#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 -2.60 0.26 4.31 0.00 -1.26 -5.16 121.76 117.31 1se9 s ALA 2 Ca 0.00 2.03 -0.20 0.00 0.00 0.00 0.00 51.96 53.78 1se9 s ALA 2 Cb 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.10 1se9 s ALA 2 CO 0.00 -0.34 0.78 -1.21 0.00 0.00 0.00 175.76 174.99 1se9 s GLU 3 N 1.14 4.28 0.17 0.00 8.01 -1.26 -5.06 118.70 125.99 1se9 s GLU 3 Ca -0.08 0.94 -0.20 0.00 0.01 0.00 0.00 54.97 55.64 1se9 s GLU 3 Cb -0.03 -2.77 -0.08 0.00 -4.31 0.00 0.00 34.13 26.95 1se9 s GLU 3 CO -0.11 0.32 0.69 0.08 0.01 0.00 0.00 175.26 176.25 1se9 s VAL 4 N -1.63 4.59 -0.98 2.63 1.01 -1.26 -4.93 120.40 119.83 1se9 s VAL 4 Ca 0.47 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 63.53 1se9 s VAL 4 Cb -0.16 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1se9 s VAL 4 CO 0.21 0.34 1.35 -1.00 0.00 0.00 0.00 175.10 176.00 1se9 s HIS 5 N -1.36 2.67 0.00 5.22 3.76 -1.26 -3.91 115.29 120.40 1se9 s HIS 5 Ca 0.38 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 1se9 s HIS 5 Cb -0.18 -4.58 0.00 0.00 1.11 0.00 0.00 32.58 28.92 1se9 s HIS 5 CO 0.21 -1.83 0.00 -1.71 -0.85 0.00 0.00 174.74 170.57 1se9 n ASN 6 N 8.29 0.00 -3.39 1.40 5.15 -1.26 -4.25 115.26 121.20 1se9 n ASN 6 Ca 0.29 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 54.03 1se9 n ASN 6 Cb 0.50 0.09 0.18 0.00 -0.53 0.00 0.00 39.78 40.03 1se9 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1se9 n GLN 7 N -1.84 -1.99 -3.70 1.20 3.00 -1.25 -3.44 117.38 109.36 1se9 n GLN 7 Ca 0.00 -1.47 -0.36 0.00 -0.01 0.00 0.00 57.00 55.16 1se9 n GLN 7 Cb 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 30.24 28.98 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 4.31 -0.13 1.08 1.02 -0.83 -1.95 118.68 122.18 1se9 s LEU 8 Ca 0.57 0.48 -0.19 0.00 0.02 0.00 0.00 54.13 55.01 1se9 s LEU 8 Cb -0.04 -2.22 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 1se9 s LEU 8 CO 0.42 0.26 0.50 -1.61 0.02 0.00 0.00 176.35 175.94 1se9 s GLU 9 N -0.27 4.31 -0.06 1.70 2.02 0.93 0.56 118.70 127.88 1se9 s GLU 9 Ca 0.15 0.47 0.04 0.00 0.02 0.00 0.00 54.97 55.65 1se9 s GLU 9 Cb -0.13 -3.47 -0.02 0.00 0.10 0.00 0.00 34.13 30.62 1se9 s GLU 9 CO 0.04 0.08 -0.19 0.42 0.02 0.00 0.00 175.26 175.62 1se9 s ILE 10 N 0.88 2.58 -0.05 -1.63 1.01 0.44 0.77 121.20 125.18 1se9 s ILE 10 Ca 0.26 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1se9 s ILE 10 Cb -0.15 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1se9 s ILE 10 CO 0.10 0.57 -0.21 -1.59 0.00 0.00 0.00 174.94 173.82 1se9 s LYS 11 N -0.32 2.52 -0.30 2.79 -2.85 -0.74 -2.11 119.74 118.73 1se9 s LYS 11 Ca 0.02 -0.83 -0.17 0.00 -1.00 0.00 0.00 55.97 53.99 1se9 s LYS 11 Cb -0.13 -2.24 -0.02 0.00 -2.06 0.00 0.00 37.83 33.38 1se9 s LYS 11 CO 0.02 0.48 0.46 -0.06 0.10 0.00 0.00 175.35 176.35 1se9 s PHE 12 N -0.38 3.23 -0.13 1.78 0.08 -1.22 -1.56 117.98 119.77 1se9 s PHE 12 Ca 0.03 0.37 -0.01 0.00 0.12 0.00 0.00 56.93 57.44 1se9 s PHE 12 Cb -0.12 -2.75 -0.02 0.00 -0.57 0.00 0.00 43.02 39.56 1se9 s PHE 12 CO 0.02 -0.37 -0.10 1.03 -0.10 0.00 0.00 175.22 175.70 1se9 s ARG 13 N 2.25 3.42 0.63 0.44 0.52 0.92 -0.34 118.95 126.79 1se9 s ARG 13 Ca 0.18 -0.63 -0.05 0.00 -0.52 0.00 0.00 55.73 54.71 1se9 s ARG 13 Cb -0.16 -2.71 0.03 0.00 0.52 0.00 0.00 34.95 32.64 1se9 s ARG 13 CO 0.11 0.26 0.92 -0.51 0.02 0.00 0.00 175.30 176.11 1se9 s LEU 14 N 0.25 3.08 