xn6 n SER 28 Ca 0.06 -1.42 -0.13 0.00 -0.26 0.00 0.00 58.87 57.12 1xn6 n SER 28 Cb 0.81 0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.93 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 -0.02 0.00 -0.10 6.66 -2.24 -1.24 -4.90 114.28 112.44 1xn6 n THR 29 Ca -0.20 -1.56 -0.13 0.00 -2.27 0.00 0.00 64.05 59.89 1xn6 n THR 29 Cb 0.57 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.58 1.56 0.07 6.98 0.00 -1.26 -4.17 120.51 122.11 1xn6 n ALA 30 Ca -0.08 -0.90 -0.21 0.00 0.00 0.00 0.00 53.44 52.25 1xn6 n ALA 30 Cb 0.39 0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.70 1xn6 n ALA 30 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xn6 h GLU 31 N 0.00 0.35 -0.10 0.00 4.39 -1.96 -2.91 114.58 114.35 1xn6 h GLU 31 Ca -0.46 -0.60 0.04 0.00 0.34 0.00 0.00 59.36 58.68 1xn6 h GLU 31 Cb 1.75 0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 30.57 1xn6 h GLU 31 CO -0.06 1.29 -0.22 0.78 -1.16 0.00 0.00 179.01 179.64 1xn6 h GLY 32 N -0.23 -0.24 0.87 -3.84 0.00 -1.85 0.31 103.07 98.09 1xn6 h GLY 32 Ca -0.18 0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1xn6 h GLY 32 CO 0.18 -0.19 0.16 -2.22 0.00 0.00 0.00 176.54 174.47 1xn6 h ILE 33 N -0.30 1.00 0.00 2.60 2.04 -1.73 0.14 117.51 121.26 1xn6 h ILE 33 Ca 0.09 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1xn6 h ILE 33 Cb 0.43 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1xn6 h ILE 33 CO -0.27 0.06 -0.00 0.00 0.00 0.00 0.00 178.15 177.94 1xn6 h ALA 34 N 1.16 1.03 0.00 1.87 0.00 -1.16 0.58 119.26 122.73 1xn6 h ALA 34 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xn6 h ALA 34 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xn6 h ALA 34 CO -0.08 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.62 1xn6 n SER 35 N -3.12 0.00 -2.69 0.00 2.88 0.10 -4.11 113.62 106.68 1xn6 n SER 35 Ca -0.03 0.35 -0.05 0.00 -1.33 0.00 0.00 58.87 57.80 1xn6 n SER 35 Cb 0.08 -0.44 0.09 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.44 -1.36 0.00 0.66 4.27 0.17 -4.81 117.44 114.92 1xn6 n TRP 36 Ca 0.07 -1.13 0.00 0.00 -3.89 0.00 0.00 57.50 52.55 1xn6 n TRP 36 Cb 0.25 1.29 0.00 0.00 -1.36 0.00 0.00 31.31 31.49 1xn6 n TRP 36 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1xn6 n PHE 37 N 1.01 -0.85 0.00 -2.67 -0.00 0.78 -4.87 117.46 110.86 1xn6 n PHE 37 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1xn6 n PHE 37 Cb 0.71 0.22 0.00 0.00 -0.00 0.00 0.00 39.48 40.41 1xn6 n PHE 37 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1xn6 n MET 38 N -1.98 0.00 -2.43 -4.13 2.81 -1.23 -4.98 117.12 105.17 1xn6 n MET 38 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 1xn6 n MET 38 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 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 4.33 0.18 0.03 0.04 -1.25 -3.56 135.00 132.77 1xn6 s PRO 39 Ca 0.00 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.54 1xn6 s PRO 39 Cb 0.00 -3.59 0.07 0.00 0.04 0.00 0.00 34.50 31.03 1xn6 s PRO 39 CO 0.00 -0.49 0.96 0.27 0.04 0.00 0.00 177.00 177.77 1xn6 n ASN 40 N 5.39 -1.64 -3.30 6.66 0.23 -1.26 0.15 115.26 121.50 1xn6 n ASN 40 Ca 0.11 -1.87 -0.28 0.00 -0.53 0.00 0.00 54.58 52.01 1xn6 n ASN 40 Cb 0.46 2.67 -0.06 0.00 -2.08 0.00 0.00 39.78 40.77 1xn6 n ASN 40 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xn6 n ASP 41 N -1.26 4.32 -3.61 0.53 8.00 -1.24 -4.83 116.55 118.45 1xn6 n ASP 41 Ca -0.02 -3.54 -0.33 0.00 0.71 0.00 0.00 54.79 51.61 1xn6 n ASP 41 Cb 0.54 -0.69 0.03 0.00 -0.02 0.00 0.00 41.12 40.98 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 0.46 -3.83 -3.71 1.24 7.35 -1.26 -4.85 117.46 112.86 1xn6 n PHE 42 Ca 0.31 0.13 -0.13 0.00 -0.76 0.00 0.00 57.45 57.00 1xn6 n PHE 42 Cb 0.39 -1.35 -0.13 0.00 0.35 0.00 0.00 39.48 38.74 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 -1.76 -0.15 -1.20 -2.13 0.11 -1.26 -4.74 120.40 109.27 1xn6 s VAL 43 Ca 0.41 0.19 -0.05 0.00 -2.93 0.00 0.00 61.98 59.60 1xn6 s VAL 43 Cb -0.27 -0.40 0.21 0.00 -1.53 0.00 0.00 36.38 34.40 1xn6 s VAL 43 CO 0.67 0.08 1.95 -0.11 -3.33 0.00 0.00 175.10 174.37 1xn6 n LEU 44 N 4.56 7.22 -3.83 2.54 7.94 -1.26 -4.91 117.00 129.26 1xn6 n LEU 44 Ca -0.20 -5.00 -0.12 0.00 -1.11 0.00 0.00 56.01 49.58 1xn6 n LEU 44 Cb 0.52 -1.33 -0.13 0.00 0.53 0.00 0.00 43.42 43.01 1xn6 n LEU 44 CO 0.11 1.81 -0.25 -1.61 -1.11 0.00 0.00 177.39 176.34 1xn6 s GLU 45 N -1.76 0.12 0.24 1.96 2.02 -1.26 -5.11 118.70 114.91 1xn6 s GLU 45 Ca 0.42 0.16 -0.30 0.00 0.02 0.00 0.00 54.97 55.27 1xn6 s GLU 45 Cb 0.14 0.04 -0.09 0.00 0.10 0.00 0.00 34.13 34.31 1xn6 s GLU 45 CO -0.03 -0.03 1.28 0.08 0.02 0.00 0.00 175.26 176.58 1xn6 s VAL 46 N 0.14 3.12 -1.80 2.63 1.01 -1.26 -2.27 120.40 121.97 1xn6 s VAL 46 Ca -0.01 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1xn6 s VAL 46 Cb -0.02 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1xn6 s VAL 46 CO -0.00 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1xn6 n GLY 47 N 1.86 0.95 2.74 4.51 0.00 -1.10 -4.86 105.19 109.28 1xn6 n GLY 47 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1xn6 n GLY 47 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xn6 n HIS 48 N -2.77 2.75 -1.61 1.61 -0.00 -0.96 -4.96 115.22 109.28 1xn6 n HIS 48 Ca -0.19 -2.70 -0.40 0.00 -0.00 0.00 0.00 57.72 54.42 1xn6 n HIS 48 Cb 0.62 -1.15 0.02 0.00 -0.00 0.00 0.00 29.99 29.49 1xn6 n HIS 48 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1xn6 n GLU 49 N 0.26 1.22 -2.54 1.57 0.28 -1.26 -4.64 120.64 115.54 1xn6 n GLU 49 Ca 0.41 0.45 -0.05 0.00 -0.16 0.00 0.00 57.16 57.80 1xn6 n GLU 49 Cb 0.29 -2.07 -0.02 0.00 1.43 0.00 0.00 31.44 31.07 1xn6 n GLU 49 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1xn6 n PHE 50 N -0.84 -0.02 -4.51 -1.84 -1.74 -0.60 -5.00 117.46 102.91 1xn6 n PHE 50 Ca 0.10 -0.60 -0.24 0.00 -0.56 0.00 0.00 57.45 56.15 1xn6 n PHE 50 Cb 0.42 0.01 -0.14 0.00 1.52 0.00 0.00 39.48 41.29 1xn6 n PHE 50 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 1xn6 s HIS 51 N -1.98 1.68 0.36 2.97 2.46 -1.26 -3.03 115.29 116.49 1xn6 s HIS 51 Ca 0.06 -0.38 0.06 0.00 0.47 0.00 0.00 55.06 55.26 1xn6 s HIS 51 Cb 0.00 -0.98 -0.07 0.00 -0.13 0.00 0.00 32.58 31.40 1xn6 s HIS 51 CO 0.04 0.10 0.02 0.14 -2.47 0.00 0.00 174.74 172.57 1xn6 s VAL 52 N -0.89 1.65 -0.24 0.89 -7.23 -1.26 -3.69 120.40 109.63 1xn6 s VAL 52 Ca 0.06 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1xn6 s VAL 52 Cb -0.09 -2.85 0.06 0.00 0.56 0.00 0.00 36.38 34.06 1xn6 s VAL 52 CO 0.02 -0.04 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.61 1xn6 s GLN 53 N -3.78 1.79 0.22 4.82 -1.52 0.12 -4.30 119.66 117.02 1xn6 s GLN 53 Ca 0.35 -1.11 0.11 0.00 -1.95 0.00 0.00 55.36 52.76 1xn6 s GLN 53 Cb 0.09 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 30.15 1xn6 s GLN 53 CO 0.16 -0.60 -0.21 -1.12 -0.25 0.00 0.00 175.29 173.28 1xn6 s SER 54 N 1.30 3.29 0.48 5.90 0.01 -1.25 -3.79 113.70 119.64 1xn6 s SER 54 Ca -0.06 -0.94 0.27 0.00 1.31 0.00 0.00 55.95 56.53 1xn6 s SER 54 Cb -0.19 -0.24 0.83 0.00 0.21 0.00 0.00 66.02 66.62 1xn6 s SER 54 CO -0.06 0.04 1.79 1.55 0.41 0.00 0.00 173.24 176.97 1xn6 h PRO 55 N 2.82 0.00 0.12 12.44 0.13 -2.00 -3.17 132.00 142.34 1xn6 h PRO 55 Ca -0.43 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 1xn6 h PRO 55 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1xn6 h PRO 55 CO 0.54 0.04 -1.73 0.35 -0.23 0.00 0.00 178.00 176.97 1xn6 h PHE 56 N 0.00 0.47 0.00 1.56 3.04 -2.04 -3.50 116.94 116.47 1xn6 h PHE 56 Ca -0.00 -0.34 0.00 0.00 3.98 0.00 0.00 57.97 61.61 1xn6 h PHE 56 Cb 0.78 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.27 1xn6 h PHE 56 CO 0.00 1.52 0.00 