#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se9 n ALA 2 N 0.00 -1.28 -3.81 0.62 0.00 -1.26 -4.96 120.51 109.83 1se9 n ALA 2 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 1se9 n ALA 2 Cb 0.00 -5.11 -0.15 0.00 0.00 0.00 0.00 19.45 14.19 1se9 n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1se9 s GLU 3 N -6.37 0.98 -0.01 0.00 2.12 -1.26 -4.66 118.70 109.48 1se9 s GLU 3 Ca 0.60 -1.02 0.08 0.00 0.36 0.00 0.00 54.97 54.98 1se9 s GLU 3 Cb -0.28 -2.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.83 1se9 s GLU 3 CO 0.74 -0.84 -0.24 0.08 -0.54 0.00 0.00 175.26 174.46 1se9 s VAL 4 N 1.54 1.93 -1.83 3.70 1.01 -1.26 -5.01 120.40 120.47 1se9 s VAL 4 Ca 0.05 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1se9 s VAL 4 Cb -0.18 -1.60 0.20 0.00 0.00 0.00 0.00 36.38 34.80 1se9 s VAL 4 CO -0.16 0.53 1.12 1.57 0.00 0.00 0.00 175.10 178.16 1se9 n HIS 5 N 2.43 0.34 0.10 5.22 -0.00 -1.26 -2.49 115.22 119.56 1se9 n HIS 5 Ca -0.16 -0.16 0.03 0.00 0.46 0.00 0.00 57.72 57.90 1se9 n HIS 5 Cb 0.52 -0.03 -0.01 0.00 -0.12 0.00 0.00 29.99 30.35 1se9 n HIS 5 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 1se9 h ASN 6 N 1.28 0.00 -4.85 0.26 -0.00 -1.95 -3.43 115.58 106.90 1se9 h ASN 6 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.30 55.91 1se9 h ASN 6 Cb 0.38 0.00 0.09 0.00 -0.00 0.00 0.00 38.32 38.79 1se9 h ASN 6 CO 0.02 0.43 0.16 0.00 -0.00 0.00 0.00 177.43 178.04 1se9 n GLN 7 N -3.03 -0.25 -3.42 6.67 3.00 -1.04 -4.80 117.38 114.51 1se9 n GLN 7 Ca -0.02 -2.20 -0.39 0.00 -0.01 0.00 0.00 57.00 54.39 1se9 n GLN 7 Cb 0.74 -0.70 -0.09 0.00 0.00 0.00 0.00 30.24 30.19 1se9 n GLN 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1se9 s LEU 8 N 0.00 4.06 -0.07 1.08 1.02 -0.37 -4.37 118.68 120.04 1se9 s LEU 8 Ca 0.58 0.30 -0.18 0.00 0.02 0.00 0.00 54.13 54.85 1se9 s LEU 8 Cb -0.03 -2.40 -0.05 0.00 0.02 0.00 0.00 46.19 43.73 1se9 s LEU 8 CO 0.39 -0.14 0.49 -1.61 0.02 0.00 0.00 176.35 175.50 1se9 s GLU 9 N 1.86 4.25 -0.01 1.70 2.02 -1.26 0.32 118.70 127.59 1se9 s GLU 9 Ca 0.15 0.51 0.05 0.00 0.02 0.00 0.00 54.97 55.70 1se9 s GLU 9 Cb -0.15 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.69 1se9 s GLU 9 CO 0.09 0.32 -0.15 0.42 0.02 0.00 0.00 175.26 175.96 1se9 s ILE 10 N 0.08 1.21 0.15 -1.63 1.01 0.25 -0.30 121.20 121.97 1se9 s ILE 10 Ca 0.27 -0.70 0.10 0.00 0.00 0.00 0.00 60.65 60.31 1se9 s ILE 10 Cb -0.16 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1se9 s ILE 10 CO 0.13 0.31 -0.18 -1.59 0.00 0.00 0.00 174.94 173.60 1se9 s LYS 11 N -0.45 1.75 -0.29 2.79 -2.85 0.13 -0.62 119.74 120.19 1se9 s LYS 11 Ca 0.06 -1.29 -0.10 0.00 -1.00 0.00 0.00 55.97 53.64 1se9 s LYS 11 Cb -0.06 -2.05 -0.03 0.00 -2.06 0.00 0.00 37.83 33.63 1se9 s LYS 11 CO -0.00 0.45 0.16 -0.06 0.10 0.00 0.00 175.35 176.00 1se9 s PHE 12 N -1.36 3.18 -0.23 1.78 0.08 -1.21 -1.51 117.98 118.71 1se9 s PHE 12 Ca 0.20 -0.25 -0.00 0.00 0.12 0.00 0.00 56.93 57.00 1se9 s PHE 12 Cb -0.10 -2.36 0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1se9 s PHE 12 CO 0.11 -0.32 -0.10 0.50 -0.10 0.00 0.00 175.22 175.30 1se9 s ARG 13 N 1.68 2.81 0.49 0.44 3.52 0.20 0.21 118.95 128.30 1se9 s ARG 13 Ca 0.06 -0.98 -0.19 0.00 -0.13 0.00 0.00 55.73 54.50 1se9 s ARG 13 Cb -0.16 -2.86 -0.09 0.00 -1.56 0.00 0.00 34.95 30.28 1se9 s ARG 13 CO 0.08 -0.37 0.99 -0.51 -0.81 0.00 0.00 175.30 174.68 1se9 s LEU 14 N 1.29 3.76 0.42 -0.88 1.02 0.14 -0.46 118.68 123.97 1se9 s LEU 14 Ca 