#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se9 s ALA 2 N 0.00 -1.37 0.00 4.31 0.00 -1.26 -4.90 121.76 118.53 1se9 s ALA 2 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1se9 s ALA 2 Cb 0.00 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1se9 s ALA 2 CO 0.00 -1.04 0.00 0.39 0.00 0.00 0.00 175.76 175.11 1se9 n GLU 3 N -0.50 0.00 -1.95 0.00 1.02 -1.26 -4.88 120.64 113.07 1se9 n GLU 3 Ca -0.05 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.74 1se9 n GLU 3 Cb 0.60 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.05 1se9 n GLU 3 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1se9 s VAL 4 N -1.83 3.03 0.00 2.62 1.01 -1.26 -2.43 120.40 121.54 1se9 s VAL 4 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1se9 s VAL 4 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1se9 s VAL 4 CO 0.00 -0.22 0.00 1.41 0.00 0.00 0.00 175.10 176.29 1se9 n HIS 5 N -1.92 0.00 -3.79 5.22 8.25 -1.26 -4.97 115.22 116.76 1se9 n HIS 5 Ca 0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1se9 n HIS 5 Cb 0.51 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.54 1se9 n HIS 5 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1se9 s ASN 6 N -3.76 6.08 0.00 0.41 -0.87 -1.02 -5.05 114.94 110.74 1se9 s ASN 6 Ca 0.00 0.19 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 1se9 s ASN 6 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 1se9 s ASN 6 CO 0.00 0.17 0.00 0.00 -2.57 0.00 0.00 177.10 174.70 1se9 n GLN 7 N 3.55 0.00 -5.14 -0.60 3.00 -1.26 -1.22 117.38 115.72 1se9 n GLN 7 Ca -0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.54 1se9 n GLN 7 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.60 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 2.03 -0.11 1.08 1.02 -1.08 -2.16 118.68 119.46 1se9 s LEU 8 Ca 0.00 -0.44 -0.10 0.00 0.02 0.00 0.00 54.13 53.61 1se9 s LEU 8 Cb 0.00 -1.21 -0.05 0.00 0.02 0.00 0.00 46.19 44.95 1se9 s LEU 8 CO 0.00 0.25 0.21 -1.61 0.02 0.00 0.00 176.35 175.23 1se9 s GLU 9 N -0.33 3.76 -0.06 1.70 2.02 0.12 0.98 118.70 126.89 1se9 s GLU 9 Ca 0.03 -0.00 0.04 0.00 0.02 0.00 0.00 54.97 55.06 1se9 s GLU 9 Cb -0.11 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1se9 s GLU 9 CO 0.01 0.61 -0.17 0.42 0.02 0.00 0.00 175.26 176.15 1se9 s ILE 10 N -0.62 1.50 0.22 -1.63 1.01 0.72 0.70 121.20 123.10 1se9 s ILE 10 Ca 0.16 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 60.19 1se9 s ILE 10 Cb -0.13 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1se9 s ILE 10 CO 0.05 0.43 -0.14 -1.59 0.00 0.00 0.00 174.94 173.69 1se9 s LYS 11 N 0.27 1.87 -0.13 2.79 -2.85 -0.46 -1.67 119.74 119.56 1se9 s LYS 11 Ca -0.10 -1.47 -0.01 0.00 -1.00 0.00 0.00 55.97 53.39 1se9 s LYS 11 Cb -0.14 -1.99 -0.02 0.00 -2.06 0.00 0.00 37.83 33.62 1se9 s LYS 11 CO 0.04 0.39 -0.11 -0.06 0.10 0.00 0.00 175.35 175.71 1se9 s PHE 12 N -1.97 2.85 -0.10 1.78 0.08 -1.09 -1.45 117.98 118.08 1se9 s PHE 12 Ca 0.26 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.80 1se9 s PHE 12 Cb -0.07 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 1se9 s PHE 12 CO 0.14 -0.15 -0.23 0.50 -0.10 0.00 0.00 175.22 175.38 1se9 s ARG 13 N 0.29 3.02 0.54 0.44 3.52 -0.47 -0.10 118.95 126.19 1se9 s ARG 13 Ca -0.08 -0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 54.64 1se9 s ARG 13 Cb -0.15 -2.