#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 -2.42 -3.49 0.62 0.00 -1.26 -5.07 120.51 108.89 1se9 n ALA 2 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.62 1se9 n ALA 2 Cb 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.62 0.29 0.10 0.00 -1.05 -1.26 -4.99 118.70 110.18 1se9 s GLU 3 Ca 0.00 0.65 0.23 0.00 -0.15 0.00 0.00 54.97 55.70 1se9 s GLU 3 Cb 0.00 -0.30 0.03 0.00 -0.44 0.00 0.00 34.13 33.42 1se9 s GLU 3 CO 0.00 -0.50 1.01 0.28 0.95 0.00 0.00 175.26 177.00 1se9 n VAL 4 N 5.36 0.32 -4.88 1.83 0.31 -1.26 -4.82 118.33 115.20 1se9 n VAL 4 Ca -0.05 -0.37 -0.33 0.00 -0.01 0.00 0.00 64.34 63.58 1se9 n VAL 4 Cb 0.50 -0.04 -0.13 0.00 -0.91 0.00 0.00 33.84 33.26 1se9 n VAL 4 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1se9 s HIS 5 N -3.28 2.71 0.54 3.52 5.65 -1.26 -5.12 115.29 118.06 1se9 s HIS 5 Ca 0.01 -0.15 -0.01 0.00 0.25 0.00 0.00 55.06 55.17 1se9 s HIS 5 Cb 0.13 -1.63 0.02 0.00 -1.18 0.00 0.00 32.58 29.91 1se9 s HIS 5 CO 0.80 0.20 0.79 1.21 -0.65 0.00 0.00 174.74 177.09 1se9 s ASN 6 N -0.74 5.44 0.51 9.88 3.84 -1.26 -5.10 114.94 127.51 1se9 s ASN 6 Ca 0.12 0.25 0.03 0.00 0.21 0.00 0.00 52.86 53.47 1se9 s ASN 6 Cb -0.11 -1.24 -0.00 0.00 -0.55 0.00 0.00 41.25 39.35 1se9 s ASN 6 CO 0.01 -1.05 0.13 -1.10 -2.79 0.00 0.00 177.10 172.30 1se9 s GLN 7 N -4.79 2.20 -0.11 0.43 -0.21 -1.26 -4.97 119.66 110.95 1se9 s GLN 7 Ca 0.54 -2.24 -0.04 0.00 0.02 0.00 0.00 55.36 53.64 1se9 s GLN 7 Cb -0.10 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.14 1se9 s GLN 7 CO 0.40 -0.41 0.03 -0.48 -2.12 0.00 0.00 175.29 172.71 1se9 s LEU 8 N -3.99 3.72 -0.14 2.90 2.34 -0.36 -4.30 118.68 118.84 1se9 s LEU 8 Ca 0.17 0.17 -0.19 0.00 0.06 0.00 0.00 54.13 54.34 1se9 s LEU 8 Cb 0.01 -1.88 -0.04 0.00 -0.56 0.00 0.00 46.19 43.73 1se9 s LEU 8 CO 0.10 0.34 0.50 -1.61 -1.06 0.00 0.00 176.35 174.62 1se9 s GLU 9 N -0.63 4.30 -0.03 1.48 2.02 -1.26 0.13 118.70 124.71 1se9 s GLU 9 Ca 0.11 0.46 0.07 0.00 0.02 0.00 0.00 54.97 55.63 1se9 s GLU 9 Cb -0.12 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.62 1se9 s GLU 9 CO 0.02 0.06 -0.24 0.42 0.02 0.00 0.00 175.26 175.53 1se9 s ILE 10 N 0.95 2.19 0.07 -1.63 1.01 0.27 -0.63 121.20 123.42 1se9 s ILE 10 Ca 0.26 -1.05 0.09 0.00 0.00 0.00 0.00 60.65 59.94 1se9 s ILE 10 Cb -0.15 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1se9 s ILE 10 CO 0.10 0.58 -0.23 -1.59 0.00 0.00 0.00 174.94 173.80 1se9 s LYS 11 N -0.57 1.47 -0.26 2.79 -2.85 0.79 -1.39 119.74 119.72 1se9 s LYS 11 Ca 0.08 -1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 53.86 1se9 s LYS 11 Cb -0.11 -1.69 -0.05 0.00 -2.06 0.00 0.00 37.83 33.93 1se9 s LYS 11 CO -0.00 0.42 0.18 -0.06 0.10 0.00 0.00 175.35 175.99 1se9 s PHE 12 N -0.90 3.26 -0.16 1.78 0.08 -1.21 -1.42 117.98 119.41 1se9 s PHE 12 Ca 0.10 0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.32 1se9 s PHE 12 Cb -0.10 -2.33 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 1se9 s PHE 12 CO 0.03 -0.06 -0.19 0.50 -0.10 0.00 0.00 175.22 175.39 1se9 s ARG 13 N 1.45 3.06 0.96 0.44 3.52 0.49 0.13 118.95 129.00 1se9 s ARG 13 Ca 0.07 -0.82 -0.14 0.00 -0.13 0.00 0.00 55.73 54.71 1se9 s ARG 13 Cb -0.15 -2.55 0.17 0.00 -1.56 0.00 0.00 34.95 30.87 1se9 s ARG 13 CO 0.08 -0.10 1.19 -0.51 -0.81 0.00 0.00 175.30 175.15 1se9 s LEU 14 N 1.04 2.03 0.36 -0.88 