0.00 1.70 0.29 0.00 0.02 0.00 0.00 54.13 56.14 1se9 s LEU 14 Cb -0.16 -4.53 1.42 0.00 0.02 0.00 0.00 46.19 42.94 1se9 s LEU 14 CO -0.07 -0.60 1.89 0.71 0.02 0.00 0.00 176.35 178.30 1se9 h THR 15 N 1.32 0.00 -0.00 5.49 1.35 -1.81 -1.57 112.91 117.69 1se9 h THR 15 Ca -0.48 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1se9 h THR 15 Cb 1.19 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1se9 h THR 15 CO 0.60 0.00 -0.00 0.47 -0.25 0.00 0.00 175.52 176.34 1se9 n ASP 16 N -2.58 0.00 0.00 5.36 9.92 -1.26 -4.86 116.55 123.12 1se9 n ASP 16 Ca -0.00 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.60 1se9 n ASP 16 Cb 0.15 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1se9 n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1se9 n GLY 17 N 1.11 0.82 3.63 0.44 0.00 -0.59 -5.05 105.19 105.56 1se9 n GLY 17 Ca 0.20 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1se9 n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1se9 s SER 18 N -2.04 5.91 0.20 1.61 0.01 -1.23 -4.94 113.70 113.22 1se9 s SER 18 Ca 0.00 0.07 0.10 0.00 1.31 0.00 0.00 55.95 57.43 1se9 s SER 18 Cb 0.00 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 1se9 s SER 18 CO 0.00 0.08 -0.21 1.51 0.41 0.00 0.00 173.24 175.03 1se9 s ASP 19 N 0.97 3.15 -0.08 2.44 -4.77 -1.26 0.24 116.67 117.37 1se9 s ASP 19 Ca 0.06 -0.91 -0.02 0.00 -3.30 0.00 0.00 52.55 48.39 1se9 s ASP 19 Cb -0.13 -0.22 -0.03 0.00 -1.09 0.00 0.00 42.92 41.44 1se9 s ASP 19 CO 0.04 0.03 0.01 -0.63 0.70 0.00 0.00 175.17 175.32 1se9 s ILE 20 N -2.04 4.34 0.43 2.11 1.01 0.13 -4.98 121.20 122.20 1se9 s ILE 20 Ca 0.21 -0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 1se9 s ILE 20 Cb -0.06 -2.84 -0.10 0.00 0.01 0.00 0.00 42.46 39.47 1se9 s ILE 20 CO 0.09 0.58 0.98 0.61 0.00 0.00 0.00 174.94 177.21 1se9 n GLY 21 N 2.05 -0.28 3.76 6.18 0.00 -1.26 -3.29 105.19 112.35 1se9 n GLY 21 Ca -0.18 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1se9 n GLY 21 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1se9 s PRO 22 N -2.02 3.62 0.33 1.61 0.02 -1.26 -4.69 135.00 132.61 1se9 s PRO 22 Ca 0.64 1.93 0.08 0.00 0.02 0.00 0.00 61.00 63.66 1se9 s PRO 22 Cb -0.55 -2.40 -0.06 0.00 0.02 0.00 0.00 34.50 31.50 1se9 s PRO 22 CO 0.56 -0.71 -0.06 0.15 -0.33 0.00 0.00 177.00 176.61 1se9 s LYS 23 N -2.70 1.73 -0.25 5.54 -0.14 0.21 -4.88 119.74 119.23 1se9 s LYS 23 Ca 0.65 -1.90 -0.10 0.00 -1.36 0.00 0.00 55.97 53.26 1se9 s LYS 23 Cb -0.32 -1.45 -0.05 0.00 -1.68 0.00 0.00 37.83 34.33 1se9 s LYS 23 CO 0.39 0.06 0.15 0.00 -0.76 0.00 0.00 175.35 175.19 1se9 s ALA 24 N -2.81 3.48 -0.19 5.17 0.00 -1.26 -0.58 121.76 125.57 1se9 s ALA 24 Ca 0.32 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1se9 s ALA 24 Cb 0.04 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.88 1se9 s ALA 24 CO 0.15 -0.36 -0.15 -0.06 0.00 0.00 0.00 175.76 175.33 1se9 s PHE 25 N 1.39 2.61 0.63 0.00 0.40 0.15 -4.93 117.98 118.23 1se9 s PHE 25 Ca 0.07 -1.61 -0.19 0.00 -0.60 0.00 0.00 56.93 54.60 1se9 s PHE 25 Cb -0.15 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 1se9 s PHE 25 CO 0.07 -0.77 1.29 -2.30 0.70 0.00 0.00 175.22 174.21 1se9 n PRO 26 N 4.65 1.23 0.04 0.24 -0.02 -1.26 -1.23 135.00 138.65 1se9 n PRO 26 Ca -0.18 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 1se9 n PRO 26 Cb 0.48 -2.53 0.60 0.00 -0.02 0.00 0.00 33.50 32.04 1se9 n PRO 26 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1se9 h ASP 27 N 0.72 0.14 -0.01 2.55 2.03 -1.95 -0.17 116.42 119.73 1se9 h ASP 27 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1se9 h ASP 27 Cb 1.33 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1se9 h ASP 27 CO 0.54 0.09 0.00 0.00 -1.03 0.00 0.00 179.24 178.84 1se9 n ALA 28 N -2.57 2.66 -2.05 4.15 0.00 -1.26 -0.50 120.51 120.93 1se9 n ALA 28 Ca 0.06 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1se9 n ALA 28 Cb 0.37 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1se9 n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1se9 s THR 29 N -1.99 4.33 0.64 0.00 2.01 -0.08 -4.86 115.64 115.68 1se9 s THR 29 Ca 0.42 2.07 -0.09 0.00 0.31 0.00 0.00 61.69 64.40 1se9 s THR 29 Cb 0.20 -4.32 -0.00 0.00 0.01 0.00 0.00 72.50 68.38 1se9 s THR 29 CO 0.33 0.39 1.00 0.42 -0.69 0.00 0.00 174.62 176.07 1se9 s THR 30 N -0.50 3.87 0.34 -0.82 -4.23 -1.26 -1.01 115.64 112.02 1se9 s THR 30 Ca 0.44 0.38 0.22 0.00 -1.18 0.00 0.00 61.69 61.55 1se9 s THR 30 Cb -0.24 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.24 1se9 s THR 30 CO 0.31 -0.69 1.93 0.58 -0.54 0.00 0.00 174.62 176.21 1se9 h VAL 31 N -0.38 0.80 -0.20 2.29 2.07 -0.53 0.13 116.25 120.43 1se9 h VAL 31 Ca -0.45 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1se9 h VAL 31 Cb 1.24 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1se9 h VAL 31 CO 0.62 0.22 0.02 -1.28 0.02 0.00 0.00 177.57 177.17 1se9 h SER 32 N 0.00 0.34 0.69 0.57 0.87 -0.86 0.45 113.55 115.61 1se9 h SER 32 Ca -0.00 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.21 1se9 h SER 32 Cb 0.53 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1se9 h SER 32 CO 0.03 0.54 -0.28 0.00 -0.53 0.00 0.00 176.83 176.59 1se9 h ALA 33 N 0.81 1.12 -0.13 6.23 0.00 -1.66 0.19 119.26 125.82 1se9 h ALA 33 Ca 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1se9 h ALA 33 Cb 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1se9 h ALA 33 CO 0.01 0.35 0.03 1.25 0.00 0.00 0.00 179.25 180.88 1se9 h LEU 34 N 0.00 0.21 -0.34 0.00 5.85 -0.43 0.16 115.31 120.76 1se9 h LEU 34 Ca -0.00 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1se9 h LEU 34 Cb 0.70 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1se9 h LEU 34 CO 0.04 0.40 0.18 0.11 -0.34 0.00 0.00 178.44 178.83 1se9 h LYS 35 N 0.00 0.37 -0.79 1.25 1.57 -0.27 -2.46 116.57 116.24 1se9 h LYS 35 Ca 0.04 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1se9 h LYS 35 Cb 0.28 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1se9 h LYS 35 CO 0.00 0.24 0.52 0.93 -0.57 0.00 0.00 179.45 180.57 1se9 h GLU 36 N 0.38 0.77 -0.73 3.15 4.39 -0.39 0.25 114.58 122.39 1se9 h GLU 36 Ca 0.14 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1se9 h GLU 36 Cb 0.03 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1se9 h GLU 36 CO -0.08 0.51 0.31 1.15 -1.16 0.00 0.00 179.01 179.73 1se9 h THR 37 N 0.79 1.25 -0.09 1.13 2.02 -0.23 0.19 112.91 117.96 1se9 h THR 37 Ca 0.35 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1se9 h THR 37 Cb 0.34 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1se9 h THR 37 CO -0.13 0.31 0.06 0.58 0.37 0.00 0.00 175.52 176.71 1se9 h VAL 38 N 1.04 1.04 -0.42 3.16 2.07 -0.66 -1.32 116.25 121.16 1se9 h VAL 38 Ca 0.25 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1se9 h VAL 38 Cb 0.19 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1se9 h VAL 38 CO -0.02 0.04 0.28 0.40 0.02 0.00 0.00 177.57 178.29 1se9 h ILE 39 N 0.10 1.00 -0.07 4.57 1.08 -0.55 