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.96 1se9 s ARG 13 CO 0.05 0.15 0.78 -0.51 -0.81 0.00 0.00 175.30 174.96 1se9 s LEU 14 N 0.41 3.33 0.57 -0.88 1.02 0.11 -0.02 118.68 123.23 1se9 s LEU 14 Ca -0.17 0.19 0.34 0.00 0.02 0.00 0.00 54.13 54.51 1se9 s LEU 14 Cb -0.18 -3.04 1.69 0.00 0.02 0.00 0.00 46.19 44.68 1se9 s LEU 14 CO 0.07 -1.05 2.13 0.71 0.02 0.00 0.00 176.35 178.23 1se9 h THR 15 N 0.07 0.28 0.00 5.49 1.35 -1.87 -0.43 112.91 117.79 1se9 h THR 15 Ca -0.44 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1se9 h THR 15 Cb 1.28 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1se9 h THR 15 CO 0.55 0.06 0.00 0.47 -0.25 0.00 0.00 175.52 176.35 1se9 n ASP 16 N -3.36 0.00 0.00 5.36 8.00 -1.26 -4.84 116.55 120.45 1se9 n ASP 16 Ca -0.02 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.12 1se9 n ASP 16 Cb 0.21 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1se9 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1se9 n GLY 17 N 1.16 0.76 3.72 0.44 0.00 -0.17 -5.02 105.19 106.08 1se9 n GLY 17 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.65 7.02 0.12 1.61 0.01 -1.25 -4.80 113.70 113.77 1se9 s SER 18 Ca 0.00 2.12 0.10 0.00 1.31 0.00 0.00 55.95 59.49 1se9 s SER 18 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1se9 s SER 18 CO 0.00 -0.50 -0.24 1.51 0.41 0.00 0.00 173.24 174.43 1se9 s ASP 19 N 0.92 3.53 -0.06 2.44 -4.77 -1.26 0.08 116.67 117.55 1se9 s ASP 19 Ca 0.59 -0.68 0.00 0.00 -3.30 0.00 0.00 52.55 49.17 1se9 s ASP 19 Cb -0.32 -0.34 -0.03 0.00 -1.09 0.00 0.00 42.92 41.14 1se9 s ASP 19 CO 0.31 0.18 -0.05 -0.63 0.70 0.00 0.00 175.17 175.67 1se9 s ILE 20 N -1.09 3.84 0.39 2.11 1.01 0.85 -4.98 121.20 123.34 1se9 s ILE 20 Ca 0.15 -0.46 -0.25 0.00 0.00 0.00 0.00 60.65 60.10 1se9 s ILE 20 Cb -0.10 -2.59 -0.11 0.00 0.01 0.00 0.00 42.46 39.66 1se9 s ILE 20 CO 0.07 0.58 0.95 0.61 0.00 0.00 0.00 174.94 177.16 1se9 n GLY 21 N 2.12 -0.37 3.75 6.18 0.00 -1.26 -2.68 105.19 112.93 1se9 n GLY 21 Ca -0.18 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1se9 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1se9 s PRO 22 N -1.87 4.81 0.21 1.61 0.05 -1.26 -4.62 135.00 133.92 1se9 s PRO 22 Ca 0.62 1.52 0.04 0.00 0.05 0.00 0.00 61.00 63.24 1se9 s PRO 22 Cb -0.59 -3.29 -0.05 0.00 0.05 0.00 0.00 34.50 30.62 1se9 s PRO 22 CO 0.58 0.43 -0.05 0.15 0.05 0.00 0.00 177.00 178.16 1se9 s LYS 23 N -1.00 1.26 -0.21 4.56 1.02 -0.67 -4.86 119.74 119.84 1se9 s LYS 23 Ca 0.42 -1.60 -0.20 0.00 0.02 0.00 0.00 55.97 54.61 1se9 s LYS 23 Cb -0.26 -0.69 -0.02 0.00 -0.52 0.00 0.00 37.83 36.33 1se9 s LYS 23 CO 0.33 -0.01 0.62 0.00 -0.92 0.00 0.00 175.35 175.36 1se9 s ALA 24 N -3.33 3.56 -0.23 5.17 0.00 -1.26 -0.20 121.76 125.46 1se9 s ALA 24 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1se9 s ALA 24 Cb 0.04 -2.96 0.03 0.00 0.00 0.00 0.00 23.12 20.22 1se9 s ALA 24 CO 0.06 -0.59 -0.09 -0.06 0.00 0.00 0.00 175.76 175.08 1se9 s PHE 25 N 1.98 3.02 0.61 0.00 0.40 0.28 -4.95 117.98 119.32 1se9 s PHE 25 Ca 0.28 -1.60 -0.18 0.00 -0.60 0.00 0.00 56.93 54.83 1se9 s PHE 25 Cb -0.16 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 1se9 s PHE 25 CO 0.10 -0.74 1.17 -2.14 0.70 0.00 0.00 175.22 174.31 1se9 s PRO 26 N 1.31 2.93 0.53 0.24 0.02 -1.26 -2.62 135.00 136.14 1se9 s PRO 26 Ca 0.01 1.69 0.30 0.00 0.02 0.00 0.00 61.00 63.02 1se9 s PRO 26 Cb -0.16 -1.94 1.46 0.00 0.02 0.00 0.00 34.50 33.88 1se9 s PRO 26 CO -0.06 -1.21 1.90 -0.44 -0.33 0.00 0.00 