0.39 2.53 2.01 0.86 -2.46 118.68 125.33 1se9 s LEU 14 Ca -0.07 0.49 0.28 0.00 0.01 0.00 0.00 54.13 54.84 1se9 s LEU 14 Cb -0.15 -3.25 1.13 0.00 0.01 0.00 0.00 46.19 43.93 1se9 s LEU 14 CO 0.04 -1.29 1.83 0.71 1.01 0.00 0.00 176.35 178.66 1se9 h THR 15 N -0.30 0.00 -0.00 5.49 1.35 -1.84 -2.28 112.91 115.32 1se9 h THR 15 Ca -0.45 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1se9 h THR 15 Cb 1.29 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1se9 h THR 15 CO 0.59 0.00 -0.01 0.47 -0.25 0.00 0.00 175.52 176.32 1se9 n ASP 16 N -2.62 0.17 0.00 5.36 9.92 -1.26 -4.87 116.55 123.25 1se9 n ASP 16 Ca 0.02 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.51 1se9 n ASP 16 Cb 0.28 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 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 1.12 0.77 3.76 0.44 0.00 -0.86 -5.02 105.19 105.41 1se9 n GLY 17 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.64 6.91 0.20 1.61 0.01 -1.26 -4.89 113.70 113.63 1se9 s SER 18 Ca 0.00 1.08 0.04 0.00 1.31 0.00 0.00 55.95 58.38 1se9 s SER 18 Cb 0.00 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 1se9 s SER 18 CO 0.00 0.10 -0.05 1.51 0.41 0.00 0.00 173.24 175.21 1se9 s ASP 19 N -0.11 1.85 -0.11 2.44 -4.77 -1.26 -0.10 116.67 114.60 1se9 s ASP 19 Ca 0.30 -1.13 -0.04 0.00 -3.30 0.00 0.00 52.55 48.38 1se9 s ASP 19 Cb -0.17 -0.00 -0.04 0.00 -1.09 0.00 0.00 42.92 41.62 1se9 s ASP 19 CO 0.16 -0.43 0.04 -0.63 0.70 0.00 0.00 175.17 175.01 1se9 s ILE 20 N -3.36 4.64 0.26 2.11 1.01 0.54 -4.99 121.20 121.41 1se9 s ILE 20 Ca 0.23 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 1se9 s ILE 20 Cb 0.04 -2.99 -0.14 0.00 0.01 0.00 0.00 42.46 39.38 1se9 s ILE 20 CO 0.05 0.59 1.09 0.61 0.00 0.00 0.00 174.94 177.28 1se9 n GLY 21 N 2.31 -0.08 3.76 6.18 0.00 -1.26 -3.41 105.19 112.69 1se9 n GLY 21 Ca -0.19 0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.20 4.48 0.19 1.61 0.04 -1.26 -4.75 135.00 134.11 1se9 s PRO 22 Ca 0.63 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.46 1se9 s PRO 22 Cb -0.73 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 1se9 s PRO 22 CO 0.57 0.08 -0.03 0.15 0.04 0.00 0.00 177.00 177.82 1se9 s LYS 23 N -1.74 1.19 -0.20 4.56 3.01 -0.89 -4.89 119.74 120.77 1se9 s LYS 23 Ca 0.48 -1.57 -0.20 0.00 -1.01 0.00 0.00 55.97 53.67 1se9 s LYS 23 Cb -0.30 -0.51 -0.03 0.00 -1.01 0.00 0.00 37.83 35.98 1se9 s LYS 23 CO 0.38 -0.06 0.61 0.00 0.51 0.00 0.00 175.35 176.80 1se9 s ALA 24 N -3.46 3.55 -0.10 5.17 0.00 -1.26 -0.42 121.76 125.23 1se9 s ALA 24 Ca 0.24 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.92 1se9 s ALA 24 Cb 0.05 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1se9 s ALA 24 CO 0.05 -0.56 -0.22 -0.06 0.00 0.00 0.00 175.76 174.96 1se9 s PHE 25 N 1.92 2.43 0.50 0.00 0.40 0.19 -4.89 117.98 118.54 1se9 s PHE 25 Ca 0.28 -1.01 -0.22 0.00 -0.60 0.00 0.00 56.93 55.37 1se9 s PHE 25 Cb -0.16 -1.64 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 1se9 s PHE 25 CO 0.10 -0.42 1.26 -2.14 0.70 0.00 0.00 175.22 174.72 1se9 s PRO 26 N 0.43 3.46 0.33 0.24 0.02 -1.26 -1.97 135.00 136.25 1se9 s PRO 26 Ca -0.17 2.01 0.26 0.00 0.02 0.00 0.00 61.00 63.12 1se9 s PRO 26 Cb -0.17 -2.34 1.07 0.00 0.02 0.00 0.00 34.50 33.08 1se9 s PRO 26 CO 0.07 -0.86 1.78 0.38 -0.33 0.00 0.00 177.00 178.04 1se9 h ASP 27 N 1.77 0.00 0.01 2.53 2.03 -1.96 -1.61 116.42 