0.25 117.51 123.89 1se9 h ILE 39 Ca 0.03 -0.14 -0.21 0.00 -0.39 0.00 0.00 64.86 64.16 1se9 h ILE 39 Cb 0.01 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1se9 h ILE 39 CO -0.01 0.07 -0.81 0.28 -0.69 0.00 0.00 178.15 176.99 1se9 h SER 40 N 0.40 0.63 0.80 1.72 0.02 -0.08 -3.29 113.55 113.75 1se9 h SER 40 Ca 0.17 -0.44 -0.22 0.00 -0.84 0.00 0.00 61.79 60.47 1se9 h SER 40 Cb 0.19 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1se9 h SER 40 CO -0.04 1.21 -1.31 -0.33 -1.14 0.00 0.00 176.83 175.22 1se9 h GLU 41 N 0.33 0.00 -6.70 3.45 4.39 -0.39 -3.46 114.58 112.20 1se9 h GLU 41 Ca -0.05 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.14 1se9 h GLU 41 Cb 1.42 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1se9 h GLU 41 CO 0.15 0.56 0.42 -0.46 -1.16 0.00 0.00 179.01 178.51 1se9 s TRP 42 N -2.76 3.74 -0.00 4.33 -0.11 0.81 -4.97 118.94 119.99 1se9 s TRP 42 Ca -0.02 1.75 -0.30 0.00 1.22 0.00 0.00 56.10 58.75 1se9 s TRP 42 Cb 0.09 -3.16 -0.08 0.00 -1.50 0.00 0.00 33.47 28.82 1se9 s TRP 42 CO 0.81 -0.15 1.91 -2.14 -4.62 0.00 0.00 176.95 172.76 1se9 s PRO 43 N -0.79 4.09 0.44 5.86 0.02 -1.26 -4.86 135.00 138.50 1se9 s PRO 43 Ca 0.45 2.47 0.24 0.00 0.02 0.00 0.00 61.00 64.19 1se9 s PRO 43 Cb -0.28 -4.13 0.83 0.00 0.02 0.00 0.00 34.50 30.94 1se9 s PRO 43 CO 0.35 -1.00 1.78 0.00 -0.33 0.00 0.00 177.00 177.80 1se9 h ARG 44 N 10.61 0.00 -0.07 5.54 3.08 -1.93 -2.61 114.38 129.01 1se9 h ARG 44 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1se9 h ARG 44 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1se9 h ARG 44 CO 0.95 0.21 0.00 -1.91 -1.07 0.00 0.00 179.97 178.15 1se9 n GLU 45 N -3.32 1.37 -1.42 0.04 4.07 -1.26 -4.90 120.64 115.23 1se9 n GLU 45 Ca 0.01 -0.55 -0.31 0.00 -0.06 0.00 0.00 57.16 56.25 1se9 n GLU 45 Cb 0.46 -1.38 0.07 0.00 -0.06 0.00 0.00 31.44 30.53 1se9 n GLU 45 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1se9 s LYS 46 N -1.92 2.57 1.40 5.31 2.20 -0.99 -5.04 119.74 123.27 1se9 s LYS 46 Ca 0.33 1.04 -0.21 0.00 -0.36 0.00 0.00 55.97 56.77 1se9 s LYS 46 Cb 0.17 -1.94 0.36 0.00 -1.51 0.00 0.00 37.83 34.91 1se9 s LYS 46 CO 0.27 -1.39 0.93 -2.00 -0.36 0.00 0.00 175.35 172.80 1se9 s GLU 47 N -4.98 -2.75 -0.20 4.03 2.12 -1.26 -4.77 118.70 110.89 1se9 s GLU 47 Ca 0.60 0.28 -0.27 0.00 0.36 0.00 0.00 54.97 55.94 1se9 s GLU 47 Cb -0.16 -1.39 -0.30 0.00 0.26 0.00 0.00 34.13 32.54 1se9 s GLU 47 CO 0.56 -4.79 1.65 0.09 -0.54 0.00 0.00 175.26 172.22 1se9 n ASN 48 N -5.59 1.37 0.00 -1.70 3.02 -1.26 -4.61 115.26 106.49 1se9 n ASN 48 Ca 0.11 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 1se9 n ASN 48 Cb 0.59 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1se9 n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1se9 n GLY 49 N 4.82 4.95 3.78 7.41 0.00 -1.26 -4.79 105.19 120.10 1se9 n GLY 49 Ca 0.45 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 1se9 n GLY 49 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1se9 s PRO 50 N 4.95 3.44 0.00 1.61 0.02 -1.26 -4.79 135.00 138.97 1se9 s PRO 50 Ca 0.00 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.62 1se9 s PRO 50 Cb 0.00 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1se9 s PRO 50 CO 0.00 -0.78 0.00 1.17 -0.33 0.00 0.00 177.00 177.06 1se9 n LYS 51 N -1.20 0.00 -4.63 5.54 4.81 -1.26 -4.93 118.16 116.49 1se9 n LYS 51 Ca 0.11 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.26 1se9 n LYS 51 Cb 0.51 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.47 