#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 3.40 -0.38 0.00 8.00 -1.26 -4.65 116.55 121.66 1sy9 n ASP 2 Ca 0.00 -3.44 -0.02 0.00 0.71 0.00 0.00 54.79 52.04 1sy9 n ASP 2 Cb 0.00 -0.64 0.11 0.00 -0.02 0.00 0.00 41.12 40.56 1sy9 n ASP 2 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1sy9 h GLN 3 N 1.50 1.32 -7.48 -1.24 4.20 -2.13 -3.43 115.11 107.85 1sy9 h GLN 3 Ca 0.20 -0.08 -0.44 0.00 0.06 0.00 0.00 58.65 58.39 1sy9 h GLN 3 Cb 1.82 -0.30 0.16 0.00 0.30 0.00 0.00 27.48 29.46 1sy9 h GLN 3 CO 0.46 0.88 0.24 -0.51 -0.67 0.00 0.00 178.83 179.22 1sy9 s LEU 4 N -10.12 1.56 -0.16 1.46 1.43 -1.26 -5.07 118.68 106.52 1sy9 s LEU 4 Ca -0.13 0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 1sy9 s LEU 4 Cb 0.18 -2.81 0.08 0.00 0.03 0.00 0.00 46.19 43.66 1sy9 s LEU 4 CO 0.82 -3.27 0.27 0.42 0.23 0.00 0.00 176.35 174.82 1sy9 s THR 5 N -3.22 -0.42 0.20 5.49 -4.23 -1.26 -5.02 115.64 107.19 1sy9 s THR 5 Ca 0.68 0.16 0.18 0.00 -1.18 0.00 0.00 61.69 61.54 1sy9 s THR 5 Cb -0.12 -0.53 0.13 0.00 1.34 0.00 0.00 72.50 73.32 1sy9 s THR 5 CO 0.55 0.03 1.74 -0.33 -0.54 0.00 0.00 174.62 176.07 1sy9 h GLU 6 N 8.28 0.00 0.00 3.99 5.08 -1.98 -3.04 114.58 126.92 1sy9 h GLU 6 Ca -0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1sy9 h GLU 6 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1sy9 h GLU 6 CO 0.18 0.38 -0.01 1.05 -1.00 0.00 0.00 179.01 179.61 1sy9 h GLU 7 N 0.00 0.00 -0.29 2.33 4.11 -2.02 -1.96 114.58 116.75 1sy9 h GLU 7 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 1sy9 h GLU 7 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1sy9 h GLU 7 CO 0.05 0.01 -0.48 1.96 0.07 0.00 0.00 179.01 180.62 1sy9 h GLN 8 N 0.00 0.80 -0.65 1.06 4.20 -1.97 -3.18 115.11 115.36 1sy9 h GLN 8 Ca -0.00 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 58.21 1sy9 h GLN 8 Cb 0.21 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1sy9 h GLN 8 CO 0.00 1.09 0.24 0.82 -0.67 0.00 0.00 178.83 180.32 1sy9 h ILE 9 N 0.63 1.23 -0.95 2.54 2.04 -1.52 -2.76 117.51 118.73 1sy9 h ILE 9 Ca 0.03 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1sy9 h ILE 9 Cb 1.06 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1sy9 h ILE 9 CO 0.10 0.30 0.58 0.00 0.00 0.00 0.00 178.15 179.13 1sy9 h ALA 10 N 1.32 1.25 -0.96 1.87 0.00 -1.53 -2.22 119.26 118.99 1sy9 h ALA 10 Ca 0.22 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sy9 h ALA 10 Cb 0.20 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1sy9 h ALA 10 CO -0.02 0.66 0.64 0.93 0.00 0.00 0.00 179.25 181.46 1sy9 h GLU 11 N 1.30 1.27 0.00 0.00 5.08 -1.54 -1.04 114.58 119.65 1sy9 h GLU 11 Ca 0.34 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1sy9 h GLU 11 Cb -0.08 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 28.88 1sy9 h GLU 11 CO -0.07 0.84 -0.04 0.74 -1.00 0.00 0.00 179.01 179.48 1sy9 h PHE 12 N 1.31 0.00 -0.36 4.33 0.04 -1.35 -2.40 116.94 118.52 1sy9 h PHE 12 Ca 0.35 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.98 1sy9 h PHE 12 Cb -0.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1sy9 h PHE 12 CO 0.00 0.04 -0.32 0.87 -0.60 0.00 0.00 178.31 178.31 1sy9 h LYS 13 N 0.00 0.85 0.00 1.51 1.79 -1.05 -2.21 116.57 117.46 1sy9 h LYS 13 Ca -0.00 -0.43 -0.05 0.00 -2.18 0.00 0.00 60.65 57.99 1sy9 h LYS 13 Cb 0.24 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1sy9 h LYS 13 CO 0.01 1.07 -0.22 0.93 -1.08 0.00 0.00 179.45 180.16 1sy9 h GLU 14 N 0.65 0.00 0.11 3.15 5.08 -1.43 -3.06 114.58 119.07 1sy9 h GLU 14 Ca 0.06 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.15 1sy9 h GLU 14 Cb 0.90 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.16 1sy9 h GLU 14 CO 0.08 0.22 -1.19 0.00 -1.00 0.00 0.00 179.01 177.12 1sy9 h ALA 15 N 1.78 0.14 -0.85 3.43 0.00 -1.31 -3.31 119.26 119.13 1sy9 h ALA 15 Ca -0.00 -0.84 0.04 0.00 0.00 0.00 0.00 54.91 54.11 1sy9 h ALA 15 Cb 0.77 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1sy9 h ALA 15 CO 0.03 0.92 0.56 0.35 0.00 0.00 0.00 179.25 181.10 1sy9 h PHE 16 N 0.11 1.00 -0.68 0.00 3.04 -1.29 -1.62 116.94 117.51 1sy9 h PHE 16 Ca -0.13 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 1sy9 h PHE 16 Cb 1.90 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 40.04 1sy9 h PHE 16 CO 0.07 0.57 0.39 0.66 -2.02 0.00 0.00 178.31 177.97 1sy9 h SER 17 N 1.02 0.82 -1.01 0.41 4.64 -1.65 0.17 113.55 117.96 1sy9 h SER 17 Ca 0.35 -0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1sy9 h SER 17 Cb 0.09 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 1sy9 h SER 17 CO -0.11 0.65 0.67 0.25 -0.87 0.00 0.00 176.83 177.42 1sy9 h LEU 18 N 0.94 1.16 0.02 5.97 7.12 -1.43 -2.49 115.31 126.58 1sy9 h LEU 18 Ca 0.24 -0.03 -0.26 0.00 0.13 0.00 0.00 57.88 57.96 1sy9 h LEU 18 Cb -0.00 -0.29 0.01 0.00 -0.53 0.00 0.00 40.66 39.85 1sy9 h LEU 18 CO -0.04 0.84 -1.15 -0.26 -0.13 0.00 0.00 178.44 177.70 1sy9 h PHE 19 N 1.37 0.64 -2.87 1.25 0.04 -1.26 -3.40 116.94 112.71 1sy9 h PHE 19 Ca 0.37 -0.41 -0.70 0.00 2.80 0.00 0.00 57.97 60.03 1sy9 h PHE 19 Cb -0.16 -0.05 -0.19 0.00 2.20 0.00 0.00 35.95 37.75 1sy9 h PHE 19 CO -0.00 1.28 0.37 0.34 -0.60 0.00 0.00 178.31 179.69 1sy9 s ASP 20 N -7.19 6.39 0.41 2.17 -1.08 0.51 -4.66 116.67 113.23 1sy9 s ASP 20 Ca -0.06 -1.73 0.09 0.00 -0.52 0.00 0.00 52.55 50.33 1sy9 s ASP 20 Cb 0.07 -2.33 0.88 0.00 -1.46 0.00 0.00 42.92 40.08 1sy9 s ASP 20 CO 0.89 -1.07 2.01 0.11 0.52 0.00 0.00 175.17 177.63 1sy9 h LYS 21 N 8.93 0.36 0.00 4.34 1.79 -1.79 -2.28 116.57 127.92 1sy9 h LYS 21 Ca -0.11 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1sy9 h LYS 21 Cb 1.06 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1sy9 h LYS 21 CO 1.06 0.32 0.00 -0.25 -1.08 0.00 0.00 179.45 179.51 1sy9 n ASP 22 N -4.40 0.07 -2.21 0.86 8.00 -1.26 -4.89 116.55 112.72 1sy9 n ASP 22 Ca 0.01 0.51 -0.17 0.00 0.71 0.00 0.00 54.79 55.84 1sy9 n ASP 22 Cb 0.15 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 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 1.39 -0.02 0.47 0.44 0.00 -0.86 -4.82 105.19 101.79 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 -1.71 1.62 0.00 1.61 5.75 -1.26 -4.94 116.55 117.62 1sy9 n ASP 24 Ca -0.20 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1sy9 n ASP 24 Cb 0.64 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 1sy9 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sy9 n GLY 25 N 1.30 0.70 2.96 6.12 0.00 -1.26 -5.06 105.19 109.94 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 -2.41 0.01 -0.17 2.61 -4.23 -1.26 -4.33 115.64 105.86 1sy9 s THR 26 Ca 0.00 -0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.36 1sy9 s THR 26 Cb 0.00 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.67 1sy9 s THR 26 CO 0.00 -0.05 0.03 -0.63 -0.54 0.00 0.00 174.62 173.43 1sy9 s ILE 27 N -0.12 4.51 0.05 2.99 1.01 -1.26 -4.86 121.20 123.52 1sy9 s ILE 27 Ca -0.02 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.55 1sy9 s ILE 27 Cb -0.01 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1sy9 s ILE 27 CO 0.00 0.47 -0.11 0.42 0.00 0.00 0.00 174.94 175.73 1sy9 s THR 28 N 0.34 3.32 0.53 2.92 -4.23 -1.26 -3.12 115.64 114.14 1sy9 s THR 28 Ca 0.01 -1.07 0.44 0.00 -1.18 0.00 0.00 61.69 59.89 1sy9 s THR 28 Cb -0.13 -2.48 0.65 0.00 1.34 0.00 0.00 72.50 71.89 1sy9 s THR 28 CO 0.01 0.27 1.64 0.71 -0.54 0.00 0.00 174.62 176.71 1sy9 h THR 29 N 3.61 0.12 -0.07 3.99 1.35 -1.91 0.44 112.91 120.45 1sy9 h THR 29 Ca -0.48 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1sy9 h THR 29 Cb 1.16 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1sy9 h THR 29 CO 0.52 0.00 0.01 0.11 -0.25 0.00 0.00 175.52 175.91 1sy9 h LYS 30 N 0.02 0.11 0.68 4.72 1.79 -1.99 -1.64 116.57 120.26 1sy9 h LYS 30 Ca 0.83 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 59.24 1sy9 h LYS 30 Cb 3.21 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 33.85 1sy9 h LYS 30 CO -0.08 0.35 -0.33 0.93 -1.08 0.00 0.00 179.45 179.24 1sy9 h GLU 31 N -0.13 -0.88 -0.25 3.15 5.08 -0.50 -2.94 114.58 118.09 1sy9 h GLU 31 Ca 0.02 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1sy9 h GLU 31 Cb 0.29 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1sy9 h GLU 31 CO 0.00 -0.58 0.08 1.25 -1.00 0.00 0.00 179.01 178.77 1sy9 h LEU 32 N -0.94 0.32 -1.61 1.33 5.85 -1.58 -2.44 115.31 116.25 1sy9 h LEU 32 Ca -0.09 -0.03 0.24 0.00 0.84 0.00 0.00 57.88 58.84 1sy9 h LEU 32 Cb 0.71 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 1sy9 h LEU 32 CO 0.15 0.31 0.64 1.23 -0.34 0.00 0.00 178.44 180.43 1sy9 h GLY 33 N 0.52 0.72 1.13 3.75 0.00 -1.10 0.11 103.07 108.20 1sy9 h GLY 33 Ca 0.09 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 1sy9 h GLY 33 CO -0.01 -0.04 -0.41 -0.84 0.00 0.00 0.00 176.54 175.25 1sy9 h THR 34 N 0.29 1.27 0.72 4.70 2.02 -1.46 -2.03 112.91 118.42 1sy9 h THR 34 Ca 0.50 -1.