#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 3.24 -0.89 0.62 0.00 -1.26 -5.03 121.76 118.44 1se9 s ALA 2 Ca 0.00 -3.41 -0.22 0.00 0.00 0.00 0.00 51.96 48.32 1se9 s ALA 2 Cb 0.00 -2.07 0.07 0.00 0.00 0.00 0.00 23.12 21.12 1se9 s ALA 2 CO 0.00 -2.06 1.26 -2.00 0.00 0.00 0.00 175.76 172.95 1se9 s GLU 3 N -0.81 3.45 -0.09 0.00 -6.30 -1.26 -4.97 118.70 108.72 1se9 s GLU 3 Ca 0.23 -1.12 -0.04 0.00 -2.50 0.00 0.00 54.97 51.54 1se9 s GLU 3 Cb -0.11 -4.87 -0.04 0.00 0.00 0.00 0.00 34.13 29.12 1se9 s GLU 3 CO -0.11 -2.01 0.08 0.08 0.02 0.00 0.00 175.26 173.31 1se9 s VAL 4 N 4.31 4.93 -0.49 3.70 1.01 -1.26 -5.06 120.40 127.53 1se9 s VAL 4 Ca 0.37 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1se9 s VAL 4 Cb -0.05 -3.13 0.18 0.00 0.00 0.00 0.00 36.38 33.37 1se9 s VAL 4 CO -0.03 0.58 0.40 0.00 0.00 0.00 0.00 175.10 176.06 1se9 n HIS 5 N 1.96 0.25 -0.76 5.22 1.44 -1.26 -4.66 115.22 117.40 1se9 n HIS 5 Ca -0.19 -3.59 0.00 0.00 -2.01 0.00 0.00 57.72 51.93 1se9 n HIS 5 Cb 0.54 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1se9 n HIS 5 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1se9 n ASN 6 N 2.47 0.35 -2.32 4.39 4.13 -1.26 -5.08 115.26 117.94 1se9 n ASN 6 Ca 0.27 -1.10 -0.04 0.00 1.68 0.00 0.00 54.58 55.39 1se9 n ASN 6 Cb 0.45 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.68 1se9 n ASN 6 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1se9 n GLN 7 N -0.05 1.70 -3.42 3.52 1.13 -1.26 -5.08 117.38 113.91 1se9 n GLN 7 Ca 0.00 -0.42 -0.37 0.00 -1.94 0.00 0.00 57.00 54.27 1se9 n GLN 7 Cb 0.29 0.09 -0.07 0.00 0.11 0.00 0.00 30.24 30.67 1se9 n GLN 7 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1se9 s LEU 8 N 0.00 4.22 -0.18 1.08 1.02 -0.71 -4.78 118.68 119.33 1se9 s LEU 8 Ca 0.01 0.60 -0.16 0.00 0.02 0.00 0.00 54.13 54.60 1se9 s LEU 8 Cb -0.00 -2.51 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 1se9 s LEU 8 CO 0.01 0.01 0.40 -1.61 0.02 0.00 0.00 176.35 175.18 1se9 s GLU 9 N 0.79 4.22 0.03 1.70 2.02 -1.25 0.58 118.70 126.78 1se9 s GLU 9 Ca 0.20 0.24 0.05 0.00 0.02 0.00 0.00 54.97 55.48 1se9 s GLU 9 Cb -0.14 -3.50 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 1se9 s GLU 9 CO 0.07 0.04 -0.16 0.42 0.02 0.00 0.00 175.26 175.65 1se9 s ILE 10 N 1.06 1.27 0.09 -1.63 1.01 0.52 -0.48 121.20 123.05 1se9 s ILE 10 Ca 0.20 -0.95 0.10 0.00 0.00 0.00 0.00 60.65 60.00 1se9 s ILE 10 Cb -0.14 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1se9 s ILE 10 CO 0.08 0.15 -0.25 -1.59 0.00 0.00 0.00 174.94 173.32 1se9 s LYS 11 N -0.92 1.63 -0.17 2.79 -2.85 0.10 -1.13 119.74 119.18 1se9 s LYS 11 Ca 0.04 -1.22 -0.15 0.00 -1.00 0.00 0.00 55.97 53.64 1se9 s LYS 11 Cb -0.07 -1.97 -0.04 0.00 -2.06 0.00 0.00 37.83 33.68 1se9 s LYS 11 CO 0.01 0.48 0.34 -0.06 0.10 0.00 0.00 175.35 176.22 1se9 s PHE 12 N -0.97 3.43 -0.19 1.78 0.08 -1.22 -1.81 117.98 119.09 1se9 s PHE 12 Ca 0.14 0.61 -0.04 0.00 0.12 0.00 0.00 56.93 57.76 1se9 s PHE 12 Cb -0.10 -2.42 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1se9 s PHE 12 CO 0.05 0.14 -0.04 0.50 -0.10 0.00 0.00 175.22 175.77 1se9 s ARG 13 N 0.78 3.47 0.84 0.44 3.52 -0.49 -0.30 118.95 127.22 1se9 s ARG 13 Ca 0.18 -0.60 -0.13 0.00 -0.13 0.00 0.00 55.73 55.05 1se9 s ARG 13 Cb -0.14 -2.96 0.11 0.00 -1.56 0.00 0.00 34.95 30.40 1se9 s ARG 13 CO 0.06 -0.04 1.20 -0.51 -0.81 0.00 0.00 175.30 175.21 1se9 s LEU 14 N 1.07 