1.43 0.16 -0.27 118.68 122.55 1se9 s LEU 14 Ca -0.01 0.70 0.27 0.00 -1.03 0.00 0.00 54.13 54.06 1se9 s LEU 14 Cb -0.14 -2.87 1.07 0.00 0.03 0.00 0.00 46.19 44.28 1se9 s LEU 14 CO -0.06 -2.79 1.81 0.71 0.23 0.00 0.00 176.35 176.25 1se9 h THR 15 N -1.67 0.00 0.00 5.49 1.35 -1.65 -1.55 112.91 114.88 1se9 h THR 15 Ca -0.47 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1se9 h THR 15 Cb 1.30 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1se9 h THR 15 CO 0.51 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.25 1se9 n ASP 16 N -2.57 0.00 0.00 5.36 8.00 -1.26 -4.88 116.55 121.21 1se9 n ASP 16 Ca 0.02 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1se9 n ASP 16 Cb 0.28 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 1.24 0.79 3.77 0.44 0.00 -0.58 -5.02 105.19 105.83 1se9 n GLY 17 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.65 6.93 0.18 1.61 1.04 -1.26 -4.78 113.70 114.76 1se9 s SER 18 Ca 0.00 1.10 0.11 0.00 0.48 0.00 0.00 55.95 57.64 1se9 s SER 18 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 1se9 s SER 18 CO 0.00 0.14 -0.21 1.51 0.98 0.00 0.00 173.24 175.66 1se9 s ASP 19 N -0.32 3.61 -0.07 7.02 1.47 -1.26 0.36 116.67 127.49 1se9 s ASP 19 Ca 0.29 -0.79 -0.02 0.00 1.18 0.00 0.00 52.55 53.22 1se9 s ASP 19 Cb -0.18 -0.36 -0.03 0.00 -0.34 0.00 0.00 42.92 42.01 1se9 s ASP 19 CO 0.16 0.13 0.02 -0.63 0.68 0.00 0.00 175.17 175.52 1se9 s ILE 20 N -1.60 4.39 0.20 2.11 1.01 0.12 -4.97 121.20 122.45 1se9 s ILE 20 Ca 0.21 -0.29 -0.32 0.00 0.00 0.00 0.00 60.65 60.26 1se9 s ILE 20 Cb -0.08 -2.88 -0.15 0.00 0.01 0.00 0.00 42.46 39.36 1se9 s ILE 20 CO 0.11 0.55 1.12 0.61 0.00 0.00 0.00 174.94 177.33 1se9 n GLY 21 N 1.94 -0.05 3.76 6.18 0.00 -1.26 -3.31 105.19 112.46 1se9 n GLY 21 Ca -0.18 0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.66 3.50 0.15 1.61 0.04 -1.26 -4.74 135.00 133.63 1se9 s PRO 22 Ca 0.69 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.65 1se9 s PRO 22 Cb -0.81 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1se9 s PRO 22 CO 0.54 -0.80 -0.01 0.21 0.04 0.00 0.00 177.00 176.98 1se9 s LYS 23 N -2.83 1.02 0.01 4.56 2.20 -0.49 -4.91 119.74 119.29 1se9 s LYS 23 Ca 0.67 -1.47 -0.21 0.00 -0.36 0.00 0.00 55.97 54.60 1se9 s LYS 23 Cb -0.32 -0.17 -0.06 0.00 -1.51 0.00 0.00 37.83 35.77 1se9 s LYS 23 CO 0.38 -0.12 0.60 0.00 -0.36 0.00 0.00 175.35 175.85 1se9 s ALA 24 N -3.71 3.50 -0.04 3.13 0.00 -1.26 -0.57 121.76 122.81 1se9 s ALA 24 Ca 0.21 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1se9 s ALA 24 Cb 0.06 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1se9 s ALA 24 CO 0.02 0.21 -0.05 -0.06 0.00 0.00 0.00 175.76 175.87 1se9 s PHE 25 N -0.37 0.81 0.54 0.00 0.40 0.12 -4.93 117.98 114.56 1se9 s PHE 25 Ca 0.31 -0.24 -0.19 0.00 -0.60 0.00 0.00 56.93 56.21 1se9 s PHE 25 Cb -0.19 -0.69 -0.06 0.00 0.51 0.00 0.00 43.02 42.59 1se9 s PHE 25 CO 0.18 -0.19 1.12 -2.14 0.70 0.00 0.00 175.22 174.89 1se9 s PRO 26 N 0.84 3.38 0.55 0.24 0.02 -1.26 -1.23 135.00 137.54 1se9 s PRO 26 Ca -0.12 1.58 0.23 0.00 0.02 0.00 0.00 61.00 62.72 1se9 s PRO 26 Cb -0.14 -2.01 1.51 0.00 0.02 0.00 0.00 34.50 33.88 1se9 s PRO 26 CO 0.01 -0.82 2.15 -0.44 -0.33 0.00 0.00 177.00 177.57 1se9 h ASP 27 N 1.19 0.00 0.76 2.53 5.19 -1.94 -1.39 116.42 122.77 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 