177.00 176.87 1se9 h ASP 27 N 0.66 0.01 0.73 2.53 5.19 -1.95 0.11 116.42 123.70 1se9 h ASP 27 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1se9 h ASP 27 Cb 1.28 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1se9 h ASP 27 CO 0.55 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.67 1se9 n ALA 28 N -2.70 2.40 -1.75 3.45 0.00 -1.26 -0.63 120.51 120.02 1se9 n ALA 28 Ca 0.17 -0.12 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 1se9 n ALA 28 Cb 0.91 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.74 4.06 0.45 0.00 2.01 0.39 -4.84 115.64 114.96 1se9 s THR 29 Ca 0.22 2.05 -0.03 0.00 0.31 0.00 0.00 61.69 64.25 1se9 s THR 29 Cb 0.19 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1se9 s THR 29 CO 0.48 0.47 0.71 0.42 -0.69 0.00 0.00 174.62 176.01 1se9 s THR 30 N -1.21 4.68 0.35 -0.82 -4.23 -1.26 -0.65 115.64 112.50 1se9 s THR 30 Ca 0.42 -0.14 0.23 0.00 -1.18 0.00 0.00 61.69 61.02 1se9 s THR 30 Cb -0.26 -3.76 0.23 0.00 1.34 0.00 0.00 72.50 70.05 1se9 s THR 30 CO 0.32 -0.64 1.96 0.58 -0.54 0.00 0.00 174.62 176.30 1se9 h VAL 31 N 0.37 0.76 -0.24 2.29 2.07 -1.00 0.14 116.25 120.63 1se9 h VAL 31 Ca -0.47 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1se9 h VAL 31 Cb 1.22 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1se9 h VAL 31 CO 0.61 0.20 0.05 0.28 0.02 0.00 0.00 177.57 178.72 1se9 h SER 32 N 0.00 0.37 0.58 0.57 0.02 -1.20 -0.89 113.55 113.00 1se9 h SER 32 Ca -0.00 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 1se9 h SER 32 Cb 0.49 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1se9 h SER 32 CO 0.03 0.52 -0.24 0.00 -1.14 0.00 0.00 176.83 176.00 1se9 h ALA 33 N 0.86 1.19 -0.26 3.77 0.00 -1.62 0.18 119.26 123.38 1se9 h ALA 33 Ca 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1se9 h ALA 33 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1se9 h ALA 33 CO 0.00 0.30 0.04 1.25 0.00 0.00 0.00 179.25 180.84 1se9 h LEU 34 N 0.00 0.42 -0.80 0.00 5.85 -0.51 -0.16 115.31 120.11 1se9 h LEU 34 Ca -0.00 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 1se9 h LEU 34 Cb 0.59 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1se9 h LEU 34 CO 0.03 0.57 -0.18 0.11 -0.34 0.00 0.00 178.44 178.64 1se9 h LYS 35 N 0.25 0.71 -0.85 1.25 1.57 -0.25 -2.57 116.57 116.68 1se9 h LYS 35 Ca 0.08 -0.26 0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1se9 h LYS 35 Cb 0.33 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 1se9 h LYS 35 CO 0.01 0.84 0.53 0.93 -0.57 0.00 0.00 179.45 181.19 1se9 h GLU 36 N 0.63 0.94 -0.89 3.15 4.39 -0.42 -0.84 114.58 121.54 1se9 h GLU 36 Ca 0.10 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1se9 h GLU 36 Cb 0.65 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 1se9 h GLU 36 CO 0.05 0.62 0.51 1.15 -1.16 0.00 0.00 179.01 180.18 1se9 h THR 37 N 0.97 1.25 -0.05 1.13 2.02 -0.66 -0.60 112.91 116.99 1se9 h THR 37 Ca 0.37 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1se9 h THR 37 Cb 0.15 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1se9 h THR 37 CO -0.17 0.27 0.02 0.58 0.37 0.00 0.00 175.52 176.60 1se9 h VAL 38 N 1.24 1.09 -0.92 3.16 2.07 -0.92 -2.54 116.25 119.44 1se9 h VAL 38 Ca 0.32 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.64 1se9 h VAL 38 Cb -0.01 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1se9 h VAL 38 CO -0.06 0.08 0.60 0.40 0.02 0.00 0.00 177.57 178.61 1se9 h