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 1sy9 h THR 34 Cb 1.44 1.41 0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1sy9 h THR 34 CO -0.16 0.53 -0.35 0.58 0.37 0.00 0.00 175.52 176.49 1sy9 h VAL 35 N 0.76 0.17 -0.00 3.16 2.07 -0.90 -2.58 116.25 118.92 1sy9 h VAL 35 Ca 0.06 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1sy9 h VAL 35 Cb 1.01 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1sy9 h VAL 35 CO 0.10 0.02 0.00 0.24 0.02 0.00 0.00 177.57 177.95 1sy9 h MET 36 N -1.14 0.00 0.04 1.57 2.86 -1.53 -0.08 114.93 116.65 1sy9 h MET 36 Ca -0.10 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1sy9 h MET 36 Cb 0.77 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1sy9 h MET 36 CO 0.16 0.00 -0.02 -0.09 1.06 0.00 0.00 176.91 178.03 1sy9 h ARG 37 N 0.00 -0.05 0.00 1.72 1.12 -1.18 0.85 114.38 116.85 1sy9 h ARG 37 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1sy9 h ARG 37 Cb 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 29.97 1sy9 h ARG 37 CO -0.00 0.01 -0.00 1.03 -3.11 0.00 0.00 179.97 177.89 1sy9 h SER 38 N -0.09 0.00 -0.01 -3.80 0.87 -1.02 -3.03 113.55 106.48 1sy9 h SER 38 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sy9 h SER 38 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1sy9 h SER 38 CO 0.01 0.00 -0.13 0.18 -0.53 0.00 0.00 176.83 176.36 1sy9 n LEU 39 N -3.10 2.43 0.00 2.23 4.32 -0.10 -4.95 117.00 117.84 1sy9 n LEU 39 Ca 0.02 -0.82 0.00 0.00 -0.02 0.00 0.00 56.01 55.19 1sy9 n LEU 39 Cb 0.41 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 1sy9 n LEU 39 CO 0.30 0.42 0.00 0.61 -1.22 0.00 0.00 177.39 177.50 1sy9 n GLY 40 N 1.34 -1.65 3.48 -0.72 0.00 0.25 -4.95 105.19 102.94 1sy9 n GLY 40 Ca 0.13 0.58 -0.10 0.00 0.00 0.00 0.00 46.02 46.63 1sy9 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sy9 s GLN 41 N 0.00 1.20 -0.39 1.61 0.74 0.15 -4.85 119.66 118.12 1sy9 s GLN 41 Ca 0.00 -0.47 -0.04 0.00 0.05 0.00 0.00 55.36 54.90 1sy9 s GLN 41 Cb 0.00 0.53 0.09 0.00 1.10 0.00 0.00 33.01 34.73 1sy9 s GLN 41 CO 0.00 -0.53 0.18 1.21 -0.55 0.00 0.00 175.29 175.60 1sy9 s ASN 42 N -2.70 5.29 0.00 6.67 2.47 -1.26 -2.78 114.94 122.63 1sy9 s ASN 42 Ca 0.03 -1.73 0.00 0.00 0.42 0.00 0.00 52.86 51.58 1sy9 s ASN 42 Cb -0.01 -1.85 0.00 0.00 -1.45 0.00 0.00 41.25 37.94 1sy9 s ASN 42 CO -0.10 -0.48 0.00 -0.81 -3.72 0.00 0.00 177.10 171.98 1sy9 n PRO 43 N 4.69 2.48 -4.20 0.43 -0.04 -1.26 -5.03 135.00 132.08 1sy9 n PRO 43 Ca -0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 1sy9 n PRO 43 Cb 0.42 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.99 0.62 0.52 -4.23 -1.26 -4.99 115.64 107.29 1sy9 s THR 44 Ca 0.00 -1.82 0.29 0.00 -1.18 0.00 0.00 61.69 58.97 1sy9 s THR 44 Cb 0.00 -1.57 0.34 0.00 1.34 0.00 0.00 72.50 72.61 1sy9 s THR 44 CO 0.00 -0.66 1.89 -0.33 -0.54 0.00 0.00 174.62 174.98 1sy9 h GLU 45 N 3.21 0.00 0.50 3.99 5.08 -1.96 0.88 114.58 126.28 1sy9 h GLU 45 Ca -0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1sy9 h GLU 45 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1sy9 h GLU 45 CO 0.58 0.00 -0.24 0.00 -1.00 0.00 0.00 179.01 178.35 1sy9 h ALA 46 N 1.39 -0.68 -0.32 3.43 0.00 -2.00 -2.21 119.26 118.88 1sy9 h ALA 46 Ca 0.12 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1sy9 h ALA 46 Cb 0.96 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1sy9 h ALA 46 CO -0.00 -0.63 -0.26 1.49 0.00 0.00 0.00 179.25 179.85 1sy9 h GLU 47 N -1.18 0.63 -0.59 0.00 4.81 -1.70 -2.60 114.58 113.95 1sy9 h GLU 47 Ca -0.07 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1sy9 h GLU 47 Cb 0.52 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1sy9 h GLU 47 CO 0.11 0.83 0.39 -0.07 -0.73 0.00 0.00 179.01 179.55 1sy9 h LEU 48 N 0.55 0.55 -0.73 1.64 3.38 0.68 -1.95 115.31 119.42 1sy9 h LEU 48 Ca 0.07 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1sy9 h LEU 48 Cb 0.74 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1sy9 h LEU 48 CO 0.06 0.37 0.16 -0.61 0.09 0.00 0.00 178.44 178.50 1sy9 h GLN 49 N 0.63 1.12 -0.70 1.13 4.15 -0.98 -2.97 115.11 117.49 1sy9 h GLN 49 Ca 0.25 -0.28 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 1sy9 h GLN 49 Cb 0.18 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1sy9 h GLN 49 CO -0.07 1.00 0.15 0.22 -1.93 0.00 0.00 178.83 178.20 1sy9 h ASP 50 N 1.06 1.09 -0.75 -0.69 1.82 -1.35 -2.08 116.42 115.52 1sy9 h ASP 50 Ca 0.22 -0.24 