#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy9 n ASP 2 N 0.00 2.77 -0.38 0.00 5.75 -1.26 -4.68 116.55 118.76 1sy9 n ASP 2 Ca 0.00 -3.58 -0.02 0.00 -0.01 0.00 0.00 54.79 51.18 1sy9 n ASP 2 Cb 0.00 -0.61 0.11 0.00 -1.03 0.00 0.00 41.12 39.60 1sy9 n ASP 2 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1sy9 h GLN 3 N 1.13 1.32 -7.25 0.11 4.20 -2.13 -3.42 115.11 109.07 1sy9 h GLN 3 Ca 0.16 -0.08 -0.50 0.00 0.06 0.00 0.00 58.65 58.30 1sy9 h GLN 3 Cb 1.58 -0.30 0.07 0.00 0.30 0.00 0.00 27.48 29.13 1sy9 h GLN 3 CO 0.33 0.88 0.38 -0.48 -0.67 0.00 0.00 178.83 179.27 1sy9 s LEU 4 N -10.12 3.40 -0.23 1.46 0.05 -1.26 -5.05 118.68 106.92 1sy9 s LEU 4 Ca -0.13 1.70 -0.02 0.00 0.05 0.00 0.00 54.13 55.73 1sy9 s LEU 4 Cb 0.18 -4.52 0.07 0.00 -2.05 0.00 0.00 46.19 39.88 1sy9 s LEU 4 CO 0.82 -1.15 0.05 0.42 -0.55 0.00 0.00 176.35 175.94 1sy9 s THR 5 N -2.69 0.68 -1.02 5.48 -4.23 -1.26 -4.99 115.64 107.61 1sy9 s THR 5 Ca 0.61 -0.86 0.29 0.00 -1.18 0.00 0.00 61.69 60.55 1sy9 s THR 5 Cb -0.14 -1.27 0.25 0.00 1.34 0.00 0.00 72.50 72.68 1sy9 s THR 5 CO 0.42 -0.36 1.94 -0.62 -0.54 0.00 0.00 174.62 175.46 1sy9 n GLU 6 N 4.97 0.02 0.20 3.99 1.02 -1.26 -3.49 120.64 126.10 1sy9 n GLU 6 Ca -0.07 -0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.13 1sy9 n GLU 6 Cb 0.45 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.79 1sy9 n GLU 6 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1sy9 h GLU 7 N 0.00 0.00 0.00 3.49 4.11 -2.03 -2.36 114.58 117.79 1sy9 h GLU 7 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1sy9 h GLU 7 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1sy9 h GLU 7 CO 0.00 0.33 -0.30 1.96 0.07 0.00 0.00 179.01 181.07 1sy9 h GLN 8 N 0.00 0.00 -0.05 1.06 4.20 -2.01 -3.26 115.11 115.05 1sy9 h GLN 8 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1sy9 h GLN 8 Cb 0.74 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1sy9 h GLN 8 CO 0.04 0.30 -0.01 0.82 -0.67 0.00 0.00 178.83 179.31 1sy9 h ILE 9 N 0.00 0.95 0.00 2.54 1.08 -1.62 -1.29 117.51 119.16 1sy9 h ILE 9 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1sy9 h ILE 9 Cb 0.74 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.44 1sy9 h ILE 9 CO 0.04 0.00 -0.00 0.00 -0.69 0.00 0.00 178.15 177.50 1sy9 h ALA 10 N 1.05 1.00 0.27 1.87 0.00 -1.69 -2.07 119.26 119.70 1sy9 h ALA 10 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sy9 h ALA 10 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sy9 h ALA 10 CO -0.05 0.00 -0.13 1.49 0.00 0.00 0.00 179.25 180.56 1sy9 h GLU 11 N 0.00 -0.35 0.00 0.00 4.81 -1.36 -2.33 114.58 115.35 1sy9 h GLU 11 Ca -0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1sy9 h GLU 11 Cb 0.10 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1sy9 h GLU 11 CO 0.00 -0.00 -0.06 0.74 -0.73 0.00 0.00 179.01 178.96 1sy9 h PHE 12 N -0.77 0.00 -0.26 0.92 0.04 -1.31 -2.69 116.94 112.87 1sy9 h PHE 12 Ca -0.04 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.64 1sy9 h PHE 12 Cb 0.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1sy9 h PHE 12 CO 0.04 0.06 -0.19 -0.22 -0.60 0.00 0.00 178.31 177.39 1sy9 h LYS 13 N 0.00 0.58 0.00 1.51 3.64 -1.20 -2.40 116.57 118.70 1sy9 h LYS 13 Ca -0.00 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1sy9 h LYS 13 Cb 0.37 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1sy9 h LYS 13 CO 0.01 0.86 -0.25 0.93 -2.27 0.00 0.00 179.45 178.73 1sy9 h GLU 14 N 0.30 0.00 0.08 1.90 4.39 -1.09 -3.10 114.58 117.06 1sy9 h GLU 14 Ca 0.05 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.50 1sy9 h GLU 14 Cb 0.73 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1sy9 h GLU 14 CO 0.05 0.25 -1.14 0.00 -1.16 0.00 0.00 179.01 177.02 1sy9 h ALA 15 N 1.75 0.20 -0.76 3.43 0.00 -1.42 -3.32 119.26 119.13 1sy9 h ALA 15 Ca -0.00 -0.88 0.01 0.00 0.00 0.00 0.00 54.91 54.04 1sy9 h ALA 15 Cb 0.77 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1sy9 h ALA 15 CO 0.03 1.05 0.50 0.35 0.00 0.00 0.00 179.25 181.19 1sy9 h PHE 16 N 0.05 0.95 -0.81 0.00 3.57 -1.35 -2.09 116.94 117.27 1sy9 h PHE 16 Ca -0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1sy9 h PHE 16 Cb 1.88 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 1sy9 h PHE 16 CO 0.04 0.60 0.44 0.66 -2.23 0.00 0.00 178.31 177.82 1sy9 h SER 17 N 1.03 1.00 -0.98 0.41 4.64 -1.66 0.41 113.55 118.39 1sy9 h SER 17 Ca 0.28 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1sy9 h SER 17 Cb -0.11 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 61.67 1sy9 h SER 17 CO -0.06 0.80 0.65 0.25 -0.87 0.00 0.00 176.83 177.60 1sy9 h LEU 18 N 1.13 1.14 0.10 5.97 5.85 -1.53 -2.57 115.31 125.40 1sy9 h LEU 18 Ca 0.29 -0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.68 1sy9 h LEU 18 Cb 0.02 -0.28 0.02 0.00 0.37 0.00 0.00 40.66 40.78 1sy9 h LEU 18 CO -0.05 0.83 -1.25 -0.26 -0.34 0.00 0.00 178.44 177.37 1sy9 h PHE 19 N 1.34 0.75 -2.91 1.25 0.04 -1.25 -3.40 116.94 112.76 1sy9 h PHE 19 Ca 0.36 -0.51 -0.71 0.00 2.80 0.00 0.00 57.97 59.91 1sy9 h PHE 19 Cb -0.14 -0.05 -0.20 0.00 2.20 0.00 0.00 35.95 37.76 1sy9 h PHE 19 CO -0.00 1.37 0.37 0.34 -0.60 0.00 0.00 178.31 179.79 1sy9 s ASP 20 N -7.31 