2.51 0.49 -0.88 1.02 0.16 -0.05 118.68 122.99 1se9 s LEU 14 Ca 0.01 0.70 0.28 0.00 0.02 0.00 0.00 54.13 55.14 1se9 s LEU 14 Cb -0.15 -3.09 1.03 0.00 0.02 0.00 0.00 46.19 44.00 1se9 s LEU 14 CO 0.00 -2.10 1.86 0.71 0.02 0.00 0.00 176.35 176.85 1se9 h THR 15 N -1.19 0.25 -0.02 5.49 1.35 -1.85 -2.80 112.91 114.14 1se9 h THR 15 Ca -0.46 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1se9 h THR 15 Cb 1.31 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1se9 h THR 15 CO 0.61 0.10 0.00 0.47 -0.25 0.00 0.00 175.52 176.45 1se9 n ASP 16 N -3.22 0.52 0.00 5.36 8.00 -1.26 -4.86 116.55 121.09 1se9 n ASP 16 Ca 0.01 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1se9 n ASP 16 Cb 0.39 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 1.01 0.75 3.84 0.44 0.00 -1.06 -5.04 105.19 105.13 1se9 n GLY 17 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1se9 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1se9 s SER 18 N -2.54 6.85 0.13 1.61 1.04 -1.26 -4.90 113.70 114.63 1se9 s SER 18 Ca 0.00 1.05 0.06 0.00 0.48 0.00 0.00 55.95 57.54 1se9 s SER 18 Cb 0.00 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 1se9 s SER 18 CO 0.00 0.23 -0.15 1.51 0.98 0.00 0.00 173.24 175.81 1se9 s ASP 19 N -1.37 2.11 -0.07 7.02 -4.77 -1.26 0.38 116.67 118.71 1se9 s ASP 19 Ca 0.30 -0.82 -0.02 0.00 -3.30 0.00 0.00 52.55 48.72 1se9 s ASP 19 Cb -0.16 -0.08 -0.03 0.00 -1.09 0.00 0.00 42.92 41.55 1se9 s ASP 19 CO 0.17 -0.13 0.03 -0.63 0.70 0.00 0.00 175.17 175.31 1se9 s ILE 20 N -2.11 4.51 0.25 2.11 1.01 0.59 -4.99 121.20 122.56 1se9 s ILE 20 Ca 0.10 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 1se9 s ILE 20 Cb -0.05 -2.93 -0.15 0.00 0.01 0.00 0.00 42.46 39.34 1se9 s ILE 20 CO 0.04 0.56 1.01 0.61 0.00 0.00 0.00 174.94 177.16 1se9 n GLY 21 N 1.95 -0.30 3.76 6.18 0.00 -1.26 -3.38 105.19 112.15 1se9 n GLY 21 Ca -0.18 0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.15 3.51 0.13 1.61 0.04 -1.26 -4.73 135.00 133.14 1se9 s PRO 22 Ca 0.63 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 63.66 1se9 s PRO 22 Cb -0.76 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1se9 s PRO 22 CO 0.57 -0.82 0.02 0.15 0.04 0.00 0.00 177.00 176.96 1se9 s LYS 23 N -2.77 0.92 -0.21 4.56 1.02 -0.29 -4.90 119.74 118.08 1se9 s LYS 23 Ca 0.67 -1.42 -0.20 0.00 0.02 0.00 0.00 55.97 55.04 1se9 s LYS 23 Cb -0.34 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.01 1se9 s LYS 23 CO 0.41 -0.18 0.58 0.00 -0.92 0.00 0.00 175.35 175.24 1se9 s ALA 24 N -3.89 3.55 -0.16 5.17 0.00 -1.26 -0.35 121.76 124.82 1se9 s ALA 24 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1se9 s ALA 24 Cb 0.07 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1se9 s ALA 24 CO -0.00 -0.55 -0.15 -0.06 0.00 0.00 0.00 175.76 175.00 1se9 s PHE 25 N 1.89 2.79 0.51 0.00 0.40 0.20 -4.90 117.98 118.87 1se9 s PHE 25 Ca 0.26 -1.10 -0.23 0.00 -0.60 0.00 0.00 56.93 55.27 1se9 s PHE 25 Cb -0.16 -1.90 -0.06 0.00 0.51 0.00 0.00 43.02 41.41 1se9 s PHE 25 CO 0.10 -0.51 1.34 -2.14 0.70 0.00 0.00 175.22 174.71 1se9 s PRO 26 N 0.90 3.33 0.36 0.24 0.02 -1.26 -1.74 135.00 136.84 1se9 s PRO 26 Ca -0.04 2.21 0.07 0.00 0.02 0.00 0.00 61.00 63.26 1se9 s PRO 26 Cb -0.15 -2.36 0.68 0.00 0.02 0.00 0.00 34.50 32.69 1se9 s PRO 26 CO -0.02 -1.03 1.87 0.38 -0.33 0.00 0.00 177.00 177.88 1se9 h ASP 27 N 1.71 0.31 -0.00 2.53 2.03 -1.96 -2.40 116.42 