0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1sy9 h ASP 50 Cb 0.39 -0.29 -0.04 0.00 0.68 0.00 0.00 39.33 40.07 1sy9 h ASP 50 CO 0.00 1.05 0.50 0.24 -1.61 0.00 0.00 179.24 179.42 1sy9 h MET 51 N 1.07 0.99 -0.35 0.28 2.86 -1.37 -2.43 114.93 115.99 1sy9 h MET 51 Ca 0.22 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 1sy9 h MET 51 Cb 0.40 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1sy9 h MET 51 CO 0.01 0.66 -0.28 0.82 1.06 0.00 0.00 176.91 179.17 1sy9 h ILE 52 N 1.02 1.28 -0.94 -1.22 1.08 -1.37 -3.10 117.51 114.25 1sy9 h ILE 52 Ca 0.28 -1.41 -0.01 0.00 -0.39 0.00 0.00 64.86 63.33 1sy9 h ILE 52 Cb -0.12 1.31 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 1sy9 h ILE 52 CO -0.06 0.46 0.56 0.78 -0.69 0.00 0.00 178.15 179.21 1sy9 h ASN 53 N 0.62 1.14 0.59 1.72 2.35 -0.89 0.45 115.58 121.56 1sy9 h ASN 53 Ca 0.08 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1sy9 h ASN 53 Cb 0.79 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1sy9 h ASN 53 CO 0.07 0.88 -0.41 -0.08 -1.65 0.00 0.00 177.43 176.23 1sy9 h GLU 54 N 1.31 0.00 -0.00 0.81 4.81 -1.47 -2.98 114.58 117.06 1sy9 h GLU 54 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1sy9 h GLU 54 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1sy9 h GLU 54 CO -0.06 0.41 -0.78 0.28 -0.73 0.00 0.00 179.01 178.13 1sy9 n VAL 55 N -3.80 0.00 -2.29 0.32 0.31 -0.79 -4.81 118.33 107.27 1sy9 n VAL 55 Ca -0.01 -0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.94 1sy9 n VAL 55 Cb 0.48 0.67 -0.03 0.00 -0.91 0.00 0.00 33.84 34.05 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 5.72 0.24 4.52 1.01 0.15 -4.82 116.67 120.50 1sy9 s ASP 56 Ca 0.09 -0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.07 1sy9 s ASP 56 Cb 0.17 -2.55 0.27 0.00 1.01 0.00 0.00 42.92 41.81 1sy9 s ASP 56 CO 0.79 -2.13 1.60 0.00 0.21 0.00 0.00 175.17 175.65 1sy9 h ALA 57 N 12.07 0.89 0.00 5.23 0.00 -1.87 -3.18 119.26 132.41 1sy9 h ALA 57 Ca -0.16 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.10 1sy9 h ALA 57 Cb 1.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1sy9 h ALA 57 CO 1.27 0.65 -1.55 -0.40 0.00 0.00 0.00 179.25 179.21 1sy9 n ASP 58 N -3.99 0.75 0.00 0.00 5.75 -1.26 -4.98 116.55 112.82 1sy9 n ASP 58 Ca -0.02 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.10 1sy9 n ASP 58 Cb 0.54 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 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 1.44 0.64 0.15 6.12 0.00 -1.20 -4.96 105.19 107.38 1sy9 n GLY 59 Ca -0.12 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.00 1.61 -1.07 -1.93 -3.47 115.58 110.71 1sy9 h ASN 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1sy9 h ASN 60 Cb 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1sy9 h ASN 60 CO 0.00 0.51 0.00 0.61 0.07 0.00 0.00 177.43 178.62 1sy9 n GLY 61 N 0.75 0.74 3.41 9.14 0.00 -1.26 -5.10 105.19 112.87 1sy9 n GLY 61 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 0.89 0.58 2.61 -4.23 -1.26 -4.92 115.64 107.30 1sy9 s THR 62 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1sy9 s THR 62 Cb 0.00 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.18 1sy9 s THR 62 CO 0.00 0.00 0.85 -0.63 -0.54 0.00 0.00 174.62 174.30 1sy9 s ILE 63 N -3.46 3.09 0.00 2.99 1.01 -1.18 -4.78 121.20 118.87 1sy9 s ILE 63 Ca 0.36 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 1sy9 s ILE 63 Cb 0.08 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.34 1sy9 s ILE 63 CO 0.15 -0.19 0.22 -1.81 0.00 0.00 0.00 174.94 173.31 1sy9 s ASP 64 N -4.38 -0.07 0.23 3.58 1.01 -1.26 -4.17 116.67 111.62 1sy9 s ASP 64 Ca 0.55 -0.10 -0.16 0.00 0.71 0.00 0.00 52.55 53.55 1sy9 s ASP 64 Cb -0.10 0.26 0.26 0.00 1.01 0.00 0.00 42.92 44.34 1sy9 s ASP 64 CO 0.42 -0.43 1.58 -0.26 0.21 0.00 0.00 175.17 176.69 1sy9 h PHE 65 N 3.99 -0.78 0.00 4.23 0.04 -2.00 0.41 116.94 122.83 1sy9 h PHE 65 Ca -0.30 0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.45 1sy9 h PHE 65 Cb 1.19 0.47 -0.01 0.00 2.20 0.00 0.00 35.95 39.79 1sy9 h PHE 65 CO 0.55 -0.38 -0.46 -1.00 -0.60 0.00 0.00 178.31 176.42 1sy9 h PRO 66 N -0.05 0.00 -0.10 1.51 0.13 -1.97 -2.57 132.00 128.96 1sy9 h PRO 66 Ca 0.34 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.37 1sy9 h PRO 66 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1sy9 h PRO 66 CO -0.85 0.46 -0.31 0.93 -0.23 0.00 0.00 178.00 178.00 1sy9 h GLU 67 N 