#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 -0.73 -2.10 0.62 0.00 -1.26 -4.95 120.51 112.09 1se9 n ALA 2 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 1se9 n ALA 2 Cb 0.00 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.14 1se9 n ALA 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1se9 s GLU 3 N -5.18 2.88 -0.59 0.00 1.03 -1.26 -5.01 118.70 110.57 1se9 s GLU 3 Ca 0.06 -1.18 -0.28 0.00 0.03 0.00 0.00 54.97 53.60 1se9 s GLU 3 Cb -0.03 -2.76 0.02 0.00 -0.80 0.00 0.00 34.13 30.56 1se9 s GLU 3 CO 0.08 -0.22 1.29 0.08 -1.33 0.00 0.00 175.26 175.15 1se9 s VAL 4 N -2.33 3.90 -0.06 1.83 1.01 -1.26 -4.95 120.40 118.54 1se9 s VAL 4 Ca 0.53 0.76 0.04 0.00 0.00 0.00 0.00 61.98 63.31 1se9 s VAL 4 Cb -0.10 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1se9 s VAL 4 CO 0.33 -1.33 -0.18 -1.38 0.00 0.00 0.00 175.10 172.54 1se9 s HIS 5 N 5.46 1.84 0.00 5.22 -3.43 -1.26 -4.79 115.29 118.32 1se9 s HIS 5 Ca 0.46 -0.60 0.00 0.00 -0.80 0.00 0.00 55.06 54.12 1se9 s HIS 5 Cb -0.09 -1.25 0.00 0.00 -1.43 0.00 0.00 32.58 29.81 1se9 s HIS 5 CO 0.24 -0.23 0.00 -1.71 -2.00 0.00 0.00 174.74 171.04 1se9 n ASN 6 N 3.32 0.00 -2.90 7.38 2.85 -1.26 -5.12 115.26 119.53 1se9 n ASN 6 Ca -0.19 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.15 1se9 n ASN 6 Cb 0.53 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.65 1se9 n ASN 6 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1se9 n GLN 7 N 0.00 -1.19 -4.09 1.20 10.64 -1.26 -4.69 117.38 117.99 1se9 n GLN 7 Ca 0.00 -0.85 -0.36 0.00 -1.83 0.00 0.00 57.00 53.96 1se9 n GLN 7 Cb 0.00 -0.66 -0.08 0.00 -0.86 0.00 0.00 30.24 28.65 1se9 n GLN 7 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1se9 s LEU 8 N 0.00 4.03 0.05 2.61 1.02 -1.01 -4.82 118.68 120.55 1se9 s LEU 8 Ca 0.32 0.31 -0.19 0.00 0.02 0.00 0.00 54.13 54.60 1se9 s LEU 8 Cb -0.02 -1.96 -0.06 0.00 0.02 0.00 0.00 46.19 44.17 1se9 s LEU 8 CO 0.24 0.38 0.56 -1.61 0.02 0.00 0.00 176.35 175.94 1se9 s GLU 9 N -0.89 4.21 -0.02 1.70 8.01 -1.24 0.38 118.70 130.84 1se9 s GLU 9 Ca 0.14 0.70 0.07 0.00 0.01 0.00 0.00 54.97 55.89 1se9 s GLU 9 Cb -0.12 -3.27 -0.02 0.00 -4.31 0.00 0.00 34.13 26.42 1se9 s GLU 9 CO 0.03 0.57 -0.23 0.42 0.01 0.00 0.00 175.26 176.06 1se9 s ILE 10 N -0.86 1.81 0.10 -1.63 1.01 0.16 -0.79 121.20 120.99 1se9 s ILE 10 Ca 0.29 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1se9 s ILE 10 Cb -0.19 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1se9 s ILE 10 CO 0.18 0.51 -0.23 -1.59 0.00 0.00 0.00 174.94 173.81 1se9 s LYS 11 N -0.50 1.29 -0.28 2.79 -2.85 -0.21 -1.27 119.74 118.70 1se9 s LYS 11 Ca 0.08 -1.18 -0.10 0.00 -1.00 0.00 0.00 55.97 53.77 1se9 s LYS 11 Cb -0.09 -1.59 -0.04 0.00 -2.06 0.00 0.00 37.83 34.05 1se9 s LYS 11 CO -0.01 0.38 0.16 -0.06 0.10 0.00 0.00 175.35 175.93 1se9 s PHE 12 N -1.05 3.18 -0.19 1.78 0.08 -1.23 -1.52 117.98 119.03 1se9 s PHE 12 Ca 0.09 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.96 1se9 s PHE 12 Cb -0.10 -2.35 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 1se9 s PHE 12 CO 0.04 -0.27 -0.02 0.50 -0.10 0.00 0.00 175.22 175.37 1se9 s ARG 13 N 1.70 3.58 0.65 0.44 3.52 -0.06 -0.27 118.95 128.51 1se9 s ARG 13 Ca 0.06 -0.55 -0.11 0.00 -0.13 0.00 0.00 55.73 55.00 1se9 s ARG 13 Cb -0.16 -3.02 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1se9 s ARG 13 CO 0.09 0.03 1.05 -0.51 -0.81 0.00 