118.64 1se9 h ASP 27 Ca -0.51 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.72 1se9 h ASP 27 Cb 1.29 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1se9 h ASP 27 CO 0.58 0.48 0.00 0.00 -1.03 0.00 0.00 179.24 179.27 1se9 n ALA 28 N -2.48 2.65 -1.81 4.15 0.00 -1.26 -0.59 120.51 121.16 1se9 n ALA 28 Ca -0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1se9 n ALA 28 Cb 0.30 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.00 3.16 0.53 0.00 2.01 -0.91 -4.82 115.64 113.61 1se9 s THR 29 Ca 0.38 1.13 -0.14 0.00 0.31 0.00 0.00 61.69 63.37 1se9 s THR 29 Cb 0.17 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1se9 s THR 29 CO 0.29 0.25 0.96 0.42 -0.69 0.00 0.00 174.62 175.86 1se9 s THR 30 N -0.94 4.63 0.41 -0.82 -4.23 -1.26 -0.18 115.64 113.25 1se9 s THR 30 Ca 0.48 1.00 0.20 0.00 -1.18 0.00 0.00 61.69 62.19 1se9 s THR 30 Cb -0.36 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 69.93 1se9 s THR 30 CO 0.45 -0.81 1.99 0.58 -0.54 0.00 0.00 174.62 176.29 1se9 h VAL 31 N 0.55 0.88 -0.33 2.29 2.07 -0.53 0.15 116.25 121.33 1se9 h VAL 31 Ca -0.46 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 1se9 h VAL 31 Cb 1.19 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1se9 h VAL 31 CO 0.62 0.19 0.05 -1.28 0.02 0.00 0.00 177.57 177.17 1se9 h SER 32 N 0.00 0.53 0.70 0.57 0.87 -1.71 -0.49 113.55 114.02 1se9 h SER 32 Ca -0.00 -0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 60.21 1se9 h SER 32 Cb 0.41 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1se9 h SER 32 CO 0.03 0.66 -0.40 0.00 -0.53 0.00 0.00 176.83 176.58 1se9 h ALA 33 N 0.89 1.07 -0.45 6.23 0.00 -1.67 -1.07 119.26 124.25 1se9 h ALA 33 Ca 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1se9 h ALA 33 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1se9 h ALA 33 CO 0.01 0.50 0.19 1.25 0.00 0.00 0.00 179.25 181.20 1se9 h LEU 34 N 0.00 0.61 -0.71 0.00 5.85 -0.38 0.11 115.31 120.79 1se9 h LEU 34 Ca -0.00 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 1se9 h LEU 34 Cb 0.86 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1se9 h LEU 34 CO 0.05 0.60 -0.25 0.11 -0.34 0.00 0.00 178.44 178.62 1se9 h LYS 35 N 0.58 0.72 -0.64 1.25 1.57 -0.61 -0.71 116.57 118.72 1se9 h LYS 35 Ca 0.15 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1se9 h LYS 35 Cb 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1se9 h LYS 35 CO -0.01 0.90 0.43 0.93 -0.57 0.00 0.00 179.45 181.12 1se9 h GLU 36 N 0.63 0.78 -0.54 3.15 4.39 -0.81 0.32 114.58 122.49 1se9 h GLU 36 Ca 0.08 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 1se9 h GLU 36 Cb 0.75 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1se9 h GLU 36 CO 0.06 0.51 -0.06 1.15 -1.16 0.00 0.00 179.01 179.51 1se9 h THR 37 N 0.80 1.26 -0.46 1.13 2.02 -0.05 -2.20 112.91 115.42 1se9 h THR 37 Ca 0.25 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1se9 h THR 37 Cb 0.02 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1se9 h THR 37 CO -0.06 0.42 0.25 0.58 0.37 0.00 0.00 175.52 177.08 1se9 h VAL 38 N 0.89 1.16 -0.69 3.16 2.07 0.15 -1.33 116.25 121.65 1se9 h VAL 38 Ca 0.15 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.34 1se9 h VAL 38 Cb 0.61 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1se9 h VAL 38 CO 0.04 0.17 0.46 0.40 0.02 0.00 0.00 177.57 178.66 1se9 h ILE 39 N 0.60 0.95 -0.17 4.57 2.04 -0.74 0.58 117.51 