#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 3.40 0.19 -1.84 0.00 -1.26 -5.03 121.76 117.22 1se9 s ALA 2 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 1se9 s ALA 2 Cb 0.00 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 1se9 s ALA 2 CO 0.00 0.36 1.24 -1.83 0.00 0.00 0.00 175.76 175.53 1se9 s GLU 3 N -2.51 4.45 -0.11 0.00 1.03 -1.26 -4.34 118.70 115.97 1se9 s GLU 3 Ca 0.48 1.94 -0.05 0.00 0.03 0.00 0.00 54.97 57.37 1se9 s GLU 3 Cb -0.13 -3.23 0.02 0.00 -0.80 0.00 0.00 34.13 29.99 1se9 s GLU 3 CO 0.19 -0.15 0.09 1.55 -1.33 0.00 0.00 175.26 175.61 1se9 n VAL 4 N 2.59 -6.87 -2.40 1.83 3.14 -1.26 -4.79 118.33 110.57 1se9 n VAL 4 Ca 0.05 1.32 -0.38 0.00 -2.96 0.00 0.00 64.34 62.38 1se9 n VAL 4 Cb 0.44 -4.61 -0.02 0.00 -1.06 0.00 0.00 33.84 28.59 1se9 n VAL 4 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 1se9 s HIS 5 N -0.59 2.47 -0.69 1.45 -3.43 -1.26 -4.81 115.29 108.43 1se9 s HIS 5 Ca -0.11 -0.84 0.01 0.00 -0.80 0.00 0.00 55.06 53.32 1se9 s HIS 5 Cb 0.01 -4.49 0.17 0.00 -1.43 0.00 0.00 32.58 26.83 1se9 s HIS 5 CO 0.39 -1.63 0.49 -0.80 -2.00 0.00 0.00 174.74 171.20 1se9 s ASN 6 N 5.12 5.11 0.00 7.38 0.01 -1.26 -5.00 114.94 126.30 1se9 s ASN 6 Ca 0.58 -3.34 0.00 0.00 -0.71 0.00 0.00 52.86 49.40 1se9 s ASN 6 Cb 0.02 -1.77 0.00 0.00 0.41 0.00 0.00 41.25 39.91 1se9 s ASN 6 CO 0.08 -0.23 0.00 0.00 -1.51 0.00 0.00 177.10 175.44 1se9 n GLN 7 N 2.77 1.75 -3.46 -0.60 3.00 -1.26 -4.78 117.38 114.80 1se9 n GLN 7 Ca 0.13 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.75 1se9 n GLN 7 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.52 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 4.20 0.07 1.08 1.02 -1.18 -4.73 118.68 119.15 1se9 s LEU 8 Ca 0.00 0.51 -0.16 0.00 0.02 0.00 0.00 54.13 54.50 1se9 s LEU 8 Cb 0.00 -2.44 -0.06 0.00 0.02 0.00 0.00 46.19 43.70 1se9 s LEU 8 CO 0.00 0.01 0.50 -1.61 0.02 0.00 0.00 176.35 175.28 1se9 s GLU 9 N 0.88 4.03 -0.04 1.70 2.02 -1.25 -0.14 118.70 125.91 1se9 s GLU 9 Ca 0.18 0.54 0.05 0.00 0.02 0.00 0.00 54.97 55.76 1se9 s GLU 9 Cb -0.14 -3.14 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1se9 s GLU 9 CO 0.06 0.61 -0.18 0.42 0.02 0.00 0.00 175.26 176.19 1se9 s ILE 10 N -1.21 1.48 0.15 -1.63 1.01 0.55 0.59 121.20 122.15 1se9 s ILE 10 Ca 0.30 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 60.29 1se9 s ILE 10 Cb -0.17 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1se9 s ILE 10 CO 0.17 0.42 -0.23 -1.59 0.00 0.00 0.00 174.94 173.72 1se9 s LYS 11 N -0.12 1.35 -0.23 2.79 -2.85 0.24 -1.30 119.74 119.63 1se9 s LYS 11 Ca -0.00 -1.37 -0.08 0.00 -1.00 0.00 0.00 55.97 53.51 1se9 s LYS 11 Cb -0.10 -1.65 -0.04 0.00 -2.06 0.00 0.00 37.83 33.98 1se9 s LYS 11 CO 0.01 0.37 0.08 -0.06 0.10 0.00 0.00 175.35 175.86 1se9 s PHE 12 N -1.48 3.16 -0.20 1.78 0.08 -1.21 -0.72 117.98 119.39 1se9 s PHE 12 Ca 0.15 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.00 1se9 s PHE 12 Cb -0.08 -2.20 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1se9 s PHE 12 CO 0.07 -0.14 -0.03 1.03 -0.10 0.00 0.00 175.22 176.05 1se9 s ARG 13 N 1.17 3.48 0.57 0.44 0.52 0.96 0.08 118.95 126.18 1se9 s ARG 13 Ca 0.05 -0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 54.51 1se9 s ARG 13 Cb -0.14 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 1se9 s ARG 13 CO 0.04 -0.06 1.06 -0.51 0.02 0.00 0.00 175.30 175.85 1se9 