ILE 39 N -0.04 1.04 -0.70 4.57 2.04 -0.70 0.13 117.51 123.86 1se9 h ILE 39 Ca 0.02 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 1se9 h ILE 39 Cb 0.11 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 1se9 h ILE 39 CO -0.00 0.19 0.17 -1.28 0.00 0.00 0.00 178.15 177.22 1se9 h SER 40 N 1.02 1.07 0.60 1.72 0.87 -0.84 -3.16 113.55 114.82 1se9 h SER 40 Ca 0.41 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1se9 h SER 40 Cb 0.25 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1se9 h SER 40 CO -0.16 1.02 -1.29 -0.62 -0.53 0.00 0.00 176.83 175.25 1se9 n GLU 41 N -4.25 0.56 -2.20 2.24 -0.58 -0.83 -4.87 120.64 110.71 1se9 n GLU 41 Ca 0.05 0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.38 1se9 n GLU 41 Cb 0.26 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 1se9 n GLU 41 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 1se9 s TRP 42 N -3.38 3.24 -0.24 -0.32 -0.11 0.41 -4.90 118.94 113.65 1se9 s TRP 42 Ca -0.02 1.18 -0.40 0.00 1.22 0.00 0.00 56.10 58.08 1se9 s TRP 42 Cb 0.12 -3.63 -0.16 0.00 -1.50 0.00 0.00 33.47 28.30 1se9 s TRP 42 CO 0.83 -1.99 1.67 -2.30 -4.62 0.00 0.00 176.95 170.53 1se9 n PRO 43 N 2.77 1.06 0.14 5.86 -0.02 -1.26 -4.84 135.00 138.71 1se9 n PRO 43 Ca 0.07 0.39 -0.01 0.00 -2.02 0.00 0.00 63.50 61.93 1se9 n PRO 43 Cb 0.43 -2.05 0.18 0.00 -0.02 0.00 0.00 33.50 32.03 1se9 n PRO 43 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1se9 h ARG 44 N 6.63 0.00 -0.09 -0.52 0.11 -1.90 -2.88 114.38 115.73 1se9 h ARG 44 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1se9 h ARG 44 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1se9 h ARG 44 CO 0.93 0.60 0.00 -1.91 0.10 0.00 0.00 179.97 179.70 1se9 n GLU 45 N -3.82 1.49 -1.70 0.08 2.13 -1.26 -4.92 120.64 112.64 1se9 n GLU 45 Ca -0.01 -0.73 -0.42 0.00 0.66 0.00 0.00 57.16 56.65 1se9 n GLU 45 Cb 0.60 -1.39 -0.01 0.00 0.27 0.00 0.00 31.44 30.92 1se9 n GLU 45 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1se9 n LYS 46 N -0.07 2.17 -4.99 5.31 0.00 -1.09 -5.00 118.16 114.49 1se9 n LYS 46 Ca 0.17 0.76 -0.27 0.00 -0.00 0.00 0.00 58.31 58.97 1se9 n LYS 46 Cb 0.25 -2.36 -0.16 0.00 -0.00 0.00 0.00 35.03 32.77 1se9 n LYS 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1se9 s GLU 47 N -1.85 1.68 -1.65 -1.58 2.02 -1.26 -4.60 118.70 111.47 1se9 s GLU 47 Ca 0.56 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1se9 s GLU 47 Cb -0.56 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.06 1se9 s GLU 47 CO 0.62 0.43 0.00 0.09 0.02 0.00 0.00 175.26 176.42 1se9 n ASN 48 N 2.62 -4.88 -4.27 -0.19 4.13 -1.26 -4.99 115.26 106.42 1se9 n ASN 48 Ca -0.15 0.37 -0.19 0.00 1.68 0.00 0.00 54.58 56.28 1se9 n ASN 48 Cb 0.53 -3.78 -0.11 0.00 -1.54 0.00 0.00 39.78 34.88 1se9 n ASN 48 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1se9 s GLY 49 N -2.80 1.19 0.87 7.41 0.00 -1.26 -4.75 107.32 107.97 1se9 s GLY 49 Ca 0.00 -1.37 -0.16 0.00 0.00 0.00 0.00 44.72 43.18 1se9 s GLY 49 CO 0.00 -1.43 -0.30 -1.05 0.00 0.00 0.00 173.10 170.32 1se9 n PRO 50 N 0.40 -0.01 0.04 2.90 -0.02 -1.26 -4.92 135.00 132.14 1se9 n PRO 50 Ca -0.14 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1se9 n PRO 50 Cb 0.57 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 1se9 n PRO 50 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1se9 n LYS 51 N 1.15 0.00 -4.21 -0.52 4.81 -1.26 -4.98 118.16 113.15 1se9 n LYS 51 