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1se9 h ASP 27 CO 0.57 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.69 1se9 n ALA 28 N -2.45 2.39 -1.93 3.45 0.00 -1.26 -0.37 120.51 120.34 1se9 n ALA 28 Ca -0.01 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1se9 n ALA 28 Cb 0.19 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.77 3.46 0.61 0.00 2.01 -0.53 -4.82 115.64 113.60 1se9 s THR 29 Ca 0.21 1.32 -0.12 0.00 0.31 0.00 0.00 61.69 63.41 1se9 s THR 29 Cb 0.19 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1se9 s THR 29 CO 0.49 0.25 1.03 0.42 -0.69 0.00 0.00 174.62 176.12 1se9 s THR 30 N -0.51 4.46 0.32 -0.82 -4.23 -1.26 -0.73 115.64 112.87 1se9 s THR 30 Ca 0.50 0.90 0.22 0.00 -1.18 0.00 0.00 61.69 62.13 1se9 s THR 30 Cb -0.33 -3.70 0.21 0.00 1.34 0.00 0.00 72.50 70.02 1se9 s THR 30 CO 0.40 -0.94 1.92 0.58 -0.54 0.00 0.00 174.62 176.04 1se9 h VAL 31 N -0.08 0.77 -0.08 2.29 2.07 -0.25 0.42 116.25 121.39 1se9 h VAL 31 Ca -0.45 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 1se9 h VAL 31 Cb 1.20 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1se9 h VAL 31 CO 0.60 0.23 0.04 -1.28 0.02 0.00 0.00 177.57 177.18 1se9 h SER 32 N 0.00 0.11 0.58 0.57 0.87 -1.53 0.15 113.55 114.30 1se9 h SER 32 Ca -0.00 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1se9 h SER 32 Cb 0.56 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1se9 h SER 32 CO 0.03 0.19 -0.35 0.00 -0.53 0.00 0.00 176.83 176.17 1se9 h ALA 33 N 0.92 1.17 -0.49 6.23 0.00 -1.70 0.21 119.26 125.60 1se9 h ALA 33 Ca 0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1se9 h ALA 33 Cb 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1se9 h ALA 33 CO -0.00 0.44 0.05 1.25 0.00 0.00 0.00 179.25 180.98 1se9 h LEU 34 N 0.00 0.80 -0.61 0.00 5.85 -0.56 -0.33 115.31 120.46 1se9 h LEU 34 Ca -0.00 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.30 1se9 h LEU 34 Cb 0.73 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1se9 h LEU 34 CO 0.05 0.88 -0.34 0.11 -0.34 0.00 0.00 178.44 178.80 1se9 h LYS 35 N 0.69 0.73 -0.82 1.25 1.57 0.05 -2.68 116.57 117.36 1se9 h LYS 35 Ca 0.14 -0.35 0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1se9 h LYS 35 Cb 0.44 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1se9 h LYS 35 CO 0.02 0.96 0.53 0.93 -0.57 0.00 0.00 179.45 181.32 1se9 h GLU 36 N 0.61 0.82 -0.47 3.15 4.39 -0.26 0.11 114.58 122.93 1se9 h GLU 36 Ca 0.06 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1se9 h GLU 36 Cb 0.87 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1se9 h GLU 36 CO 0.08 0.54 0.25 1.15 -1.16 0.00 0.00 179.01 179.87 1se9 h THR 37 N 0.84 1.17 -0.29 1.13 2.02 -0.75 -0.88 112.91 116.15 1se9 h THR 37 Ca 0.36 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1se9 h THR 37 Cb 0.32 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1se9 h THR 37 CO -0.14 0.18 0.14 0.58 0.37 0.00 0.00 175.52 176.65 1se9 h VAL 38 N 0.62 1.16 -0.48 3.16 2.07 -0.85 -0.43 116.25 121.50 1se9 h VAL 38 Ca 0.16 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1se9 h VAL 38 Cb 0.07 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1se9 h VAL 38 CO -0.03 0.16 0.32 0.40 0.02 0.00 0.00 177.57 178.44 1se9 h ILE 39 N 0.33 1.02 0.04 4.57 2.04 -0.52 0.71 117.51 125.70 1se9 h ILE 39 Ca 0.10 -0.17 -0.27 0.00 