6.43 0.40 2.17 -1.08 0.14 -4.86 116.67 112.56 1sy9 s ASP 20 Ca -0.07 -1.83 0.13 0.00 -0.52 0.00 0.00 52.55 50.26 1sy9 s ASP 20 Cb 0.06 -2.32 0.81 0.00 -1.46 0.00 0.00 42.92 40.01 1sy9 s ASP 20 CO 0.91 -1.02 1.88 0.11 0.52 0.00 0.00 175.17 177.57 1sy9 h LYS 21 N 8.83 0.01 0.00 4.34 1.57 -1.79 -2.71 116.57 126.83 1sy9 h LYS 21 Ca -0.07 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1sy9 h LYS 21 Cb 1.06 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1sy9 h LYS 21 CO 1.04 0.31 0.00 -0.25 -0.57 0.00 0.00 179.45 179.99 1sy9 n ASP 22 N -4.18 0.00 -2.13 0.86 8.00 -1.26 -4.89 116.55 112.96 1sy9 n ASP 22 Ca -0.02 0.49 -0.19 0.00 0.71 0.00 0.00 54.79 55.78 1sy9 n ASP 22 Cb 0.35 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1sy9 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sy9 n GLY 23 N 1.49 0.25 0.31 0.44 0.00 -1.02 -4.82 105.19 101.84 1sy9 n GLY 23 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1sy9 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sy9 n ASP 24 N -1.69 1.15 0.00 1.61 5.68 -1.26 -4.92 116.55 117.12 1sy9 n ASP 24 Ca -0.21 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 1sy9 n ASP 24 Cb 0.65 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 1sy9 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sy9 n GLY 25 N 1.29 0.75 3.03 6.12 0.00 -1.26 -5.05 105.19 110.07 1sy9 n GLY 25 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1sy9 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sy9 s THR 26 N -2.56 0.02 -0.22 2.61 -4.23 -1.26 -4.12 115.64 105.88 1sy9 s THR 26 Ca 0.00 -0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 1sy9 s THR 26 Cb 0.00 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.56 1sy9 s THR 26 CO 0.00 -0.09 0.09 -0.63 -0.54 0.00 0.00 174.62 173.45 1sy9 s ILE 27 N -0.25 4.75 -0.09 2.99 -1.09 -1.16 -4.88 121.20 121.47 1sy9 s ILE 27 Ca -0.03 -0.03 -0.05 0.00 -2.23 0.00 0.00 60.65 58.30 1sy9 s ILE 27 Cb -0.03 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1sy9 s ILE 27 CO 0.00 0.39 0.12 -0.89 -1.23 0.00 0.00 174.94 173.33 1sy9 s THR 28 N 0.98 5.23 0.46 2.92 2.01 -1.26 -3.58 115.64 122.40 1sy9 s THR 28 Ca 0.05 0.03 0.36 0.00 0.31 0.00 0.00 61.69 62.43 1sy9 s THR 28 Cb -0.14 -3.30 0.55 0.00 0.01 0.00 0.00 72.50 69.62 1sy9 s THR 28 CO 0.03 0.55 1.54 0.35 -0.69 0.00 0.00 174.62 176.40 1sy9 n THR 29 N 1.78 -0.20 0.01 -0.82 -2.24 -1.26 0.65 114.28 112.21 1sy9 n THR 29 Ca -0.18 1.72 -0.11 0.00 -2.27 0.00 0.00 64.05 63.20 1sy9 n THR 29 Cb 0.54 -2.82 -0.06 0.00 -2.10 0.00 0.00 70.33 65.89 1sy9 n THR 29 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1sy9 h LYS 30 N 0.00 0.08 -0.02 -0.78 3.64 -2.00 -2.39 116.57 115.11 1sy9 h LYS 30 Ca 0.88 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 60.27 1sy9 h LYS 30 Cb 3.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 34.78 1sy9 h LYS 30 CO -0.37 0.06 -0.08 0.93 -2.27 0.00 0.00 179.45 177.72 1sy9 h GLU 31 N 0.08 -0.13 -0.95 1.90 5.08 -0.17 -2.51 114.58 117.88 1sy9 h GLU 31 Ca 0.02 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.52 1sy9 h GLU 31 Cb -0.00 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 1sy9 h GLU 31 CO -0.00 -0.08 0.61 1.25 -1.00 0.00 0.00 179.01 179.78 1sy9 h LEU 32 N -0.13 0.82 -1.99 1.33 7.12 -1.36 -0.83 115.31 120.27 1sy9 h LEU 32 Ca 0.04 0.04 0.23 0.00 0.13 0.00 0.00 57.88 58.33 1sy9 h LEU 32 Cb 0.18 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.16 1sy9 h LEU 32 CO -0.10 0.43 0.60 1.23 -0.13 0.00 0.00 178.44 180.47 1sy9 h GLY 33 N 0.88 0.00 1.07 3.75 0.00 -0.96 0.93 103.07 108.74 1sy9 h GLY 33 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 1sy9 h GLY 33 CO -0.24 0.00 0.12 -0.84 0.00 0.00 0.00 176.54 175.58 1sy9 h THR 34 N 0.00 1.27 -0.48 4.70 2.02 -1.20 -2.56 112.91 116.65 1sy9 h THR 34 Ca 0.38 -1.04 -0.13 0.00 0.77 0.00 0.00 66.41 66.39 1sy9 h THR 34 Cb 1.57 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1sy9 h THR 34 CO -0.00 0.39 -0.23 0.58 0.37 0.00 0.00 175.52 176.63 1sy9 h VAL 35 N 1.06 1.27 -1.00 3.16 2.07 -0.94 -3.11 116.25 118.76 1sy9 h VAL 35 Ca 0.21 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.35 1sy9 h VAL 35 Cb 0.44 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1sy9 h VAL 35 CO 0.01 0.48 0.66 0.24 0.02 0.00 0.00 177.57 178.98 1sy9 h MET 36 N 0.85 1.31 -0.96 1.57 2.86 -1.25 -2.41 114.93 116.91 1sy9 h MET 36 Ca 0.11 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1sy9 h MET 36 Cb 0.81 -0.30 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1sy9 h MET 36 CO 0.07 0.87 0.59 0.00 1.06 0.00 0.00 176.91 179.49 1sy9 h ARG 37 N 1.35 1.30 0.00 1.72 3.08 -1.07 -2.16 114.38 118.60 1sy9 h ARG 37 Ca 0.37 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1sy9 h ARG 37 Cb -0.15 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.62 1sy9 h ARG 37 CO -0.08 0.90 -0.11 1.03 -1.07 0.00 0.00 179.97 180.64 1sy9 h SER 38 N 1.32 0.00 0.91 7.04 0.87 -1.42 -2.35 113.55 119.92 1sy9 h SER 38 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1sy9 h SER 38 Cb -0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1sy9 h SER 38 CO -0.07 0.11 -0.87 -0.07 -0.53 0.00 0.00 176.83 