s LEU 14 N 1.15 3.57 0.60 2.53 1.02 0.13 -0.14 118.68 127.53 1se9 s LEU 14 Ca 0.02 1.88 0.30 0.00 0.02 0.00 0.00 54.13 56.35 1se9 s LEU 14 Cb -0.15 -4.54 1.76 0.00 0.02 0.00 0.00 46.19 43.29 1se9 s LEU 14 CO -0.00 -1.13 2.16 0.00 0.02 0.00 0.00 176.35 177.39 1se9 h THR 15 N 0.67 0.43 -0.00 5.49 1.03 -1.19 0.69 112.91 120.03 1se9 h THR 15 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1se9 h THR 15 Cb 1.23 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1se9 h THR 15 CO 0.57 0.00 -0.01 -0.90 -0.01 0.00 0.00 175.52 175.17 1se9 n ASP 16 N -3.72 0.25 0.00 0.00 5.68 -1.26 -4.89 116.55 112.60 1se9 n ASP 16 Ca -0.00 -0.88 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1se9 n ASP 16 Cb 0.24 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1se9 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1se9 n GLY 17 N 1.10 0.71 3.86 6.12 0.00 0.23 -5.07 105.19 112.14 1se9 n GLY 17 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 6.72 0.17 1.61 0.01 -1.25 -4.88 113.70 113.43 1se9 s SER 18 Ca 0.00 0.89 0.09 0.00 1.31 0.00 0.00 55.95 58.25 1se9 s SER 18 Cb 0.00 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1se9 s SER 18 CO 0.00 0.19 -0.20 1.51 0.41 0.00 0.00 173.24 175.14 1se9 s ASP 19 N -1.62 2.93 -0.07 2.44 -4.77 -1.26 0.20 116.67 114.52 1se9 s ASP 19 Ca 0.32 -0.86 -0.01 0.00 -3.30 0.00 0.00 52.55 48.70 1se9 s ASP 19 Cb -0.15 -0.19 -0.03 0.00 -1.09 0.00 0.00 42.92 41.46 1se9 s ASP 19 CO 0.17 0.02 0.01 -0.63 0.70 0.00 0.00 175.17 175.45 1se9 s ILE 20 N -1.90 4.35 0.37 2.11 1.01 0.11 -4.99 121.20 122.27 1se9 s ILE 20 Ca 0.17 -0.30 -0.27 0.00 0.00 0.00 0.00 60.65 60.25 1se9 s ILE 20 Cb -0.07 -2.86 -0.12 0.00 0.01 0.00 0.00 42.46 39.43 1se9 s ILE 20 CO 0.08 0.55 1.19 0.61 0.00 0.00 0.00 174.94 177.37 1se9 n GLY 21 N 1.94 0.31 3.77 6.18 0.00 -1.26 -3.31 105.19 112.82 1se9 n GLY 21 Ca -0.18 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.95 3.79 0.16 1.61 0.04 -1.26 -4.69 135.00 132.70 1se9 s PRO 22 Ca 0.59 1.87 0.07 0.00 0.04 0.00 0.00 61.00 63.57 1se9 s PRO 22 Cb -0.57 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 1se9 s PRO 22 CO 0.60 -0.55 -0.15 0.21 0.04 0.00 0.00 177.00 177.14 1se9 s LYS 23 N -2.58 1.20 -0.13 4.56 2.20 -0.42 -4.91 119.74 119.67 1se9 s LYS 23 Ca 0.62 -1.41 -0.22 0.00 -0.36 0.00 0.00 55.97 54.60 1se9 s LYS 23 Cb -0.31 -1.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.88 1se9 s LYS 23 CO 0.38 0.20 0.64 0.00 -0.36 0.00 0.00 175.35 176.22 1se9 s ALA 24 N -2.42 3.45 -0.16 3.13 0.00 -1.26 -0.33 121.76 124.16 1se9 s ALA 24 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1se9 s ALA 24 Cb -0.04 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1se9 s ALA 24 CO 0.05 -0.28 -0.10 -0.06 0.00 0.00 0.00 175.76 175.37 1se9 s PHE 25 N 1.25 2.07 0.63 0.00 0.40 0.80 -4.92 117.98 118.21 1se9 s PHE 25 Ca 0.32 -1.26 -0.19 0.00 -0.60 0.00 0.00 56.93 55.21 1se9 s PHE 25 Cb -0.16 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1se9 s PHE 25 CO 0.13 -0.66 1.29 -2.14 0.70 0.00 0.00 175.22 174.54 1se9 s PRO 26 N 1.51 2.68 0.54 0.24 0.02 -1.26 -3.08 135.00 135.65 1se9 s PRO 26 Ca 0.02 2.05 0.24 0.00 0.02 0.00 0.00 61.00 63.34 1se9 s PRO 26 Cb -0.14 -1.90 1.53 0.00 0.02 0.00 0.00 34.50 34.00 1se9 s PRO 26 CO -0.09 -1.50 2.16 -0.44 -0.33 0.00 0.00 177.00 176.80 1se9 h ASP 27 N 0.70 0.00 0.17 2.53 3.32 -1.93 -1.41 116.42 