Ca 0.03 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.20 1se9 n LYS 51 Cb 0.53 -0.11 -0.05 0.00 0.02 0.00 0.00 35.03 35.42 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 -2.00 1.84 0.57 3.15 -4.23 -1.26 -4.58 115.64 109.13 1se9 s THR 52 Ca 0.00 -1.71 0.33 0.00 -1.18 0.00 0.00 61.69 59.13 1se9 s THR 52 Cb 0.00 -2.55 0.48 0.00 1.34 0.00 0.00 72.50 71.76 1se9 s THR 52 CO 0.00 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 176.39 1se9 h VAL 53 N 1.22 0.29 0.00 2.29 2.07 -1.89 0.85 116.25 121.07 1se9 h VAL 53 Ca -0.41 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 1se9 h VAL 53 Cb 1.28 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1se9 h VAL 53 CO 0.67 0.00 -0.51 0.50 0.02 0.00 0.00 177.57 178.26 1se9 h LYS 54 N 0.00 0.00 -0.00 1.57 3.64 -1.98 -3.12 116.57 116.67 1se9 h LYS 54 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1se9 h LYS 54 Cb 2.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.94 1se9 h LYS 54 CO -0.00 0.51 -0.66 0.39 -2.27 0.00 0.00 179.45 177.42 1se9 n GLU 55 N -3.43 0.32 -4.49 1.90 4.71 0.28 -4.87 120.64 115.07 1se9 n GLU 55 Ca 0.00 -0.24 -0.33 0.00 -0.01 0.00 0.00 57.16 56.59 1se9 n GLU 55 Cb 0.64 -1.50 -0.16 0.00 -1.01 0.00 0.00 31.44 29.42 1se9 n GLU 55 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1se9 s VAL 56 N -2.84 2.34 0.03 2.62 1.01 -1.17 -0.96 120.40 121.43 1se9 s VAL 56 Ca 0.13 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1se9 s VAL 56 Cb 0.17 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1se9 s VAL 56 CO 0.72 0.53 -0.17 -0.54 0.00 0.00 0.00 175.10 175.64 1se9 s LYS 57 N 0.93 2.15 -0.20 2.72 1.02 -0.44 -4.87 119.74 121.06 1se9 s LYS 57 Ca -0.04 -0.94 -0.03 0.00 0.02 0.00 0.00 55.97 54.98 1se9 s LYS 57 Cb -0.15 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1se9 s LYS 57 CO -0.03 0.55 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.38 1se9 s LEU 58 N -1.41 2.88 -0.13 3.17 2.01 -1.26 -1.06 118.68 122.88 1se9 s LEU 58 Ca 0.15 -0.36 0.01 0.00 0.01 0.00 0.00 54.13 53.94 1se9 s LEU 58 Cb -0.11 -1.71 -0.01 0.00 0.01 0.00 0.00 46.19 44.37 1se9 s LEU 58 CO 0.05 0.03 -0.16 -0.63 1.01 0.00 0.00 176.35 176.66 1se9 s ILE 59 N 1.16 2.75 -0.03 -0.59 1.09 -0.00 -0.93 121.20 124.65 1se9 s ILE 59 Ca 0.02 -0.76 0.01 0.00 -1.10 0.00 0.00 60.65 58.82 1se9 s ILE 59 Cb -0.14 -2.14 0.02 0.00 -1.06 0.00 0.00 42.46 39.14 1se9 s ILE 59 CO -0.01 0.53 -0.03 -0.94 -0.10 0.00 0.00 174.94 174.39 1se9 s SER 60 N 0.48 0.68 -1.30 3.58 1.04 -0.15 -0.60 113.70 117.43 1se9 s SER 60 Ca -0.11 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1se9 s SER 60 Cb -0.16 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.64 1se9 s SER 60 CO 0.05 -0.06 0.00 0.00 0.98 0.00 0.00 173.24 174.21 1se9 n ALA 61 N 3.96 -0.19 -0.85 5.32 0.00 -1.26 -1.13 120.51 126.36 1se9 n ALA 61 Ca -0.25 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1se9 n ALA 61 Cb 0.51 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.97 0.49 3.10 0.00 0.00 -1.26 -5.05 105.19 101.49 1se9 n GLY 62 Ca -0.12 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1se9 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1se9 s LYS 63 N -1.50 1.86 0.09 1.61 2.20 -0.28 -5.11 119.74 118.60 1se9 s LYS 63 Ca 0.00 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 1se9 s LYS 63 Cb 0.00 -1.55 -0.05 0.00 -1.51 0.00 0.00 37.83 34.71 1se9 s LYS 63 CO 0.00 0.16 