1.00 0.00 0.00 64.86 65.53 1se9 h ILE 39 Cb 0.13 0.49 0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1se9 h ILE 39 CO -0.01 0.09 -1.06 0.28 0.00 0.00 0.00 178.15 177.44 1se9 h SER 40 N 0.48 0.86 0.53 1.72 0.02 -0.71 -3.38 113.55 113.08 1se9 h SER 40 Ca 0.20 -0.77 -0.29 0.00 -0.84 0.00 0.00 61.79 60.09 1se9 h SER 40 Cb 0.18 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1se9 h SER 40 CO -0.05 1.53 -1.61 -0.33 -1.14 0.00 0.00 176.83 175.23 1se9 h GLU 41 N 0.29 0.04 -6.66 3.45 3.07 -0.32 -3.46 114.58 110.99 1se9 h GLU 41 Ca -0.14 -0.07 -0.50 0.00 -0.50 0.00 0.00 59.36 58.14 1se9 h GLU 41 Cb 1.73 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.64 1se9 h GLU 41 CO 0.21 0.67 0.14 -0.46 -1.40 0.00 0.00 179.01 178.17 1se9 s TRP 42 N -2.61 3.58 -0.38 4.33 -0.11 0.24 -4.96 118.94 119.03 1se9 s TRP 42 Ca -0.06 1.41 -0.27 0.00 1.22 0.00 0.00 56.10 58.40 1se9 s TRP 42 Cb 0.08 -2.65 -0.05 0.00 -1.50 0.00 0.00 33.47 29.36 1se9 s TRP 42 CO 0.82 0.25 2.16 -2.14 -4.62 0.00 0.00 176.95 173.42 1se9 s PRO 43 N -2.25 2.77 0.54 5.86 0.02 -1.26 -4.73 135.00 135.94 1se9 s PRO 43 Ca 0.47 1.54 0.32 0.00 0.02 0.00 0.00 61.00 63.35 1se9 s PRO 43 Cb -0.15 -4.41 1.45 0.00 0.02 0.00 0.00 34.50 31.41 1se9 s PRO 43 CO 0.20 -2.52 2.03 0.07 -0.33 0.00 0.00 177.00 176.45 1se9 h ARG 44 N 16.14 0.00 0.00 5.54 0.11 -1.88 -0.48 114.38 133.81 1se9 h ARG 44 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 1se9 h ARG 44 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1se9 h ARG 44 CO 1.07 0.08 0.00 0.39 0.10 0.00 0.00 179.97 181.61 1se9 n GLU 45 N -3.30 0.48 -2.72 0.08 1.02 -1.26 -4.75 120.64 110.19 1se9 n GLU 45 Ca -0.01 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 1se9 n GLU 45 Cb 0.28 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1se9 n GLU 45 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1se9 s LYS 46 N -2.45 4.21 0.40 3.49 2.20 -0.19 -5.04 119.74 122.37 1se9 s LYS 46 Ca 0.29 1.21 0.06 0.00 -0.36 0.00 0.00 55.97 57.16 1se9 s LYS 46 Cb 0.18 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1se9 s LYS 46 CO 0.38 -0.63 0.56 -1.83 -0.36 0.00 0.00 175.35 173.47 1se9 s GLU 47 N 3.15 2.94 -1.18 4.03 -1.05 -1.26 -4.40 118.70 120.93 1se9 s GLU 47 Ca 0.42 -1.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 1se9 s GLU 47 Cb -0.15 -2.74 0.00 0.00 -0.44 0.00 0.00 34.13 30.80 1se9 s GLU 47 CO 0.07 -0.18 0.00 -1.71 0.95 0.00 0.00 175.26 174.40 1se9 n ASN 48 N -1.84 -4.57 -1.19 0.83 5.15 -1.26 -4.93 115.26 107.45 1se9 n ASN 48 Ca 0.04 0.27 -0.01 0.00 -0.60 0.00 0.00 54.58 54.28 1se9 n ASN 48 Cb 0.59 -3.05 -0.00 0.00 -0.53 0.00 0.00 39.78 36.79 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 -1.31 2.47 3.65 8.20 0.00 -1.26 -4.68 105.19 112.26 1se9 n GLY 49 Ca -0.11 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.06 -0.28 0.23 1.61 -0.02 -1.26 -4.31 135.00 130.91 1se9 n PRO 50 Ca -0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1se9 n PRO 50 Cb 0.06 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 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 -3.72 0.00 -4.66 -0.52 4.81 -1.26 -4.78 118.16 108.03 1se9 n LYS 51 Ca 0.12 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.25 1se9 n LYS 51 Cb 0.52 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.48 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 -1.93 1.49 0.53 3.15 -4.23 -1.26 -4.24 115.64 109.15 1se9 s THR 52 Ca 0.00 -1.97 0.32 0.00 -1.18 0.00 0.00 61.69 58.86 1se9 s THR 52 Cb 0.00 -2.46 0.49 0.00 1.34 0.00 0.00 72.50 71.87 1se9 s THR 52 CO 0.00 0.00 1.87 0.58 -0.54 0.00 0.00 174.62 176.53 1se9 h VAL 53 N 1.47 0.53 -0.14 2.29 2.07 -1.88 -1.30 116.25 119.28 1se9 h VAL 53 Ca -0.44 -0.01 -0.21 0.00 0.82 0.00 0.00 66.70 66.87 1se9 h VAL 53 Cb 1.29 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1se9 h VAL 53 CO 0.76 0.00 -0.74 0.11 0.02 0.00 0.00 177.57 177.73 1se9 h LYS 54 N 0.02 0.67 0.00 1.57 1.57 -1.99 -3.34 116.57 115.08 1se9 h LYS 54 Ca 0.46 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1se9 h LYS 54 Cb 1.80 0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1se9 h LYS 54 CO -0.02 1.15 -1.00 -0.85 -0.57 0.00 0.00 179.45 178.16 1se9 n GLU 55 N -3.91 1.08 -3.39 3.15 0.00 -0.58 -4.86 120.64 112.13 1se9 n GLU 55 Ca -0.06 -0.03 -0.38 0.00 0.00 0.00 0.00 57.16 56.69 1se9 n GLU 55 Cb 0.72 -1.35 -0.08 0.00 0.00 0.00 0.00 31.44 30.73 1se9 n GLU 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1se9 s VAL 56 N -2.76 5.20 -0.09 3.84 0.11 -0.68 -3.94 120.40 122.06 1se9 s VAL 56 Ca 0.04 0.66 0.02 0.00 -2.93 0.00 0.00 61.98 59.77 1se9 s VAL 56 Cb 0.13 -3.72 -0.02 0.00 -1.53 0.00 0.00 36.38 31.25 1se9 s VAL 56 CO 0.73 0.23 -0.15 -0.54 -3.33 0.00 0.00 175.10 172.03 1se9 s LYS 57 N 1.50 2.99 -0.11 1.54 -0.14 -1.22 -4.83 119.74 119.48 1se9 s LYS 57 Ca 0.18 -0.73 -0.03 0.00 -1.36 0.00 0.00 55.97 54.03 1se9 s LYS 57 Cb -0.15 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 1se9 s LYS 57 CO 0.08 0.36 0.02 -0.51 -0.76 0.00 0.00 175.35 174.54 1se9 s LEU 58 N -0.05 3.65 -0.13 3.17 2.01 -1.26 -1.11 118.68 124.97 1se9 s LEU 58 Ca -0.04 0.14 0.00 0.00 0.01 0.00 0.00 54.13 54.25 1se9 s LEU 58 Cb -0.14 -1.85 0.02 0.00 0.01 0.00 0.00 46.19 44.23 1se9 s LEU 58 CO 0.04 0.34 -0.11 -0.63 1.01 0.00 0.00 176.35 176.99 1se9 s ILE 59 N -0.64 1.32 -0.19 -0.59 -1.09 0.12 -1.40 121.20 118.73 1se9 s ILE 59 Ca 0.11 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1se9 s ILE 59 Cb -0.12 -1.27 0.03 0.00 -1.58 0.00 0.00 42.46 39.52 1se9 s ILE 59 CO 0.02 0.42 -0.18 -0.94 -1.23 0.00 0.00 174.94 173.03 1se9 s SER 60 N 1.50 3.28 -1.87 3.58 1.04 0.88 -0.28 113.70 121.84 1se9 s SER 60 Ca 0.03 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1se9 s SER 60 Cb -0.13 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1se9 s SER 60 CO -0.08 -0.03 0.00 0.00 0.98 0.00 0.00 173.24 174.10 1se9 n ALA 61 N 4.61 -0.27 -0.20 5.32 0.00 -1.26 -0.94 120.51 127.76 1se9 n ALA 61 Ca -0.20 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1se9 n ALA 61 Cb 0.49 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.81 0.62 3.68 0.00 0.00 -1.26 -5.06 105.19 102.36 1se9 n GLY 62 Ca -0.18 0.00 -0.35 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 -0.80 3.63 0.08 1.61 3.01 -0.12 -5.05 119.74 122.11 1se9 s LYS 63 Ca 0.00 -0.33 -0.23 0.00 -1.01 0.00 0.00 55.97 54.40 1se9 s LYS 63 Cb 0.00 -3.09 -0.07 0.00 -1.01 0.00 0.00 37.83 33.66 1se9 s LYS 63 CO 0.00 0.46 0.71 0.54 0.51 0.00 0.00 175.35 177.57 1se9 s VAL 64 N -0.18 4.63 -0.26 3.17 0.11 -1.26 -0.08 120.40 126.53 1se9 s VAL 64 Ca 0.07 1.52 -0.13 0.00 -2.93 0.00 0.00 61.98 60.51 1se9 s VAL 64 Cb -0.12 -4.05 