119.79 1se9 h ASP 27 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1se9 h ASP 27 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1se9 h ASP 27 CO 0.54 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.11 1se9 n ALA 28 N -2.38 2.59 -1.92 3.45 0.00 -1.26 -0.16 120.51 120.83 1se9 n ALA 28 Ca -0.03 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 1se9 n ALA 28 Cb 0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.18 3.10 0.43 0.00 2.01 -0.53 -4.85 115.64 113.63 1se9 s THR 29 Ca 0.41 0.97 -0.21 0.00 0.31 0.00 0.00 61.69 63.17 1se9 s THR 29 Cb 0.21 -3.62 -0.11 0.00 0.01 0.00 0.00 72.50 68.99 1se9 s THR 29 CO 0.39 0.17 0.95 0.42 -0.69 0.00 0.00 174.62 175.86 1se9 s THR 30 N -0.30 4.40 0.42 -0.82 -4.23 -1.26 -0.01 115.64 113.84 1se9 s THR 30 Ca 0.54 1.47 0.23 0.00 -1.18 0.00 0.00 61.69 62.74 1se9 s THR 30 Cb -0.37 -3.61 0.25 0.00 1.34 0.00 0.00 72.50 70.11 1se9 s THR 30 CO 0.42 -0.34 2.03 0.58 -0.54 0.00 0.00 174.62 176.77 1se9 h VAL 31 N 1.85 0.78 -0.23 2.29 2.07 -0.54 -1.12 116.25 121.35 1se9 h VAL 31 Ca -0.49 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1se9 h VAL 31 Cb 1.18 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1se9 h VAL 31 CO 0.61 0.15 0.05 0.28 0.02 0.00 0.00 177.57 178.68 1se9 h SER 32 N 0.00 0.02 0.11 0.57 0.02 -1.65 0.34 113.55 112.96 1se9 h SER 32 Ca -0.00 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1se9 h SER 32 Cb 0.36 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1se9 h SER 32 CO 0.02 0.04 -0.42 0.00 -1.14 0.00 0.00 176.83 175.33 1se9 h ALA 33 N 1.16 0.97 -0.30 3.77 0.00 -1.71 -0.70 119.26 122.46 1se9 h ALA 33 Ca 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1se9 h ALA 33 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1se9 h ALA 33 CO -0.13 0.62 0.11 1.25 0.00 0.00 0.00 179.25 181.11 1se9 h LEU 34 N 0.32 0.41 -0.55 0.00 5.85 -0.82 0.15 115.31 120.66 1se9 h LEU 34 Ca 0.03 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1se9 h LEU 34 Cb 0.88 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1se9 h LEU 34 CO 0.07 0.47 0.27 0.50 -0.34 0.00 0.00 178.44 179.41 1se9 h LYS 35 N 0.33 0.80 -0.74 1.25 3.64 -0.11 -2.08 116.57 119.65 1se9 h LYS 35 Ca 0.10 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1se9 h LYS 35 Cb 0.19 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1se9 h LYS 35 CO -0.01 0.65 0.48 0.93 -2.27 0.00 0.00 179.45 179.23 1se9 h GLU 36 N 0.75 0.93 -0.86 1.90 4.39 -0.85 -2.59 114.58 118.25 1se9 h GLU 36 Ca 0.19 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.91 1se9 h GLU 36 Cb 0.11 -0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 28.49 1se9 h GLU 36 CO -0.02 0.62 0.53 1.15 -1.16 0.00 0.00 179.01 180.12 1se9 h THR 37 N 0.96 1.00 -0.53 1.13 2.02 -0.05 -1.53 112.91 115.91 1se9 h THR 37 Ca 0.29 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1se9 h THR 37 Cb -0.05 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 1se9 h THR 37 CO -0.09 0.17 0.17 0.58 0.37 0.00 0.00 175.52 176.72 1se9 h VAL 38 N 0.93 1.23 -0.34 3.16 2.07 -1.05 -2.27 116.25 119.98 1se9 h VAL 38 Ca 0.39 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1se9 h VAL 38 Cb 0.24 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1se9 h VAL 38 CO -0.20 0.29 0.18 0.40 0.02 0.00 0.00 177.57 178.26 1se9 h ILE 39 N 0.73 1.11 -0.01 4.57 1.08 -0.98 0.38 117.51 124.38 1se9 h ILE 39 Ca 