175.41 1sy9 h LEU 39 N 0.00 0.00 0.00 2.23 -0.00 -1.32 -3.47 115.31 112.75 1sy9 h LEU 39 Ca -0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1sy9 h LEU 39 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1sy9 h LEU 39 CO 0.01 0.06 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 1sy9 n GLY 40 N 1.25 0.29 3.84 0.83 0.00 -0.88 -5.13 105.19 105.38 1sy9 n GLY 40 Ca 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1sy9 n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sy9 s GLN 41 N 0.00 1.41 -0.16 1.61 -2.07 -0.87 -4.87 119.66 114.71 1sy9 s GLN 41 Ca 0.00 -0.88 -0.10 0.00 -1.82 0.00 0.00 55.36 52.57 1sy9 s GLN 41 Cb 0.00 0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 32.29 1sy9 s GLN 41 CO 0.00 -0.66 0.17 1.21 -1.32 0.00 0.00 175.29 174.69 1sy9 s ASN 42 N -3.24 6.32 0.00 12.60 2.47 -1.26 -2.35 114.94 129.48 1sy9 s ASN 42 Ca 0.18 0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.84 1sy9 s ASN 42 Cb -0.03 -2.10 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 1sy9 s ASN 42 CO 0.05 0.24 0.00 -0.81 -3.72 0.00 0.00 177.10 172.87 1sy9 n PRO 43 N 2.99 2.53 -4.84 0.43 -0.04 -1.26 -4.99 135.00 129.82 1sy9 n PRO 43 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.04 1sy9 n PRO 43 Cb 0.53 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.84 1sy9 n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1sy9 s THR 44 N 0.00 1.45 0.61 0.52 -4.23 -1.26 -5.01 115.64 107.72 1sy9 s THR 44 Ca 0.00 -0.83 0.27 0.00 -1.18 0.00 0.00 61.69 59.95 1sy9 s THR 44 Cb 0.00 -1.22 0.36 0.00 1.34 0.00 0.00 72.50 72.98 1sy9 s THR 44 CO 0.00 0.37 1.68 1.05 -0.54 0.00 0.00 174.62 177.18 1sy9 h GLU 45 N 5.57 0.00 -0.17 3.99 4.11 -1.98 0.61 114.58 126.71 1sy9 h GLU 45 Ca -0.38 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.94 1sy9 h GLU 45 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1sy9 h GLU 45 CO 0.48 0.00 -0.32 0.00 0.07 0.00 0.00 179.01 179.24 1sy9 h ALA 46 N 1.09 0.27 -0.37 1.06 0.00 -2.01 -2.92 119.26 116.39 1sy9 h ALA 46 Ca 0.26 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1sy9 h ALA 46 Cb 1.69 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1sy9 h ALA 46 CO -0.00 0.31 -0.41 1.49 0.00 0.00 0.00 179.25 180.64 1sy9 h GLU 47 N 0.16 0.93 -0.89 0.00 4.81 -0.26 -2.95 114.58 116.38 1sy9 h GLU 47 Ca 0.01 -0.50 0.10 0.00 -0.13 0.00 0.00 59.36 58.84 1sy9 h GLU 47 Cb 0.91 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.25 1sy9 h GLU 47 CO 0.07 1.15 0.58 -0.07 -0.73 0.00 0.00 179.01 180.01 1sy9 h LEU 48 N 0.75 0.79 -0.76 1.64 3.38 -1.09 -1.68 115.31 118.35 1sy9 h LEU 48 Ca 0.06 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1sy9 h LEU 48 Cb 1.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1sy9 h LEU 48 CO 0.10 0.46 0.30 -0.61 0.09 0.00 0.00 178.44 178.78 1sy9 h GLN 49 N 0.87 1.13 -0.69 1.13 4.15 -1.33 -2.82 115.11 117.56 1sy9 h GLN 49 Ca 0.42 -0.21 -0.07 0.00 0.77 0.00 0.00 58.65 59.56 1sy9 h GLN 49 Cb 0.42 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1sy9 h GLN 49 CO -0.18 0.93 0.17 0.22 -1.93 0.00 0.00 178.83 178.04 1sy9 h ASP 50 N 1.10 1.03 -0.82 -0.69 1.82 -1.28 -1.98 116.42 115.59 1sy9 h ASP 50 Ca 0.25 -0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 56.64 1sy9 h ASP 50 Cb 0.22 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.92 1sy9 h ASP 50 CO -0.02 0.99 0.35 0.24 -1.61 0.00 0.00 179.24 179.19 1sy9 h MET 51 N 1.04 1.21 -0.42 0.28 2.86 -1.31 -2.69 114.93 115.90 1sy9 h MET 51 Ca 0.22 -0.21 -0.15 0.00 -2.06 0.00 0.00 59.70 57.50 1sy9 h MET 51 Cb 0.36 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1sy9 h MET 51 CO 0.00 0.96 -0.33 0.82 1.06 0.00 0.00 176.91 179.43 1sy9 h ILE 52 N 1.19 1.27 -0.74 -1.22 1.08 -1.27 -3.13 117.51 114.69 1sy9 h ILE 52 Ca 0.28 -1.50 -0.06 0.00 -0.39 0.00 0.00 64.86 63.18 1sy9 h ILE 52 Cb 0.18 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 1sy9 h ILE 52 CO -0.03 0.51 0.21 0.78 -0.69 0.00 0.00 178.15 178.94 1sy9 h ASN 53 N 0.80 1.09 0.63 1.72 -0.26 -1.10 0.83 115.58 119.28 1sy9 h ASN 53 Ca 0.08 -0.22 -0.08 0.00 -0.56 0.00 0.00 56.30 55.53 1sy9 h ASN 53 Cb 0.92 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.88 1sy9 h ASN 53 CO 0.09 1.02 -0.36 1.05 -1.06 0.00 0.00 177.43 178.16 1sy9 h GLU 54 N 1.10 0.00 0.00 0.81 4.11 -1.53 -2.97 114.58 116.10 1sy9 h GLU 54 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1sy9 h GLU 54 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1sy9 h GLU 54 CO -0.00 0.36 -1.00 0.28 0.07 0.00 0.00 179.01 178.72 1sy9 n VAL 55 N -3.72 0.00 -2.01 -1.06 0.31 -1.02 -4.87 118.33 105.96 1sy9 n VAL 55 Ca -0.01 -0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.95 1sy9 n VAL 55 Cb 0.45 0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 34.34 1sy9 n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1sy9 s ASP 56 N -3.00 5.19 0.24 4.52 1.01 0.28 -4.81 116.67 120.10 1sy9 s ASP 56 Ca 0.08 0.29 -0.03 0.00 0.71 0.00 0.00 52.55 53.60 1sy9 s ASP 56 Cb 0.16 -2.53 0.27 0.00 1.01 0.00 0.00 42.92 41.83 1sy9 s ASP 56 CO 0.87 -2.46 1.69 0.00 0.21 0.00 0.00 175.17 175.48 1sy9 h ALA 57 N 14.91 0.99 0.00 5.23 0.00 -1.88 -3.17 119.26 