125.33 1se9 h ILE 39 Ca 0.16 -0.21 -0.19 0.00 1.00 0.00 0.00 64.86 65.63 1se9 h ILE 39 Cb 0.05 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1se9 h ILE 39 CO -0.03 0.11 -0.65 -1.28 0.00 0.00 0.00 178.15 176.30 1se9 h SER 40 N 0.61 0.75 0.39 1.72 0.87 -0.72 -3.31 113.55 113.85 1se9 h SER 40 Ca 0.31 -0.44 -0.32 0.00 -1.23 0.00 0.00 61.79 60.12 1se9 h SER 40 Cb 0.43 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1se9 h SER 40 CO -0.11 1.20 -1.71 -0.33 -0.53 0.00 0.00 176.83 175.36 1se9 h GLU 41 N 0.47 0.17 -6.84 2.24 4.39 -0.17 -3.47 114.58 111.37 1se9 h GLU 41 Ca -0.02 -0.28 -0.53 0.00 0.34 0.00 0.00 59.36 58.87 1se9 h GLU 41 Cb 1.24 0.11 0.08 0.00 -0.10 0.00 0.00 28.75 30.07 1se9 h GLU 41 CO 0.13 0.94 0.77 -0.46 -1.16 0.00 0.00 179.01 179.22 1se9 s TRP 42 N -2.60 2.86 -0.31 4.33 -0.11 0.19 -4.89 118.94 118.41 1se9 s TRP 42 Ca -0.11 1.09 -0.28 0.00 1.22 0.00 0.00 56.10 58.03 1se9 s TRP 42 Cb 0.07 -3.90 -0.05 0.00 -1.50 0.00 0.00 33.47 28.10 1se9 s TRP 42 CO 0.82 -2.77 2.16 -2.14 -4.62 0.00 0.00 176.95 170.40 1se9 s PRO 43 N -1.15 2.95 0.46 5.86 0.02 -1.26 -4.82 135.00 137.06 1se9 s PRO 43 Ca 0.56 1.74 0.26 0.00 0.02 0.00 0.00 61.00 63.58 1se9 s PRO 43 Cb -0.44 -4.38 0.94 0.00 0.02 0.00 0.00 34.50 30.64 1se9 s PRO 43 CO 0.51 -2.31 1.83 0.00 -0.33 0.00 0.00 177.00 176.70 1se9 h ARG 44 N 15.52 0.00 0.00 5.54 3.08 -1.90 -1.59 114.38 135.03 1se9 h ARG 44 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1se9 h ARG 44 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1se9 h ARG 44 CO 1.02 0.17 0.00 -1.91 -1.07 0.00 0.00 179.97 178.18 1se9 n GLU 45 N -3.29 0.09 -2.09 0.04 2.13 -1.26 -4.85 120.64 111.40 1se9 n GLU 45 Ca 0.01 0.10 -0.41 0.00 0.66 0.00 0.00 57.16 57.51 1se9 n GLU 45 Cb 0.42 -1.61 -0.03 0.00 0.27 0.00 0.00 31.44 30.50 1se9 n GLU 45 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1se9 s LYS 46 N -3.04 4.31 0.48 5.31 2.20 -0.60 -5.02 119.74 123.38 1se9 s LYS 46 Ca 0.12 2.20 0.08 0.00 -0.36 0.00 0.00 55.97 58.02 1se9 s LYS 46 Cb 0.16 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 33.36 1se9 s LYS 46 CO 0.53 -0.37 0.55 -1.83 -0.36 0.00 0.00 175.35 173.88 1se9 s GLU 47 N -0.14 2.51 -1.88 4.03 1.03 -1.26 -4.56 118.70 118.44 1se9 s GLU 47 Ca 0.59 -1.56 0.00 0.00 0.03 0.00 0.00 54.97 54.03 1se9 s GLU 47 Cb -0.40 -2.52 0.00 0.00 -0.80 0.00 0.00 34.13 30.41 1se9 s GLU 47 CO 0.40 -0.47 0.00 0.09 -1.33 0.00 0.00 175.26 173.95 1se9 n ASN 48 N -1.87 -4.77 -3.91 0.83 4.13 -1.17 -4.87 115.26 103.64 1se9 n ASN 48 Ca 0.07 0.44 -0.08 0.00 1.68 0.00 0.00 54.58 56.69 1se9 n ASN 48 Cb 0.61 -4.24 -0.03 0.00 -1.54 0.00 0.00 39.78 34.58 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 -2.51 0.16 0.73 7.41 0.00 -1.22 -4.70 107.32 107.18 1se9 s GLY 49 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 44.72 44.10 1se9 s GLY 49 CO 0.00 -0.31 0.32 -1.05 0.00 0.00 0.00 173.10 172.06 1se9 n PRO 50 N -0.42 -1.08 0.00 2.90 -0.02 -1.26 -4.47 135.00 130.64 1se9 n PRO 50 Ca -0.03 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 1se9 n PRO 50 Cb 0.60 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 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 -1.32 0.00 -3.73 -0.52 4.81 -1.26 -4.87 118.16 111.28 1se9 n LYS 51 Ca 0.05 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.27 1se9 n LYS 51 Cb 0.22 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.24 