0.17 -0.29 -0.19 0.00 -0.39 0.00 0.00 64.86 64.16 1se9 h ILE 39 Cb 0.27 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 1se9 h ILE 39 CO -0.01 0.12 -0.83 0.28 -0.69 0.00 0.00 178.15 177.03 1se9 h SER 40 N 0.47 0.28 0.46 1.72 0.02 -1.10 -3.29 113.55 112.12 1se9 h SER 40 Ca 0.12 -0.22 -0.29 0.00 -0.84 0.00 0.00 61.79 60.57 1se9 h SER 40 Cb 0.03 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.50 1se9 h SER 40 CO -0.02 0.99 -1.29 -0.33 -1.14 0.00 0.00 176.83 175.05 1se9 h GLU 41 N 0.13 0.39 -6.62 3.45 4.39 -0.58 -3.45 114.58 112.29 1se9 h GLU 41 Ca -0.04 -0.63 -0.53 0.00 0.34 0.00 0.00 59.36 58.51 1se9 h GLU 41 Cb 1.44 0.23 0.03 0.00 -0.10 0.00 0.00 28.75 30.34 1se9 h GLU 41 CO 0.13 1.29 0.65 -0.46 -1.16 0.00 0.00 179.01 179.46 1se9 s TRP 42 N -2.72 3.29 -0.06 4.33 -0.11 0.12 -4.94 118.94 118.85 1se9 s TRP 42 Ca -0.06 1.17 -0.30 0.00 1.22 0.00 0.00 56.10 58.14 1se9 s TRP 42 Cb 0.06 -3.59 -0.06 0.00 -1.50 0.00 0.00 33.47 28.38 1se9 s TRP 42 CO 0.91 -1.89 1.77 -2.14 -4.62 0.00 0.00 176.95 170.98 1se9 s PRO 43 N 0.36 4.05 0.47 5.86 0.02 -1.26 -4.86 135.00 139.65 1se9 s PRO 43 Ca 0.59 2.23 0.27 0.00 0.02 0.00 0.00 61.00 64.11 1se9 s PRO 43 Cb -0.35 -4.07 0.97 0.00 0.02 0.00 0.00 34.50 31.07 1se9 s PRO 43 CO 0.35 -1.01 1.84 0.07 -0.33 0.00 0.00 177.00 177.91 1se9 h ARG 44 N 10.33 0.00 0.00 5.54 0.11 -1.90 -2.27 114.38 126.20 1se9 h ARG 44 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1se9 h ARG 44 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1se9 h ARG 44 CO 0.96 0.14 0.00 -0.85 0.10 0.00 0.00 179.97 180.31 1se9 n GLU 45 N -3.25 0.14 -2.10 0.08 0.28 -1.26 -4.78 120.64 109.75 1se9 n GLU 45 Ca 0.01 0.37 -0.42 0.00 -0.16 0.00 0.00 57.16 56.96 1se9 n GLU 45 Cb 0.41 -1.77 -0.03 0.00 1.43 0.00 0.00 31.44 31.48 1se9 n GLU 45 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1se9 s LYS 46 N -3.23 4.22 0.06 3.44 2.20 -0.86 -5.00 119.74 120.58 1se9 s LYS 46 Ca 0.05 2.10 -0.06 0.00 -0.36 0.00 0.00 55.97 57.69 1se9 s LYS 46 Cb 0.09 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1se9 s LYS 46 CO 0.36 -0.72 0.32 -1.21 -0.36 0.00 0.00 175.35 173.75 1se9 s GLU 47 N 3.12 3.62 -0.54 4.03 0.41 -1.26 -4.66 118.70 123.43 1se9 s GLU 47 Ca 0.69 -0.05 -0.06 0.00 -0.41 0.00 0.00 54.97 55.13 1se9 s GLU 47 Cb -0.33 -3.00 0.01 0.00 -1.78 0.00 0.00 34.13 29.03 1se9 s GLU 47 CO 0.28 0.58 0.59 -1.71 -0.49 0.00 0.00 175.26 174.50 1se9 n ASN 48 N 0.75 -7.27 0.00 -0.19 5.15 -1.26 -5.03 115.26 107.40 1se9 n ASN 48 Ca -0.08 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1se9 n ASN 48 Cb 0.52 -4.90 0.00 0.00 -0.53 0.00 0.00 39.78 34.87 1se9 n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1se9 n GLY 49 N -1.08 1.59 3.30 8.20 0.00 -1.26 -5.13 105.19 110.80 1se9 n GLY 49 Ca 0.05 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.86 -2.47 0.00 1.61 -0.02 -1.26 -4.91 135.00 127.09 1se9 n PRO 50 Ca 0.00 -0.71 0.00 0.00 -2.02 0.00 0.00 63.50 60.77 1se9 n PRO 50 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1se9 n PRO 50 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1se9 n LYS 51 N -3.53 0.00 -3.82 -0.52 2.85 -1.26 -4.91 118.16 106.98 1se9 n LYS 51 Ca 0.03 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.08 1se9 n LYS 51 Cb 0.57 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.91 1se9 n LYS 51 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1se9 