0.00 0.38 -0.59 0.86 5.08 -0.79 -2.61 114.58 116.91 1sy9 h GLU 67 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1sy9 h GLU 67 Cb 0.83 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1sy9 h GLU 67 CO 0.06 0.90 0.38 0.35 -1.00 0.00 0.00 179.01 179.70 1sy9 h PHE 68 N -0.07 0.77 -0.47 4.33 3.04 -0.36 -2.56 116.94 121.62 1sy9 h PHE 68 Ca -0.01 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.85 1sy9 h PHE 68 Cb 0.94 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 1sy9 h PHE 68 CO 0.12 0.51 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.76 1sy9 h LEU 69 N 0.80 0.89 -0.82 0.59 3.38 -1.51 -2.70 115.31 115.94 1sy9 h LEU 69 Ca 0.22 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1sy9 h LEU 69 Cb -0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1sy9 h LEU 69 CO -0.04 1.03 0.37 0.71 0.09 0.00 0.00 178.44 180.60 1sy9 h THR 70 N 0.73 1.26 -0.21 0.22 1.35 -1.32 -2.71 112.91 112.23 1sy9 h THR 70 Ca 0.12 -0.77 -0.03 0.00 -0.55 0.00 0.00 66.41 65.18 1sy9 h THR 70 Cb 0.63 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1sy9 h THR 70 CO 0.04 0.32 -0.01 -0.03 -0.25 0.00 0.00 175.52 175.60 1sy9 h MET 71 N 1.18 0.37 -0.00 4.72 1.85 -1.39 -2.58 114.93 119.08 1sy9 h MET 71 Ca 0.28 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 59.25 1sy9 h MET 71 Cb 0.16 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.15 1sy9 h MET 71 CO -0.03 0.57 0.00 1.98 -0.40 0.00 0.00 176.91 179.03 1sy9 h MET 72 N 0.13 0.00 -0.34 0.39 -1.53 -1.39 -1.88 114.93 110.31 1sy9 h MET 72 Ca 0.06 -0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.31 1sy9 h MET 72 Cb 0.41 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.44 1sy9 h MET 72 CO 0.01 0.01 0.20 0.00 0.14 0.00 0.00 176.91 177.27 1sy9 h ALA 73 N 1.00 1.70 -0.36 0.39 0.00 -1.52 -2.43 119.26 118.05 1sy9 h ALA 73 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1sy9 h ALA 73 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1sy9 h ALA 73 CO -0.00 0.26 -0.41 -0.09 0.00 0.00 0.00 179.25 179.00 1sy9 h ARG 74 N 0.47 0.90 0.00 0.00 2.43 -1.04 -3.09 114.38 114.05 1sy9 h ARG 74 Ca 0.12 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1sy9 h ARG 74 Cb -0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1sy9 h ARG 74 CO -0.02 1.13 0.00 0.87 -1.51 0.00 0.00 179.97 180.44 1sy9 h LYS 75 N 0.72 0.00 -0.05 0.20 6.56 -0.86 -3.28 116.57 119.86 1sy9 h LYS 75 Ca 0.05 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.65 1sy9 h LYS 75 Cb 1.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.65 1sy9 h LYS 75 CO 0.10 0.00 -0.01 0.52 -2.06 0.00 0.00 179.45 177.99 1sy9 h MET 76 N 0.00 -0.00 -0.10 3.15 2.86 -1.41 -1.91 114.93 117.51 1sy9 h MET 76 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1sy9 h MET 76 Cb 0.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1sy9 h MET 76 CO 0.00 -0.00 -0.47 1.57 1.06 0.00 0.00 176.91 179.06 1sy9 h LYS 77 N -0.00 0.25 0.00 1.72 2.10 -1.73 -2.95 116.57 115.96 1sy9 h LYS 77 Ca 0.02 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1sy9 h LYS 77 Cb 0.04 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1sy9 h LYS 77 CO -0.05 0.68 0.00 -0.44 -2.00 0.00 0.00 179.45 177.64 1sy9 h ASP 78 N 0.21 0.00 -1.49 7.07 3.32 -1.56 -3.45 116.42 120.52 1sy9 h ASP 78 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1sy9 h ASP 78 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1sy9 h ASP 78 CO 0.07 0.00 0.00 1.07 -1.72 0.00 0.00 179.24 178.66 1sy9 n THR 79 N -2.92 0.00 -4.62 0.35 5.66 -0.75 -5.10 114.28 106.90 1sy9 n THR 79 Ca 0.01 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.78 1sy9 n THR 79 Cb 0.30 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.94 1sy9 n THR 79 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1sy9 s ASP 80 N 0.41 1.89 0.33 1.09 1.01 -1.26 -4.95 116.67 115.20 1sy9 s ASP 80 Ca 0.00 -0.36 0.07 0.00 0.71 0.00 0.00 52.55 52.97 1sy9 s ASP 80 Cb 0.00 -0.18 0.59 0.00 1.01 0.00 0.00 42.92 44.34 1sy9 s ASP 80 CO 0.00 0.15 1.80 -1.28 0.21 0.00 0.00 175.17 176.04 1sy9 h SER 81 N 5.41 0.27 -0.70 0.27 0.87 -1.99 -2.39 113.55 115.28 1sy9 h SER 81 Ca -0.37 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1sy9 h SER 81 Cb 1.16 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 1sy9 h SER 81 CO 0.47 0.54 0.46 -0.33 -0.53 0.00 0.00 176.83 177.43 1sy9 h GLU 82 N 0.24 0.93 -0.38 2.24 4.39 -2.01 -2.15 114.58 117.84 1sy9 h