119.19 1se9 h ASP 27 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1se9 h ASP 27 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1se9 h ASP 27 CO 0.59 0.00 -0.00 0.00 -1.03 0.00 0.00 179.24 178.80 1se9 n ALA 28 N -1.85 2.68 -1.80 4.15 0.00 -1.26 -0.33 120.51 122.08 1se9 n ALA 28 Ca 0.02 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1se9 n ALA 28 Cb 0.25 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.01 3.73 0.56 0.00 2.01 -0.61 -4.84 115.64 114.47 1se9 s THR 29 Ca 0.47 1.70 -0.09 0.00 0.31 0.00 0.00 61.69 64.08 1se9 s THR 29 Cb 0.22 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1se9 s THR 29 CO 0.37 0.39 0.93 0.42 -0.69 0.00 0.00 174.62 176.04 1se9 s THR 30 N -1.03 4.77 0.38 -0.82 -4.23 -1.26 -0.99 115.64 112.45 1se9 s THR 30 Ca 0.44 0.67 0.20 0.00 -1.18 0.00 0.00 61.69 61.81 1se9 s THR 30 Cb -0.30 -3.85 0.20 0.00 1.34 0.00 0.00 72.50 69.89 1se9 s THR 30 CO 0.37 -0.99 1.95 0.58 -0.54 0.00 0.00 174.62 175.99 1se9 h VAL 31 N 0.01 0.91 -0.09 2.29 2.07 -0.65 -0.20 116.25 120.59 1se9 h VAL 31 Ca -0.45 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1se9 h VAL 31 Cb 1.19 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1se9 h VAL 31 CO 0.62 0.22 0.06 0.28 0.02 0.00 0.00 177.57 178.77 1se9 h SER 32 N 0.00 0.10 0.67 0.57 0.02 -1.71 0.18 113.55 113.38 1se9 h SER 32 Ca -0.00 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1se9 h SER 32 Cb 0.49 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1se9 h SER 32 CO 0.03 0.08 -0.76 0.00 -1.14 0.00 0.00 176.83 175.03 1se9 h ALA 33 N 1.03 0.71 -0.13 3.77 0.00 -1.80 -1.46 119.26 121.39 1se9 h ALA 33 Ca 0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1se9 h ALA 33 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1se9 h ALA 33 CO -0.01 0.91 0.05 1.25 0.00 0.00 0.00 179.25 181.46 1se9 h LEU 34 N 0.05 0.17 -0.46 0.00 5.85 -0.77 -0.24 115.31 119.90 1se9 h LEU 34 Ca -0.02 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1se9 h LEU 34 Cb 1.35 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1se9 h LEU 34 CO 0.11 0.27 0.13 0.50 -0.34 0.00 0.00 178.44 179.11 1se9 h LYS 35 N 0.06 0.73 -0.99 1.25 1.63 -0.58 -2.50 116.57 116.16 1se9 h LYS 35 Ca 0.04 -0.16 0.09 0.00 -0.85 0.00 0.00 60.65 59.76 1se9 h LYS 35 Cb 0.15 -0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 31.60 1se9 h LYS 35 CO -0.00 0.71 0.63 1.49 -3.45 0.00 0.00 179.45 178.82 1se9 h GLU 36 N 0.61 1.05 -0.62 1.90 4.22 -1.07 0.07 114.58 120.75 1se9 h GLU 36 Ca 0.15 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.49 1se9 h GLU 36 Cb 0.29 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1se9 h GLU 36 CO -0.00 0.70 0.25 1.15 -2.18 0.00 0.00 179.01 178.93 1se9 h THR 37 N 1.09 1.23 -0.74 0.32 2.02 -0.62 -1.56 112.91 114.64 1se9 h THR 37 Ca 0.45 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1se9 h THR 37 Cb 0.29 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1se9 h THR 37 CO -0.21 0.28 0.48 0.58 0.37 0.00 0.00 175.52 177.02 1se9 h VAL 38 N 0.87 1.20 -0.30 3.16 2.07 -0.66 0.12 116.25 122.71 1se9 h VAL 38 Ca 0.21 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1se9 h VAL 38 Cb 0.20 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1se9 h VAL 38 CO -0.02 0.19 0.05 0.40 0.02 0.00 0.00 177.57 178.21 1se9 h ILE 39 N 1.01 1.16 0.04 4.57 1.08 -0.65 0.20 117.51 124.91 1se9 h ILE 39 Ca 0.27 -0.57 -0.27 0.00 -0.39 0.00 0.00 64.86 63.90 1se9 h ILE 39 Cb -0.10 0.88 0.02 0.00 -3.07 0.00 0.00 36.82 34.56 1se9 h ILE 39 CO -0.06 0.20 -1.09 -1.28 -0.69 0.00 0.00 178.15 175.23 1se9 h SER 40 N 0.42 0.90 -0.33 1.72 0.87 -0.56 -3.34 113.55 113.23 1se9 h SER 40 Ca 0.10 -0.77 -0.18 0.00 -1.23 0.00 0.00 61.79 59.72 1se9 h SER 40 Cb 0.21 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1se9 h SER 40 CO 0.00 1.55 -0.48 -0.33 -0.53 0.00 0.00 176.83 177.04 1se9 h GLU 41 N 0.34 0.90 -6.19 2.24 4.39 -0.41 -3.42 114.58 112.43 1se9 h GLU 41 Ca -0.15 -0.53 -0.55 0.00 0.34 0.00 0.00 59.36 58.46 1se9 h GLU 41 Cb 1.75 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.41 1se9 h GLU 41 CO 0.21 1.18 0.29 -0.46 -1.16 0.00 0.00 179.01 179.08 1se9 s TRP 42 N -4.23 3.58 -0.32 4.33 -0.11 0.65 -4.95 118.94 117.89 1se9 s TRP 42 Ca -0.11 1.46 -0.35 0.00 1.22 0.00 0.00 56.10 58.32 1se9 s TRP 42 Cb 0.10 -3.00 -0.12 0.00 -1.50 0.00 0.00 33.47 28.96 1se9 s TRP 42 CO 0.89 -0.03 2.13 -2.30 -4.62 0.00 0.00 176.95 173.02 1se9 n PRO 43 N 4.18 1.18 0.29 5.86 -0.02 -1.26 -4.77 135.00 140.47 1se9 n PRO 43 Ca 0.04 0.34 0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1se9 n PRO 43 Cb 0.51 -2.47 0.89 0.00 -0.02 0.00 0.00 33.50 32.41 1se9 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1se9 h ARG 44 N 11.81 0.00 0.00 -0.52 3.08 -1.88 -1.17 114.38 125.70 1se9 h ARG 44 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1se9 h ARG 44 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1se9 h ARG 44 CO 1.01 0.04 0.00 0.93 -1.07 0.00 0.00 179.97 180.88 1se9 h GLU 45 N 0.00 0.00 -6.59 0.04 5.08 -1.96 -3.42 114.58 107.72 1se9 h GLU 45 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1se9 h GLU 45 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1se9 h GLU 45 CO 0.01 0.00 0.44 0.15 -1.00 0.00 0.00 179.01 178.60 1se9 s LYS 46 N -3.43 4.61 0.16 2.33 1.02 -0.45 -5.04 119.74 118.95 1se9 s LYS 46 Ca 0.03 1.61 0.07 0.00 0.02 0.00 0.00 55.97 57.71 1se9 s LYS 46 Cb 0.09 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1se9 s LYS 46 CO 0.42 0.09 -0.16 -2.00 -0.92 0.00 0.00 175.35 172.78 1se9 s GLU 47 N -0.02 1.21 -0.48 1.68 2.12 -1.26 -4.42 118.70 117.54 1se9 s GLU 47 Ca 0.50 -1.41 0.00 0.00 0.36 0.00 0.00 54.97 54.42 1se9 s GLU 47 Cb -0.27 -1.14 0.00 0.00 0.26 0.00 0.00 34.13 32.98 1se9 s GLU 47 CO 0.32 0.22 0.00 0.09 -0.54 0.00 0.00 175.26 175.35 1se9 n ASN 48 N 0.18 -4.52 0.00 -1.70 4.13 -1.26 -4.76 115.26 107.33 1se9 n ASN 48 Ca -0.12 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1se9 n ASN 48 Cb 0.58 -2.42 0.00 0.00 -1.54 0.00 0.00 39.78 36.40 1se9 n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1se9 n GLY 49 N -1.14 0.12 0.22 7.41 0.00 -1.26 -4.60 105.19 105.93 1se9 n GLY 49 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1se9 n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1se9 n PRO 50 N -1.70 0.83 0.00 1.61 -0.04 -1.26 -4.03 135.00 130.41 1se9 n PRO 50 Ca 0.00 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1se9 n PRO 50 Cb 0.00 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 1se9 n PRO 50 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1se9 n LYS 51 N -1.08 0.00 -4.39 0.54 3.00 -1.26 -4.73 118.16 110.24 1se9 n LYS 51 Ca 0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.12 1se9 n LYS 51 Cb 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.97 