135.34 1sy9 h ALA 57 Ca -0.22 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.16 1sy9 h ALA 57 Cb 1.15 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1sy9 h ALA 57 CO 1.21 0.60 -1.79 -0.40 0.00 0.00 0.00 179.25 178.87 1sy9 n ASP 58 N -4.15 0.48 0.00 0.00 5.75 -1.26 -4.98 116.55 112.38 1sy9 n ASP 58 Ca 0.01 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1sy9 n ASP 58 Cb 0.38 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 1sy9 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sy9 n GLY 59 N 1.48 0.65 0.17 6.12 0.00 -1.20 -4.96 105.19 107.44 1sy9 n GLY 59 Ca -0.15 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1sy9 n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1sy9 h ASN 60 N 0.00 0.45 0.00 1.61 -1.07 -1.94 -3.47 115.58 111.16 1sy9 h ASN 60 Ca 0.00 -0.31 0.00 0.00 0.07 0.00 0.00 56.30 56.06 1sy9 h ASN 60 Cb 0.00 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.12 1sy9 h ASN 60 CO 0.00 1.05 0.00 0.61 0.07 0.00 0.00 177.43 179.16 1sy9 n GLY 61 N 0.61 0.68 3.22 9.14 0.00 -1.26 -5.13 105.19 112.45 1sy9 n GLY 61 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1sy9 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sy9 s THR 62 N -1.59 0.21 -0.25 2.61 -4.23 -1.26 -4.83 115.64 106.29 1sy9 s THR 62 Ca 0.00 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.44 1sy9 s THR 62 Cb 0.00 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1sy9 s THR 62 CO 0.00 -0.14 0.11 -0.63 -0.54 0.00 0.00 174.62 173.43 1sy9 s ILE 63 N -4.00 4.72 0.45 2.99 1.01 -1.23 -4.75 121.20 120.38 1sy9 s ILE 63 Ca 0.34 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 61.03 1sy9 s ILE 63 Cb 0.07 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.34 1sy9 s ILE 63 CO 0.10 0.32 0.62 -1.81 0.00 0.00 0.00 174.94 174.16 1sy9 s ASP 64 N 1.54 5.56 0.21 3.58 1.01 -1.26 -3.00 116.67 124.31 1sy9 s ASP 64 Ca 0.06 -0.37 -0.14 0.00 0.71 0.00 0.00 52.55 52.82 1sy9 s ASP 64 Cb -0.15 -0.66 0.23 0.00 1.01 0.00 0.00 42.92 43.35 1sy9 s ASP 64 CO 0.06 -0.86 1.63 -0.26 0.21 0.00 0.00 175.17 175.95 1sy9 h PHE 65 N 0.51 -0.33 -0.26 4.23 0.04 -2.00 0.11 116.94 119.25 1sy9 h PHE 65 Ca -0.40 0.06 -0.11 0.00 2.80 0.00 0.00 57.97 60.32 1sy9 h PHE 65 Cb 1.28 0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.66 1sy9 h PHE 65 CO 0.39 -0.27 -0.28 -1.00 -0.60 0.00 0.00 178.31 176.55 1sy9 h PRO 66 N 0.00 0.52 -0.38 1.51 0.13 -1.96 -2.62 132.00 129.20 1sy9 h PRO 66 Ca 0.30 -0.21 -0.16 0.00 -0.87 0.00 0.00 66.00 65.05 1sy9 h PRO 66 Cb 0.45 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1sy9 h PRO 66 CO -0.64 0.76 -0.41 0.93 -0.23 0.00 0.00 178.00 178.41 1sy9 h GLU 67 N 0.46 0.94 -0.72 0.86 5.08 -1.57 -3.02 114.58 116.61 1sy9 h GLU 67 Ca 0.06 -0.51 -0.05 0.00 -1.00 0.00 0.00 59.36 57.86 1sy9 h GLU 67 Cb 0.73 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1sy9 h GLU 67 CO 0.06 1.16 0.25 0.35 -1.00 0.00 0.00 179.01 179.83 1sy9 h PHE 68 N 0.76 1.13 -0.72 4.33 3.04 -0.71 -2.99 116.94 121.78 1sy9 h PHE 68 Ca 0.06 -0.10 -0.07 0.00 3.98 0.00 0.00 57.97 61.83 1sy9 h PHE 68 Cb 1.01 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.16 1sy9 h PHE 68 CO 0.06 0.88 0.18 -0.07 -2.02 0.00 0.00 178.31 177.34 1sy9 h LEU 69 N 1.04 1.09 -0.90 0.59 3.38 -1.45 -2.47 115.31 116.59 1sy9 h LEU 69 Ca 0.24 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sy9 h LEU 69 Cb 0.26 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1sy9 h LEU 69 CO -0.01 1.04 0.56 0.71 0.09 0.00 0.00 178.44 180.82 1sy9 h THR 70 N 1.09 1.24 -0.37 0.22 1.35 -1.39 -2.83 112.91 112.21 1sy9 h THR 70 Ca 0.23 -0.50 -0.16 0.00 -0.55 0.00 0.00 66.41 65.42 1sy9 h THR 70 Cb 0.37 -0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1sy9 h THR 70 CO 0.00 0.25 -0.41 -0.03 -0.25 0.00 0.00 175.52 175.08 1sy9 h MET 71 N 1.23 0.94 -0.00 4.72 1.85 -1.40 -2.76 114.93 119.49 1sy9 h MET 71 Ca 0.32 -0.51 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 1sy9 h MET 71 Cb -0.08 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 31.97 1sy9 h MET 71 CO -0.06 1.16 0.00 1.98 -0.40 0.00 0.00 176.91 179.59 1sy9 h MET 72 N 0.76 0.00 0.00 0.39 -1.53 -1.22 -1.78 114.93 111.55 1sy9 h MET 72 Ca 0.06 -0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.22 1sy9 h MET 72 Cb 1.01 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.04 1sy9 h MET 72 CO 0.10 0.01 -0.46 0.00 0.14 0.00 0.00 176.91 176.69 1sy9 h ALA 73 N 1.00 1.16 -0.19 0.39 0.00 -1.58 -3.08 119.26 116.96 1sy9 h ALA 73 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 1sy9 h ALA 73 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sy9 h ALA 73 CO -0.00 0.58 -0.72 0.00 0.00 0.00 0.00 179.25 179.11 1sy9 h ARG 74 N 0.00 0.83 -0.14 0.00 2.47 -1.24 -3.17 114.38 113.12 1sy9 h ARG 74 Ca -0.00 -0.63 -0.05 0.00 -1.26 0.00 0.00 59.98 58.03 1sy9 h ARG 74 Cb 0.86 0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.29 1sy9 h ARG 74 CO 0.06 1.25 -0.12 0.87 0.56 0.00 0.00 179.97 182.58 1sy9 h LYS 75 N 0.58 0.33 -0.95 0.04 1.79 -1.31 -2.72 116.57 114.33 1sy9 h LYS 75 Ca -0.04 -0.17 0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1sy9 h LYS 75 Cb 1.34 