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 1se9 s VAL 64 CO 0.01 0.46 0.27 -0.76 -3.33 0.00 0.00 175.10 171.75 1se9 s LEU 65 N -0.66 4.05 0.53 2.54 1.02 -0.49 -4.96 118.68 120.71 1se9 s LEU 65 Ca 0.35 0.15 -0.19 0.00 0.02 0.00 0.00 54.13 54.45 1se9 s LEU 65 Cb -0.21 -2.26 -0.06 0.00 0.02 0.00 0.00 46.19 43.68 1se9 s LEU 65 CO 0.22 -0.08 1.10 -1.61 0.02 0.00 0.00 176.35 176.01 1se9 s GLU 66 N 1.73 3.46 0.53 1.70 8.01 -1.26 -4.64 118.70 128.22 1se9 s GLU 66 Ca 0.11 1.54 0.28 0.00 0.01 0.00 0.00 54.97 56.91 1se9 s GLU 66 Cb -0.15 -2.03 1.47 0.00 -4.31 0.00 0.00 34.13 29.11 1se9 s GLU 66 CO 0.09 -0.75 2.08 -2.95 0.01 0.00 0.00 175.26 173.74 1se9 h ASN 67 N 1.25 0.00 -0.15 -0.19 7.08 -1.95 -1.61 115.58 120.02 1se9 h ASN 67 Ca -0.50 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.72 1se9 h ASN 67 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 1se9 h ASN 67 CO 0.57 0.11 0.00 -1.20 -2.08 0.00 0.00 177.43 174.83 1se9 n SER 68 N -3.60 1.28 -4.97 6.14 7.64 -1.26 -1.72 113.62 117.14 1se9 n SER 68 Ca -0.02 -1.69 -0.22 0.00 1.01 0.00 0.00 58.87 57.95 1se9 n SER 68 Cb 0.24 -0.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.81 2.98 0.38 1.43 -0.14 -0.61 -4.94 119.74 117.03 1se9 s LYS 69 Ca 0.29 -0.68 0.08 0.00 -1.36 0.00 0.00 55.97 54.30 1se9 s LYS 69 Cb 0.15 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.65 1se9 s LYS 69 CO 0.23 -0.28 0.18 0.95 -0.76 0.00 0.00 175.35 175.67 1se9 s THR 70 N -2.50 2.67 0.27 2.17 -4.23 -1.26 0.32 115.64 113.08 1se9 s THR 70 Ca 0.49 -1.67 -0.03 0.00 -1.18 0.00 0.00 61.69 59.31 1se9 s THR 70 Cb -0.10 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 70.95 1se9 s THR 70 CO 0.36 -0.09 1.86 0.58 -0.54 0.00 0.00 174.62 176.79 1se9 h VAL 71 N 1.46 1.23 -0.80 2.29 2.07 -0.79 -2.36 116.25 119.34 1se9 h VAL 71 Ca -0.43 -0.69 0.11 0.00 0.82 0.00 0.00 66.70 66.51 1se9 h VAL 71 Cb 1.25 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1se9 h VAL 71 CO 0.65 0.28 0.52 0.50 0.02 0.00 0.00 177.57 179.55 1se9 h LYS 72 N 0.96 0.67 -0.27 1.57 3.64 -0.95 -1.50 116.57 120.69 1se9 h LYS 72 Ca 0.23 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1se9 h LYS 72 Cb 0.16 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1se9 h LYS 72 CO -0.02 0.44 -0.11 0.22 -2.27 0.00 0.00 179.45 177.71 1se9 h ASP 73 N 0.69 0.42 -0.28 4.20 3.58 -1.70 -1.74 116.42 121.59 1se9 h ASP 73 Ca 0.37 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1se9 h ASP 73 Cb 0.52 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1se9 h ASP 73 CO -0.15 0.57 0.00 -1.22 -2.88 0.00 0.00 179.24 175.56 1se9 n TYR 74 N -4.23 0.34 -3.88 0.28 4.01 -0.95 -4.90 117.16 107.84 1se9 n TYR 74 Ca 0.00 -0.17 -0.29 0.00 -0.16 0.00 0.00 57.90 57.28 1se9 n TYR 74 Cb 0.30 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.66 3.47 0.53 -0.72 1.81 -0.61 -5.08 118.95 116.70 1se9 s ARG 75 Ca 0.36 -0.43 -0.02 0.00 -1.72 0.00 0.00 55.73 53.91 1se9 s ARG 75 Cb 0.22 -2.98 0.01 0.00 -0.45 0.00 0.00 34.95 31.75 1se9 s ARG 75 CO 0.31 0.55 0.79 -1.54 -0.68 0.00 0.00 175.30 174.73 1se9 s SER 76 N -2.75 5.57 1.13 0.23 1.04 -1.26 -4.89 113.70 112.77 1se9 s SER 76 Ca 0.36 0.38 -0.15 0.00 0.48 0.00 0.00 55.95 57.02 1se9 s SER 76 Cb -0.12 -1.43 0.20 0.00 0.10 0.00 0.00 66.02 64.77 1se9 s SER 76 CO 0.28 -0.97 0.61 -2.65 0.98 0.00 0.00 173.24 171.49 