1se9 n LYS 51 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1se9 s THR 52 N -0.87 1.31 0.31 3.15 -4.23 -1.26 -4.87 115.64 109.18 1se9 s THR 52 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1se9 s THR 52 Cb 0.00 -2.53 0.10 0.00 1.34 0.00 0.00 72.50 71.42 1se9 s THR 52 CO 0.00 0.00 1.79 1.62 -0.54 0.00 0.00 174.62 177.49 1se9 h VAL 53 N 1.66 1.24 -0.16 2.29 3.04 -1.93 -3.20 116.25 119.18 1se9 h VAL 53 Ca -0.42 -1.08 -0.21 0.00 -1.01 0.00 0.00 66.70 63.98 1se9 h VAL 53 Cb 1.28 1.24 0.01 0.00 -2.01 0.00 0.00 31.29 31.81 1se9 h VAL 53 CO 0.72 0.35 -0.74 0.11 -1.01 0.00 0.00 177.57 177.00 1se9 h LYS 54 N 0.40 0.74 -0.00 4.17 1.57 -2.01 -3.24 116.57 118.20 1se9 h LYS 54 Ca 0.07 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1se9 h LYS 54 Cb 0.54 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1se9 h LYS 54 CO 0.04 1.20 -0.09 -0.85 -0.57 0.00 0.00 179.45 179.18 1se9 n GLU 55 N -3.93 0.13 -3.63 3.15 0.00 -1.21 -4.66 120.64 110.49 1se9 n GLU 55 Ca -0.06 -0.02 -0.39 0.00 0.00 0.00 0.00 57.16 56.69 1se9 n GLU 55 Cb 0.72 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.55 1se9 n GLU 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1se9 s VAL 56 N -2.89 4.77 -0.10 3.84 0.11 -1.23 -2.19 120.40 122.72 1se9 s VAL 56 Ca 0.17 -0.33 -0.15 0.00 -2.93 0.00 0.00 61.98 58.74 1se9 s VAL 56 Cb 0.19 -3.42 -0.05 0.00 -1.53 0.00 0.00 36.38 31.57 1se9 s VAL 56 CO 0.54 0.07 0.36 -0.54 -3.33 0.00 0.00 175.10 172.21 1se9 s LYS 57 N 1.64 4.13 -0.20 1.54 1.02 -0.69 -4.97 119.74 122.22 1se9 s LYS 57 Ca 0.05 0.26 -0.03 0.00 0.02 0.00 0.00 55.97 56.27 1se9 s LYS 57 Cb -0.17 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1se9 s LYS 57 CO 0.07 0.38 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.65 1se9 s LEU 58 N -0.02 2.89 -0.05 3.17 1.98 -1.26 -1.48 118.68 123.91 1se9 s LEU 58 Ca 0.21 -0.36 0.02 0.00 -2.89 0.00 0.00 54.13 51.11 1se9 s LEU 58 Cb -0.14 -1.72 0.01 0.00 0.66 0.00 0.00 46.19 44.99 1se9 s LEU 58 CO 0.08 0.02 -0.11 -0.63 -1.89 0.00 0.00 176.35 173.83 1se9 s ILE 59 N 1.22 0.97 -0.04 6.68 1.01 0.95 -2.36 121.20 129.64 1se9 s ILE 59 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1se9 s ILE 59 Cb -0.14 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.46 1se9 s ILE 59 CO -0.02 0.31 0.08 -0.55 0.00 0.00 0.00 174.94 174.77 1se9 s SER 60 N 0.53 -0.02 -1.17 3.58 0.15 -0.34 -0.94 113.70 115.49 1se9 s SER 60 Ca -0.10 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1se9 s SER 60 Cb -0.13 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1se9 s SER 60 CO 0.02 -0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.34 1se9 n ALA 61 N 4.02 -0.17 -1.01 5.45 0.00 -1.26 -1.67 120.51 125.87 1se9 n ALA 61 Ca -0.25 0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 1se9 n ALA 61 Cb 0.52 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 1se9 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1se9 n GLY 62 N -1.53 0.46 3.42 0.00 0.00 -1.26 -5.01 105.19 101.27 1se9 n GLY 62 Ca -0.11 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1se9 n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1se9 s LYS 63 N -0.53 2.24 0.04 1.61 1.02 -0.67 -5.08 119.74 118.37 1se9 s LYS 63 Ca 0.00 -0.86 -0.29 0.00 0.02 0.00 0.00 55.97 54.84 1se9 s LYS 63 Cb 0.00 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1se9 s LYS 63 CO 0.00 0.58 0.95 0.08 -0.92 0.00 0.00 175.35 176.03 1se9 s VAL 64 N -0.76 4.73 -0.13 3.17 1.01 -1.26 -1.20 120.40 125.97 1se9 s VAL 64 Ca 0.12 2.01 -0.09 0.00 0.00 0.00 0.00 61.98 64.02 1se9 s VAL 64 Cb -0.10 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1se9 s VAL 64 CO 0.01 0.24 0.17 -1.48 0.00 0.00 0.00 175.10 174.04 1se9 s LEU 65 N 0.54 4.36 0.10 3.92 2.34 -0.99 -4.98 118.68 123.97 1se9 s LEU 65 Ca 0.48 0.47 -0.31 0.00 0.06 0.00 0.00 54.13 54.84 1se9 s LEU 65 Cb -0.22 -2.13 -0.09 0.00 -0.56 0.00 0.00 46.19 43.19 1se9 s LEU 65 CO 0.28 0.35 1.58 -0.70 -1.06 0.00 0.00 176.35 176.80 1se9 s GLU 66 N -0.71 4.22 0.57 1.48 2.12 -1.26 -4.85 118.70 120.27 1se9 s GLU 66 Ca 0.15 2.29 0.33 0.00 0.36 0.00 0.00 54.97 58.09 1se9 s GLU 66 Cb -0.12 -3.43 1.72 0.00 0.26 0.00 0.00 34.13 32.56 1se9 s GLU 66 CO 0.04 -0.66 2.15 -2.95 -0.54 0.00 0.00 175.26 173.31 1se9 h ASN 67 N 7.67 0.00 0.65 -1.70 -1.07 -1.97 -2.00 115.58 117.16 1se9 h ASN 67 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.95 1se9 h ASN 67 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 1se9 h ASN 67 CO 0.92 0.06 0.00 -1.20 0.07 0.00 0.00 177.43 177.28 1se9 n SER 68 N -3.45 0.00 -4.94 6.14 7.64 -1.26 -0.30 113.62 117.45 1se9 n SER 68 Ca -0.02 -0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.62 1se9 n SER 68 Cb 0.19 -0.33 0.03 0.00 -1.01 0.00 0.00 64.21 63.08 1se9 n SER 68 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1se9 s LYS 69 N -2.66 2.89 0.28 1.43 1.02 -0.75 -4.90 119.74 117.06 1se9 s LYS 69 Ca 0.25 -0.32 0.08 0.00 0.02 0.00 0.00 55.97 55.99 1se9 s LYS 69 Cb 0.20 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1se9 s LYS 69 CO 0.47 -0.55 0.18 0.99 -0.92 0.00 0.00 175.35 175.52 1se9 s THR 70 N -2.79 3.93 0.22 2.17 2.01 -1.26 -0.14 115.64 119.77 1se9 s THR 70 Ca 0.52 -1.50 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 1se9 s THR 70 Cb -0.10 -3.22 0.12 0.00 0.01 0.00 0.00 72.50 69.31 1se9 s THR 70 CO 0.41 -0.29 1.74 0.58 -0.69 0.00 0.00 174.62 176.37 1se9 h VAL 71 N 1.50 1.26 0.02 3.82 2.07 -0.99 -1.49 116.25 122.44 1se9 h VAL 71 Ca -0.46 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.13 1se9 h VAL 71 Cb 1.25 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1se9 h VAL 71 CO 0.60 0.36 -0.15 0.50 0.02 0.00 0.00 177.57 178.90 1se9 h LYS 72 N 1.00 -0.25 0.00 1.57 3.64 -1.04 -2.32 116.57 119.16 1se9 h LYS 72 Ca 0.21 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1se9 h LYS 72 Cb 0.37 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1se9 h LYS 72 CO 0.00 -0.17 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.52 1se9 h ASP 73 N -0.26 0.00 0.65 4.20 3.32 -1.76 -2.20 116.42 120.37 1se9 h ASP 73 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1se9 h ASP 73 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1se9 h ASP 73 CO -0.14 0.05 -0.16 0.00 -1.72 0.00 0.00 179.24 177.28 1se9 n TYR 74 N -3.21 0.00 -2.04 4.55 9.36 -0.58 -4.81 117.16 120.43 1se9 n TYR 74 Ca -0.00 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 1se9 n TYR 74 Cb 0.29 -0.33 0.12 0.00 -0.63 0.00 0.00 39.34 38.79 1se9 n TYR 74 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1se9 n ARG 75 N -1.32 -0.47 -1.99 2.98 5.12 -0.83 -5.08 116.66 115.07 1se9 n ARG 75 Ca 0.09 -1.69 -0.31 0.00 -1.93 0.00 0.00 57.85 54.01 1se9 n ARG 75 Cb 0.31 -0.