0.00 175.30 175.14 1se9 s LEU 14 N 0.94 3.21 0.46 -0.88 2.01 0.55 -0.47 118.68 124.50 1se9 s LEU 14 Ca 0.01 1.56 0.31 0.00 0.01 0.00 0.00 54.13 56.02 1se9 s LEU 14 Cb -0.14 -4.49 1.58 0.00 0.01 0.00 0.00 46.19 43.14 1se9 s LEU 14 CO 0.01 -1.19 1.95 0.00 1.01 0.00 0.00 176.35 178.14 1se9 h THR 15 N -0.43 0.00 0.00 5.49 1.03 -1.62 -0.28 112.91 117.10 1se9 h THR 15 Ca -0.44 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 65.83 1se9 h THR 15 Cb 1.20 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1se9 h THR 15 CO 0.59 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.57 1se9 n ASP 16 N -2.66 0.00 0.00 0.00 9.92 -1.26 -4.88 116.55 117.67 1se9 n ASP 16 Ca -0.01 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1se9 n ASP 16 Cb 0.13 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 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 1.26 0.79 3.89 0.44 0.00 -0.11 -5.07 105.19 106.39 1se9 n GLY 17 Ca 0.09 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.15 6.50 0.07 1.61 0.01 -1.25 -4.91 113.70 113.59 1se9 s SER 18 Ca 0.00 0.57 0.09 0.00 1.31 0.00 0.00 55.95 57.92 1se9 s SER 18 Cb 0.00 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 1se9 s SER 18 CO 0.00 0.15 -0.22 -1.81 0.41 0.00 0.00 173.24 171.77 1se9 s ASP 19 N -2.11 3.56 -0.11 2.44 1.01 -1.26 -0.33 116.67 119.86 1se9 s ASP 19 Ca 0.35 -0.56 -0.03 0.00 0.71 0.00 0.00 52.55 53.01 1se9 s ASP 19 Cb -0.13 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.33 1se9 s ASP 19 CO 0.21 0.23 0.02 -0.63 0.21 0.00 0.00 175.17 175.21 1se9 s ILE 20 N -0.96 4.50 -0.03 0.77 1.01 0.63 -4.99 121.20 122.13 1se9 s ILE 20 Ca 0.14 -0.17 -0.38 0.00 0.00 0.00 0.00 60.65 60.24 1se9 s ILE 20 Cb -0.10 -2.93 -0.17 0.00 0.01 0.00 0.00 42.46 39.27 1se9 s ILE 20 CO 0.06 0.58 1.40 0.61 0.00 0.00 0.00 174.94 177.58 1se9 n GLY 21 N 2.46 0.43 3.75 6.18 0.00 -1.26 -3.47 105.19 113.28 1se9 n GLY 21 Ca -0.18 0.77 -0.39 0.00 0.00 0.00 0.00 46.02 46.22 1se9 n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1se9 n PRO 22 N 3.02 1.85 -4.26 1.61 -0.04 -1.26 -4.80 135.00 131.12 1se9 n PRO 22 Ca 0.21 0.67 -0.15 0.00 -0.04 0.00 0.00 63.50 64.19 1se9 n PRO 22 Cb 0.15 -2.60 -0.10 0.00 -0.04 0.00 0.00 33.50 30.91 1se9 n PRO 22 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1se9 s LYS 23 N -2.79 1.09 -0.10 0.54 2.20 -0.40 -4.92 119.74 115.37 1se9 s LYS 23 Ca 0.69 -1.45 -0.21 0.00 -0.36 0.00 0.00 55.97 54.64 1se9 s LYS 23 Cb -0.42 -0.72 -0.04 0.00 -1.51 0.00 0.00 37.83 35.14 1se9 s LYS 23 CO 0.51 0.10 0.60 0.00 -0.36 0.00 0.00 175.35 176.21 1se9 s ALA 24 N -3.15 3.41 -0.07 3.13 0.00 -1.26 -0.67 121.76 123.16 1se9 s ALA 24 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1se9 s ALA 24 Cb 0.01 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.32 1se9 s ALA 24 CO 0.02 -0.10 -0.04 -0.06 0.00 0.00 0.00 175.76 175.58 1se9 s PHE 25 N 0.83 0.87 0.59 0.00 0.40 0.16 -4.94 117.98 115.89 1se9 s PHE 25 Ca 0.32 -0.29 -0.19 0.00 -0.60 0.00 0.00 56.93 56.17 1se9 s PHE 25 Cb -0.16 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 1se9 s PHE 25 CO 0.14 -0.29 1.19 -2.14 0.70 0.00 0.00 175.22 174.82 1se9 s PRO 26 N 1.41 3.01 0.62 0.24 0.02 -1.26 -2.40 135.00 136.62 1se9 s PRO 26 Ca -0.03 1.77 0.37 0.00 0.02 0.00 0.00 61.00 63.13 1se9 s PRO 26 Cb -0.13 -1.94 2.05 0.00 0.02 0.00 0.00 34.50 34.49 1se9 s PRO 26 CO -0.03 -1.16 2.28 -0.44 -0.33 0.00 0.00 177.00 177.31 1se9 h ASP 27 N 0.88 0.00 -0.01 2.53 5.19 -1.96 -0.60 116.42 122.45 1se9 h ASP 27 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1se9 h ASP 27 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1se9 h ASP 27 CO 0.55 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.69 1se9 n ALA 28 N -2.19 2.62 -1.77 3.45 0.00 -1.26 -0.28 120.51 121.08 1se9 n ALA 28 Ca -0.03 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 1se9 n ALA 28 Cb 0.11 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 3.16 0.42 0.00 2.01 -0.23 -4.81 115.64 114.19 1se9 s THR 29 Ca 0.32 0.97 -0.02 0.00 0.31 0.00 0.00 61.69 63.27 1se9 s THR 29 Cb 0.15 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1se9 s THR 29 CO 0.25 0.09 0.67 0.42 -0.69 0.00 0.00 174.62 175.35 1se9 s THR 30 N -1.41 4.76 0.28 -0.82 -4.23 -1.26 0.20 115.64 113.15 1se9 s THR 30 Ca 0.57 -0.23 0.19 0.00 -1.18 0.00 0.00 61.69 61.03 1se9 s THR 30 Cb -0.31 -3.77 0.16 0.00 1.34 0.00 0.00 72.50 69.92 1se9 s THR 30 CO 0.39 -0.61 1.83 0.58 -0.54 0.00 0.00 174.62 176.27 1se9 h VAL 31 N 0.47 0.92 -0.03 2.29 2.07 -0.56 -0.01 116.25 121.39 1se9 h VAL 31 Ca -0.48 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 1se9 h VAL 31 Cb 1.22 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1se9 h VAL 31 CO 0.61 0.31 0.02 -1.28 0.02 0.00 0.00 177.57 177.24 1se9 h SER 32 N 0.00 0.04 0.49 0.57 0.87 -1.47 0.76 113.55 114.81 1se9 h SER 32 Ca -0.00 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 1se9 h SER 32 Cb 0.71 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1se9 h SER 32 CO 0.04 0.16 -0.33 0.00 -0.53 0.00 0.00 176.83 176.17 1se9 h ALA 33 N 0.88 1.26 -0.36 6.23 0.00 -1.76 0.21 119.26 125.71 1se9 h ALA 33 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1se9 h ALA 33 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1se9 h ALA 33 CO -0.00 0.42 0.07 1.25 0.00 0.00 0.00 179.25 180.99 1se9 h LEU 34 N 0.00 0.56 -0.49 0.00 5.85 -0.66 -0.35 115.31 120.23 1se9 h LEU 34 Ca -0.00 -0.25 -0.14 0.00 0.84 0.00 0.00 57.88 58.33 1se9 h LEU 34 Cb 0.67 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1se9 h LEU 34 CO 0.04 0.66 -0.24 0.11 -0.34 0.00 0.00 178.44 178.67 1se9 h LYS 35 N 0.43 0.98 -0.85 1.25 1.79 -0.09 -2.16 116.57 117.93 1se9 h LYS 35 Ca 0.11 -0.43 0.07 0.00 -2.18 0.00 0.00 60.65 58.21 1se9 h LYS 35 Cb 0.33 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.89 1se9 h LYS 35 CO 0.00 1.10 0.52 0.93 -1.08 0.00 0.00 179.45 180.93 1se9 h GLU 36 N 0.84 0.91 -0.81 3.15 4.39 -0.41 0.92 114.58 123.58 1se9 h GLU 36 Ca 0.10 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1se9 h GLU 36 Cb 0.82 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 1se9 h GLU 36 CO 0.07 0.60 0.42 1.15 -1.16 0.00 0.00 179.01 180.10 1se9 h THR 37 N 0.94 1.24 0.07 1.13 2.02 -0.87 -1.46 112.91 115.98 1se9 h THR 37 Ca 0.38 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1se9 h THR 37 Cb 0.20 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1se9 h THR 37 CO -0.18 0.28 -0.03 0.58 0.37 0.00 0.00 175.52 176.54 1se9 h VAL 38 N 1.13 0.98 -0.54 3.16 2.07 -0.47 -1.18 116.25 121.40 1se9 h VAL 38 Ca 0.28 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.72 1se9 h VAL 38 Cb 0.07 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1se9 h VAL 38 CO -0.04 0.04 0.36 0.40 0.02 0.00 0.00 177.57 178.35 1se9 h ILE 39 