s THR 52 N 0.00 3.87 0.22 0.58 -4.23 -1.26 -4.89 115.64 109.93 1se9 s THR 52 Ca 0.00 -1.30 -0.08 0.00 -1.18 0.00 0.00 61.69 59.14 1se9 s THR 52 Cb 0.00 -3.29 0.17 0.00 1.34 0.00 0.00 72.50 70.72 1se9 s THR 52 CO 0.00 -0.21 1.82 1.62 -0.54 0.00 0.00 174.62 177.31 1se9 h VAL 53 N 1.23 0.98 0.00 2.29 3.04 -1.96 -2.47 116.25 119.36 1se9 h VAL 53 Ca -0.46 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1se9 h VAL 53 Cb 1.25 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1se9 h VAL 53 CO 0.58 0.14 0.00 0.07 -1.01 0.00 0.00 177.57 177.35 1se9 h LYS 54 N 0.78 0.00 0.00 4.17 2.10 -1.98 -3.24 116.57 118.40 1se9 h LYS 54 Ca 0.33 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.76 1se9 h LYS 54 Cb 0.20 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.49 1se9 h LYS 54 CO -0.18 0.00 -1.06 0.93 -2.00 0.00 0.00 179.45 177.14 1se9 h GLU 55 N 0.00 0.00 -5.69 0.07 5.08 -1.77 -3.45 114.58 108.82 1se9 h GLU 55 Ca 0.00 -0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1se9 h GLU 55 Cb 0.64 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 1se9 h GLU 55 CO 0.00 0.96 -0.24 0.54 -1.00 0.00 0.00 179.01 179.27 1se9 s VAL 56 N -2.70 5.21 -0.16 3.13 0.11 -1.22 -4.16 120.40 120.60 1se9 s VAL 56 Ca 0.01 0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 59.77 1se9 s VAL 56 Cb 0.10 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 31.23 1se9 s VAL 56 CO 0.82 0.42 -0.10 -0.54 -3.33 0.00 0.00 175.10 172.37 1se9 s LYS 57 N 0.12 3.40 -0.25 1.54 3.01 -1.24 -5.05 119.74 121.28 1se9 s LYS 57 Ca 0.21 -0.65 -0.10 0.00 -1.01 0.00 0.00 55.97 54.42 1se9 s LYS 57 Cb -0.14 -2.78 -0.05 0.00 -1.01 0.00 0.00 37.83 33.85 1se9 s LYS 57 CO 0.08 0.07 0.15 -0.51 0.51 0.00 0.00 175.35 175.66 1se9 s LEU 58 N 0.74 4.02 -0.09 3.17 2.01 -1.26 -2.31 118.68 124.96 1se9 s LEU 58 Ca -0.04 0.06 0.00 0.00 0.01 0.00 0.00 54.13 54.16 1se9 s LEU 58 Cb -0.15 -2.09 0.02 0.00 0.01 0.00 0.00 46.19 43.98 1se9 s LEU 58 CO 0.02 0.04 -0.08 -0.63 1.01 0.00 0.00 176.35 176.70 1se9 s ILE 59 N 1.22 0.95 -0.05 -0.59 1.01 0.04 -0.23 121.20 123.55 1se9 s ILE 59 Ca 0.07 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1se9 s ILE 59 Cb -0.14 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.40 1se9 s ILE 59 CO 0.06 0.34 -0.08 -0.55 0.00 0.00 0.00 174.94 174.71 1se9 s SER 60 N 1.33 1.27 -1.65 3.58 0.15 -0.13 -2.02 113.70 116.22 1se9 s SER 60 Ca -0.03 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1se9 s SER 60 Cb -0.14 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1se9 s SER 60 CO -0.03 -0.01 0.00 0.00 1.20 0.00 0.00 173.24 174.39 1se9 n ALA 61 N 3.89 -0.24 -1.29 5.45 0.00 -1.26 -1.38 120.51 125.68 1se9 n ALA 61 Ca -0.24 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1se9 n ALA 61 Cb 0.51 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.83 0.56 2.92 0.00 0.00 -1.26 -5.05 105.19 101.53 1se9 n GLY 62 Ca -0.16 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.67 1.33 0.14 1.61 2.20 -0.48 -5.11 119.74 116.76 1se9 s LYS 63 Ca 0.00 -0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.08 1se9 s LYS 63 Cb 0.00 -1.31 -0.07 0.00 -1.51 0.00 0.00 37.83 34.95 1se9 s LYS 63 CO 0.00 -0.14 1.14 0.54 -0.36 0.00 0.00 175.35 176.52 1se9 s VAL 64 N 1.26 3.91 -0.53 4.02 0.11 -1.26 -0.95 120.40 126.96 1se9 s VAL 64 Ca -0.04 1.55 -0.27 0.00 -2.93 0.00 0.00 61.98 60.28 1se9 s VAL 64 