0.41 -2.02 0.00 0.00 178.31 178.22 1xn6 n GLY 57 N 1.79 2.48 3.72 2.40 0.00 -1.20 -5.13 105.19 109.25 1xn6 n GLY 57 Ca -0.23 -0.90 -0.42 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 -2.00 4.46 -0.32 1.61 0.04 -1.26 -3.88 135.00 133.65 1xn6 s PRO 58 Ca 0.00 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 1xn6 s PRO 58 Cb 0.00 -3.35 0.11 0.00 0.04 0.00 0.00 34.50 31.30 1xn6 s PRO 58 CO 0.00 -0.19 0.15 -1.12 0.04 0.00 0.00 177.00 175.88 1xn6 s SER 59 N 0.92 3.53 0.13 6.66 0.01 -1.26 -4.82 113.70 118.87 1xn6 s SER 59 Ca 0.57 -1.71 -0.30 0.00 1.31 0.00 0.00 55.95 55.82 1xn6 s SER 59 Cb -0.28 -0.54 -0.07 0.00 0.21 0.00 0.00 66.02 65.34 1xn6 s SER 59 CO 0.30 -0.39 1.14 -2.16 0.41 0.00 0.00 173.24 172.54 1xn6 s PRO 60 N 1.58 4.53 0.37 12.44 0.04 -1.26 -4.21 135.00 148.49 1xn6 s PRO 60 Ca 0.12 1.74 0.07 0.00 0.04 0.00 0.00 61.00 62.97 1xn6 s PRO 60 Cb -0.19 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 1xn6 s PRO 60 CO -0.22 -0.06 0.39 0.00 0.04 0.00 0.00 177.00 177.16 1xn6 s LYS 62 N -4.12 0.09 0.05 0.00 2.20 -0.92 -1.56 119.74 115.47 1xn6 s LYS 62 Ca 0.46 0.24 -0.33 0.00 -0.36 0.00 0.00 55.97 55.97 1xn6 s LYS 62 Cb -0.06 -1.06 -0.12 0.00 -1.51 0.00 0.00 37.83 35.07 1xn6 s LYS 62 CO 0.29 -0.53 1.76 0.28 -0.36 0.00 0.00 175.35 176.78 1xn6 n VAL 63 N 5.31 0.32 -0.07 4.02 0.31 -1.26 -1.70 118.33 125.25 1xn6 n VAL 63 Ca -0.05 -0.06 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 1xn6 n VAL 63 Cb 0.49 -1.79 -0.04 0.00 -0.91 0.00 0.00 33.84 31.59 1xn6 n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1xn6 h LEU 64 N 7.83 0.00 -8.31 7.52 3.38 -1.31 -2.91 115.31 121.51 1xn6 h LEU 64 Ca -0.47 -0.17 -0.34 0.00 0.09 0.00 0.00 57.88 56.99 1xn6 h LEU 64 Cb 1.26 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.80 1xn6 h LEU 64 CO 0.92 0.89 -0.75 -0.70 0.09 0.00 0.00 178.44 178.89 1xn6 s GLU 65 N -2.15 0.70 -0.11 1.13 2.56 -1.19 -4.76 118.70 114.88 1xn6 s GLU 65 Ca -0.16 -0.89 0.01 0.00 0.00 0.00 0.00 54.97 53.93 1xn6 s GLU 65 Cb 0.02 -0.56 0.02 0.00 2.00 0.00 0.00 34.13 35.61 1xn6 s GLU 65 CO 0.29 0.11 -0.13 0.42 -0.56 0.00 0.00 175.26 175.39 1xn6 s ILE 66 N -1.47 1.35 -0.50 -3.70 1.01 -1.26 -2.16 121.20 114.47 1xn6 s ILE 66 Ca -0.05 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.13 1xn6 s ILE 66 Cb -0.09 -1.26 0.21 0.00 0.01 0.00 0.00 42.46 41.33 1xn6 s ILE 66 CO 0.01 0.41 0.79 0.47 0.00 0.00 0.00 174.94 176.62 1xn6 n ASP 67 N 4.34 -3.14 -0.24 3.58 8.00 -0.42 -5.00 116.55 123.66 1xn6 n ASP 67 Ca -0.18 -3.07 -0.02 0.00 0.71 0.00 0.00 54.79 52.23 1xn6 n ASP 67 Cb 0.51 1.72 0.05 0.00 -0.02 0.00 0.00 41.12 43.38 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 4.58 -0.07 -2.66 -1.24 4.81 -1.97 1.18 114.58 119.21 1xn6 h GLU 68 Ca -0.02 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.92 1xn6 h GLU 68 Cb 1.07 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1xn6 h GLU 68 CO 0.16 -0.05 1.18 -0.35 -0.73 0.00 0.00 179.01 179.22 1xn6 n PRO 69 N -5.46 2.02 0.00 0.92 -0.04 -1.26 -3.97 135.00 127.21 1xn6 n PRO 69 Ca 0.07 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1xn6 n PRO 69 Cb 0.37 -2.17 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 3.16 0.00 0.00 3.54 4.05 -0.42 -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 0.48 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.49 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 -3.72 1.20 1.44 0.40 -2.45 115.22 112.09 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 0.03 0.09 2.39 2.34 -1.25 -1.31 118.68 120.98 1xn6 s LEU 72 Ca 0.00 -0.44 0.03 0.00 0.06 0.00 0.00 54.13 53.78 1xn6 s LEU 72 Cb 0.00 2.18 -0.04 0.00 -0.56 0.00 0.00 46.19 47.78 1xn6 s LEU 72 CO 0.00 -1.05 -0.09 -0.94 -1.06 0.00 0.00 176.35 173.21 1xn6 s SER 73 N -2.86 1.30 -0.16 1.48 1.04 -0.92 -3.45 113.70 