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.86 1se9 n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1se9 s SER 76 N -4.23 6.29 0.12 0.55 0.01 -1.26 -4.86 113.70 110.32 1se9 s SER 76 Ca 0.51 1.47 -0.31 0.00 1.31 0.00 0.00 55.95 58.93 1se9 s SER 76 Cb -0.02 -2.48 -0.17 0.00 0.21 0.00 0.00 66.02 63.56 1se9 s SER 76 CO 0.35 -0.82 0.69 -2.65 0.41 0.00 0.00 173.24 171.22 1se9 n PRO 77 N -2.47 0.00 -0.52 12.44 -0.01 -1.26 -0.59 135.00 142.59 1se9 n PRO 77 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.55 1se9 n PRO 77 Cb 0.54 -1.13 0.00 0.00 -0.01 0.00 0.00 33.50 32.90 1se9 n PRO 77 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 175.50 177.04 1se9 n VAL 78 N 0.52 0.00 -1.95 -1.45 3.14 -1.26 -4.50 118.33 112.83 1se9 n VAL 78 Ca 0.18 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.54 1se9 n VAL 78 Cb 0.18 -0.08 -0.02 0.00 -1.06 0.00 0.00 33.84 32.86 1se9 n VAL 78 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1se9 n SER 79 N 0.00 -2.53 -4.44 6.55 7.64 0.24 -4.93 113.62 116.15 1se9 n SER 79 Ca 0.00 0.77 -0.44 0.00 1.01 0.00 0.00 58.87 60.22 1se9 n SER 79 Cb 0.00 -3.19 -0.03 0.00 -1.01 0.00 0.00 64.21 59.98 1se9 n SER 79 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1se9 s ASN 80 N -0.33 6.43 0.77 6.43 4.22 -1.20 -4.96 114.94 126.30 1se9 s ASN 80 Ca -0.11 -1.62 -0.10 0.00 -2.14 0.00 0.00 52.86 48.90 1se9 s ASN 80 Cb 0.01 -2.40 0.07 0.00 1.28 0.00 0.00 41.25 40.21 1se9 s ASN 80 CO 0.29 -1.20 1.12 -0.76 -2.04 0.00 0.00 177.10 174.51 1se9 s LEU 81 N 3.17 2.62 -0.28 3.54 1.43 -1.26 -4.79 118.68 123.10 1se9 s LEU 81 Ca 0.27 0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 53.85 1se9 s LEU 81 Cb -0.11 -3.21 0.12 0.00 0.03 0.00 0.00 46.19 43.02 1se9 s LEU 81 CO -0.01 -1.80 0.90 0.00 0.23 0.00 0.00 176.35 175.68 1se9 s ALA 82 N -3.46 -2.09 -0.95 4.21 0.00 -1.26 -4.99 121.76 113.22 1se9 s ALA 82 Ca 0.61 2.18 0.27 0.00 0.00 0.00 0.00 51.96 55.03 1se9 s ALA 82 Cb -0.11 -1.56 1.13 0.00 0.00 0.00 0.00 23.12 22.58 1se9 s ALA 82 CO 0.47 -0.33 1.87 0.41 0.00 0.00 0.00 175.76 178.18 1se9 n GLY 83 N 3.49 -1.49 3.74 0.00 0.00 -1.26 -4.12 105.19 105.55 1se9 n GLY 83 Ca -0.17 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1se9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1se9 s ALA 84 N -3.02 2.28 0.02 4.61 0.00 -1.26 -4.30 121.76 120.09 1se9 s ALA 84 Ca 0.13 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 52.57 1se9 s ALA 84 Cb 0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1se9 s ALA 84 CO 0.52 -1.59 0.77 0.08 0.00 0.00 0.00 175.76 175.54 1se9 s VAL 85 N -2.14 4.80 -0.10 0.00 1.01 -1.26 -3.98 120.40 118.73 1se9 s VAL 85 Ca 0.71 1.63 -0.02 0.00 0.00 0.00 0.00 61.98 64.30 1se9 s VAL 85 Cb -0.25 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1se9 s VAL 85 CO 0.43 0.33 -0.01 -0.89 0.00 0.00 0.00 175.10 174.95 1se9 s THR 86 N 0.18 4.16 -0.24 3.92 2.01 0.59 -4.98 115.64 121.28 1se9 s THR 86 Ca 0.39 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 1se9 s THR 86 Cb -0.20 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1se9 s THR 86 CO 0.23 0.57 0.03 -0.89 -0.69 0.00 0.00 174.62 173.87 1se9 s THR 87 N -0.54 3.99 -0.02 -0.82 2.01 -1.26 -0.70 115.64 118.31 1se9 s THR 87 Ca 0.09 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1se9 s THR 87 Cb -0.12 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1se9 s THR 87 CO 0.02 0.36 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.21 1se9 s MET 88 N 1.57 2.65 0.04 4.92 -1.94 -0.57 -4.97 119.30 121.00 1se9 s MET 88 Ca 0.06 -0.65 -0.25 0.00 -1.71 0.00 0.00 55.69 53.14 1se9 s MET 88 Cb -0.15 -2.55 -0.05 0.00 2.01 0.00 