1se9 n PRO 77 N -2.36 -1.91 -2.37 4.02 -0.02 -1.26 -4.74 135.00 126.37 1se9 n PRO 77 Ca 0.04 -0.53 -0.00 0.00 -2.02 0.00 0.00 63.50 60.99 1se9 n PRO 77 Cb 0.58 -1.99 -0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1se9 n PRO 77 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1se9 n VAL 78 N -4.66-12.70 -1.75 -1.45 3.14 -1.26 -4.83 118.33 94.82 1se9 n VAL 78 Ca 0.03 2.98 -0.43 0.00 -2.96 0.00 0.00 64.34 63.96 1se9 n VAL 78 Cb 0.57 -5.89 -0.03 0.00 -1.06 0.00 0.00 33.84 27.43 1se9 n VAL 78 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1se9 s SER 79 N -0.57 5.70 -0.17 6.55 0.01 -1.26 -4.94 113.70 119.01 1se9 s SER 79 Ca -0.02 1.76 -0.15 0.00 1.31 0.00 0.00 55.95 58.85 1se9 s SER 79 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1se9 s SER 79 CO 0.06 -1.79 0.33 0.21 0.41 0.00 0.00 173.24 172.47 1se9 s ASN 80 N 7.17 6.45 0.93 2.44 2.47 -1.26 -5.07 114.94 128.07 1se9 s ASN 80 Ca 0.92 0.52 -0.12 0.00 0.42 0.00 0.00 52.86 54.61 1se9 s ASN 80 Cb -0.30 -2.20 0.15 0.00 -1.45 0.00 0.00 41.25 37.44 1se9 s ASN 80 CO 0.35 0.05 1.11 -0.76 -3.72 0.00 0.00 177.10 174.12 1se9 s LEU 81 N 0.71 1.98 -1.26 3.21 1.43 -1.26 -4.74 118.68 118.75 1se9 s LEU 81 Ca 0.18 1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 54.31 1se9 s LEU 81 Cb -0.14 -3.51 0.14 0.00 0.03 0.00 0.00 46.19 42.72 1se9 s LEU 81 CO 0.05 -2.70 1.61 0.00 0.23 0.00 0.00 176.35 175.54 1se9 n ALA 82 N -3.89 4.08 0.05 4.21 0.00 -1.26 -4.51 120.51 119.19 1se9 n ALA 82 Ca 0.06 -4.14 -0.16 0.00 0.00 0.00 0.00 53.44 49.20 1se9 n ALA 82 Cb 0.57 -3.20 -0.14 0.00 0.00 0.00 0.00 19.45 16.68 1se9 n ALA 82 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1se9 h GLY 83 N 10.16 0.25 -4.35 0.00 0.00 -1.97 -3.46 103.07 103.70 1se9 h GLY 83 Ca 0.37 -0.64 -0.66 0.00 0.00 0.00 0.00 47.33 46.40 1se9 h GLY 83 CO 1.38 0.56 -0.72 0.00 0.00 0.00 0.00 176.54 177.76 1se9 s ALA 84 N -2.61 3.02 -0.06 3.60 0.00 -1.26 -5.10 121.76 119.34 1se9 s ALA 84 Ca -0.10 -1.20 -0.23 0.00 0.00 0.00 0.00 51.96 50.43 1se9 s ALA 84 Cb 0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1se9 s ALA 84 CO 0.84 0.65 0.70 0.08 0.00 0.00 0.00 175.76 178.03 1se9 s VAL 85 N -1.21 5.04 -0.29 0.00 1.01 -1.26 -4.81 120.40 118.87 1se9 s VAL 85 Ca 0.22 1.44 -0.29 0.00 0.00 0.00 0.00 61.98 63.35 1se9 s VAL 85 Cb -0.11 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1se9 s VAL 85 CO 0.14 0.26 1.14 -0.89 0.00 0.00 0.00 175.10 175.75 1se9 s THR 86 N 0.76 4.41 -0.30 3.92 2.01 0.20 -4.87 115.64 121.76 1se9 s THR 86 Ca 0.37 1.63 -0.11 0.00 0.31 0.00 0.00 61.69 63.89 1se9 s THR 86 Cb -0.18 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1se9 s THR 86 CO 0.18 -0.43 0.20 -0.89 -0.69 0.00 0.00 174.62 173.00 1se9 s THR 87 N 3.78 5.22 -0.09 -0.82 2.01 -1.26 -0.15 115.64 124.33 1se9 s THR 87 Ca 0.49 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 1se9 s THR 87 Cb -0.14 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1se9 s THR 87 CO 0.16 0.15 0.01 -0.04 -0.69 0.00 0.00 174.62 174.21 1se9 s MET 88 N 1.73 2.99 -0.11 4.92 -1.94 -0.51 -4.81 119.30 121.58 1se9 s MET 88 Ca 0.07 -0.40 -0.15 0.00 -1.71 0.00 0.00 55.69 53.49 1se9 s MET 88 Cb -0.16 -2.80 -0.05 0.00 2.01 0.00 0.00 34.83 33.82 1se9 s MET 88 CO 0.10 0.71 0.38 -1.01 -0.01 0.00 0.00 175.02 175.19 1se9 s HIS 89 N -0.89 3.55 -0.15 -0.03 3.76 