110.14 1xn6 s SER 73 Ca 0.08 -0.85 -0.23 0.00 0.48 0.00 0.00 55.95 55.43 1xn6 s SER 73 Cb -0.01 0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.21 1xn6 s SER 73 CO -0.04 -0.32 0.60 0.72 0.98 0.00 0.00 173.24 175.18 1xn6 s PHE 74 N -2.73 -0.62 0.03 5.02 -0.71 -1.20 -0.79 117.98 116.98 1xn6 s PHE 74 Ca 0.06 1.36 -0.19 0.00 -1.04 0.00 0.00 56.93 57.12 1xn6 s PHE 74 Cb -0.01 0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 42.01 1xn6 s PHE 74 CO -0.01 -0.41 0.56 -1.54 -1.34 0.00 0.00 175.22 172.48 1xn6 s SER 75 N -0.27 6.99 -0.17 1.98 1.04 -0.69 -3.18 113.70 119.40 1xn6 s SER 75 Ca -0.04 1.17 -0.07 0.00 0.48 0.00 0.00 55.95 57.49 1xn6 s SER 75 Cb -0.03 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1xn6 s SER 75 CO 0.04 0.19 0.06 0.86 0.98 0.00 0.00 173.24 175.37 1xn6 s TRP 76 N -0.64 3.26 0.97 5.02 -0.11 -1.26 -2.17 118.94 124.02 1xn6 s TRP 76 Ca 0.29 0.11 -0.16 0.00 1.22 0.00 0.00 56.10 57.56 1xn6 s TRP 76 Cb -0.19 -2.04 0.20 0.00 -1.50 0.00 0.00 33.47 29.94 1xn6 s TRP 76 CO 0.17 0.22 1.28 -0.51 -4.62 0.00 0.00 176.95 173.49 1xn6 s ASP 77 N 0.18 3.04 -0.83 5.86 1.11 -1.18 -3.77 116.67 121.07 1xn6 s ASP 77 Ca 0.04 0.37 0.00 0.00 0.18 0.00 0.00 52.55 53.15 1xn6 s ASP 77 Cb -0.12 -0.49 0.00 0.00 1.07 0.00 0.00 42.92 43.38 1xn6 s ASP 77 CO 0.00 -2.79 0.00 0.35 1.18 0.00 0.00 175.17 173.92 1xn6 n THR 78 N -3.82 -0.14 0.00 -1.27 -2.24 -1.26 -4.71 114.28 100.84 1xn6 n THR 78 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1xn6 n THR 78 Cb 0.60 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1xn6 n THR 78 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xn6 n ASP 79 N -0.55 0.00 0.30 3.42 5.68 -1.25 -4.88 116.55 119.28 1xn6 n ASP 79 Ca -0.09 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.32 1xn6 n ASP 79 Cb 0.38 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 40.99 1xn6 n ASP 79 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1xn6 h GLY 80 N 0.00 0.00 -5.92 6.12 0.00 -1.85 -3.39 103.07 98.03 1xn6 h GLY 80 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1xn6 h GLY 80 CO 0.00 0.00 1.10 0.79 0.00 0.00 0.00 176.54 178.43 1xn6 n TRP 81 N -2.68 2.26 -3.37 5.60 8.01 -1.26 -4.69 117.44 121.30 1xn6 n TRP 81 Ca -0.02 0.07 -0.25 0.00 -1.31 0.00 0.00 57.50 55.99 1xn6 n TRP 81 Cb 0.45 -2.64 -0.02 0.00 -2.01 0.00 0.00 31.31 27.10 1xn6 n TRP 81 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1xn6 s VAL 82 N 4.29 5.09 -0.06 -0.99 1.01 -0.60 -3.99 120.40 125.16 1xn6 s VAL 82 Ca 0.95 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1xn6 s VAL 82 Cb -0.74 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 31.83 1xn6 s VAL 82 CO 0.53 -0.49 -0.07 -0.69 0.00 0.00 0.00 175.10 174.38 1xn6 s VAL 83 N -2.25 0.73 -0.01 2.92 1.01 -1.19 -2.45 120.40 119.15 1xn6 s VAL 83 Ca 0.41 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1xn6 s VAL 83 Cb -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1xn6 s VAL 83 CO 0.35 0.27 -0.04 -0.55 0.00 0.00 0.00 175.10 175.13 1xn6 s SER 84 N 0.99 0.53 -0.26 3.32 0.15 0.14 -3.22 113.70 115.34 1xn6 s SER 84 Ca -0.10 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 1xn6 s SER 84 Cb -0.14 -0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1xn6 s SER 84 CO 0.00 0.03 -0.06 -0.36 1.20 0.00 0.00 173.24 174.05 1xn6 s PHE 85 N 0.12 3.16 0.37 3.44 0.08 -1.22 0.52 117.98 124.44 1xn6 s PHE 85 Ca -0.01 -1.81 -0.07 0.00 0.12 0.00 0.00 56.93 55.16 1xn6 s PHE 85 Cb -0.04 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 1xn6 s PHE 85 CO -0.00 -0.79 0.68 0.34 -0.10 0.00 0.00 175.22 175.35 1xn6 s ASP 86 N 1.26 6.44 0.01 1.36 -1.08 0.21 -3.80 116.67 121.08 1xn6 s ASP 86 Ca -0.03 0.92 0.02 0.00 -0.52 0.00 0.00 52.55 52.93 1xn6 s ASP 86 Cb -0.18 -2.23 -0.01 0.00 -1.46 0.00 0.00 42.92 39.04 1xn6 s ASP 86 CO -0.04 -0.35 -0.06 -0.76 0.52 0.00 0.00 175.17 174.49 1xn6 s LEU 87 N -3.89 2.08 -0.05 -1.34 1.02 -1.03 -2.05 118.68 113.42 1xn6 s LEU 87 Ca 0.47 -0.23 -0.01 0.00 0.02 0.00 0.00 54.13 54.38 1xn6 s LEU 87 Cb -0.10 -0.24 0.03 0.00 0.02 0.00 0.00 46.19 45.90 1xn6 s LEU 87 CO 0.33 -0.01 0.03 -0.75 0.02 0.00 0.00 176.35 175.97 1xn6 s LYS 88 N -0.55 0.21 -0.15 1.70 2.20 -0.70 -4.84 119.74 117.62 1xn6 s LYS 88 Ca -0.01 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.54 1xn6 s LYS 88 Cb -0.04 -0.66 -0.01 0.00 -1.51 0.00 0.00 37.83 35.60 1xn6 s LYS 88 CO -0.00 -0.29 1.19 0.34 -0.36 0.00 0.00 175.35 176.23 1xn6 s ASP 89 N 1.91 7.02 -0.13 1.43 2.15 -1.26 -0.57 116.67 127.21 1xn6 s ASP 89 Ca 0.03 1.65 -0.02 0.00 0.43 0.00 0.00 52.55 54.63 1xn6 s ASP 89 Cb -0.12 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 39.88 1xn6 s ASP 89 CO -0.04 -0.68 -0.14 0.18 -0.17 0.00 0.00 175.17 174.32 1xn6 n LEU 90 N 6.13 2.28 0.00 -1.34 4.77 -1.17 -4.94 117.00 122.72 1xn6 n LEU 90 Ca 0.13 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1xn6 n LEU 90 Cb 0.46 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1xn6 n LEU 90 CO 0.55 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 1xn6 n GLY 91 N 2.62 -0.82 2.36 -0.72 0.00 -0.84 -4.94 105.19 102.83 1xn6 n GLY 91 Ca -0.24 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 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 -3.68 -1.55 1.61 8.00 -1.26 0.19 116.55 119.86 1xn6 n ASP 92 Ca 0.00 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.59 1xn6 n ASP 92 Cb 0.00 -3.19 -0.00 0.00 -0.02 0.00 0.00 41.12 37.91 1xn6 n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xn6 n ASN 93 N -1.56 -4.09 -4.31 -2.24 5.15 -1.26 -4.93 115.26 102.03 1xn6 n ASN 93 Ca -0.14 -0.04 -0.25 0.00 -0.60 0.00 0.00 54.58 53.56 1xn6 n ASN 93 Cb 0.57 -3.23 -0.13 0.00 -0.53 0.00 0.00 39.78 36.46 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xn6 s LYS 94 N -4.74 1.17 -0.01 1.20 1.02 0.50 0.11 119.74 119.00 1xn6 s LYS 94 Ca 0.03 -1.20 -0.05 0.00 0.02 0.00 0.00 55.97 54.78 1xn6 s LYS 94 Cb -0.01 -1.48 -0.00 0.00 -0.52 0.00 0.00 37.83 35.81 1xn6 s LYS 94 CO 0.04 0.35 0.09 0.99 -0.92 0.00 0.00 175.35 175.89 1xn6 s THR 95 N -1.15 0.07 -0.53 2.17 2.01 -0.48 -1.99 115.64 115.73 1xn6 s THR 95 Ca 0.08 -0.54 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 1xn6 s THR 95 Cb -0.10 -0.31 0.11 0.00 0.01 0.00 0.00 72.50 72.21 1xn6 s THR 95 CO 0.05 -0.30 0.50 -0.70 -0.69 0.00 0.00 174.62 173.48 1xn6 s GLU 96 N -0.99 3.00 -0.15 4.92 2.12 0.26 -1.14 118.70 126.72 1xn6 s GLU 96 Ca -0.11 -1.55 -0.23 0.00 0.36 0.00 0.00 54.97 53.44 1xn6 s GLU 96 Cb -0.06 -4.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.05 1xn6 s GLU 96 CO 0.01 -1.28 0.70 0.12 -0.54 0.00 0.00 175.26 174.27 1xn6 s PHE 97 N 1.77 3.44 -0.27 5.30 5.36 0.29 -1.73 117.98 132.14 1xn6 s PHE 97 Ca 0.05 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.13 1xn6 s PHE 97 Cb -0.28 -2.86 0.08 0.00 -0.34 0.00 0.00 43.02 39.62 1xn6 s PHE 97 CO 0.05 -0.12 0.02 0.99 -1.46 0.00 0.00 175.22 174.69 1xn6 s THR 98 N 1.67 1.33 -0.03 0.12 2.01 -0.87 0.91 115.64 120.78 1xn6 s THR 98 Ca 0.34 -1.36 -0.20 0.00 0.31 0.00 0.00 61.69 60.78 1xn6 s THR 98 Cb -0.16 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1xn6 s THR 98 CO 0.13 -0.36 0.56 -0.22 -0.69 0.00 0.00 174.62 174.04 1xn6 s LEU 99 N 1.44 4.38 -0.10 4.42 2.96 -0.13 0.67 118.68 132.32 1xn6 s LEU 99 Ca 0.02 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 1xn6 s LEU 99 Cb -0.18 -2.85 0.02 0.00 0.50 0.00 0.00 46.19 43.68 1xn6 s LEU 99 CO -0.12 0.09 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.27 1xn6 s ILE 100 N -0.03 1.09 -0.22 6.68 1.09 0.18 0.68 121.20 130.68 1xn6 s ILE 100 Ca 0.30 -0.37 -0.02 0.00 -1.10 0.00 0.00 60.65 59.46 1xn6 s ILE 100 Cb -0.17 -1.07 0.06 0.00 -1.06 0.00 0.00 42.46 40.22 1xn6 s ILE 100 CO 0.15 0.37 0.02 -2.28 -0.10 0.00 0.00 174.94 173.10 1xn6 s HIS 101 N 1.38 1.45 0.00 3.97 5.65 -0.68 0.28 115.29 127.34 1xn6 s HIS 101 Ca -0.01 -1.18 0.00 0.00 0.25 0.00 0.00 55.06 54.12 1xn6 s HIS 101 Cb -0.14 -1.24 0.00 0.00 -1.18 0.00 0.00 32.58 30.02 1xn6 s HIS 101 CO -0.05 -0.68 0.00 0.41 -0.65 0.00 0.00 174.74 173.77 1xn6 n GLY 102 N 4.93 5.91 0.00 1.59 0.00 -1.02 -1.57 105.19 115.03 1xn6 n GLY 102 Ca -0.09 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 1.91 3.94 -0.02 0.00 -1.26 -1.55 105.19 113.20 1xn6 n GLY 103 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.35 2.28 0.06 1.61 0.52 -1.26 -4.82 118.94 116.98 1xn6 s TRP 104 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 56.10 56.41 1xn6 s TRP 104 Cb 0.00 -3.44 0.00 0.00 -1.15 0.00 0.00 33.47 28.88 1xn6 s TRP 104 CO 0.00 -1.85 0.00 1.63 0.02 0.00 0.00 176.95 176.75 1xn6 n LYS 105 N -3.18 0.00 -4.17 4.98 5.02 -1.26 -4.93 118.16 114.63 1xn6 n LYS 105 Ca 0.11 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.05 1xn6 n LYS 105 Cb 0.60 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.53 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1xn6 s HIS 106 N -1.19 3.31 -1.72 2.13 2.46 -1.26 0.32 115.29 119.35 1xn6 s HIS 106 Ca 0.00 0.29 0.23 0.00 0.47 0.00 0.00 55.06 56.05 1xn6 s HIS 106 Cb 0.00 -1.82 1.29 0.00 -0.13 0.00 0.00 32.58 31.92 1xn6 s HIS 106 CO 0.00 0.56 1.77 -0.35 -2.47 0.00 0.00 174.74 174.25 1xn6 n PRO 107 N 1.86 0.54 -0.09 2.88 -0.04 -1.26 -2.80 135.00 136.08 1xn6 n PRO 107 Ca -0.18 0.04 -0.19 0.00 -0.04 0.00 0.00 63.50 63.13 1xn6 n PRO 107 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 1xn6 n PRO 107 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xn6 n ASP 108 N -1.14 2.02 -4.54 3.54 2.03 -1.26 -4.52 116.55 112.67 1xn6 n ASP 108 Ca 0.14 -0.03 -0.29 0.00 0.52 0.00 0.00 54.79 55.14 1xn6 n ASP 108 Cb 0.13 -0.55 0.23 0.00 -0.72 0.00 0.00 41.12 40.21 1xn6 n ASP 108 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xn6 s GLU 109 N -2.53 -0.39 -0.03 -0.67 -1.05 -1.12 -4.89 118.70 108.02 1xn6 s GLU 109 Ca -0.31 1.03 0.00 0.00 -0.15 0.00 0.00 54.97 55.54 1xn6 s GLU 109 Cb 0.08 -1.60 0.03 0.00 -0.44 0.00 0.00 34.13 32.20 1xn6 s GLU 109 CO 0.65 -3.42 0.00 0.42 0.95 0.00 0.00 175.26 173.86 1xn6 s ILE 110 N -2.52 0.15 0.38 1.83 -1.09 -1.26 -3.94 121.20 114.75 1xn6 s ILE 110 Ca 0.68 0.09 -0.24 0.00 -2.23 0.00 0.00 60.65 58.95 1xn6 s ILE 110 Cb -0.24 -0.24 -0.10 0.00 -1.58 0.00 0.00 42.46 40.30 1xn6 s ILE 110 CO 0.63 0.13 0.97 -0.22 -1.23 0.00 0.00 174.94 175.22 1xn6 s LEU 111 N 0.96 4.16 0.92 2.97 2.96 -1.26 -4.93 118.68 124.46 1xn6 s LEU 111 Ca -0.10 1.84 -0.13 0.00 -0.22 0.00 0.00 54.13 55.53 1xn6 s LEU 111 Cb -0.13 -4.23 0.15 0.00 0.50 0.00 0.00 46.19 42.48 1xn6 s LEU 111 CO -0.02 -0.28 1.14 -2.16 -1.32 0.00 0.00 176.35 173.72 1xn6 s PRO 112 N -2.53 1.04 0.00 0.98 0.04 -1.26 0.22 135.00 133.49 1xn6 s PRO 112 Ca 0.56 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1xn6 s PRO 112 Cb -0.16 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1xn6 s PRO 112 CO 0.21 -2.26 0.00 1.63 0.04 0.00 0.00 177.00 176.62 1xn6 n LYS 113 N -3.80 0.00 -0.04 4.56 5.02 -1.26 -3.77 118.16 118.87 1xn6 n LYS 113 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 1xn6 n LYS 113 Cb 0.59 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.49 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 0.00 -0.01 -2.88 7.82 0.00 -1.90 -3.50 119.26 118.79 1xn6 h ALA 114 Ca 0.00 -0.36 0.35 0.00 0.00 0.00 0.00 54.91 54.89 1xn6 h ALA 114 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 1xn6 h ALA 114 CO 0.00 -0.14 -0.52 0.09 0.00 0.00 0.00 179.25 178.68 1xn6 n ASN 115 N -4.74 -7.63 0.00 0.00 4.13 0.13 -5.04 115.26 102.11 1xn6 n ASN 