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.95 1sy9 h LYS 75 CO 0.15 0.71 0.63 0.52 -1.08 0.00 0.00 179.45 180.38 1sy9 h MET 76 N -0.04 1.25 0.08 3.15 2.86 -1.65 0.31 114.93 120.89 1sy9 h MET 76 Ca 0.02 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sy9 h MET 76 Cb 0.64 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1sy9 h MET 76 CO 0.03 0.83 -0.04 0.87 1.06 0.00 0.00 176.91 179.66 1sy9 h LYS 77 N 1.28 -0.11 -0.08 1.72 1.79 -1.57 -3.14 116.57 116.46 1sy9 h LYS 77 Ca 0.35 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.72 1sy9 h LYS 77 Cb -0.15 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 1sy9 h LYS 77 CO -0.07 0.23 -0.43 0.22 -1.08 0.00 0.00 179.45 178.32 1sy9 h ASP 78 N -0.46 0.20 -4.16 0.86 1.82 -1.35 -3.44 116.42 109.89 1sy9 h ASP 78 Ca -0.01 -0.08 -0.22 0.00 -0.39 0.00 0.00 57.03 56.32 1sy9 h ASP 78 Cb 0.39 -0.06 0.05 0.00 0.68 0.00 0.00 39.33 40.39 1sy9 h ASP 78 CO 0.02 0.61 0.07 0.41 -1.61 0.00 0.00 179.24 178.74 1sy9 n THR 79 N -4.01 0.00 -4.71 2.25 -1.04 0.11 -5.10 114.28 101.78 1sy9 n THR 79 Ca -0.02 -0.72 -0.26 0.00 -2.04 0.00 0.00 64.05 61.01 1sy9 n THR 79 Cb 0.48 -1.22 -0.14 0.00 -1.82 0.00 0.00 70.33 67.63 1sy9 n THR 79 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1sy9 s ASP 80 N -2.99 2.59 0.52 8.00 1.01 -1.26 -4.83 116.67 119.71 1sy9 s ASP 80 Ca 0.32 -0.53 0.22 0.00 0.71 0.00 0.00 52.55 53.27 1sy9 s ASP 80 Cb -0.02 -0.22 1.40 0.00 1.01 0.00 0.00 42.92 45.10 1sy9 s ASP 80 CO 0.22 0.18 2.13 0.77 0.21 0.00 0.00 175.17 178.68 1sy9 h SER 81 N 4.89 0.00 -0.79 0.27 4.64 -1.98 -1.66 113.55 118.92 1sy9 h SER 81 Ca -0.43 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1sy9 h SER 81 Cb 1.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 1sy9 h SER 81 CO 0.44 0.06 0.52 -0.33 -0.87 0.00 0.00 176.83 176.65 1sy9 h GLU 82 N 0.00 1.04 -0.37 4.77 5.08 -2.00 -0.99 114.58 122.12 1sy9 h GLU 82 Ca -0.00 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 1sy9 h GLU 82 Cb 0.13 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1sy9 h GLU 82 CO 0.01 0.70 -0.41 0.93 -1.00 0.00 0.00 179.01 179.23 1sy9 h GLU 83 N 1.07 0.94 -0.40 2.33 5.08 -1.72 -2.65 114.58 119.23 1sy9 h GLU 83 Ca 0.29 -0.51 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 1sy9 h GLU 83 Cb -0.11 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1sy9 h GLU 83 CO -0.06 1.16 -0.21 0.93 -1.00 0.00 0.00 179.01 179.83 1sy9 h GLU 84 N 0.75 0.80 -0.01 2.33 5.08 -1.35 -2.73 114.58 119.45 1sy9 h GLU 84 Ca 0.05 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1sy9 h GLU 84 Cb 1.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1sy9 h GLU 84 CO 0.10 0.94 0.00 0.82 -1.00 0.00 0.00 179.01 179.87 1sy9 h ILE 85 N 0.70 1.15 -1.00 3.13 2.04 -1.16 -2.20 117.51 120.17 1sy9 h ILE 85 Ca 0.10 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.56 1sy9 h ILE 85 Cb 0.73 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 1sy9 h ILE 85 CO 0.06 0.12 0.65 0.03 0.00 0.00 0.00 178.15 179.00 1sy9 h ARG 86 N -0.17 1.15 -0.32 2.37 3.08 -1.43 -2.20 114.38 116.86 1sy9 h ARG 86 Ca 0.00 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1sy9 h ARG 86 Cb 0.19 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1sy9 h ARG 86 CO -0.00 0.76 -0.28 0.93 -1.07 0.00 0.00 179.97 180.31 1sy9 h GLU 87 N 1.19 0.76 -0.27 0.04 5.08 -1.36 -2.87 114.58 117.14 1sy9 h GLU 87 Ca 0.42 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1sy9 h GLU 87 Cb 0.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1sy9 h GLU 87 CO -0.16 1.01 -0.02 0.00 -1.00 0.00 0.00 179.01 178.84 1sy9 h ALA 88 N 0.74 0.37 -0.30 3.43 0.00 -1.09 -2.23 119.26 120.19 1sy9 h ALA 88 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sy9 h ALA 88 Cb 0.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1sy9 h ALA 88 CO 0.07 0.13 0.20 0.35 0.00 0.00 0.00 179.25 180.00 1sy9 h PHE 89 N 0.27 0.37 -0.49 0.00 3.04 -1.48 -2.07 116.94 116.59 1sy9 h PHE 89 Ca 0.08 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1sy9 h PHE 89 Cb 0.46 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1sy9 h PHE 89 CO 0.04 0.23 0.32 -0.09 -2.02 0.00 0.00 178.31 176.79 1sy9 h ARG 90 N 0.40 0.64 -0.11 1.11 2.43 -1.46 -0.95 114.38 116.44 1sy9 h ARG 90 Ca 0.11 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1sy9 h ARG 90 Cb -0.05 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1sy9 h ARG 90 CO -0.02 0.43 -0.05 0.28 -1.51 0.00 0.00 179.97 179.10 1sy9 h VAL 91 N 0.66 1.31 -0.55 0.20 2.07 -0.78 -3.13 116.25 116.03 1sy9 h VAL 91 Ca 0.18 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1sy9 h VAL 91 Cb -0.07 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1sy9 h VAL 91 CO -0.04 0.30 0.10 -0.26 0.02 0.00 0.00 177.57 177.69 1sy9 h PHE 92 N -0.12 0.90 -0.82 1.57 0.04 -1.06 -3.36 116.94 114.10 1sy9 h PHE 92 Ca 0.03 -0.10 -0.50 0.00 2.80 0.00 0.00 57.97 60.20 1sy9 h PHE 92 Cb 0.49 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 38.31 1sy9 h PHE 92 CO 0.06 0.77 1.42 0.34 -0.60 0.00 0.00 178.31 180.31 1sy9 s ASP 93 N -6.58 5.98 0.15 2.17 2.15 -0.39 -4.78 116.67 115.37 1sy9 s ASP 93 Ca -0.10 -1.58 -0.12 0.00 0.43 0.00 0.00 52.55 51.19 1sy9 s ASP 