N -0.16 0.96 -0.03 4.57 2.04 -0.64 0.23 117.51 124.48 1se9 h ILE 39 Ca -0.01 -0.16 -0.24 0.00 1.00 0.00 0.00 64.86 65.45 1se9 h ILE 39 Cb 0.13 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1se9 h ILE 39 CO 0.02 0.08 -0.93 0.28 0.00 0.00 0.00 178.15 177.60 1se9 h SER 40 N 0.46 0.74 1.01 1.72 0.02 -0.91 -3.31 113.55 113.29 1se9 h SER 40 Ca 0.24 -0.56 -0.18 0.00 -0.84 0.00 0.00 61.79 60.45 1se9 h SER 40 Cb 0.34 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1se9 h SER 40 CO -0.06 1.36 -1.04 -0.33 -1.14 0.00 0.00 176.83 175.61 1se9 h GLU 41 N 0.35 0.00 -6.30 3.45 4.39 -0.19 -3.45 114.58 112.83 1se9 h GLU 41 Ca -0.09 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.06 1se9 h GLU 41 Cb 1.57 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.19 1se9 h GLU 41 CO 0.17 0.58 0.56 -0.46 -1.16 0.00 0.00 179.01 178.70 1se9 s TRP 42 N -2.83 3.48 0.12 4.33 -0.11 0.72 -4.96 118.94 119.68 1se9 s TRP 42 Ca 0.00 1.53 -0.35 0.00 1.22 0.00 0.00 56.10 58.50 1se9 s TRP 42 Cb 0.09 -3.23 -0.15 0.00 -1.50 0.00 0.00 33.47 28.68 1se9 s TRP 42 CO 0.79 -0.43 1.49 -2.30 -4.62 0.00 0.00 176.95 171.89 1se9 n PRO 43 N 4.81 1.74 0.20 5.86 -0.02 -1.26 -4.87 135.00 141.45 1se9 n PRO 43 Ca 0.09 0.63 0.07 0.00 -2.02 0.00 0.00 63.50 62.26 1se9 n PRO 43 Cb 0.49 -2.34 0.35 0.00 -0.02 0.00 0.00 33.50 31.97 1se9 n PRO 43 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1se9 h ARG 44 N 5.44 0.00 -0.09 -0.52 2.43 -1.93 -2.55 114.38 117.15 1se9 h ARG 44 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1se9 h ARG 44 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1se9 h ARG 44 CO 0.84 0.34 0.00 -0.85 -1.51 0.00 0.00 179.97 178.79 1se9 n GLU 45 N -3.47 1.38 -0.79 0.20 0.28 -1.26 -4.96 120.64 112.01 1se9 n GLU 45 Ca 0.00 -0.57 -0.33 0.00 -0.16 0.00 0.00 57.16 56.10 1se9 n GLU 45 Cb 0.50 -1.33 0.12 0.00 1.43 0.00 0.00 31.44 32.16 1se9 n GLU 45 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1se9 n LYS 46 N -0.20 -0.58 0.00 3.44 0.00 -0.96 -5.02 118.16 114.84 1se9 n LYS 46 Ca 0.14 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1se9 n LYS 46 Cb 0.20 -1.70 0.00 0.00 -0.00 0.00 0.00 35.03 33.53 1se9 n LYS 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1se9 n GLU 47 N -1.22 0.86 -1.28 -1.58 4.71 -1.26 -4.78 120.64 116.09 1se9 n GLU 47 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.76 1se9 n GLU 47 Cb 0.57 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.95 1se9 n GLU 47 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1se9 n ASN 48 N -0.22 2.76 -2.23 1.62 3.02 -1.26 -4.76 115.26 114.19 1se9 n ASN 48 Ca 0.00 -2.71 -0.11 0.00 -0.03 0.00 0.00 54.58 51.74 1se9 n ASN 48 Cb 0.00 -1.22 -0.04 0.00 -0.61 0.00 0.00 39.78 37.91 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 4.52 3.44 2.93 7.41 0.00 -1.25 -4.71 105.19 117.54 1se9 n GLY 49 Ca 0.50 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 1se9 n GLY 49 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1se9 n PRO 50 N -0.35 -4.27 0.02 1.61 -0.02 -1.26 -4.05 135.00 126.68 1se9 n PRO 50 Ca 0.04 -1.27 0.00 0.00 -2.02 0.00 0.00 63.50 60.25 1se9 n PRO 50 Cb 0.33 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 -5.01 0.00 -2.62 -0.52 4.81 -1.26 -4.95 118.16 108.61 1se9 n LYS 51 Ca 0.12 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.34 1se9 n LYS 51 Cb 0.52 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.63 