115 Ca -0.09 0.58 0.00 0.00 1.68 0.00 0.00 54.58 56.75 1xn6 n ASN 115 Cb 0.36 -3.92 0.00 0.00 -1.54 0.00 0.00 39.78 34.67 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 -2.32 -0.10 -1.62 5.41 0.00 -1.26 -4.79 120.51 115.83 1xn6 n ALA 116 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.96 1xn6 n ALA 116 Cb 0.59 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 1xn6 n ALA 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xn6 n LYS 117 N -1.46 1.50 0.18 0.00 5.02 -1.26 -4.43 118.16 117.71 1xn6 n LYS 117 Ca 0.00 0.54 0.03 0.00 -2.02 0.00 0.00 58.31 56.86 1xn6 n LYS 117 Cb 0.00 -2.16 0.39 0.00 -0.02 0.00 0.00 35.03 33.24 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 4.38 0.06 -0.34 4.39 4.64 -1.80 -2.18 113.55 122.71 1xn6 h SER 118 Ca -0.45 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 1xn6 h SER 118 Cb 1.31 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1xn6 h SER 118 CO 0.77 0.35 -0.04 0.77 -0.87 0.00 0.00 176.83 177.81 1xn6 h SER 119 N 0.06 0.62 -0.48 4.97 4.64 -1.88 0.63 113.55 122.10 1xn6 h SER 119 Ca 0.01 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1xn6 h SER 119 Cb 0.53 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1xn6 h SER 119 CO 0.04 0.81 0.30 0.40 -0.87 0.00 0.00 176.83 177.51 1xn6 h ILE 120 N 0.41 1.14 -0.16 0.95 2.04 -1.84 0.39 117.51 120.44 1xn6 h ILE 120 Ca 0.09 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1xn6 h ILE 120 Cb 0.52 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1xn6 h ILE 120 CO 0.03 0.14 -0.05 0.40 0.00 0.00 0.00 178.15 178.67 1xn6 h ILE 121 N 0.65 1.29 -0.84 -0.67 1.08 -1.25 -1.50 117.51 116.26 1xn6 h ILE 121 Ca 0.17 -1.02 0.15 0.00 -0.39 0.00 0.00 64.86 63.77 1xn6 h ILE 121 Cb -0.04 1.64 -0.10 0.00 -3.07 0.00 0.00 36.82 35.26 1xn6 h ILE 121 CO -0.03 0.30 0.42 -0.09 -0.69 0.00 0.00 178.15 178.06 1xn6 h ARG 122 N 0.01 0.56 0.33 2.37 2.43 0.61 1.12 114.38 121.82 1xn6 h ARG 122 Ca 0.04 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1xn6 h ARG 122 Cb 0.49 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1xn6 h ARG 122 CO 0.02 0.37 -0.16 0.22 -1.51 0.00 0.00 179.97 178.91 1xn6 h ASP 123 N 0.58 -0.37 -0.22 -3.80 1.82 -0.76 0.50 116.42 114.16 1xn6 h ASP 123 Ca 0.47 -0.13 0.04 0.00 -0.39 0.00 0.00 57.03 57.02 1xn6 h ASP 123 Cb 0.69 0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.75 1xn6 h ASP 123 CO -0.38 -0.06 -0.05 0.03 -1.61 0.00 0.00 179.24 177.16 1xn6 h ARG 124 N -0.70 0.00 0.28 0.28 3.08 -0.23 0.35 114.38 117.46 1xn6 h ARG 124 Ca -0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1xn6 h ARG 124 Cb 0.48 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1xn6 h ARG 124 CO 0.07 0.00 -0.14 0.52 -1.07 0.00 0.00 179.97 179.36 1xn6 h MET 125 N 0.00 -0.37 -0.34 0.04 2.86 0.13 -1.94 114.93 115.31 1xn6 h MET 125 Ca 0.11 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1xn6 h MET 125 Cb 0.16 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 1xn6 h MET 125 CO -0.23 -0.22 -0.07 1.03 1.06 0.00 0.00 176.91 178.48 1xn6 h SER 126 N -0.42 -0.29 -0.03 1.22 0.87 0.31 0.11 113.55 115.31 1xn6 h SER 126 Ca -0.04 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1xn6 h SER 126 Cb 0.32 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.43 1xn6 h SER 126 CO 0.06 -0.10 -0.53 1.23 -0.53 0.00 0.00 176.83 176.96 1xn6 h GLY 127 N 0.01 -1.13 1.46 5.77 0.00 -0.13 0.93 103.07 109.99 1xn6 h GLY 127 Ca 0.16 0.67 0.08 0.00 0.00 0.00 0.00 47.33 48.24 1xn6 h GLY 127 CO -0.34 -0.23 0.20 -1.33 0.00 0.00 0.00 176.54 174.83 1xn6 h GLY 128 N -0.65 0.00 0.91 4.60 0.00 -0.95 0.56 103.07 107.54 1xn6 h GLY 128 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 1xn6 h GLY 128 CO -0.37 0.00 -0.42 1.49 0.00 0.00 0.00 176.54 177.24 1xn6 h TRP 129 N 0.00 0.74 -0.70 5.60 -0.00 0.16 0.79 