0.94 0.08 -0.36 0.00 0.00 175.35 176.17 1se9 s VAL 64 N 0.29 4.58 -0.16 4.02 1.01 -1.26 -0.98 120.40 127.90 1se9 s VAL 64 Ca -0.09 2.03 -0.26 0.00 0.00 0.00 0.00 61.98 63.66 1se9 s VAL 64 Cb -0.14 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1se9 s VAL 64 CO 0.03 0.30 0.84 -0.76 0.00 0.00 0.00 175.10 175.52 1se9 s LEU 65 N 0.14 4.19 0.10 3.92 1.02 -0.10 -4.98 118.68 122.97 1se9 s LEU 65 Ca 0.47 1.22 -0.31 0.00 0.02 0.00 0.00 54.13 55.53 1se9 s LEU 65 Cb -0.23 -3.26 -0.07 0.00 0.02 0.00 0.00 46.19 42.65 1se9 s LEU 65 CO 0.29 -0.39 1.38 -0.70 0.02 0.00 0.00 176.35 176.95 1se9 s GLU 66 N 2.05 4.32 0.53 1.70 2.12 -1.26 -4.67 118.70 123.49 1se9 s GLU 66 Ca 0.39 2.05 0.29 0.00 0.36 0.00 0.00 54.97 58.06 1se9 s GLU 66 Cb -0.17 -3.30 1.51 0.00 0.26 0.00 0.00 34.13 32.43 1se9 s GLU 66 CO 0.13 -0.45 2.09 -2.95 -0.54 0.00 0.00 175.26 173.54 1se9 h ASN 67 N 6.97 0.00 -0.03 -1.70 -1.07 -1.95 -1.78 115.58 116.01 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 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1se9 h ASN 67 CO 0.87 0.10 0.00 -1.20 0.07 0.00 0.00 177.43 177.27 1se9 n SER 68 N -3.56 0.43 -4.98 6.14 7.64 -1.26 -0.85 113.62 117.18 1se9 n SER 68 Ca -0.02 -1.40 -0.20 0.00 1.01 0.00 0.00 58.87 58.26 1se9 n SER 68 Cb 0.23 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.96 3.25 0.33 1.43 -0.14 -0.67 -4.97 119.74 117.01 1se9 s LYS 69 Ca 0.33 -0.81 0.07 0.00 -1.36 0.00 0.00 55.97 54.20 1se9 s LYS 69 Cb 0.16 -2.80 -0.01 0.00 -1.68 0.00 0.00 37.83 33.49 1se9 s LYS 69 CO 0.26 0.15 0.42 0.99 -0.76 0.00 0.00 175.35 176.41 1se9 s THR 70 N -2.17 3.95 0.26 2.17 2.01 -1.26 -0.79 115.64 119.81 1se9 s THR 70 Ca 0.41 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 1se9 s THR 70 Cb -0.09 -3.36 0.17 0.00 0.01 0.00 0.00 72.50 69.23 1se9 s THR 70 CO 0.32 -0.17 1.83 0.58 -0.69 0.00 0.00 174.62 176.49 1se9 h VAL 71 N 1.00 1.23 -0.34 3.82 2.07 -0.66 -1.73 116.25 121.64 1se9 h VAL 71 Ca -0.46 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1se9 h VAL 71 Cb 1.25 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1se9 h VAL 71 CO 0.54 0.30 0.09 0.50 0.02 0.00 0.00 177.57 179.02 1se9 h LYS 72 N 0.95 0.48 -0.02 1.57 3.64 -1.12 -1.77 116.57 120.29 1se9 h LYS 72 Ca 0.22 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.33 1se9 h LYS 72 Cb 0.21 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1se9 h LYS 72 CO -0.02 0.44 -0.83 -0.44 -2.27 0.00 0.00 179.45 176.34 1se9 h ASP 73 N 0.48 0.37 0.48 4.20 3.32 -1.62 -3.26 116.42 120.39 1se9 h ASP 73 Ca 0.11 -0.28 -0.22 0.00 0.02 0.00 0.00 57.03 56.67 1se9 h ASP 73 Cb 0.17 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1se9 h ASP 73 CO -0.01 1.05 -0.94 0.22 -1.72 0.00 0.00 179.24 177.85 1se9 h TYR 74 N 0.18 0.44 -3.99 4.55 3.20 -0.84 -3.45 116.97 117.06 1se9 h TYR 74 Ca -0.05 -0.25 -0.50 0.00 3.14 0.00 0.00 58.73 61.08 1se9 h TYR 74 Cb 1.43 -0.05 0.05 0.00 1.54 0.00 0.00 36.73 39.70 1se9 h TYR 74 CO 0.04 1.08 0.46 1.03 -1.64 0.00 0.00 178.16 179.12 1se9 s ARG 75 N -3.18 3.90 0.16 1.82 0.52 -0.71 -5.03 118.95 116.42 1se9 s ARG 75 Ca -0.04 1.67 -0.08 0.00 -0.52 0.00 0.00 55.73 56.76 1se9 s ARG 75 Cb 0.09 -2.44 -0.06 0.00 0.52 0.00 0.00 34.95 33.06 1se9 s ARG 75 CO 0.85 -0.41 0.45 -1.54 0.02 0.00 0.00 175.30 174.67 1se9 s SER 76 N -1.44 6.58 0.98 0.23 1.04 -1.26 -4.97 113.70 114.85 1se9 s SER 76 Ca 0.62 0.76 -0.15 0.00 0.48 0.00 