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 -1.45 2.41 0.44 3.15 -4.23 -1.26 -4.40 115.64 110.29 1se9 s THR 52 Ca 0.00 -1.44 0.11 0.00 -1.18 0.00 0.00 61.69 59.18 1se9 s THR 52 Cb 0.00 -2.84 0.29 0.00 1.34 0.00 0.00 72.50 71.28 1se9 s THR 52 CO 0.00 0.00 2.05 1.62 -0.54 0.00 0.00 174.62 177.75 1se9 h VAL 53 N 1.05 1.02 0.00 2.29 3.04 -1.93 -2.20 116.25 119.53 1se9 h VAL 53 Ca -0.41 -0.14 -0.09 0.00 -1.01 0.00 0.00 66.70 65.05 1se9 h VAL 53 Cb 1.27 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 1se9 h VAL 53 CO 0.60 0.08 -0.43 0.50 -1.01 0.00 0.00 177.57 177.31 1se9 h LYS 54 N 0.42 0.00 -0.00 4.17 1.63 -1.97 -3.23 116.57 117.59 1se9 h LYS 54 Ca 0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1se9 h LYS 54 Cb 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1se9 h LYS 54 CO -0.04 0.43 -0.92 0.39 -3.45 0.00 0.00 179.45 175.86 1se9 n GLU 55 N -3.73 0.01 -3.67 1.90 -0.58 -0.83 -4.87 120.64 108.86 1se9 n GLU 55 Ca -0.01 -0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.36 1se9 n GLU 55 Cb 0.50 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.78 1se9 n GLU 55 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1se9 s VAL 56 N -2.99 5.36 -0.09 2.62 1.01 -1.17 -3.70 120.40 121.44 1se9 s VAL 56 Ca 0.09 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1se9 s VAL 56 Cb 0.16 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1se9 s VAL 56 CO 0.84 0.36 -0.17 -0.54 0.00 0.00 0.00 175.10 175.59 1se9 s LYS 57 N 0.96 2.99 -0.13 2.72 3.01 -1.08 -4.95 119.74 123.25 1se9 s LYS 57 Ca 0.08 -0.76 -0.06 0.00 -1.01 0.00 0.00 55.97 54.22 1se9 s LYS 57 Cb -0.13 -2.44 -0.04 0.00 -1.01 0.00 0.00 37.83 34.21 1se9 s LYS 57 CO 0.04 0.33 0.09 -0.51 0.51 0.00 0.00 175.35 175.80 1se9 s LEU 58 N 0.02 4.04 -0.11 3.17 2.01 -1.26 -0.07 118.68 126.47 1se9 s LEU 58 Ca -0.06 0.28 0.03 0.00 0.01 0.00 0.00 54.13 54.39 1se9 s LEU 58 Cb -0.15 -1.98 0.01 0.00 0.01 0.00 0.00 46.19 44.08 1se9 s LEU 58 CO 0.05 0.33 -0.21 -0.63 1.01 0.00 0.00 176.35 176.89 1se9 s ILE 59 N -0.56 1.93 -0.03 -0.59 -1.09 0.15 -0.43 121.20 120.59 1se9 s ILE 59 Ca 0.11 -0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1se9 s ILE 59 Cb -0.12 -1.70 0.03 0.00 -1.58 0.00 0.00 42.46 39.10 1se9 s ILE 59 CO 0.02 0.53 0.04 -0.55 -1.23 0.00 0.00 174.94 173.75 1se9 s SER 60 N 0.63 0.43 -1.71 3.58 0.15 -0.28 -1.78 113.70 114.70 1se9 s SER 60 Ca -0.13 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1se9 s SER 60 Cb -0.17 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1se9 s SER 60 CO 0.03 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.30 1se9 n ALA 61 N 4.57 -0.37 -1.00 5.45 0.00 -1.26 -0.92 120.51 126.98 1se9 n ALA 61 Ca -0.19 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1se9 n ALA 61 Cb 0.50 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.90 0.49 3.47 0.00 0.00 -1.26 -5.02 105.19 101.97 1se9 n GLY 62 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.14 3.59 -0.10 1.61 2.47 -0.10 -5.07 119.74 122.00 1se9 s LYS 63 Ca 0.00 -0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 53.56 1se9 s LYS 63 Cb 0.00 -2.84 -0.03 0.00 -1.46 0.00 0.00 37.83 33.49 1se9 s LYS 63 CO 0.00 0.25 1.39 0.08 0.16 0.00 0.00 175.35 177.23 1se9 s VAL 64 N 0.32 4.01 0.15 4.02 1.01 -1.26 -1.13 120.40 127.53 1se9 s VAL 64 Ca -0.05 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.87 1se9 s