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 -1.11 2.50 0.21 3.15 -4.23 -1.26 -4.29 115.64 110.61 1se9 s THR 52 Ca 0.00 -0.64 -0.13 0.00 -1.18 0.00 0.00 61.69 59.74 1se9 s THR 52 Cb 0.00 -2.86 0.20 0.00 1.34 0.00 0.00 72.50 71.18 1se9 s THR 52 CO 0.00 0.00 1.65 1.62 -0.54 0.00 0.00 174.62 177.35 1se9 h VAL 53 N -0.10 0.45 0.00 2.29 3.04 -1.89 -1.16 116.25 118.88 1se9 h VAL 53 Ca -0.40 -0.02 -0.05 0.00 -1.01 0.00 0.00 66.70 65.22 1se9 h VAL 53 Cb 1.29 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 1se9 h VAL 53 CO 0.49 0.01 -0.22 0.50 -1.01 0.00 0.00 177.57 177.34 1se9 h LYS 54 N 0.05 0.00 0.01 4.17 1.63 -2.00 -3.15 116.57 117.28 1se9 h LYS 54 Ca 0.30 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.90 1se9 h LYS 54 Cb 0.47 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1se9 h LYS 54 CO -0.57 0.22 -0.90 0.93 -3.45 0.00 0.00 179.45 175.67 1se9 h GLU 55 N 0.00 0.10 -5.56 1.90 4.39 -1.61 -3.43 114.58 110.37 1se9 h GLU 55 Ca -0.00 -0.12 -0.59 0.00 0.34 0.00 0.00 59.36 58.99 1se9 h GLU 55 Cb 1.10 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.69 1se9 h GLU 55 CO 0.03 0.93 -0.23 0.08 -1.16 0.00 0.00 179.01 178.66 1se9 s VAL 56 N -3.05 5.24 -0.23 3.13 1.01 -0.62 -4.31 120.40 121.57 1se9 s VAL 56 Ca -0.01 0.72 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 1se9 s VAL 56 Cb 0.10 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1se9 s VAL 56 CO 0.82 0.34 0.07 -0.54 0.00 0.00 0.00 175.10 175.78 1se9 s LYS 57 N 0.70 3.76 -0.20 2.72 3.01 -1.18 -4.87 119.74 123.68 1se9 s LYS 57 Ca 0.20 -0.44 -0.03 0.00 -1.01 0.00 0.00 55.97 54.69 1se9 s LYS 57 Cb -0.14 -3.28 -0.01 0.00 -1.01 0.00 0.00 37.83 33.39 1se9 s LYS 57 CO 0.07 -0.03 -0.05 -1.17 0.51 0.00 0.00 175.35 174.68 1se9 s LEU 58 N 1.19 2.93 -0.14 3.17 1.98 -1.26 -0.43 118.68 126.12 1se9 s LEU 58 Ca 0.04 -0.35 0.00 0.00 -2.89 0.00 0.00 54.13 50.94 1se9 s LEU 58 Cb -0.14 -1.73 -0.01 0.00 0.66 0.00 0.00 46.19 44.96 1se9 s LEU 58 CO 0.03 0.03 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.75 1se9 s ILE 59 N 1.21 2.88 -0.15 6.68 1.01 0.17 -1.10 121.20 131.91 1se9 s ILE 59 Ca 0.03 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1se9 s ILE 59 Cb -0.14 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1se9 s ILE 59 CO -0.01 0.52 -0.15 -0.55 0.00 0.00 0.00 174.94 174.75 1se9 s SER 60 N 0.55 2.69 -1.89 3.58 0.15 0.56 -1.16 113.70 118.18 1se9 s SER 60 Ca -0.09 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1se9 s SER 60 Cb -0.16 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1se9 s SER 60 CO 0.04 -0.04 0.00 0.00 1.20 0.00 0.00 173.24 174.43 1se9 n ALA 61 N 4.70 -0.27 -0.28 5.45 0.00 -1.26 -1.11 120.51 127.74 1se9 n ALA 61 Ca -0.17 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1se9 n ALA 61 Cb 0.50 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.75 0.86 3.28 0.00 0.00 -1.26 -5.07 105.19 102.25 1se9 n GLY 62 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.72 3.19 -0.09 1.61 3.01 -0.26 -5.09 119.74 121.38 1se9 s LYS 63 Ca 0.00 -0.80 -0.30 0.00 -1.01 0.00 0.00 55.97 53.87 1se9 s LYS 63 Cb 0.00 -2.45 -0.02 0.00 -1.01 0.00 0.00 37.83 34.35 1se9 s LYS 63 CO 0.00 0.18 1.07 0.54 0.51 0.00 0.00 175.35 177.65 1se9 s VAL 64 N 0.39 4.61 0.33 3.17 0.11 -1.26 -0.32 120.40 127.42 1se9 s VAL 64 Ca -0.15 1.89 -0.19 0.00 -2.93 0.00 0.00 61.98 60.61 1se9 