Cb -0.14 -3.99 0.03 0.00 -1.53 0.00 0.00 36.38 30.76 1se9 s VAL 64 CO -0.03 0.22 1.09 -0.76 -3.33 0.00 0.00 175.10 172.29 1se9 s LEU 65 N 0.10 3.70 0.28 2.54 1.02 0.68 -4.96 118.68 122.04 1se9 s LEU 65 Ca 0.53 0.14 -0.29 0.00 0.02 0.00 0.00 54.13 54.52 1se9 s LEU 65 Cb -0.30 -3.23 -0.10 0.00 0.02 0.00 0.00 46.19 42.59 1se9 s LEU 65 CO 0.33 -1.30 1.18 -0.70 0.02 0.00 0.00 176.35 175.88 1se9 s GLU 66 N 4.44 4.53 0.57 1.70 2.56 -1.26 -4.72 118.70 126.52 1se9 s GLU 66 Ca 0.41 1.95 0.35 0.00 0.00 0.00 0.00 54.97 57.68 1se9 s GLU 66 Cb -0.09 -3.16 1.64 0.00 2.00 0.00 0.00 34.13 34.53 1se9 s GLU 66 CO 0.27 0.04 2.10 -2.95 -0.56 0.00 0.00 175.26 174.15 1se9 h ASN 67 N 3.89 0.00 0.00 -1.70 -1.07 -1.95 -2.28 115.58 112.47 1se9 h ASN 67 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 1se9 h ASN 67 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1se9 h ASN 67 CO 0.68 0.04 0.00 -0.24 0.07 0.00 0.00 177.43 177.98 1se9 n SER 68 N -3.23 0.00 -4.65 6.14 2.88 -1.26 -2.20 113.62 111.30 1se9 n SER 68 Ca -0.01 -1.24 -0.25 0.00 -1.33 0.00 0.00 58.87 56.03 1se9 n SER 68 Cb 0.24 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.61 1se9 n SER 68 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1se9 s LYS 69 N -2.00 2.06 0.46 -1.46 1.02 -0.86 -5.00 119.74 113.97 1se9 s LYS 69 Ca 0.30 -1.87 0.08 0.00 0.02 0.00 0.00 55.97 54.50 1se9 s LYS 69 Cb 0.14 -1.85 0.01 0.00 -0.52 0.00 0.00 37.83 35.60 1se9 s LYS 69 CO 0.23 0.03 0.46 0.95 -0.92 0.00 0.00 175.35 176.11 1se9 s THR 70 N -2.59 2.42 0.31 2.17 -4.23 -1.26 -0.04 115.64 112.42 1se9 s THR 70 Ca 0.36 -1.29 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1se9 s THR 70 Cb 0.03 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 71.27 1se9 s THR 70 CO 0.20 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.65 1se9 h VAL 71 N 0.82 1.23 -0.73 2.29 2.07 -0.40 -2.61 116.25 118.92 1se9 h VAL 71 Ca -0.39 -1.05 0.15 0.00 0.82 0.00 0.00 66.70 66.24 1se9 h VAL 71 Cb 1.28 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1se9 h VAL 71 CO 0.54 0.34 0.49 0.50 0.02 0.00 0.00 177.57 179.46 1se9 h LYS 72 N 0.44 0.36 -0.08 1.57 3.64 -0.78 0.22 116.57 121.95 1se9 h LYS 72 Ca 0.08 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1se9 h LYS 72 Cb 0.51 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1se9 h LYS 72 CO 0.03 0.24 0.06 -0.44 -2.27 0.00 0.00 179.45 177.07 1se9 h ASP 73 N 0.37 0.00 -0.01 4.20 5.19 -1.74 -2.34 116.42 122.10 1se9 h ASP 73 Ca 0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.77 1se9 h ASP 73 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1se9 h ASP 73 CO -0.11 0.00 -0.17 -1.22 -3.12 0.00 0.00 179.24 174.63 1se9 n TYR 74 N -4.36 0.00 -2.51 4.55 4.02 -0.01 -5.03 117.16 113.83 1se9 n TYR 74 Ca -0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.64 1se9 n TYR 74 Cb 0.17 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.58 1se9 n TYR 74 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1se9 s ARG 75 N -1.32 1.83 0.49 -0.72 1.81 -0.72 -5.10 118.95 115.22 1se9 s ARG 75 Ca 0.10 -0.91 -0.06 0.00 -1.72 0.00 0.00 55.73 53.14 1se9 s ARG 75 Cb 0.09 -2.31 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 1se9 s ARG 75 CO 0.24 -1.35 0.81 -1.12 -0.68 0.00 0.00 175.30 173.20 1se9 s SER 76 N -4.66 6.28 1.31 0.23 0.01 -1.26 -4.99 113.70 110.61 1se9 s SER 76 Ca 0.64 1.00 -0.18 0.00 1.31 0.00 