115.95 122.54 1xn6 h TRP 129 Ca 0.13 -0.29 0.00 0.00 -0.00 0.00 0.00 58.89 58.73 1xn6 h TRP 129 Cb 0.51 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.16 29.51 1xn6 h TRP 129 CO 0.00 1.04 0.46 0.28 -0.00 0.00 0.00 178.44 180.22 1xn6 h VAL 130 N 0.23 1.19 0.07 1.49 2.07 0.28 1.15 116.25 122.71 1xn6 h VAL 130 Ca -0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1xn6 h VAL 130 Cb 1.03 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1xn6 h VAL 130 CO 0.09 0.18 -0.03 0.00 0.02 0.00 0.00 177.57 177.83 1xn6 h ALA 131 N 1.25 -0.09 -0.80 1.67 0.00 -0.92 -1.67 119.26 118.70 1xn6 h ALA 131 Ca 0.26 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1xn6 h ALA 131 Cb -0.09 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1xn6 h ALA 131 CO -0.05 -0.24 0.52 0.82 0.00 0.00 0.00 179.25 180.29 1xn6 h ILE 132 N -0.71 0.93 -0.22 0.00 2.04 0.79 0.88 117.51 121.23 1xn6 h ILE 132 Ca -0.01 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 1xn6 h ILE 132 Cb 0.58 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1xn6 h ILE 132 CO 0.02 0.13 -0.31 0.58 0.00 0.00 0.00 178.15 178.57 1xn6 h VAL 133 N 0.71 1.28 -0.89 1.67 2.07 0.14 -1.98 116.25 119.25 1xn6 h VAL 133 Ca 0.37 -1.36 -0.59 0.00 0.82 0.00 0.00 66.70 65.94 1xn6 h VAL 133 Cb 0.48 1.45 -0.39 0.00 -1.52 0.00 0.00 31.29 31.31 1xn6 h VAL 133 CO -0.14 0.43 -0.29 0.59 0.02 0.00 0.00 177.57 178.18 1xn6 n ASN 134 N -4.09 5.77 0.07 0.57 3.02 0.81 -3.19 115.26 118.23 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 0.44 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.75 0.00 -0.04 3.52 -0.58 0.27 -4.89 120.64 118.16 1xn6 n GLU 135 Ca 0.49 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 57.20 1xn6 n GLU 135 Cb 0.85 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.71 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 -2.97 0.28 -0.34 3.49 5.02 -0.78 -3.54 118.16 119.32 1xn6 n LYS 136 Ca 0.00 0.34 0.12 0.00 -2.02 0.00 0.00 58.31 56.75 1xn6 n LYS 136 Cb 0.00 -1.24 0.24 0.00 -0.02 0.00 0.00 35.03 34.01 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 -3.64 -0.19 0.22 -0.35 -0.00 -1.01 0.20 117.00 112.23 1xn6 n LEU 137 Ca -0.05 1.66 -0.16 0.00 -0.00 0.00 0.00 56.01 57.46 1xn6 n LEU 137 Cb 0.19 -0.57 -0.08 0.00 -0.00 0.00 0.00 43.42 42.96 1xn6 n LEU 137 CO 0.08 -1.65 0.62 0.50 -0.00 0.00 0.00 177.39 176.94 1xn6 h LYS 138 N 0.00 -0.73 -0.27 1.96 1.63 -1.75 0.55 116.57 117.96 1xn6 h LYS 138 Ca 0.55 0.05 0.01 0.00 -0.85 0.00 0.00 60.65 60.40 1xn6 h LYS 138 Cb 1.05 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1xn6 h LYS 138 CO -0.94 -0.48 0.18 0.87 -3.45 0.00 0.00 179.45 175.62 1xn6 h LYS 139 N -0.75 0.34 0.41 1.90 1.57 0.39 1.53 116.57 121.96 1xn6 h LYS 139 Ca -0.02 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1xn6 h LYS 139 Cb 0.68 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1xn6 h LYS 139 CO -0.07 0.23 -0.20 0.28 -0.57 0.00 0.00 179.45 179.11 1xn6 h VAL 140 N 0.35 0.58 0.37 0.50 2.07 0.37 1.25 116.25 121.74 1xn6 h VAL 140 Ca 0.10 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1xn6 h VAL 140 Cb -0.02 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1xn6 h VAL 140 CO -0.02 0.06 -0.18 0.58 0.02 0.00 0.00 177.57 178.02 1xn6 h VAL 141 N -0.73 0.40 -0.60 2.57 2.07 0.62 -3.10 116.25 117.48 1xn6 h VAL 141 Ca -0.06 -0.68 0.13 0.00 0.82 0.00 0.00 66.70 66.92 1xn6 h VAL 141 Cb 0.52 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1xn6 h VAL 141 CO 0.09 0.09 0.41 -0.08 0.02 0.00 0.00 177.57 178.10 1xn6 h GLU 142 N -0.99 0.22 0.00 1.57 4.81 0.21 -3.48 114.58 116.91 1xn6 h GLU 142 Ca -0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1xn6 h GLU 142 Cb 0.52 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1xn6 h GLU 142 CO 0.08 0.14 0.00 0.41 -0.73 0.00 0.00 179.01 178.92