s VAL 64 Cb -0.17 -4.22 -0.09 0.00 -1.53 0.00 0.00 36.38 30.37 1se9 s VAL 64 CO 0.07 -0.00 0.81 -0.76 -3.33 0.00 0.00 175.10 171.89 1se9 s LEU 65 N 2.12 4.11 -0.05 2.54 1.43 -0.26 -4.97 118.68 123.60 1se9 s LEU 65 Ca 0.51 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1se9 s LEU 65 Cb -0.20 -4.10 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 1se9 s LEU 65 CO 0.19 -0.19 0.01 -0.70 0.23 0.00 0.00 176.35 175.89 1se9 s GLU 66 N -2.74 2.93 0.59 1.70 -6.30 -1.26 -4.79 118.70 108.83 1se9 s GLU 66 Ca 0.54 -0.48 0.36 0.00 -2.50 0.00 0.00 54.97 52.89 1se9 s GLU 66 Cb -0.12 -2.76 1.78 0.00 0.00 0.00 0.00 34.13 33.03 1se9 s GLU 66 CO 0.18 0.68 2.15 -2.95 0.02 0.00 0.00 175.26 175.33 1se9 h ASN 67 N 4.83 0.00 -0.03 -1.70 -0.00 -1.97 -1.63 115.58 115.07 1se9 h ASN 67 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.80 1se9 h ASN 67 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.51 1se9 h ASN 67 CO 0.56 0.03 0.00 -1.20 -0.00 0.00 0.00 177.43 176.82 1se9 n SER 68 N -3.24 1.10 -4.91 6.14 7.64 -1.26 -1.50 113.62 117.59 1se9 n SER 68 Ca -0.01 -1.40 -0.27 0.00 1.01 0.00 0.00 58.87 58.20 1se9 n SER 68 Cb 0.20 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.98 3.20 0.25 1.43 -0.14 -0.62 -4.91 119.74 116.98 1se9 s LYS 69 Ca 0.39 0.12 0.07 0.00 -1.36 0.00 0.00 55.97 55.20 1se9 s LYS 69 Cb 0.21 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 1se9 s LYS 69 CO 0.33 -0.50 0.19 0.99 -0.76 0.00 0.00 175.35 175.59 1se9 s THR 70 N -2.91 4.38 0.24 2.17 2.01 -1.26 -0.03 115.64 120.24 1se9 s THR 70 Ca 0.51 -1.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 1se9 s THR 70 Cb -0.10 -3.37 0.05 0.00 0.01 0.00 0.00 72.50 69.09 1se9 s THR 70 CO 0.46 -0.35 1.67 0.58 -0.69 0.00 0.00 174.62 176.28 1se9 h VAL 71 N 1.51 1.27 -0.80 3.82 2.07 -0.24 -2.80 116.25 121.08 1se9 h VAL 71 Ca -0.48 -1.28 0.19 0.00 0.82 0.00 0.00 66.70 65.95 1se9 h VAL 71 Cb 1.24 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1se9 h VAL 71 CO 0.61 0.42 0.54 0.50 0.02 0.00 0.00 177.57 179.67 1se9 h LYS 72 N 0.62 0.28 -0.91 1.57 3.64 -0.87 -1.17 116.57 119.73 1se9 h LYS 72 Ca 0.09 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1se9 h LYS 72 Cb 0.68 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 1se9 h LYS 72 CO 0.05 0.18 0.58 0.22 -2.27 0.00 0.00 179.45 178.22 1se9 h ASP 73 N 0.28 0.95 -0.36 4.20 1.82 -1.78 -1.84 116.42 119.69 1se9 h ASP 73 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.04 1se9 h ASP 73 Cb 1.14 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1se9 h ASP 73 CO -0.11 0.63 0.00 -1.22 -1.61 0.00 0.00 179.24 176.93 1se9 n TYR 74 N -4.54 0.46 -3.63 0.28 4.01 -0.69 -4.84 117.16 108.20 1se9 n TYR 74 Ca 0.13 -0.28 -0.40 0.00 -0.16 0.00 0.00 57.90 57.18 1se9 n TYR 74 Cb 0.13 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.04 1se9 n TYR 74 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1se9 s ARG 75 N -1.28 2.83 -0.23 -0.72 1.81 -0.53 -4.97 118.95 115.86 1se9 s ARG 75 Ca 0.33 -1.07 -0.09 0.00 -1.72 0.00 0.00 55.73 53.18 1se9 s ARG 75 Cb 0.19 -3.67 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 1se9 s ARG 75 CO 0.26 -0.67 0.11 0.45 -0.68 0.00 0.00 175.30 174.77 1se9 s SER 76 N 1.53 5.63 0.02 0.23 0.15 -1.26 -4.79 113.70 115.20 1se9 s SER 76 Ca 0.02 -0.03 -0.17 0.00 0.70 0.00 0.00 55.95 56.47 1se9 s SER 76 Cb -0.19 -2.01 -0.06 0.00 -1.71 0.00 0.00 