0.00 55.95 57.66 1se9 s SER 76 Cb -0.26 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 1se9 s SER 76 CO 0.32 0.03 -0.16 -2.65 0.98 0.00 0.00 173.24 171.77 1se9 n PRO 77 N 0.20 -0.24 -3.29 4.02 -0.02 -1.26 -4.25 135.00 130.16 1se9 n PRO 77 Ca -0.03 -0.05 -0.18 0.00 -2.02 0.00 0.00 63.50 61.23 1se9 n PRO 77 Cb 0.52 -1.49 0.01 0.00 -0.02 0.00 0.00 33.50 32.53 1se9 n PRO 77 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1se9 n VAL 78 N -3.22 -7.28 -3.26 -1.45 3.14 -1.26 -5.04 118.33 99.96 1se9 n VAL 78 Ca 0.03 0.20 0.03 0.00 -2.96 0.00 0.00 64.34 61.64 1se9 n VAL 78 Cb 0.56 -5.26 -0.04 0.00 -1.06 0.00 0.00 33.84 28.05 1se9 n VAL 78 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1se9 s SER 79 N -2.51 -0.34 0.24 6.55 0.15 -1.26 -5.19 113.70 111.35 1se9 s SER 79 Ca 0.16 0.41 0.05 0.00 0.70 0.00 0.00 55.95 57.28 1se9 s SER 79 Cb -0.03 1.37 -0.05 0.00 -1.71 0.00 0.00 66.02 65.59 1se9 s SER 79 CO 0.82 -0.06 -0.04 0.54 1.20 0.00 0.00 173.24 175.70 1se9 s ASN 80 N 2.39 2.26 0.87 5.45 4.22 -1.26 -5.03 114.94 123.84 1se9 s ASN 80 Ca -0.01 -1.18 -0.11 0.00 -2.14 0.00 0.00 52.86 49.41 1se9 s ASN 80 Cb -0.05 -0.07 0.11 0.00 1.28 0.00 0.00 41.25 42.52 1se9 s ASN 80 CO -0.16 -0.41 1.09 -1.48 -2.04 0.00 0.00 177.10 174.11 1se9 s LEU 81 N -3.35 2.44 0.00 3.54 2.34 -1.26 -4.91 118.68 117.48 1se9 s LEU 81 Ca 0.28 1.56 0.00 0.00 0.06 0.00 0.00 54.13 56.02 1se9 s LEU 81 Cb 0.04 -4.04 0.00 0.00 -0.56 0.00 0.00 46.19 41.63 1se9 s LEU 81 CO 0.09 -2.49 0.00 0.00 -1.06 0.00 0.00 176.35 172.89 1se9 n ALA 82 N -3.79 0.00 -2.86 1.48 0.00 -1.22 -4.93 120.51 109.18 1se9 n ALA 82 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 1se9 n ALA 82 Cb 0.55 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.05 1se9 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1se9 n GLY 83 N 0.00 -0.04 3.68 0.00 0.00 -0.35 -4.55 105.19 103.93 1se9 n GLY 83 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.21 3.54 -0.09 4.61 0.00 -0.92 -4.69 121.76 120.98 1se9 s ALA 84 Ca 0.01 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 1se9 s ALA 84 Cb -0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1se9 s ALA 84 CO 0.44 -0.83 0.71 0.08 0.00 0.00 0.00 175.76 176.15 1se9 s VAL 85 N 2.58 5.03 -0.05 0.00 1.01 -1.26 0.11 120.40 127.82 1se9 s VAL 85 Ca 0.49 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.95 1se9 s VAL 85 Cb -0.19 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1se9 s VAL 85 CO 0.15 0.21 -0.20 -0.89 0.00 0.00 0.00 175.10 174.36 1se9 s THR 86 N 1.09 1.68 -0.23 3.92 2.01 0.22 -4.92 115.64 119.41 1se9 s THR 86 Ca 0.36 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 1se9 s THR 86 Cb -0.17 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 1se9 s THR 86 CO 0.16 0.48 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.64 1se9 s THR 87 N -0.09 3.29 -0.12 -0.82 2.01 -1.26 -1.36 115.64 117.29 1se9 s THR 87 Ca -0.02 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.34 1se9 s THR 87 Cb -0.12 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1se9 s THR 87 CO 0.02 0.38 0.05 -0.04 -0.69 0.00 0.00 174.62 174.34 1se9 s MET 88 N 1.45 3.36 -0.17 4.92 -1.94 -0.53 -4.84 119.30 121.55 1se9 s MET 88 Ca 0.05 -0.33 -0.20 0.00 -1.71 0.00 0.00 55.69 53.50 1se9 s MET 88 Cb -0.15 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.67 1se9 s MET 88 CO -0.03 0.60 0.61 -1.01 -0.01 0.00 0.00 