0.00 55.95 58.72 1se9 s SER 76 Cb -0.07 -2.28 0.27 0.00 0.21 0.00 0.00 66.02 64.16 1se9 s SER 76 CO 0.44 -0.59 0.74 -2.65 0.41 0.00 0.00 173.24 171.59 1se9 n PRO 77 N -2.22 -3.63 0.00 12.44 -0.02 -1.26 -4.87 135.00 135.44 1se9 n PRO 77 Ca 0.01 -1.22 0.11 0.00 -2.02 0.00 0.00 63.50 60.38 1se9 n PRO 77 Cb 0.55 -1.39 0.64 0.00 -0.02 0.00 0.00 33.50 33.27 1se9 n PRO 77 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1se9 n VAL 78 N -4.86 0.09 0.65 -1.45 0.31 -1.26 -2.95 118.33 108.86 1se9 n VAL 78 Ca 0.11 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1se9 n VAL 78 Cb 0.46 -0.67 0.07 0.00 -0.91 0.00 0.00 33.84 32.79 1se9 n VAL 78 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1se9 n SER 79 N -1.08 2.05 -4.03 4.52 3.41 -1.26 -4.68 113.62 112.54 1se9 n SER 79 Ca 0.15 -2.18 -0.18 0.00 -0.26 0.00 0.00 58.87 56.40 1se9 n SER 79 Cb 0.10 -0.54 -0.14 0.00 -0.26 0.00 0.00 64.21 63.37 1se9 n SER 79 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1se9 s ASN 80 N -0.02 1.05 0.82 4.04 2.47 -1.15 -5.15 114.94 117.00 1se9 s ASN 80 Ca 0.10 -0.22 -0.06 0.00 0.42 0.00 0.00 52.86 53.09 1se9 s ASN 80 Cb 0.08 -0.10 0.16 0.00 -1.45 0.00 0.00 41.25 39.94 1se9 s ASN 80 CO 0.03 0.07 1.00 0.18 -3.72 0.00 0.00 177.10 174.66 1se9 n LEU 81 N 2.64 0.00 -1.12 3.21 4.77 -1.26 -4.96 117.00 120.28 1se9 n LEU 81 Ca -0.15 -1.63 0.01 0.00 -0.03 0.00 0.00 56.01 54.21 1se9 n LEU 81 Cb 0.57 -0.71 0.15 0.00 -2.33 0.00 0.00 43.42 41.10 1se9 n LEU 81 CO 0.24 -1.10 0.54 0.00 -1.33 0.00 0.00 177.39 175.75 1se9 n ALA 82 N -3.26 3.15 1.01 -1.18 0.00 -1.26 -3.71 120.51 115.27 1se9 n ALA 82 Ca -0.16 -0.83 0.11 0.00 0.00 0.00 0.00 53.44 52.56 1se9 n ALA 82 Cb 0.52 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 0.20 -0.29 3.60 0.00 0.00 -1.26 -4.60 105.19 102.85 1se9 n GLY 83 Ca 0.13 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.62 3.48 0.08 4.61 0.00 -1.24 -5.03 121.76 121.04 1se9 s ALA 84 Ca 0.16 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.49 1se9 s ALA 84 Cb 0.18 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 1se9 s ALA 84 CO 0.65 -1.33 0.37 0.54 0.00 0.00 0.00 175.76 175.99 1se9 s VAL 85 N 3.00 5.15 -0.05 0.00 0.11 -1.26 -3.77 120.40 123.58 1se9 s VAL 85 Ca 0.31 0.31 0.06 0.00 -2.93 0.00 0.00 61.98 59.73 1se9 s VAL 85 Cb -0.14 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.07 1se9 s VAL 85 CO 0.15 0.25 -0.24 -0.89 -3.33 0.00 0.00 175.10 171.04 1se9 s THR 86 N -1.44 2.19 -0.21 5.04 2.01 0.20 -4.96 115.64 118.46 1se9 s THR 86 Ca 0.34 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 1se9 s THR 86 Cb -0.13 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.59 1se9 s THR 86 CO 0.19 0.57 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.70 1se9 s THR 87 N -0.27 2.81 0.00 -0.82 2.01 -1.26 -0.59 115.64 117.52 1se9 s THR 87 Ca -0.00 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.30 1se9 s THR 87 Cb -0.13 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1se9 s THR 87 CO 0.03 0.42 -0.17 -0.32 -0.69 0.00 0.00 174.62 173.88 1se9 s MET 88 N 1.38 2.24 0.19 4.92 0.00 0.10 -4.95 119.30 123.18 1se9 s MET 88 Ca 0.04 -0.87 -0.25 0.00 0.00 0.00 0.00 55.69 54.62 1se9 s MET 88 Cb -0.14 -2.24 -0.08 0.00 0.00 0.00 0.00 34.83 32.36 1se9 s MET 88 CO -0.07 0.57 0.78 -1.01 0.00 0.00 0.00 175.02 175.30 1se9 s HIS 89 N -0.82 3.85 -0.20 4.11 3.76 -0.86 -0.03 