66.02 62.05 1se9 s SER 76 CO 0.06 0.04 0.47 -2.16 1.20 0.00 0.00 173.24 172.85 1se9 s PRO 77 N 1.18 4.06 0.21 5.44 0.04 -1.26 -4.95 135.00 139.72 1se9 s PRO 77 Ca 0.06 0.54 0.10 0.00 0.04 0.00 0.00 61.00 61.74 1se9 s PRO 77 Cb -0.14 -3.25 0.08 0.00 0.04 0.00 0.00 34.50 31.23 1se9 s PRO 77 CO 0.04 0.63 1.44 -0.24 0.04 0.00 0.00 177.00 178.91 1se9 h VAL 78 N 3.73 1.43 -3.26 -0.36 3.04 -1.98 -3.46 116.25 115.39 1se9 h VAL 78 Ca -0.50 -2.70 -0.01 0.00 -1.01 0.00 0.00 66.70 62.48 1se9 h VAL 78 Cb 1.21 2.50 -0.10 0.00 -2.01 0.00 0.00 31.29 32.90 1se9 h VAL 78 CO 0.63 0.74 0.06 -0.55 -1.01 0.00 0.00 177.57 177.44 1se9 s SER 79 N -6.68 -0.28 0.06 3.17 0.15 -1.26 -5.08 113.70 103.78 1se9 s SER 79 Ca 0.01 -0.46 -0.34 0.00 0.70 0.00 0.00 55.95 55.86 1se9 s SER 79 Cb 0.10 0.59 -0.19 0.00 -1.71 0.00 0.00 66.02 64.81 1se9 s SER 79 CO 0.78 -1.07 1.58 0.78 1.20 0.00 0.00 173.24 176.50 1se9 h ASN 80 N 2.17 -0.87 -1.85 5.45 4.21 -2.02 -3.42 115.58 119.24 1se9 h ASN 80 Ca -0.28 0.02 -0.47 0.00 1.21 0.00 0.00 56.30 56.78 1se9 h ASN 80 Cb 1.26 0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 38.67 1se9 h ASN 80 CO 0.36 -0.60 -0.40 -0.76 -1.29 0.00 0.00 177.43 174.74 1se9 s LEU 81 N -10.00 3.83 -0.30 1.61 1.43 -1.26 -5.02 118.68 108.97 1se9 s LEU 81 Ca -0.18 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 1se9 s LEU 81 Cb 0.03 -2.51 0.21 0.00 0.03 0.00 0.00 46.19 43.95 1se9 s LEU 81 CO 0.60 -0.36 1.28 0.00 0.23 0.00 0.00 176.35 178.09 1se9 s ALA 82 N -2.22 -2.74 -0.62 4.21 0.00 -1.26 -4.96 121.76 114.17 1se9 s ALA 82 Ca 0.42 1.96 -0.07 0.00 0.00 0.00 0.00 51.96 54.27 1se9 s ALA 82 Cb -0.08 -2.03 -0.17 0.00 0.00 0.00 0.00 23.12 20.84 1se9 s ALA 82 CO 0.29 -0.36 3.08 0.41 0.00 0.00 0.00 175.76 179.18 1se9 n GLY 83 N 3.16 3.30 3.64 0.00 0.00 -1.26 -4.77 105.19 109.25 1se9 n GLY 83 Ca -0.16 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 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 1.74 3.14 -0.12 4.61 0.00 -1.26 -5.09 121.76 124.77 1se9 s ALA 84 Ca 0.61 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1se9 s ALA 84 Cb 0.23 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1se9 s ALA 84 CO -0.02 0.52 -0.13 0.08 0.00 0.00 0.00 175.76 176.21 1se9 s VAL 85 N -1.62 3.09 -0.18 0.00 1.01 -1.26 -3.73 120.40 117.71 1se9 s VAL 85 Ca 0.26 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1se9 s VAL 85 Cb -0.10 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1se9 s VAL 85 CO 0.17 0.53 0.09 -0.89 0.00 0.00 0.00 175.10 175.00 1se9 s THR 86 N 0.23 5.04 -0.27 3.92 2.01 0.03 -4.97 115.64 121.62 1se9 s THR 86 Ca -0.08 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1se9 s THR 86 Cb -0.15 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1se9 s THR 86 CO 0.05 0.48 0.11 -0.89 -0.69 0.00 0.00 174.62 173.68 1se9 s THR 87 N 0.17 4.53 -0.01 -0.82 2.01 -1.26 -1.05 115.64 119.22 1se9 s THR 87 Ca 0.06 -0.19 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 1se9 s THR 87 Cb -0.12 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1se9 s THR 87 CO -0.00 0.25 0.31 -0.04 -0.69 0.00 0.00 174.62 174.45 1se9 s MET 88 N 1.63 3.68 -0.24 4.92 -1.94 -0.58 -4.86 119.30 121.92 1se9 s MET 88 Ca 0.06 0.10 -0.12 0.00 -1.71 0.00 0.00 55.69 54.02 1se9 s MET 88 Cb -0.16 -3.13 -0.05 0.00 2.01 0.00 0.00 34.83 33.51 1se9 s MET 88 CO 0.05 0.67 0.22 -1.01 -0.01 0.00 0.00 175.02 174.95 