1se9 n LYS 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1se9 s THR 52 N 0.00 0.59 0.28 3.15 -4.23 -1.26 -5.01 115.64 109.17 1se9 s THR 52 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 1se9 s THR 52 Cb 0.00 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.56 1se9 s THR 52 CO 0.00 0.00 1.75 0.58 -0.54 0.00 0.00 174.62 176.41 1se9 h VAL 53 N 2.14 0.65 -0.63 2.29 2.07 -1.92 -1.29 116.25 119.56 1se9 h VAL 53 Ca -0.36 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1se9 h VAL 53 Cb 1.25 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1se9 h VAL 53 CO 0.58 0.11 0.10 0.50 0.02 0.00 0.00 177.57 178.88 1se9 h LYS 54 N 0.62 1.03 0.00 1.57 3.64 -1.98 -3.26 116.57 118.18 1se9 h LYS 54 Ca 0.53 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1se9 h LYS 54 Cb 0.86 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1se9 h LYS 54 CO -0.41 0.95 -0.71 0.93 -2.27 0.00 0.00 179.45 177.93 1se9 h GLU 55 N 0.97 0.00 -5.90 1.90 4.39 -1.64 -3.45 114.58 110.85 1se9 h GLU 55 Ca 0.19 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.29 1se9 h GLU 55 Cb 0.42 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 1se9 h GLU 55 CO 0.01 0.43 -0.22 0.08 -1.16 0.00 0.00 179.01 178.15 1se9 s VAL 56 N -2.97 5.11 -0.01 3.13 1.01 -0.94 -4.61 120.40 121.12 1se9 s VAL 56 Ca 0.02 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1se9 s VAL 56 Cb 0.08 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1se9 s VAL 56 CO 0.76 0.53 0.04 -0.54 0.00 0.00 0.00 175.10 175.89 1se9 s LYS 57 N -0.72 2.94 -0.11 2.72 1.02 -1.01 -4.94 119.74 119.64 1se9 s LYS 57 Ca 0.23 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.72 1se9 s LYS 57 Cb -0.16 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1se9 s LYS 57 CO 0.11 0.64 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.79 1se9 s LEU 58 N -1.60 2.05 -0.05 3.17 1.98 -1.26 -0.70 118.68 122.26 1se9 s LEU 58 Ca 0.21 -0.55 0.01 0.00 -2.89 0.00 0.00 54.13 50.90 1se9 s LEU 58 Cb -0.12 -1.37 0.02 0.00 0.66 0.00 0.00 46.19 45.38 1se9 s LEU 58 CO 0.11 0.12 -0.05 -0.63 -1.89 0.00 0.00 176.35 174.02 1se9 s ILE 59 N 0.56 0.56 -0.06 6.68 1.01 0.28 -1.13 121.20 129.09 1se9 s ILE 59 Ca -0.14 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1se9 s ILE 59 Cb -0.17 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.73 1se9 s ILE 59 CO 0.04 0.23 -0.10 -0.94 0.00 0.00 0.00 174.94 174.17 1se9 s SER 60 N 0.96 1.58 -1.80 3.58 1.04 -0.63 -0.90 113.70 117.52 1se9 s SER 60 Ca -0.10 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1se9 s SER 60 Cb -0.14 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1se9 s SER 60 CO -0.00 0.01 0.00 0.00 0.98 0.00 0.00 173.24 174.23 1se9 n ALA 61 N 3.90 -0.27 -0.79 5.32 0.00 -1.26 -0.98 120.51 126.43 1se9 n ALA 61 Ca -0.23 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1se9 n ALA 61 Cb 0.51 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.88 0.64 3.77 0.00 0.00 -1.26 -5.04 105.19 102.42 1se9 n GLY 62 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.21 3.26 -0.23 1.61 3.01 -0.15 -5.07 119.74 121.96 1se9 s LYS 63 Ca 0.00 -0.27 -0.21 0.00 -1.01 0.00 0.00 55.97 54.48 1se9 s LYS 63 Cb 0.00 -3.01 -0.02 0.00 -1.01 0.00 0.00 37.83 33.79 1se9 s LYS 63 CO 0.00 0.71 0.64 0.08 0.51 0.00 0.00 175.35 177.29 1se9 s VAL 64 N -0.87 4.99 -0.38 3.17 1.01 -1.26 -1.60 