VAL 64 Cb -0.14 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1se9 s VAL 64 CO 0.04 -0.09 1.46 -0.76 0.00 0.00 0.00 175.10 175.74 1se9 s LEU 65 N 3.41 4.37 -0.01 3.92 1.02 0.43 -4.99 118.68 126.84 1se9 s LEU 65 Ca 0.61 2.48 -0.22 0.00 0.02 0.00 0.00 54.13 57.02 1se9 s LEU 65 Cb -0.26 -3.59 -0.05 0.00 0.02 0.00 0.00 46.19 42.30 1se9 s LEU 65 CO 0.21 -0.72 0.66 -0.70 0.02 0.00 0.00 176.35 175.82 1se9 s GLU 66 N 0.88 4.39 0.51 1.70 2.56 -1.26 -4.71 118.70 122.77 1se9 s GLU 66 Ca 0.66 0.84 0.20 0.00 0.00 0.00 0.00 54.97 56.66 1se9 s GLU 66 Cb -0.40 -3.38 1.28 0.00 2.00 0.00 0.00 34.13 33.63 1se9 s GLU 66 CO 0.32 0.26 2.04 -0.91 -0.56 0.00 0.00 175.26 176.42 1se9 h ASN 67 N 5.96 0.07 1.15 -1.70 2.35 -1.94 -1.55 115.58 119.93 1se9 h ASN 67 Ca -0.44 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 1se9 h ASN 67 Cb 1.20 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 1se9 h ASN 67 CO 0.72 0.05 -0.15 0.28 -1.65 0.00 0.00 177.43 176.67 1se9 h SER 68 N 0.08 0.00 -1.99 5.81 0.02 -1.95 -2.64 113.55 112.89 1se9 h SER 68 Ca 0.17 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.69 1se9 h SER 68 Cb 0.59 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.14 1se9 h SER 68 CO -0.02 0.15 -0.25 -0.54 -1.14 0.00 0.00 176.83 175.03 1se9 s LYS 69 N -3.54 3.01 0.47 3.45 1.02 -0.58 -4.88 119.74 118.69 1se9 s LYS 69 Ca 0.02 -0.93 -0.02 0.00 0.02 0.00 0.00 55.97 55.06 1se9 s LYS 69 Cb 0.09 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1se9 s LYS 69 CO 0.62 -0.13 0.72 0.95 -0.92 0.00 0.00 175.35 176.60 1se9 s THR 70 N -2.33 4.24 0.40 2.17 -4.23 -1.26 -0.08 115.64 114.55 1se9 s THR 70 Ca 0.48 -0.26 0.13 0.00 -1.18 0.00 0.00 61.69 60.86 1se9 s THR 70 Cb -0.10 -3.59 0.14 0.00 1.34 0.00 0.00 72.50 70.28 1se9 s THR 70 CO 0.33 -0.48 1.90 0.58 -0.54 0.00 0.00 174.62 176.41 1se9 h VAL 71 N 0.29 1.20 -0.57 2.29 2.07 -0.52 -2.50 116.25 118.51 1se9 h VAL 71 Ca -0.47 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.18 1se9 h VAL 71 Cb 1.24 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 1se9 h VAL 71 CO 0.59 0.27 0.38 0.50 0.02 0.00 0.00 177.57 179.34 1se9 h LYS 72 N 0.04 0.45 -0.02 1.57 3.64 -1.08 -1.81 116.57 119.36 1se9 h LYS 72 Ca 0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1se9 h LYS 72 Cb 0.49 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1se9 h LYS 72 CO 0.04 0.30 -0.30 0.22 -2.27 0.00 0.00 179.45 177.43 1se9 h ASP 73 N 0.46 0.03 0.52 4.20 3.58 -1.72 -2.20 116.42 121.29 1se9 h ASP 73 Ca 0.26 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1se9 h ASP 73 Cb 0.41 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1se9 h ASP 73 CO -0.07 0.33 -0.89 -1.22 -2.88 0.00 0.00 179.24 174.51 1se9 n TYR 74 N -4.17 0.30 -2.59 0.28 4.02 -0.73 -4.91 117.16 109.36 1se9 n TYR 74 Ca -0.02 0.09 -0.16 0.00 -0.01 0.00 0.00 57.90 57.80 1se9 n TYR 74 Cb 0.35 -0.45 0.08 0.00 -0.02 0.00 0.00 39.34 39.30 1se9 n TYR 74 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1se9 n ARG 75 N -1.94 0.20 -3.47 -0.72 3.00 -0.83 -5.08 116.66 107.83 1se9 n ARG 75 Ca 0.03 -1.96 -0.32 0.00 -0.01 0.00 0.00 57.85 55.58 1se9 n ARG 75 Cb 0.42 -0.42 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1se9 n ARG 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1se9 s SER 76 N -3.82 6.61 1.29 0.55 0.15 -1.26 -4.95 113.70 112.27 1se9 s SER 76 Ca 0.46 0.86 -0.18 0.00 0.70 0.00 