93 Cb 0.15 -2.57 -0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1sy9 s ASP 93 CO 0.81 -2.02 1.55 0.11 -0.17 0.00 0.00 175.17 175.45 1sy9 h LYS 94 N 9.55 0.92 0.00 4.34 1.57 -1.79 -2.90 116.57 128.26 1sy9 h LYS 94 Ca 0.24 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1sy9 h LYS 94 Cb 0.96 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1sy9 h LYS 94 CO 1.35 1.02 -0.08 -0.40 -0.57 0.00 0.00 179.45 180.77 1sy9 n ASP 95 N -4.21 0.42 -2.54 0.86 5.75 -1.26 -4.92 116.55 110.65 1sy9 n ASP 95 Ca -0.00 0.45 -0.21 0.00 -0.01 0.00 0.00 54.79 55.02 1sy9 n ASP 95 Cb 0.41 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1sy9 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sy9 n GLY 96 N 1.41 -0.51 0.00 6.12 0.00 -1.09 -4.85 105.19 106.27 1sy9 n GLY 96 Ca 0.06 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1sy9 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sy9 n ASN 97 N -2.13 0.00 0.00 1.61 6.94 -1.26 -4.86 115.26 115.56 1sy9 n ASN 97 Ca -0.22 -0.95 0.00 0.00 -0.02 0.00 0.00 54.58 53.39 1sy9 n ASN 97 Cb 0.67 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 1sy9 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sy9 n GLY 98 N 0.80 1.29 2.90 4.83 0.00 -1.26 -5.02 105.19 108.73 1sy9 n GLY 98 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1sy9 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sy9 s TYR 99 N -2.42 0.30 -0.09 1.61 1.51 -1.26 -4.29 117.35 112.70 1sy9 s TYR 99 Ca 0.00 -0.04 -0.21 0.00 -1.01 0.00 0.00 57.07 55.81 1sy9 s TYR 99 Cb 0.00 -0.25 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 1sy9 s TYR 99 CO 0.00 -0.04 0.61 0.42 -1.11 0.00 0.00 175.55 175.43 1sy9 s ILE 100 N 0.22 5.11 0.12 2.71 1.01 -1.16 -4.95 121.20 124.26 1sy9 s ILE 100 Ca -0.02 1.24 0.06 0.00 0.00 0.00 0.00 60.65 61.93 1sy9 s ILE 100 Cb -0.05 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1sy9 s ILE 100 CO -0.01 0.28 -0.01 -0.44 0.00 0.00 0.00 174.94 174.76 1sy9 s SER 101 N 0.73 4.88 0.30 3.58 0.01 -1.26 -3.04 113.70 118.89 1sy9 s SER 101 Ca 0.33 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.38 1sy9 s SER 101 Cb -0.17 -1.10 0.76 0.00 0.21 0.00 0.00 66.02 65.73 1sy9 s SER 101 CO 0.15 0.15 1.73 0.00 0.41 0.00 0.00 173.24 175.68 1sy9 h ALA 102 N 3.25 1.59 -0.44 1.44 0.00 -1.90 0.67 119.26 123.86 1sy9 h ALA 102 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1sy9 h ALA 102 Cb 1.18 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1sy9 h ALA 102 CO 0.58 -0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.88 1sy9 h ALA 103 N 1.69 1.69 0.00 0.00 0.00 -1.96 -1.03 119.26 119.65 1sy9 h ALA 103 Ca 0.58 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.33 1sy9 h ALA 103 Cb 1.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1sy9 h ALA 103 CO -0.46 0.29 -0.61 0.93 0.00 0.00 0.00 179.25 179.40 1sy9 h GLU 104 N 0.59 0.00 -0.69 0.00 5.08 -0.05 -3.12 114.58 116.39 1sy9 h GLU 104 Ca 0.16 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1sy9 h GLU 104 Cb -0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1sy9 h GLU 104 CO -0.03 0.61 0.12 -0.07 -1.00 0.00 0.00 179.01 178.64 1sy9 h LEU 105 N 0.00 1.08 -1.51 1.33 4.07 -0.09 -2.75 115.31 117.44 1sy9 h LEU 105 Ca -0.01 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 57.71 1sy9 h LEU 105 Cb 1.21 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 42.64 1sy9 h LEU 105 CO 0.08 1.06 0.34 -0.09 -1.08 0.00 0.00 178.44 178.74 1sy9 h ARG 106 N 1.06 0.66 -0.61 1.13 2.43 -1.41 -2.61 114.38 115.04 1sy9 h ARG 106 Ca 0.21 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1sy9 h ARG 106 Cb 0.43 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1sy9 h ARG 106 CO 0.01 0.44 0.40 0.45 -1.51 0.00 0.00 179.97 179.76 1sy9 h HIS 107 N 0.68 0.77 -0.23 2.20 3.86 -1.53 -2.55 115.15 118.36 1sy9 h HIS 107 Ca 0.19 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.22 1sy9 h HIS 107 Cb -0.07 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.14 1sy9 h HIS 107 CO -0.00 0.49 -0.61 0.28 0.86 0.00 0.00 177.93 178.95 1sy9 h VAL 108 N 0.83 1.28 -0.14 2.45 2.07 -1.55 -2.44 116.25 118.76 1sy9 h VAL 108 Ca 0.22 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 65.96 1sy9 h VAL 108 Cb -0.09 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1sy9 h VAL 108 CO -0.05 0.58 0.01 0.24 0.02 0.00 0.00 177.57 178.37 1sy9 h MET 109 N 0.58 0.05 -0.45 1.57 2.07 -1.32 0.38 114.93 117.82 1sy9 h MET 109 Ca -0.01 -0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.55 1sy9 h MET 109 Cb 1.23 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.93 1sy9 h MET 109 CO 0.13 0.03 0.01 1.15 1.07 0.00 0.00 176.91 179.31 1sy9 h THR 110 N 0.05 1.26 0.00 2.22 2.02 -1.53 -2.28 112.91 114.65 1sy9 h THR 110 Ca 0.06 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 1sy9 h THR 110 Cb 0.07 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1sy9 h THR 110 CO -0.10 0.35 -0.12 0.78 0.37 0.00 0.00 175.52 176.80 1sy9 h ASN 111 N 0.64 0.00 0.31 4.18 2.35 -1.05 -1.39 115.58 120.62 1sy9 h ASN 111 Ca 0.13 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1sy9 h ASN 111 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1sy9 