120.40 125.45 1se9 s VAL 64 Ca 0.13 1.18 -0.27 0.00 0.00 0.00 0.00 61.98 63.02 1se9 s VAL 64 Cb -0.12 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1se9 s VAL 64 CO 0.03 0.06 1.01 -0.76 0.00 0.00 0.00 175.10 175.44 1se9 s LEU 65 N 2.23 3.91 0.37 3.92 1.02 -0.28 -5.01 118.68 124.84 1se9 s LEU 65 Ca 0.28 0.66 -0.25 0.00 0.02 0.00 0.00 54.13 54.84 1se9 s LEU 65 Cb -0.16 -3.39 -0.09 0.00 0.02 0.00 0.00 46.19 42.57 1se9 s LEU 65 CO 0.09 -0.95 1.01 -0.70 0.02 0.00 0.00 176.35 175.82 1se9 s GLU 66 N 3.73 4.33 0.49 1.70 -6.30 -1.26 -4.66 118.70 116.72 1se9 s GLU 66 Ca 0.42 1.42 0.22 0.00 -2.50 0.00 0.00 54.97 54.52 1se9 s GLU 66 Cb -0.11 -2.62 1.25 0.00 0.00 0.00 0.00 34.13 32.65 1se9 s GLU 66 CO 0.21 0.03 2.03 -2.95 0.02 0.00 0.00 175.26 174.60 1se9 h ASN 67 N 2.71 0.00 -0.05 -1.70 -1.07 -1.95 -1.12 115.58 112.40 1se9 h ASN 67 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.89 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 0.63 0.16 0.00 -1.20 0.07 0.00 0.00 177.43 177.09 1se9 n SER 68 N -3.94 0.67 -4.95 6.14 7.64 -1.26 -2.55 113.62 115.36 1se9 n SER 68 Ca -0.02 -1.46 -0.23 0.00 1.01 0.00 0.00 58.87 58.18 1se9 n SER 68 Cb 0.25 -0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.94 2.95 0.30 1.43 -0.14 -0.43 -4.94 119.74 116.98 1se9 s LYS 69 Ca 0.33 -0.51 0.09 0.00 -1.36 0.00 0.00 55.97 54.52 1se9 s LYS 69 Cb 0.16 -2.52 -0.05 0.00 -1.68 0.00 0.00 37.83 33.74 1se9 s LYS 69 CO 0.26 -0.39 0.03 0.99 -0.76 0.00 0.00 175.35 175.48 1se9 s THR 70 N -2.63 3.11 0.20 2.17 2.01 -1.26 -0.13 115.64 119.11 1se9 s THR 70 Ca 0.51 -1.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.53 1se9 s THR 70 Cb -0.10 -2.84 0.14 0.00 0.01 0.00 0.00 72.50 69.70 1se9 s THR 70 CO 0.38 -0.29 1.77 0.58 -0.69 0.00 0.00 174.62 176.38 1se9 h VAL 71 N 1.80 1.25 -0.81 3.82 2.07 -0.92 -2.37 116.25 121.10 1se9 h VAL 71 Ca -0.44 -0.80 0.19 0.00 0.82 0.00 0.00 66.70 66.48 1se9 h VAL 71 Cb 1.25 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1se9 h VAL 71 CO 0.63 0.32 0.55 0.50 0.02 0.00 0.00 177.57 179.59 1se9 h LYS 72 N 1.09 0.28 -0.16 1.57 3.64 -0.94 -1.35 116.57 120.70 1se9 h LYS 72 Ca 0.25 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1se9 h LYS 72 Cb 0.21 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1se9 h LYS 72 CO -0.02 0.18 -0.28 0.22 -2.27 0.00 0.00 179.45 177.28 1se9 h ASP 73 N 0.29 0.31 0.06 4.20 3.58 -1.71 -2.72 116.42 120.43 1se9 h ASP 73 Ca 0.41 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1se9 h ASP 73 Cb 1.15 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1se9 h ASP 73 CO -0.11 0.59 -1.32 -1.22 -2.88 0.00 0.00 179.24 174.30 1se9 n TYR 74 N -4.12 0.03 -2.64 0.28 4.01 -0.90 -4.95 117.16 108.87 1se9 n TYR 74 Ca -0.01 0.01 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1se9 n TYR 74 Cb 0.40 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 1se9 n TYR 74 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1se9 s ARG 75 N -3.19 4.77 0.45 -0.72 3.52 -0.56 -5.04 118.95 118.17 1se9 s ARG 75 Ca 0.02 1.61 -0.10 0.00 -0.13 0.00 0.00 55.73 57.13 1se9 s ARG 75 Cb 0.15 -3.25 -0.06 0.00 -1.56 0.00 0.00 34.95 30.23 1se9 s ARG 75 CO 0.87 0.39 0.81 -1.12 -0.81 0.00 0.00 175.30 175.44 1se9 s SER 76 N -1.00 6.46 0.00 -2.12 0.01 -1.26 -4.92 113.70 110.87 1se9 s SER 76 Ca 0.43 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.84 1se9 s SER 