0.00 34.83 34.09 1se9 s MET 88 CO 0.01 0.63 0.78 -1.01 -0.01 0.00 0.00 175.02 175.42 1se9 s HIS 89 N -0.94 3.73 -0.20 -0.03 3.76 -0.11 -0.63 115.29 120.87 1se9 s HIS 89 Ca 0.16 1.49 -0.02 0.00 -0.15 0.00 0.00 55.06 56.53 1se9 s HIS 89 Cb -0.11 -2.84 -0.00 0.00 1.11 0.00 0.00 32.58 30.73 1se9 s HIS 89 CO 0.05 0.25 -0.09 0.08 -0.85 0.00 0.00 174.74 174.18 1se9 s VAL 90 N 0.04 2.99 -0.17 -0.90 1.01 0.39 -0.04 120.40 123.73 1se9 s VAL 90 Ca 0.39 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1se9 s VAL 90 Cb -0.20 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1se9 s VAL 90 CO 0.23 0.47 0.01 -0.63 0.00 0.00 0.00 175.10 175.18 1se9 s ILE 91 N 1.30 4.32 -0.58 2.22 1.01 -0.55 -2.86 121.20 126.06 1se9 s ILE 91 Ca 0.04 -0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.26 1se9 s ILE 91 Cb -0.14 -2.92 0.06 0.00 0.01 0.00 0.00 42.46 39.46 1se9 s ILE 91 CO -0.05 0.48 0.89 -0.63 0.00 0.00 0.00 174.94 175.63 1se9 s ILE 92 N 0.35 4.46 -0.42 2.92 -1.09 -1.26 -1.70 121.20 124.45 1se9 s ILE 92 Ca -0.01 -0.10 -0.17 0.00 -2.23 0.00 0.00 60.65 58.15 1se9 s ILE 92 Cb -0.13 -4.55 0.02 0.00 -1.58 0.00 0.00 42.46 36.23 1se9 s ILE 92 CO 0.02 -1.18 0.42 -1.58 -1.23 0.00 0.00 174.94 171.39 1se9 s GLN 93 N 3.73 3.07 0.07 2.79 0.74 -0.93 -5.03 119.66 124.09 1se9 s GLN 93 Ca 0.24 -0.84 -0.17 0.00 0.05 0.00 0.00 55.36 54.64 1se9 s GLN 93 Cb -0.15 -3.98 -0.06 0.00 1.10 0.00 0.00 33.01 29.91 1se9 s GLN 93 CO 0.15 -0.86 0.53 0.00 -0.55 0.00 0.00 175.29 174.56 1se9 s ALA 94 N 2.05 3.61 0.38 1.58 0.00 -1.26 -4.74 121.76 123.39 1se9 s ALA 94 Ca 0.11 -0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 1se9 s ALA 94 Cb -0.18 -2.56 -0.11 0.00 0.00 0.00 0.00 23.12 20.28 1se9 s ALA 94 CO 0.13 0.43 1.35 -2.30 0.00 0.00 0.00 175.76 175.36 1se9 n PRO 95 N 1.59 2.22 0.24 0.00 -0.02 -1.26 -4.88 135.00 132.90 1se9 n PRO 95 Ca -0.10 0.78 0.09 0.00 -2.02 0.00 0.00 63.50 62.25 1se9 n PRO 95 Cb 0.51 -2.46 0.62 0.00 -0.02 0.00 0.00 33.50 32.16 1se9 n PRO 95 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1se9 h VAL 96 N 2.50 0.87 -2.50 -1.45 3.04 -2.02 -3.36 116.25 113.33 1se9 h VAL 96 Ca -0.48 -0.54 -0.43 0.00 -1.01 0.00 0.00 66.70 64.24 1se9 h VAL 96 Cb 1.27 1.31 -0.37 0.00 -2.01 0.00 0.00 31.29 31.49 1se9 h VAL 96 CO 0.62 0.14 -0.71 -0.89 -1.01 0.00 0.00 177.57 175.72 1se9 s THR 97 N -4.48 -0.23 0.08 3.17 2.01 -1.26 -5.11 115.64 109.82 1se9 s THR 97 Ca -0.04 -0.60 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 1se9 s THR 97 Cb 0.15 -0.96 0.04 0.00 0.01 0.00 0.00 72.50 71.74 1se9 s THR 97 CO 0.64 -0.58 0.44 -0.70 -0.69 0.00 0.00 174.62 173.73 1se9 s GLU 98 N 2.23 1.02 0.49 4.92 2.56 -1.26 -5.16 118.70 123.49 1se9 s GLU 98 Ca 0.09 -0.47 -0.13 0.00 0.00 0.00 0.00 54.97 54.46 1se9 s GLU 98 Cb -0.15 0.46 -0.07 0.00 2.00 0.00 0.00 34.13 36.37 1se9 s GLU 98 CO -0.34 -0.38 0.91 -1.59 -0.56 0.00 0.00 175.26 173.30 1se9 s LYS 99 N -3.03 3.81 0.33 4.30 -2.85 -1.26 -5.06 119.74 115.97 1se9 s LYS 99 Ca -0.02 0.71 0.06 0.00 -1.00 0.00 0.00 55.97 55.73 1se9 s LYS 99 Cb 0.00 -2.23 -0.01 0.00 -2.06 0.00 0.00 37.83 33.53 1se9 s LYS 99 CO -0.06 -0.23 0.45 -1.21 0.10 0.00 0.00 175.35 174.39 1se9 s GLU 100 N -4.21 3.12 0.00 1.78 2.02 -1.26 -4.57 118.70 115.58 1se9 s GLU 100 Ca 0.55 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1se9 s GLU 100 Cb -0.10 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1se9 s GLU 100 CO 0.36 0.10 0.00 0.36 0.02 0.00 0.00 175.26 176.09