0.00 55.95 57.80 1se9 s SER 76 Cb -0.03 -2.20 0.33 0.00 -1.71 0.00 0.00 66.02 62.40 1se9 s SER 76 CO 0.30 -0.03 0.98 -2.16 1.20 0.00 0.00 173.24 173.54 1se9 s PRO 77 N -2.71 -1.92 0.35 5.44 0.04 -1.26 -4.92 135.00 130.02 1se9 s PRO 77 Ca 0.45 0.45 0.14 0.00 0.04 0.00 0.00 61.00 62.08 1se9 s PRO 77 Cb -0.12 -1.47 0.64 0.00 0.04 0.00 0.00 34.50 33.59 1se9 s PRO 77 CO 0.22 -4.29 1.75 0.28 0.04 0.00 0.00 177.00 175.00 1se9 h VAL 78 N -3.01 1.19 -2.89 -0.36 2.07 -1.98 -3.33 116.25 107.94 1se9 h VAL 78 Ca -0.53 -1.56 -0.55 0.00 0.82 0.00 0.00 66.70 64.88 1se9 h VAL 78 Cb 1.34 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.92 1se9 h VAL 78 CO 0.40 0.43 1.10 -0.55 0.02 0.00 0.00 177.57 178.97 1se9 s SER 79 N -6.74 6.14 -0.25 0.57 0.15 -1.26 -3.61 113.70 108.70 1se9 s SER 79 Ca -0.02 0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.93 1se9 s SER 79 Cb 0.13 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1se9 s SER 79 CO 0.72 -1.68 0.35 -3.20 1.20 0.00 0.00 173.24 170.63 1se9 n ASN 80 N 9.52 -5.51 -4.78 5.45 5.15 -1.26 -5.07 115.26 118.75 1se9 n ASN 80 Ca 0.13 0.32 -0.26 0.00 -0.60 0.00 0.00 54.58 54.18 1se9 n ASN 80 Cb 0.49 -3.59 -0.06 0.00 -0.53 0.00 0.00 39.78 36.09 1se9 n ASN 80 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1se9 s LEU 81 N -1.94 2.93 -0.27 1.20 2.96 -1.24 -4.57 118.68 117.76 1se9 s LEU 81 Ca 0.15 -1.18 -0.03 0.00 -0.22 0.00 0.00 54.13 52.85 1se9 s LEU 81 Cb -0.04 -1.31 0.11 0.00 0.50 0.00 0.00 46.19 45.45 1se9 s LEU 81 CO 0.45 -0.70 0.21 0.00 -1.32 0.00 0.00 176.35 174.99 1se9 s ALA 82 N -2.67 0.03 -0.15 5.97 0.00 -1.26 -5.02 121.76 118.66 1se9 s ALA 82 Ca 0.35 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 1se9 s ALA 82 Cb 0.02 -1.53 -0.07 0.00 0.00 0.00 0.00 23.12 21.54 1se9 s ALA 82 CO 0.20 -1.59 2.85 0.41 0.00 0.00 0.00 175.76 177.63 1se9 n GLY 83 N 5.29 3.36 3.87 0.00 0.00 -1.26 -4.90 105.19 111.54 1se9 n GLY 83 Ca -0.04 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.25 3.23 -0.26 4.61 0.00 -1.26 -4.78 121.76 123.05 1se9 s ALA 84 Ca 0.46 -0.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 1se9 s ALA 84 Cb 0.26 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1se9 s ALA 84 CO -0.05 -0.24 0.91 0.08 0.00 0.00 0.00 175.76 176.46 1se9 s VAL 85 N -2.63 4.75 -0.08 0.00 1.01 -1.26 -4.27 120.40 117.92 1se9 s VAL 85 Ca 0.54 1.64 0.01 0.00 0.00 0.00 0.00 61.98 64.17 1se9 s VAL 85 Cb -0.10 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1se9 s VAL 85 CO 0.37 -0.18 -0.09 -0.89 0.00 0.00 0.00 175.10 174.31 1se9 s THR 86 N 3.05 3.51 -0.17 3.92 2.01 0.37 -4.96 115.64 123.37 1se9 s THR 86 Ca 0.38 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 1se9 s THR 86 Cb -0.15 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1se9 s THR 86 CO 0.09 0.58 -0.15 0.28 -0.69 0.00 0.00 174.62 174.73 1se9 s THR 87 N -0.54 2.62 -0.06 -0.82 -1.32 -1.26 0.01 115.64 114.27 1se9 s THR 87 Ca 0.08 -0.77 -0.04 0.00 -1.21 0.00 0.00 61.69 59.75 1se9 s THR 87 Cb -0.12 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1se9 s THR 87 CO 0.02 0.51 0.13 -0.04 -2.21 0.00 0.00 174.62 173.03 1se9 s MET 88 N 1.05 3.33 0.22 7.08 -1.94 -0.75 -4.93 119.30 123.36 1se9 s MET 88 Ca -0.01 -0.29 -0.23 0.00 -1.71 0.00 0.00 55.69 53.46 1se9 s MET 88 Cb -0.15 -3.06 -0.08 0.00 2.01 0.00 0.00 34.83 33.55 1se9 s MET 88 CO -0.04 0.71 0.78 -1.01 -0.01 0.00 0.00 