GLU 82 Ca 0.04 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 1sy9 h GLU 82 Cb 0.60 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1sy9 h GLU 82 CO 0.04 0.62 -0.40 0.93 -1.16 0.00 0.00 179.01 179.05 1sy9 h GLU 83 N 0.95 0.94 -0.68 2.33 5.08 -1.86 -2.93 114.58 118.42 1sy9 h GLU 83 Ca 0.26 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1sy9 h GLU 83 Cb -0.10 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1sy9 h GLU 83 CO -0.05 1.16 0.35 0.93 -1.00 0.00 0.00 179.01 180.39 1sy9 h GLU 84 N 0.77 0.95 -0.29 2.33 5.08 -1.16 -2.75 114.58 119.51 1sy9 h GLU 84 Ca 0.06 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1sy9 h GLU 84 Cb 0.99 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1sy9 h GLU 84 CO 0.10 0.71 -0.09 0.82 -1.00 0.00 0.00 179.01 179.55 1sy9 h ILE 85 N 0.95 1.29 -1.01 3.13 2.04 -1.37 -2.54 117.51 120.00 1sy9 h ILE 85 Ca 0.24 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1sy9 h ILE 85 Cb 0.06 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1sy9 h ILE 85 CO -0.04 0.36 0.66 0.03 0.00 0.00 0.00 178.15 179.17 1sy9 h ARG 86 N 0.33 1.27 -0.37 2.37 3.08 -1.32 -2.29 114.38 117.46 1sy9 h ARG 86 Ca 0.07 -0.08 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1sy9 h ARG 86 Cb 0.59 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1sy9 h ARG 86 CO 0.03 0.84 -0.41 0.93 -1.07 0.00 0.00 179.97 180.29 1sy9 h GLU 87 N 1.31 0.94 -0.28 0.04 5.08 -1.44 -2.77 114.58 117.45 1sy9 h GLU 87 Ca 0.39 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1sy9 h GLU 87 Cb -0.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1sy9 h GLU 87 CO -0.11 1.16 0.09 0.00 -1.00 0.00 0.00 179.01 179.16 1sy9 h ALA 88 N 0.76 0.37 -0.86 3.43 0.00 -1.10 -2.53 119.26 119.33 1sy9 h ALA 88 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1sy9 h ALA 88 Cb 1.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1sy9 h ALA 88 CO 0.10 0.00 0.41 0.35 0.00 0.00 0.00 179.25 180.11 1sy9 h PHE 89 N 0.30 1.24 -0.94 0.00 3.04 -1.48 -2.69 116.94 116.41 1sy9 h PHE 89 Ca 0.09 -0.06 0.01 0.00 3.98 0.00 0.00 57.97 61.99 1sy9 h PHE 89 Cb 0.24 -0.38 -0.05 0.00 2.56 0.00 0.00 35.95 38.32 1sy9 h PHE 89 CO 0.00 0.89 0.62 -0.09 -2.02 0.00 0.00 178.31 177.72 1sy9 h ARG 90 N 1.22 1.24 -0.23 1.11 2.43 -1.27 -0.52 114.38 118.36 1sy9 h ARG 90 Ca 0.29 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1sy9 h ARG 90 Cb 0.12 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1sy9 h ARG 90 CO -0.04 0.82 -0.25 0.28 -1.51 0.00 0.00 179.97 179.27 1sy9 h VAL 91 N 1.27 1.32 -0.43 0.20 2.07 -1.14 -3.24 116.25 116.30 1sy9 h VAL 91 Ca 0.34 -1.43 -0.14 0.00 0.82 0.00 0.00 66.70 66.30 1sy9 h VAL 91 Cb -0.15 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1sy9 h VAL 91 CO -0.07 0.44 -0.27 -0.26 0.02 0.00 0.00 177.57 177.42 1sy9 h PHE 92 N 0.27 1.07 -0.66 1.57 -1.00 -1.27 -3.35 116.94 113.57 1sy9 h PHE 92 Ca 0.03 -0.28 -0.65 0.00 2.81 0.00 0.00 57.97 59.89 1sy9 h PHE 92 Cb 0.81 -0.24 -0.07 0.00 3.61 0.00 0.00 35.95 40.06 1sy9 h PHE 92 CO 0.08 1.08 2.23 -3.47 -1.61 0.00 0.00 178.31 176.62 1sy9 n ASP 93 N -4.09 4.51 -0.15 2.17 -0.08 -0.22 -4.77 116.55 113.92 1sy9 n ASP 93 Ca -0.01 -2.88 -0.07 0.00 -1.51 0.00 0.00 54.79 50.32 1sy9 n ASP 93 Cb 0.48 -1.72 0.01 0.00 2.34 0.00 0.00 41.12 42.24 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1sy9 h LYS 94 N 7.57 0.61 0.00 -0.67 3.64 -1.78 -2.27 116.57 123.67 1sy9 h LYS 94 Ca 0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1sy9 h LYS 94 Cb 0.84 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1sy9 h LYS 94 CO 1.51 0.41 0.00 0.38 -2.27 0.00 0.00 179.45 179.48 1sy9 h ASP 95 N 0.63 0.00 -5.64 4.20 2.03 -1.94 -3.48 116.42 112.22 1sy9 h ASP 95 Ca 0.17 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.23 1sy9 h ASP 95 Cb -0.07 0.00 0.13 0.00 -0.83 0.00 0.00 39.33 38.55 1sy9 h ASP 95 CO -0.04 0.00 -0.70 0.61 -1.03 0.00 0.00 179.24 178.08 1sy9 n GLY 96 N 1.08 -1.15 0.00 7.15 0.00 -0.86 -4.94 105.19 106.48 1sy9 n GLY 96 Ca 0.04 0.54 0.07 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.78 0.76 0.00 1.61 6.94 -1.26 -4.98 115.26 115.55 1sy9 n ASN 97 Ca -0.07 -0.81 0.00 0.00 -0.02 0.00 0.00 54.58 53.69 1sy9 n ASN 97 Cb 0.59 1.04 0.00 0.00 -2.36 0.00 0.00 39.78 39.05 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 1.37 1.22 3.15 4.83 0.00 -1.26 -5.09 105.19 109.41 1sy9 n GLY 98 