115.29 125.11 1se9 s HIS 89 Ca 0.13 1.61 -0.02 0.00 -0.15 0.00 0.00 55.06 56.63 1se9 s HIS 89 Cb -0.10 -2.76 0.00 0.00 1.11 0.00 0.00 32.58 30.83 1se9 s HIS 89 CO 0.03 0.46 -0.10 0.08 -0.85 0.00 0.00 174.74 174.36 1se9 s VAL 90 N -1.24 2.87 -0.15 -0.90 1.01 0.80 -0.78 120.40 122.00 1se9 s VAL 90 Ca 0.38 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1se9 s VAL 90 Cb -0.22 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1se9 s VAL 90 CO 0.25 0.47 0.08 -0.63 0.00 0.00 0.00 175.10 175.28 1se9 s ILE 91 N 1.38 5.01 -0.49 2.22 1.01 -0.98 -0.65 121.20 128.69 1se9 s ILE 91 Ca 0.05 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.50 1se9 s ILE 91 Cb -0.14 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.16 1se9 s ILE 91 CO -0.07 0.54 0.84 -0.63 0.00 0.00 0.00 174.94 175.62 1se9 s ILE 92 N -0.31 4.55 -0.26 2.92 -1.09 -1.26 -3.67 121.20 122.08 1se9 s ILE 92 Ca 0.09 0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.84 1se9 s ILE 92 Cb -0.12 -4.41 0.05 0.00 -1.58 0.00 0.00 42.46 36.40 1se9 s ILE 92 CO 0.01 -0.89 -0.09 -1.10 -1.23 0.00 0.00 174.94 171.65 1se9 s GLN 93 N 3.52 2.36 -0.17 2.79 -0.21 -1.26 -5.07 119.66 121.62 1se9 s GLN 93 Ca 0.29 -1.28 -0.13 0.00 0.02 0.00 0.00 55.36 54.27 1se9 s GLN 93 Cb -0.13 -2.94 -0.05 0.00 1.00 0.00 0.00 33.01 30.90 1se9 s GLN 93 CO 0.21 -0.55 0.25 0.00 -2.12 0.00 0.00 175.29 173.08 1se9 s ALA 94 N 1.16 3.61 0.57 6.09 0.00 -1.26 -4.75 121.76 127.18 1se9 s ALA 94 Ca -0.07 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 1se9 s ALA 94 Cb -0.19 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1se9 s ALA 94 CO -0.05 0.10 1.05 -1.25 0.00 0.00 0.00 175.76 175.61 1se9 s PRO 95 N 0.46 3.45 -0.66 0.00 0.04 -1.26 -4.98 135.00 132.05 1se9 s PRO 95 Ca 0.14 1.22 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 1se9 s PRO 95 Cb -0.12 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1se9 s PRO 95 CO 0.02 -0.71 1.30 0.08 0.04 0.00 0.00 177.00 177.74 1se9 s VAL 96 N -2.38 3.80 -0.35 -0.36 1.01 -1.26 -4.21 120.40 116.65 1se9 s VAL 96 Ca 0.64 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 63.11 1se9 s VAL 96 Cb -0.16 -4.74 0.01 0.00 0.00 0.00 0.00 36.38 31.50 1se9 s VAL 96 CO 0.34 -1.55 0.31 0.41 0.00 0.00 0.00 175.10 174.61 1se9 n THR 97 N 6.59-10.35 -3.64 3.92 -1.04 -1.26 -5.07 114.28 103.43 1se9 n THR 97 Ca 0.07 1.21 -0.10 0.00 -2.04 0.00 0.00 64.05 63.19 1se9 n THR 97 Cb 0.49 -6.57 -0.07 0.00 -1.82 0.00 0.00 70.33 62.36 1se9 n THR 97 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1se9 s GLU 98 N -2.08 0.59 -0.30 -2.82 2.56 -1.26 -5.16 118.70 110.24 1se9 s GLU 98 Ca 0.14 0.72 -0.13 0.00 0.00 0.00 0.00 54.97 55.69 1se9 s GLU 98 Cb -0.03 0.28 0.18 0.00 2.00 0.00 0.00 34.13 36.56 1se9 s GLU 98 CO 0.73 -0.07 1.07 0.21 -0.56 0.00 0.00 175.26 176.64 1se9 s LYS 99 N 0.32 0.17 0.00 4.30 2.20 -1.26 -4.83 119.74 120.64 1se9 s LYS 99 Ca 0.02 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1se9 s LYS 99 Cb -0.05 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1se9 s LYS 99 CO -0.05 -0.19 0.00 -1.91 -0.36 0.00 0.00 175.35 172.84 1se9 n GLU 100 N 5.46 0.00 0.00 4.03 4.07 -1.26 -5.17 120.64 127.78 1se9 n GLU 100 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 1se9 n GLU 100 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 1se9 n GLU 100 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43