76 Cb -0.28 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1se9 s SER 76 CO 0.35 -0.49 0.00 -2.65 0.41 0.00 0.00 173.24 170.87 1se9 n PRO 77 N -1.62 1.36 0.00 12.44 -0.02 -1.26 -4.49 135.00 141.40 1se9 n PRO 77 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1se9 n PRO 77 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 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 -0.26 0.00 -2.28 -1.45 0.31 -1.26 -4.87 118.33 108.52 1se9 n VAL 78 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1se9 n VAL 78 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1se9 n VAL 78 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1se9 s SER 79 N 0.00 5.69 -0.05 4.52 0.01 -1.26 -4.70 113.70 117.90 1se9 s SER 79 Ca 0.00 -0.12 0.10 0.00 1.31 0.00 0.00 55.95 57.24 1se9 s SER 79 Cb 0.00 -2.55 0.17 0.00 0.21 0.00 0.00 66.02 63.86 1se9 s SER 79 CO 0.00 -2.13 1.08 0.59 0.41 0.00 0.00 173.24 173.19 1se9 n ASN 80 N 11.24 0.90 -4.72 2.44 3.02 -1.26 -5.08 115.26 121.79 1se9 n ASN 80 Ca 0.15 -2.43 -0.29 0.00 -0.03 0.00 0.00 54.58 51.97 1se9 n ASN 80 Cb 0.50 -0.30 0.15 0.00 -0.61 0.00 0.00 39.78 39.52 1se9 n ASN 80 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1se9 s LEU 81 N -1.01 2.02 -0.85 3.41 1.43 -1.26 -4.96 118.68 117.46 1se9 s LEU 81 Ca 0.16 1.30 -0.14 0.00 -1.03 0.00 0.00 54.13 54.42 1se9 s LEU 81 Cb 0.16 -3.64 0.22 0.00 0.03 0.00 0.00 46.19 42.96 1se9 s LEU 81 CO -0.02 -2.74 0.79 0.00 0.23 0.00 0.00 176.35 174.61 1se9 s ALA 82 N -3.01 4.12 0.00 4.21 0.00 -1.26 -4.29 121.76 121.53 1se9 s ALA 82 Ca 0.64 -3.35 0.00 0.00 0.00 0.00 0.00 51.96 49.24 1se9 s ALA 82 Cb -0.17 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1se9 s ALA 82 CO 0.56 -2.28 0.00 0.41 0.00 0.00 0.00 175.76 174.45 1se9 n GLY 83 N 3.90 0.89 3.68 0.00 0.00 -0.82 -4.34 105.19 108.50 1se9 n GLY 83 Ca 0.15 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.15 3.60 -0.03 4.61 0.00 -1.23 -4.77 121.76 121.79 1se9 s ALA 84 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 1se9 s ALA 84 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1se9 s ALA 84 CO 0.00 -0.15 0.70 0.08 0.00 0.00 0.00 175.76 176.38 1se9 s VAL 85 N 0.99 4.95 -0.05 0.00 1.01 -1.25 -0.05 120.40 126.00 1se9 s VAL 85 Ca 0.12 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.60 1se9 s VAL 85 Cb -0.13 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1se9 s VAL 85 CO 0.05 0.31 -0.21 -0.89 0.00 0.00 0.00 175.10 174.35 1se9 s THR 86 N 0.43 2.42 -0.27 3.92 2.01 0.23 -4.91 115.64 119.47 1se9 s THR 86 Ca 0.37 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 1se9 s THR 86 Cb -0.18 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1se9 s THR 86 CO 0.19 0.57 0.38 -0.89 -0.69 0.00 0.00 174.62 174.18 1se9 s THR 87 N -0.40 5.17 0.02 -0.82 2.01 -1.26 -1.80 115.64 118.57 1se9 s THR 87 Ca 0.04 0.59 0.08 0.00 0.31 0.00 0.00 61.69 62.71 1se9 s THR 87 Cb -0.12 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1se9 s THR 87 CO 0.02 0.16 -0.25 -0.32 -0.69 0.00 0.00 174.62 173.54 1se9 s MET 88 N 2.04 1.81 -0.11 4.92 0.00 -0.60 -4.85 119.30 122.50 1se9 s MET 88 Ca 0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 55.69 54.81 1se9 s MET 88 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 34.83 32.75 1se9 s MET 88 CO 0.10 0.50 0.02 -1.01 0.00 0.00 0.00 175.02 174.63 1se9 s HIS 89 N -0.71 3.21 -0.14 4.11 3.76 -0.08 -0.05 115.29 125.38 1se9 s HIS 89 Ca 0.10 0.16 -0.03 0.00 -0.15 0.00 0.00 55.06 55.14 1se9 s HIS 89 Cb -0.10 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 1se9 s HIS 89 CO 0.01 0.39 -0.03 0.08 -0.85 0.00 0.00 174.74 174.34 1se9 s VAL 90 N -0.55 3.94 -0.29 -0.90 1.01 -1.03 -0.56 120.40 122.01 1se9 s VAL 90 Ca 0.10 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 1se9 s VAL 90 Cb -0.12 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1se9 s VAL 90 CO 0.02 0.51 0.09 -0.63 0.00 0.00 0.00 175.10 175.09 1se9 s ILE 91 N 0.16 4.11 -0.47 2.22 -1.09 0.12 -4.43 121.20 121.82 1se9 s ILE 91 Ca -0.01 -0.59 -0.20 0.00 -2.23 0.00 0.00 60.65 57.61 1se9 s ILE 91 Cb -0.14 -3.09 0.04 0.00 -1.58 0.00 0.00 42.46 37.69 1se9 s ILE 91 CO 0.03 0.11 0.65 -0.63 -1.23 0.00 0.00 174.94 173.86 1se9 s ILE 92 N 1.53 4.83 -0.30 2.92 -1.09 -1.26 -2.40 121.20 125.43 1se9 s ILE 92 Ca 0.03 -0.11 -0.04 0.00 -2.23 0.00 0.00 60.65 58.30 1se9 s ILE 92 Cb -0.17 -4.25 0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1se9 s ILE 92 CO 0.03 -0.70 0.04 -1.10 -1.23 0.00 0.00 174.94 171.98 1se9 s GLN 93 N 2.80 2.67 -0.28 2.79 -1.52 -1.26 -5.06 119.66 119.79 1se9 s GLN 93 Ca 0.20 -1.12 -0.29 0.00 -1.95 0.00 0.00 55.36 52.20 1se9 s GLN 93 Cb -0.16 -3.27 -0.01 0.00 -0.22 0.00 0.00 33.01 29.34 1se9 s GLN 93 CO 0.16 -0.57 1.56 0.00 -0.25 0.00 0.00 175.29 176.19 1se9 s ALA 94 N 1.36 3.18 0.49 6.09 0.00 -1.26 -4.83 121.76 126.79 1se9 s ALA 94 Ca -0.02 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 1se9 s ALA 94 Cb -0.19 -3.88 -0.07 0.00 0.00 0.00 0.00 23.12 18.98 1se9 s ALA 94 CO 0.00 -2.11 0.92 -1.25 0.00 0.00 0.00 175.76 173.32 1se9 s PRO 95 N 4.80 3.86 -0.46 0.00 0.04 -1.26 -5.02 135.00 136.97 1se9 s PRO 95 Ca 0.68 0.77 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 1se9 s PRO 95 Cb -0.21 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1se9 s PRO 95 CO 0.29 -0.21 0.62 0.08 0.04 0.00 0.00 177.00 177.82 1se9 s VAL 96 N -2.58 4.86 0.04 -0.36 1.01 -1.26 -4.80 120.40 117.31 1se9 s VAL 96 Ca 0.56 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 1se9 s VAL 96 Cb -0.10 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1se9 s VAL 96 CO 0.33 -0.64 0.17 0.28 0.00 0.00 0.00 175.10 175.24 1se9 s THR 97 N 2.70 0.11 0.54 3.92 -1.32 -1.26 -5.16 115.64 115.17 1se9 s THR 97 Ca 0.19 -0.93 0.08 0.00 -1.21 0.00 0.00 61.69 59.83 1se9 s THR 97 Cb -0.16 -0.88 0.06 0.00 -1.51 0.00 0.00 72.50 70.02 1se9 s THR 97 CO 0.16 -0.51 0.64 -0.70 -2.21 0.00 0.00 174.62 172.00 1se9 s GLU 98 N -2.49 2.36 0.03 7.08 2.12 -1.26 -5.02 118.70 121.52 1se9 s GLU 98 Ca -0.06 -1.69 -0.30 0.00 0.36 0.00 0.00 54.97 53.28 1se9 s GLU 98 Cb -0.02 -2.50 -0.08 0.00 0.26 0.00 0.00 34.13 31.79 1se9 s GLU 98 CO -0.04 -0.69 1.84 0.21 -0.54 0.00 0.00 175.26 176.04 1se9 s LYS 99 N -4.50 4.16 -0.09 4.30 2.20 -1.26 -4.96 119.74 119.59 1se9 s LYS 99 Ca 0.53 2.48 -0.01 0.00 -0.36 0.00 0.00 55.97 58.61 1se9 s LYS 99 Cb -0.05 -4.01 0.03 0.00 -1.51 0.00 0.00 37.83 32.29 1se9 s LYS 99 CO 0.33 -0.90 -0.04 -2.00 -0.36 0.00 0.00 175.35 172.38 1se9 s GLU 100 N 4.01 1.11 0.00 4.03 2.12 -1.26 -5.34 118.70 123.36 1se9 s GLU 100 Ca 0.82 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 56.06 1se9 s GLU 100 Cb -0.40 -1.30 0.00 0.00 0.26 0.00 0.00 34.13 32.69 1se9 s GLU 100 CO 0.37 -0.28 0.00 1.17 -0.54 0.00 0.00 175.26 175.98