175.02 175.18 1se9 s HIS 89 N -0.58 3.41 -0.20 -0.03 3.76 0.23 -1.36 115.29 120.52 1se9 s HIS 89 Ca 0.11 0.94 -0.16 0.00 -0.15 0.00 0.00 55.06 55.79 1se9 s HIS 89 Cb -0.12 -2.76 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 1se9 s HIS 89 CO 0.02 -0.10 0.42 0.08 -0.85 0.00 0.00 174.74 174.31 1se9 s VAL 90 N 1.61 5.18 -0.31 -0.90 1.01 0.98 -0.82 120.40 127.15 1se9 s VAL 90 Ca 0.29 0.75 -0.10 0.00 0.00 0.00 0.00 61.98 62.92 1se9 s VAL 90 Cb -0.16 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1se9 s VAL 90 CO 0.11 0.24 0.15 -0.63 0.00 0.00 0.00 175.10 174.97 1se9 s ILE 91 N 1.36 4.64 -0.11 2.22 -1.09 -0.23 -4.20 121.20 123.79 1se9 s ILE 91 Ca 0.20 -0.38 -0.19 0.00 -2.23 0.00 0.00 60.65 58.05 1se9 s ILE 91 Cb -0.15 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1se9 s ILE 91 CO 0.08 0.08 0.53 -0.63 -1.23 0.00 0.00 174.94 173.77 1se9 s ILE 92 N 1.62 5.16 -0.21 2.92 1.09 -1.26 -1.32 121.20 129.19 1se9 s ILE 92 Ca 0.05 1.06 -0.17 0.00 -1.10 0.00 0.00 60.65 60.49 1se9 s ILE 92 Cb -0.17 -3.87 -0.03 0.00 -1.06 0.00 0.00 42.46 37.33 1se9 s ILE 92 CO 0.06 0.31 0.47 -1.10 -0.10 0.00 0.00 174.94 174.58 1se9 s GLN 93 N 0.65 4.16 -0.15 2.79 -1.52 -0.13 -5.00 119.66 120.45 1se9 s GLN 93 Ca 0.29 0.31 -0.29 0.00 -1.95 0.00 0.00 55.36 53.71 1se9 s GLN 93 Cb -0.16 -3.57 -0.06 0.00 -0.22 0.00 0.00 33.01 29.00 1se9 s GLN 93 CO 0.12 -0.15 2.05 0.00 -0.25 0.00 0.00 175.29 177.06 1se9 s ALA 94 N 1.65 3.05 0.48 6.09 0.00 -1.26 -4.79 121.76 126.97 1se9 s ALA 94 Ca 0.21 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 52.85 1se9 s ALA 94 Cb -0.15 -3.98 -0.09 0.00 0.00 0.00 0.00 23.12 18.90 1se9 s ALA 94 CO 0.09 -2.33 0.99 -1.25 0.00 0.00 0.00 175.76 173.25 1se9 s PRO 95 N 5.57 3.98 -0.20 0.00 0.04 -1.26 -5.04 135.00 138.08 1se9 s PRO 95 Ca 0.92 1.14 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 1se9 s PRO 95 Cb -0.34 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 1se9 s PRO 95 CO 0.36 -0.25 -0.01 0.08 0.04 0.00 0.00 177.00 177.22 1se9 s VAL 96 N -2.27 3.78 -0.52 -0.36 1.01 -1.26 -4.92 120.40 115.85 1se9 s VAL 96 Ca 0.63 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 1se9 s VAL 96 Cb -0.11 -2.71 0.14 0.00 0.00 0.00 0.00 36.38 33.69 1se9 s VAL 96 CO 0.21 0.43 0.32 0.28 0.00 0.00 0.00 175.10 176.34 1se9 s THR 97 N 1.12 3.42 0.11 3.92 -1.32 -1.26 -5.05 115.64 116.58 1se9 s THR 97 Ca 0.02 -2.62 -0.31 0.00 -1.21 0.00 0.00 61.69 57.58 1se9 s THR 97 Cb -0.14 -3.29 -0.07 0.00 -1.51 0.00 0.00 72.50 67.48 1se9 s THR 97 CO 0.01 -0.79 1.30 -0.70 -2.21 0.00 0.00 174.62 172.22 1se9 s GLU 98 N 0.42 4.38 -0.42 7.08 2.12 -1.26 -3.07 118.70 127.95 1se9 s GLU 98 Ca 0.13 1.94 -0.04 0.00 0.36 0.00 0.00 54.97 57.37 1se9 s GLU 98 Cb -0.22 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1se9 s GLU 98 CO -0.04 -0.33 0.45 1.17 -0.54 0.00 0.00 175.26 175.97 1se9 n LYS 99 N 3.74 -1.17 -2.27 4.30 4.81 -1.26 -5.03 118.16 121.27 1se9 n LYS 99 Ca 0.10 1.34 -0.27 0.00 -0.87 0.00 0.00 58.31 58.61 1se9 n LYS 99 Cb 0.44 -4.39 0.04 0.00 0.02 0.00 0.00 35.03 31.14 1se9 n LYS 99 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1se9 s GLU 100 N -2.66 2.84 0.00 1.64 2.12 -1.17 -5.17 118.70 116.30 1se9 s GLU 100 Ca 0.06 0.07 0.31 0.00 0.36 0.00 0.00 54.97 55.77 1se9 s GLU 100 Cb -0.02 -2.21 1.61 0.00 0.26 0.00 0.00 34.13 33.77 1se9 s GLU 100 CO 0.52 -0.82 2.06 1.17 -0.54 0.00 0.00 175.26 177.65