0.62 -0.38 115.29 121.76 1se9 s HIS 89 Ca 0.13 0.80 -0.04 0.00 -0.15 0.00 0.00 55.06 55.80 1se9 s HIS 89 Cb -0.11 -2.40 -0.03 0.00 1.11 0.00 0.00 32.58 31.15 1se9 s HIS 89 CO 0.02 0.32 -0.02 0.08 -0.85 0.00 0.00 174.74 174.30 1se9 s VAL 90 N 0.12 4.08 -0.26 -0.90 1.01 0.63 0.12 120.40 125.21 1se9 s VAL 90 Ca 0.22 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1se9 s VAL 90 Cb -0.15 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1se9 s VAL 90 CO 0.08 0.50 0.29 -0.63 0.00 0.00 0.00 175.10 175.35 1se9 s ILE 91 N 0.20 5.24 -0.48 2.22 1.01 -0.26 -1.74 121.20 127.39 1se9 s ILE 91 Ca -0.01 0.42 -0.23 0.00 0.00 0.00 0.00 60.65 60.83 1se9 s ILE 91 Cb -0.13 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.74 1se9 s ILE 91 CO 0.02 0.23 0.81 -0.63 0.00 0.00 0.00 174.94 175.37 1se9 s ILE 92 N 1.71 4.61 -0.06 2.92 -1.09 -1.26 -3.39 121.20 124.64 1se9 s ILE 92 Ca 0.12 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1se9 s ILE 92 Cb -0.15 -4.37 0.02 0.00 -1.58 0.00 0.00 42.46 36.38 1se9 s ILE 92 CO 0.09 -0.82 -0.04 0.00 -1.23 0.00 0.00 174.94 172.94 1se9 s GLN 93 N 3.39 0.91 0.42 2.79 -2.07 -1.25 -5.04 119.66 118.80 1se9 s GLN 93 Ca 0.29 -0.09 -0.12 0.00 -1.82 0.00 0.00 55.36 53.62 1se9 s GLN 93 Cb -0.13 -0.98 -0.07 0.00 -1.09 0.00 0.00 33.01 30.74 1se9 s GLN 93 CO 0.21 -0.14 0.81 0.00 -1.32 0.00 0.00 175.29 174.84 1se9 s ALA 94 N 1.23 3.29 0.13 2.60 0.00 -1.26 -4.22 121.76 123.53 1se9 s ALA 94 Ca -0.06 -0.11 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 1se9 s ALA 94 Cb -0.14 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 1se9 s ALA 94 CO -0.02 -0.02 1.46 -2.14 0.00 0.00 0.00 175.76 175.03 1se9 s PRO 95 N -3.82 4.28 -1.27 0.00 0.02 -1.26 -4.89 135.00 128.06 1se9 s PRO 95 Ca 0.53 2.18 -0.18 0.00 0.02 0.00 0.00 61.00 63.56 1se9 s PRO 95 Cb -0.10 -3.21 0.08 0.00 0.02 0.00 0.00 34.50 31.29 1se9 s PRO 95 CO 0.30 -0.50 1.68 0.08 -0.33 0.00 0.00 177.00 178.23 1se9 s VAL 96 N 1.11 4.25 -1.24 3.83 1.01 -1.26 -4.83 120.40 123.26 1se9 s VAL 96 Ca 0.67 -1.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.52 1se9 s VAL 96 Cb -0.39 -5.15 0.12 0.00 0.00 0.00 0.00 36.38 30.96 1se9 s VAL 96 CO 0.31 -1.96 1.57 0.42 0.00 0.00 0.00 175.10 175.43 1se9 s THR 97 N 3.87 4.59 0.03 3.92 -4.23 -1.26 -4.97 115.64 117.59 1se9 s THR 97 Ca 0.52 -2.25 -0.11 0.00 -1.18 0.00 0.00 61.69 58.67 1se9 s THR 97 Cb 0.03 -5.04 -0.06 0.00 1.34 0.00 0.00 72.50 68.77 1se9 s THR 97 CO 0.06 -1.81 0.37 -0.70 -0.54 0.00 0.00 174.62 172.00 1se9 s GLU 98 N 2.88 3.78 0.04 3.99 2.12 -1.26 -4.84 118.70 125.42 1se9 s GLU 98 Ca 0.48 0.23 0.00 0.00 0.36 0.00 0.00 54.97 56.03 1se9 s GLU 98 Cb 0.00 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.28 1se9 s GLU 98 CO 0.03 0.64 0.00 1.17 -0.54 0.00 0.00 175.26 176.56 1se9 n LYS 99 N 1.37 -1.96 -1.69 4.30 4.81 -1.26 -4.89 118.16 118.84 1se9 n LYS 99 Ca -0.12 1.73 -0.42 0.00 -0.87 0.00 0.00 58.31 58.63 1se9 n LYS 99 Cb 0.53 -1.78 -0.03 0.00 0.02 0.00 0.00 35.03 33.77 1se9 n LYS 99 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1se9 s GLU 100 N -1.84 4.07 0.00 1.64 2.02 -1.26 -5.27 118.70 118.05 1se9 s GLU 100 Ca 0.00 2.54 0.16 0.00 0.02 0.00 0.00 54.97 57.69 1se9 s GLU 100 Cb 0.00 -4.17 0.13 0.00 0.10 0.00 0.00 34.13 30.19 1se9 s GLU 100 CO 0.00 -1.04 1.00 0.36 0.02 0.00 0.00 175.26 175.61