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1sy9 n GLY 98 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sy9 s TYR 99 N -1.16 0.05 -0.06 1.61 1.13 -1.26 -1.98 117.35 115.68 1sy9 s TYR 99 Ca 0.00 -0.21 -0.21 0.00 -1.41 0.00 0.00 57.07 55.24 1sy9 s TYR 99 Cb 0.00 -0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.77 1sy9 s TYR 99 CO 0.00 -0.36 0.60 0.42 -2.51 0.00 0.00 175.55 173.70 1sy9 s ILE 100 N -2.00 5.05 0.69 -3.49 1.01 -1.00 -4.94 121.20 116.53 1sy9 s ILE 100 Ca -0.10 1.24 -0.04 0.00 0.00 0.00 0.00 60.65 61.75 1sy9 s ILE 100 Cb -0.04 -3.94 0.08 0.00 0.01 0.00 0.00 42.46 38.56 1sy9 s ILE 100 CO -0.01 0.32 0.98 -0.44 0.00 0.00 0.00 174.94 175.79 1sy9 s SER 101 N 0.47 4.72 0.18 3.58 0.01 -1.26 -3.87 113.70 117.53 1sy9 s SER 101 Ca 0.32 0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.67 1sy9 s SER 101 Cb -0.17 -0.81 0.09 0.00 0.21 0.00 0.00 66.02 65.33 1sy9 s SER 101 CO 0.15 -1.62 1.71 0.00 0.41 0.00 0.00 173.24 173.90 1sy9 h ALA 102 N -0.50 0.83 -0.54 1.44 0.00 -1.95 -1.78 119.26 116.76 1sy9 h ALA 102 Ca -0.43 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1sy9 h ALA 102 Cb 1.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1sy9 h ALA 102 CO 0.53 0.51 0.05 0.00 0.00 0.00 0.00 179.25 180.34 1sy9 h ALA 103 N 1.07 1.08 -0.70 0.00 0.00 -2.00 -2.77 119.26 115.94 1sy9 h ALA 103 Ca 0.21 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1sy9 h ALA 103 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1sy9 h ALA 103 CO -0.01 0.59 0.15 0.93 0.00 0.00 0.00 179.25 180.91 1sy9 h GLU 104 N 0.82 1.13 -0.45 0.00 5.08 -1.79 -2.21 114.58 117.17 1sy9 h GLU 104 Ca 0.16 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1sy9 h GLU 104 Cb 0.42 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1sy9 h GLU 104 CO 0.01 1.01 0.29 1.25 -1.00 0.00 0.00 179.01 180.57 1sy9 h LEU 105 N 1.07 0.52 -1.66 1.33 6.46 -1.08 -2.10 115.31 119.85 1sy9 h LEU 105 Ca 0.22 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1sy9 h LEU 105 Cb 0.40 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1sy9 h LEU 105 CO 0.01 0.39 -0.08 -0.09 -0.62 0.00 0.00 178.44 178.05 1sy9 h ARG 106 N 0.60 0.12 -0.39 1.25 2.43 -1.27 -2.51 114.38 114.61 1sy9 h ARG 106 Ca 0.16 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1sy9 h ARG 106 Cb -0.05 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1sy9 h ARG 106 CO -0.03 0.21 0.26 1.25 -1.51 0.00 0.00 179.97 180.14 1sy9 h HIS 107 N 0.12 0.49 -0.02 2.20 2.76 -0.75 -2.37 115.15 117.58 1sy9 h HIS 107 Ca 0.03 0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.02 1sy9 h HIS 107 Cb 0.22 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1sy9 h HIS 107 CO 0.00 0.31 -0.81 0.28 -1.30 0.00 0.00 177.93 176.41 1sy9 h VAL 108 N 0.53 1.46 -0.09 5.26 2.07 -1.49 -2.66 116.25 121.33 1sy9 h VAL 108 Ca 0.15 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1sy9 h VAL 108 Cb -0.06 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1sy9 h VAL 108 CO -0.03 0.71 0.06 0.24 0.02 0.00 0.00 177.57 178.57 1sy9 h MET 109 N 0.14 0.12 -0.28 1.57 2.07 -1.20 0.22 114.93 117.57 1sy9 h MET 109 Ca -0.04 -0.01 -0.09 0.00 -2.07 0.00 0.00 59.70 57.50 1sy9 h MET 109 Cb 1.40 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 31.10 1sy9 h MET 109 CO 0.12 0.08 -0.16 1.15 1.07 0.00 0.00 176.91 179.18 1sy9 h THR 110 N 0.12 1.30 -0.01 2.22 2.02 -1.50 -2.65 112.91 114.40 1sy9 h THR 110 Ca 0.03 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1sy9 h THR 110 Cb -0.01 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1sy9 h THR 110 CO -0.01 0.40 0.01 0.78 0.37 0.00 0.00 175.52 177.07 1sy9 h ASN 111 N 0.35 0.00 0.52 4.18 2.35 -1.32 0.18 115.58 121.83 1sy9 h ASN 111 Ca 0.06 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1sy9 h ASN 111 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1sy9 h ASN 111 CO 0.05 0.00 -0.48 -0.07 -1.65 0.00 0.00 177.43 175.27 1sy9 h LEU 112 N 0.00 0.00 0.00 1.61 3.38 -0.65 -3.47 115.31 116.18 1sy9 h LEU 112 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sy9 h LEU 112 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1sy9 h LEU 112 CO -0.00 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.62 1sy9 n GLY 113 N -0.09 1.58 3.31 0.83 0.00 0.05 -4.92 105.19 105.94 1sy9 n GLY 113 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1sy9 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sy9 s GLU 114 N -0.04 