h ASN 111 CO 0.02 0.12 -0.48 -0.07 -1.65 0.00 0.00 177.43 175.38 1sy9 h LEU 112 N 0.00 0.22 0.00 1.61 3.38 0.31 -3.47 115.31 117.36 1sy9 h LEU 112 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1sy9 h LEU 112 Cb 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1sy9 h LEU 112 CO 0.02 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.82 1sy9 n GLY 113 N -0.05 1.81 3.20 0.83 0.00 -0.52 -5.02 105.19 105.45 1sy9 n GLY 113 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1sy9 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sy9 s GLU 114 N -0.34 1.79 -0.30 1.61 2.56 -0.97 -5.04 118.70 118.00 1sy9 s GLU 114 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 54.97 54.13 1sy9 s GLU 114 Cb 0.00 -1.66 -0.04 0.00 2.00 0.00 0.00 34.13 34.44 1sy9 s GLU 114 CO 0.00 0.39 0.21 0.15 -0.56 0.00 0.00 175.26 175.45 1sy9 s LYS 115 N -0.33 3.77 0.12 4.30 1.02 -1.26 -3.99 119.74 123.38 1sy9 s LYS 115 Ca 0.04 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.63 1sy9 s LYS 115 Cb -0.09 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 1sy9 s LYS 115 CO 0.00 -0.28 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.53 1sy9 s LEU 116 N 1.75 2.46 0.62 3.17 1.43 -1.26 -5.14 118.68 121.71 1sy9 s LEU 116 Ca 0.07 -0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 52.17 1sy9 s LEU 116 Cb -0.17 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 1sy9 s LEU 116 CO 0.11 -0.27 1.00 -0.89 0.23 0.00 0.00 176.35 176.53 1sy9 s THR 117 N -2.78 4.21 0.55 5.49 2.01 -1.26 -4.91 115.64 118.95 1sy9 s THR 117 Ca 0.11 0.54 0.22 0.00 0.31 0.00 0.00 61.69 62.87 1sy9 s THR 117 Cb -0.01 -3.69 0.32 0.00 0.01 0.00 0.00 72.50 69.13 1sy9 s THR 117 CO 0.01 -0.85 2.15 -0.78 -0.69 0.00 0.00 174.62 174.45 1sy9 h ASP 118 N -0.33 0.00 0.12 3.53 1.82 -2.01 0.20 116.42 119.76 1sy9 h ASP 118 Ca -0.45 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.11 1sy9 h ASP 118 Cb 1.22 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 1sy9 h ASP 118 CO 0.62 0.00 -0.29 -0.33 -1.61 0.00 0.00 179.24 177.63 1sy9 h GLU 119 N 0.00 0.27 -0.84 0.28 5.08 -2.00 -2.02 114.58 115.36 1sy9 h GLU 119 Ca 0.05 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1sy9 h GLU 119 Cb 0.21 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1sy9 h GLU 119 CO -0.00 0.54 0.38 1.49 -1.00 0.00 0.00 179.01 180.43 1sy9 h GLU 120 N 0.24 1.22 -0.37 2.33 4.57 -0.95 -2.36 114.58 119.26 1sy9 h GLU 120 Ca 0.03 -0.19 -0.17 0.00 -1.18 0.00 0.00 59.36 57.86 1sy9 h GLU 120 Cb 0.65 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1sy9 h GLU 120 CO 0.05 0.95 -0.41 0.28 -1.18 0.00 0.00 179.01 178.69 1sy9 h VAL 121 N 1.20 1.27 -0.50 0.32 2.07 -1.29 -3.09 116.25 116.22 1sy9 h VAL 121 Ca 0.28 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1sy9 h VAL 121 Cb 0.15 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1sy9 h VAL 121 CO -0.03 0.53 0.33 -0.78 0.02 0.00 0.00 177.57 177.64 1sy9 h ASP 122 N 0.76 0.58 -0.89 0.57 1.82 -1.06 -2.38 116.42 115.82 1sy9 h ASP 122 Ca 0.05 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1sy9 h ASP 122 Cb 1.01 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.83 1sy9 h ASP 122 CO 0.10 0.42 0.57 -0.08 -1.61 0.00 0.00 179.24 178.64 1sy9 h GLU 123 N 0.68 1.19 -0.92 0.28 4.81 -1.44 -1.65 114.58 117.53 1sy9 h GLU 123 Ca 0.18 -0.09 0.11 0.00 -0.13 0.00 0.00 59.36 59.44 1sy9 h GLU 123 Cb -0.08 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 28.97 1sy9 h GLU 123 CO -0.04 0.80 0.59 0.52 -0.73 0.00 0.00 179.01 180.15 1sy9 h MET 124 N 1.22 0.84 -0.46 1.92 2.86 -1.35 0.11 114.93 120.07 1sy9 h MET 124 Ca 0.32 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.81 1sy9 h MET 124 Cb -0.11 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.34 1sy9 h MET 124 CO -0.07 0.56 -0.12 0.82 1.06 0.00 0.00 176.91 179.16 1sy9 h ILE 125 N 0.87 1.26 -1.01 -1.22 1.08 -1.14 -3.06 117.51 114.30 1sy9 h ILE 125 Ca 0.44 -1.22 0.03 0.00 -0.39 0.00 0.00 64.86 63.72 1sy9 h ILE 125 Cb 0.50 1.04 -0.06 0.00 -3.07 0.00 0.00 36.82 35.23 1sy9 h ILE 125 CO -0.20 0.42 0.66 -0.09 -0.69 0.00 0.00 178.15 178.25 1sy9 h ARG 126 N 0.77 1.27 -1.00 2.37 2.43 -0.20 0.27 114.38 120.29 1sy9 h ARG 126 Ca 0.12 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1sy9 h ARG 126 Cb 0.63 -0.29 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1sy9 h ARG 126 CO 0.04 0.84 0.66 0.93 -1.51 0.00 0.00 179.97 180.93 1sy9 h GLU 127 N 1.31 1.31 -0.03 0.20 5.08 -1.32 -2.76 114.58 118.38 1sy9 h GLU 127 Ca 0.39 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1sy9 h GLU 127 Cb -0.05 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 28.91 1sy9 h GLU 127 CO -0.11 0.87 0.00 0.00 -1.00 0.00 0.00 179.01 178.77 1sy9 n ALA 128 N -2.38 2.46 -2.29 3.43 0.00 -1.00 -4.72 120.51 116.01 1sy9 n ALA 128 Ca 0.12 -0.67 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1sy9 n ALA 128 Cb 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1sy9 n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sy9 n ASP 129 N 1.22 4.88 -0.14 0.00 2.03 0.93 -4.74 116.55 120.72 1sy9 n ASP 129 Ca 0.13 -3.05 -0.11 0.00 0.52 0.00 0.00 54.79 52.28 1sy9 n ASP 129 Cb 0.54 -1.52 -0.01 0.00 -0.72 0.00 0.00 41.12 39.40 1sy9 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1sy9 h ILE 130 N 3.91 1.27 0.00 5.18 2.04 -1.84 -2.91 117.51 125.16 1sy9 h ILE 130 Ca 0.42 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1sy9 h ILE 130 Cb 0.66 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1sy9 h ILE 130 CO 1.63 0.40 -0.00 -2.24 0.00 0.00 0.00 178.15 177.94 1sy9 h ASP 131 N 0.63 0.00 0.00 1.72 2.03 -1.94 -3.47 116.42 115.40 1sy9 h ASP 131 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1sy9 h ASP 131 Cb 0.