1se9 s HIS 89 N -1.20 3.30 -0.22 -0.03 3.76 -0.31 -0.88 115.29 119.71 1se9 s HIS 89 Ca 0.25 0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 55.34 1se9 s HIS 89 Cb -0.14 -2.35 -0.05 0.00 1.11 0.00 0.00 32.58 31.14 1se9 s HIS 89 CO 0.13 -0.01 0.16 0.08 -0.85 0.00 0.00 174.74 174.25 1se9 s VAL 90 N 1.31 5.38 -0.26 -0.90 1.01 0.38 -0.65 120.40 126.66 1se9 s VAL 90 Ca 0.10 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.15 1se9 s VAL 90 Cb -0.14 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1se9 s VAL 90 CO 0.07 0.38 0.28 -0.63 0.00 0.00 0.00 175.10 175.20 1se9 s ILE 91 N 0.77 5.25 -0.62 2.22 -1.09 0.43 -1.63 121.20 126.53 1se9 s ILE 91 Ca 0.08 0.38 -0.22 0.00 -2.23 0.00 0.00 60.65 58.66 1se9 s ILE 91 Cb -0.12 -3.61 0.07 0.00 -1.58 0.00 0.00 42.46 37.21 1se9 s ILE 91 CO 0.02 0.23 0.91 -0.63 -1.23 0.00 0.00 174.94 174.24 1se9 s ILE 92 N 1.75 4.42 -0.31 2.92 -1.09 -1.26 -3.09 121.20 124.55 1se9 s ILE 92 Ca 0.11 -0.28 -0.03 0.00 -2.23 0.00 0.00 60.65 58.23 1se9 s ILE 92 Cb -0.15 -4.61 0.04 0.00 -1.58 0.00 0.00 42.46 36.16 1se9 s ILE 92 CO 0.09 -1.30 0.02 -1.10 -1.23 0.00 0.00 174.94 171.42 1se9 s GLN 93 N 3.82 2.51 -0.24 2.79 -0.21 -1.26 -5.06 119.66 122.01 1se9 s GLN 93 Ca 0.23 -1.22 -0.14 0.00 0.02 0.00 0.00 55.36 54.24 1se9 s GLN 93 Cb -0.17 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 1se9 s GLN 93 CO 0.12 -0.62 0.34 0.00 -2.12 0.00 0.00 175.29 173.01 1se9 s ALA 94 N 1.30 3.57 -0.06 6.09 0.00 -1.26 -4.34 121.76 127.05 1se9 s ALA 94 Ca -0.04 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1se9 s ALA 94 Cb -0.19 -2.61 -0.07 0.00 0.00 0.00 0.00 23.12 20.25 1se9 s ALA 94 CO -0.00 -0.46 1.88 -2.14 0.00 0.00 0.00 175.76 175.04 1se9 s PRO 95 N 1.64 3.94 -0.06 0.00 0.02 -1.26 -4.88 135.00 134.40 1se9 s PRO 95 Ca 0.15 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.46 1se9 s PRO 95 Cb -0.15 -4.13 0.02 0.00 0.02 0.00 0.00 34.50 30.25 1se9 s PRO 95 CO 0.08 -1.16 -0.08 0.54 -0.33 0.00 0.00 177.00 176.05 1se9 s VAL 96 N 5.07 0.82 -0.83 3.83 0.11 -1.26 -3.85 120.40 124.29 1se9 s VAL 96 Ca 0.84 -0.28 -0.17 0.00 -2.93 0.00 0.00 61.98 59.44 1se9 s VAL 96 Cb -0.36 -0.79 0.16 0.00 -1.53 0.00 0.00 36.38 33.86 1se9 s VAL 96 CO 0.36 0.29 0.91 -0.89 -3.33 0.00 0.00 175.10 172.44 1se9 s THR 97 N 0.87 5.10 -0.75 5.04 2.01 -1.26 -4.96 115.64 121.69 1se9 s THR 97 Ca -0.11 -1.84 -0.26 0.00 0.31 0.00 0.00 61.69 59.79 1se9 s THR 97 Cb -0.15 -4.61 -0.06 0.00 0.01 0.00 0.00 72.50 67.70 1se9 s THR 97 CO 0.01 -1.25 2.05 -0.70 -0.69 0.00 0.00 174.62 174.04 1se9 s GLU 98 N 1.66 2.36 0.00 4.92 2.12 -1.26 -4.48 118.70 124.03 1se9 s GLU 98 Ca 0.23 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.86 1se9 s GLU 98 Cb -0.10 -4.76 0.00 0.00 0.26 0.00 0.00 34.13 29.53 1se9 s GLU 98 CO -0.07 -3.35 0.00 1.17 -0.54 0.00 0.00 175.26 172.47 1se9 n LYS 99 N 8.97 0.00 0.00 4.30 4.81 -1.26 -5.04 118.16 129.93 1se9 n LYS 99 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1se9 n LYS 99 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 1se9 n LYS 99 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1se9 n GLU 100 N 0.00 0.00 0.00 1.64 4.07 -1.26 -5.12 120.64 119.97 1se9 n GLU 100 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1se9 n GLU 100 Cb 0.00 -0.35 0.00 0.00 -0.06 0.00 0.00 31.44 31.03 1se9 n GLU 100 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24