175.02 175.45 1se9 s HIS 89 N -1.16 3.74 -0.06 -0.03 3.76 -0.74 -1.39 115.29 119.42 1se9 s HIS 89 Ca 0.21 1.54 0.04 0.00 -0.15 0.00 0.00 55.06 56.70 1se9 s HIS 89 Cb -0.12 -2.72 -0.02 0.00 1.11 0.00 0.00 32.58 30.83 1se9 s HIS 89 CO 0.11 0.38 -0.18 0.08 -0.85 0.00 0.00 174.74 174.27 1se9 s VAL 90 N -1.41 2.68 -0.34 -0.90 1.01 0.93 0.35 120.40 122.71 1se9 s VAL 90 Ca 0.42 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1se9 s VAL 90 Cb -0.19 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1se9 s VAL 90 CO 0.23 0.57 0.32 -0.63 0.00 0.00 0.00 175.10 175.60 1se9 s ILE 91 N -0.36 5.21 -0.55 2.22 1.01 0.90 -3.59 121.20 126.04 1se9 s ILE 91 Ca 0.03 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.40 1se9 s ILE 91 Cb -0.12 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1se9 s ILE 91 CO 0.02 -0.07 0.81 -0.63 0.00 0.00 0.00 174.94 175.06 1se9 s ILE 92 N 1.92 4.60 -0.29 2.92 1.09 -1.26 -2.65 121.20 127.53 1se9 s ILE 92 Ca 0.10 -0.17 -0.01 0.00 -1.10 0.00 0.00 60.65 59.46 1se9 s ILE 92 Cb -0.17 -4.46 0.05 0.00 -1.06 0.00 0.00 42.46 36.82 1se9 s ILE 92 CO 0.11 -1.03 -0.02 -1.10 -0.10 0.00 0.00 174.94 172.80 1se9 s GLN 93 N 3.37 2.50 0.55 2.79 -0.21 -1.24 -5.03 119.66 122.40 1se9 s GLN 93 Ca 0.22 -1.21 -0.17 0.00 0.02 0.00 0.00 55.36 54.22 1se9 s GLN 93 Cb -0.16 -3.11 -0.05 0.00 1.00 0.00 0.00 33.01 30.68 1se9 s GLN 93 CO 0.15 -0.57 1.05 0.00 -2.12 0.00 0.00 175.29 173.80 1se9 s ALA 94 N 1.26 2.80 1.00 6.09 0.00 -1.26 -4.42 121.76 127.22 1se9 s ALA 94 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1se9 s ALA 94 Cb -0.19 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1se9 s ALA 94 CO -0.02 -0.62 0.00 -2.30 0.00 0.00 0.00 175.76 172.82 1se9 n PRO 95 N -1.64 1.49 0.09 0.00 -0.02 -1.26 -4.87 135.00 128.79 1se9 n PRO 95 Ca 0.09 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.66 1se9 n PRO 95 Cb 0.53 0.00 0.56 0.00 -0.02 0.00 0.00 33.50 34.57 1se9 n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1se9 h VAL 96 N -0.33 0.97 -1.11 -1.45 2.07 -1.97 -3.33 116.25 111.11 1se9 h VAL 96 Ca 0.00 -0.08 -0.37 0.00 0.82 0.00 0.00 66.70 67.07 1se9 h VAL 96 Cb 0.00 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1se9 h VAL 96 CO 0.00 0.04 0.95 0.28 0.02 0.00 0.00 177.57 178.86 1se9 s THR 97 N -5.24 3.46 -0.30 2.57 -1.32 -1.26 -4.74 115.64 108.81 1se9 s THR 97 Ca -0.06 -0.23 -0.01 0.00 -1.21 0.00 0.00 61.69 60.18 1se9 s THR 97 Cb 0.18 -4.07 0.19 0.00 -1.51 0.00 0.00 72.50 67.29 1se9 s THR 97 CO 0.71 -1.02 0.65 -0.70 -2.21 0.00 0.00 174.62 172.05 1se9 s GLU 98 N 6.86 0.52 0.27 7.08 -6.30 -1.25 -3.03 118.70 122.85 1se9 s GLU 98 Ca 0.67 0.83 0.00 0.00 -2.50 0.00 0.00 54.97 53.97 1se9 s GLU 98 Cb -0.08 0.45 -0.03 0.00 0.00 0.00 0.00 34.13 34.47 1se9 s GLU 98 CO 0.05 -0.66 0.27 0.21 0.02 0.00 0.00 175.26 175.15 1se9 s LYS 99 N 2.87 1.53 0.26 4.30 2.20 -1.26 -5.05 119.74 124.59 1se9 s LYS 99 Ca 0.17 -1.73 0.10 0.00 -0.36 0.00 0.00 55.97 54.15 1se9 s LYS 99 Cb -0.13 0.34 0.85 0.00 -1.51 0.00 0.00 37.83 37.37 1se9 s LYS 99 CO -0.21 -0.57 1.19 -0.85 -0.36 0.00 0.00 175.35 174.55 1se9 n GLU 100 N -0.44 -0.05 0.00 4.03 0.28 -1.26 -5.05 120.64 118.15 1se9 n GLU 100 Ca 0.03 1.08 0.00 0.00 -0.16 0.00 0.00 57.16 58.11 1se9 n GLU 100 Cb 0.64 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 31.66 1se9 n GLU 100 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14