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1sy9 h ASP 131 CO 0.04 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.86 1sy9 n GLY 132 N 0.15 0.49 0.05 7.15 0.00 -1.10 -4.94 105.19 106.99 1sy9 n GLY 132 Ca 0.01 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.24 1sy9 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sy9 n ASP 133 N 1.76 0.47 0.00 1.61 5.75 -1.26 -4.91 116.55 119.97 1sy9 n ASP 133 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 1sy9 n ASP 133 Cb 0.12 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1sy9 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sy9 n GLY 134 N 1.41 0.75 3.01 6.12 0.00 -1.26 -5.04 105.19 110.18 1sy9 n GLY 134 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1sy9 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sy9 s GLN 135 N -0.50 0.40 -0.29 1.61 -0.21 -1.26 -4.65 119.66 114.75 1sy9 s GLN 135 Ca 0.00 -0.76 -0.18 0.00 0.02 0.00 0.00 55.36 54.44 1sy9 s GLN 135 Cb 0.00 0.08 -0.02 0.00 1.00 0.00 0.00 33.01 34.07 1sy9 s GLN 135 CO 0.00 -0.05 0.53 0.08 -2.12 0.00 0.00 175.29 173.73 1sy9 s VAL 136 N -1.96 5.04 0.82 1.09 1.01 -1.17 -4.76 120.40 120.46 1sy9 s VAL 136 Ca -0.10 0.73 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 1sy9 s VAL 136 Cb -0.06 -3.89 0.14 0.00 0.00 0.00 0.00 36.38 32.57 1sy9 s VAL 136 CO -0.03 -0.03 1.14 0.20 0.00 0.00 0.00 175.10 176.39 1sy9 s ASN 137 N 1.62 3.97 0.17 3.32 0.01 -1.26 -2.97 114.94 119.80 1sy9 s ASN 137 Ca 0.21 0.16 -0.11 0.00 -0.71 0.00 0.00 52.86 52.41 1sy9 s ASN 137 Cb -0.15 -0.47 0.06 0.00 0.41 0.00 0.00 41.25 41.10 1sy9 s ASN 137 CO 0.11 -2.15 1.67 0.22 -1.51 0.00 0.00 177.10 175.43 1sy9 h TYR 138 N -1.03 1.03 -0.38 2.20 5.03 -1.98 -1.83 116.97 120.02 1sy9 h TYR 138 Ca -0.42 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 60.74 1sy9 h TYR 138 Cb 1.27 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.25 1sy9 h TYR 138 CO -0.43 0.89 0.21 0.93 -1.32 0.00 0.00 178.16 178.44 1sy9 h GLU 139 N 0.88 0.53 -0.63 1.82 4.39 -1.96 -2.62 114.58 116.98 1sy9 h GLU 139 Ca 0.18 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 1sy9 h GLU 139 Cb 0.41 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1sy9 h GLU 139 CO 0.01 0.42 0.02 0.93 -1.16 0.00 0.00 179.01 179.24 1sy9 h GLU 140 N 0.49 1.09 -0.58 2.33 5.08 -1.86 -2.61 114.58 118.52 1sy9 h GLU 140 Ca 0.13 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1sy9 h GLU 140 Cb 0.05 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1sy9 h GLU 140 CO -0.02 1.05 0.39 0.35 -1.00 0.00 0.00 179.01 179.77 1sy9 h PHE 141 N 1.00 0.73 -0.39 4.33 3.57 -1.15 -2.53 116.94 122.50 1sy9 h PHE 141 Ca 0.18 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.54 1sy9 h PHE 141 Cb 0.54 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1sy9 h PHE 141 CO 0.04 0.46 -0.37 0.28 -2.23 0.00 0.00 178.31 176.49 1sy9 h VAL 142 N 0.79 1.27 -0.24 1.41 2.07 -1.40 -3.05 116.25 117.11 1sy9 h VAL 142 Ca 0.22 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1sy9 h VAL 142 Cb -0.09 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1sy9 h VAL 142 CO -0.05 0.52 0.16 -0.61 0.02 0.00 0.00 177.57 177.60 1sy9 h GLN 143 N 0.76 0.31 -0.96 1.57 4.15 -1.25 -1.40 115.11 118.28 1sy9 h GLN 143 Ca 0.07 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1sy9 h GLN 143 Cb 0.95 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.53 1sy9 h GLN 143 CO 0.09 0.21 0.63 1.98 -1.93 0.00 0.00 178.83 179.81 1sy9 h MET 144 N 0.32 1.28 -0.40 1.69 4.05 -1.49 -1.56 114.93 118.82 1sy9 h MET 144 Ca 0.09 -0.08 -0.16 0.00 -0.28 0.00 0.00 59.70 59.26 1sy9 h MET 144 Cb -0.04 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 30.47 1sy9 h MET 144 CO -0.02 0.85 -0.37 0.52 0.23 0.00 0.00 176.91 178.12 1sy9 h MET 145 N 1.31 0.95 -0.85 0.39 2.86 -1.36 -3.05 114.93 115.18 1sy9 h MET 145 Ca 0.35 -0.49 -0.23 0.00 -2.06 0.00 0.00 59.70 57.27 1sy9 h MET 145 Cb -0.14 0.01 -0.14 0.00 0.06 0.00 0.00 31.60 31.40 1sy9 h MET 145 CO -0.07 1.15 0.30 -2.37 1.06 0.00 0.00 176.91 176.98 1sy9 n THR 146 N -4.06 2.54 -3.47 2.22 5.66 -0.56 -4.90 114.28 111.71 1sy9 n THR 146 Ca -0.02 -1.36 -0.38 0.00 -3.05 0.00 0.00 64.05 59.24 1sy9 n THR 146 Cb 0.54 -0.46 -0.09 0.00 -1.55 0.00 0.00 70.33 68.76 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sy9 s ALA 147 N -2.55 3.56 -1.17 1.79 0.00 -0.61 -5.00 121.76 117.79 1sy9 s ALA 147 Ca 0.45 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.68 1sy9 s ALA 147 Cb 0.36 -2.59 0.07 0.00 0.00 0.00 0.00 23.12 20.96 1sy9 s ALA 147 CO 0.11 -0.50 0.80 1.63 0.00 0.00 0.00 175.76 177.80