1.59 -0.22 1.61 2.02 -1.03 -5.04 118.70 117.59 1sy9 s GLU 114 Ca 0.00 -1.06 -0.07 0.00 0.02 0.00 0.00 54.97 53.86 1sy9 s GLU 114 Cb 0.00 -1.76 -0.03 0.00 0.10 0.00 0.00 34.13 32.43 1sy9 s GLU 114 CO 0.00 0.45 0.06 0.15 0.02 0.00 0.00 175.26 175.94 1sy9 s LYS 115 N -1.28 3.75 0.09 1.61 1.02 -1.26 -3.78 119.74 119.89 1sy9 s LYS 115 Ca 0.10 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.67 1sy9 s LYS 115 Cb -0.09 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1sy9 s LYS 115 CO 0.02 -0.02 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.84 1sy9 s LEU 116 N 1.17 2.46 0.65 3.17 1.43 -1.26 -5.13 118.68 121.17 1sy9 s LEU 116 Ca 0.04 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.17 1sy9 s LEU 116 Cb -0.14 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 45.98 1sy9 s LEU 116 CO 0.03 -0.40 0.97 -0.89 0.23 0.00 0.00 176.35 176.29 1sy9 s THR 117 N -3.11 3.10 0.52 5.49 2.01 -1.26 -4.93 115.64 117.46 1sy9 s THR 117 Ca 0.08 -0.05 0.25 0.00 0.31 0.00 0.00 61.69 62.28 1sy9 s THR 117 Cb 0.02 -3.28 0.31 0.00 0.01 0.00 0.00 72.50 69.55 1sy9 s THR 117 CO -0.03 -0.30 2.16 -0.78 -0.69 0.00 0.00 174.62 174.98 1sy9 h ASP 118 N -0.39 0.00 -0.13 3.53 1.82 -2.00 -0.58 116.42 118.67 1sy9 h ASP 118 Ca -0.45 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.11 1sy9 h ASP 118 Cb 1.28 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.27 1sy9 h ASP 118 CO 0.61 0.05 -0.15 -0.33 -1.61 0.00 0.00 179.24 177.82 1sy9 h GLU 119 N 0.00 0.50 -0.39 0.28 5.08 -2.00 -2.05 114.58 116.00 1sy9 h GLU 119 Ca -0.00 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1sy9 h GLU 119 Cb 0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1sy9 h GLU 119 CO 0.01 0.64 -0.05 0.93 -1.00 0.00 0.00 179.01 179.53 1sy9 h GLU 120 N 0.46 0.66 -0.50 2.33 5.08 -1.46 -2.60 114.58 118.55 1sy9 h GLU 120 Ca 0.08 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 1sy9 h GLU 120 Cb 0.53 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1sy9 h GLU 120 CO 0.03 0.72 -0.20 0.28 -1.00 0.00 0.00 179.01 178.84 1sy9 h VAL 121 N 0.61 1.27 -0.02 3.13 2.07 -1.27 -2.91 116.25 119.13 1sy9 h VAL 121 Ca 0.12 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1sy9 h VAL 121 Cb 0.47 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1sy9 h VAL 121 CO 0.02 0.48 0.01 -0.78 0.02 0.00 0.00 177.57 177.32 1sy9 h ASP 122 N 0.88 0.02 -0.78 0.57 1.82 -1.04 -2.80 116.42 115.08 1sy9 h ASP 122 Ca 0.12 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1sy9 h ASP 122 Cb 0.78 -0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.75 1sy9 h ASP 122 CO 0.07 0.01 0.50 -0.08 -1.61 0.00 0.00 179.24 178.12 1sy9 h GLU 123 N 0.02 1.04 -0.89 0.28 4.81 -1.49 -2.01 114.58 116.34 1sy9 h GLU 123 Ca 0.01 -0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1sy9 h GLU 123 Cb -0.00 -0.23 -0.07 0.00 0.63 0.00 0.00 28.75 29.08 1sy9 h GLU 123 CO -0.00 0.72 0.58 0.52 -0.73 0.00 0.00 179.01 180.09 1sy9 h MET 124 N 1.06 0.79 -0.67 1.92 2.86 -1.30 0.13 114.93 119.73 1sy9 h MET 124 Ca 0.28 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1sy9 h MET 124 Cb -0.08 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.37 1sy9 h MET 124 CO -0.06 0.52 0.21 0.82 1.06 0.00 0.00 176.91 179.47 1sy9 h ILE 125 N 0.81 1.25 -0.84 -1.22 2.04 -1.14 -2.79 117.51 115.62 1sy9 h ILE 125 Ca 0.43 -0.85 0.15 0.00 1.00 0.00 0.00 64.86 65.60 1sy9 h ILE 125 Cb 0.53 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1sy9 h ILE 125 CO -0.19 0.33 0.55 -0.09 0.00 0.00 0.00 178.15 178.75 1sy9 h ARG 126 N 0.99 0.53 -1.01 2.37 2.43 -0.42 0.70 114.38 119.98 1sy9 h ARG 126 Ca 0.22 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1sy9 h ARG 126 Cb 0.28 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1sy9 h ARG 126 CO -0.01 0.35 0.67 0.93 -1.51 0.00 0.00 179.97 180.40 1sy9 h GLU 127 N 0.55 1.31 -0.01 0.20 5.08 -1.39 -3.03 114.58 117.29 1sy9 h GLU 127 Ca 0.42 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1sy9 h GLU 127 Cb 0.83 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1sy9 h GLU 127 CO -0.17 0.87 -0.31 0.00 -1.00 0.00 0.00 179.01 178.40 1sy9 n ALA 128 N -2.38 3.10 -1.64 3.43 0.00 -0.67 -4.75 120.51 117.61 1sy9 n ALA 128 Ca 0.12 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1sy9 n ALA 128 Cb 0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.27 4.78 -0.16 0.00 -0.08 0.24 -4.66 116.55 116.40 1sy9 n ASP 129 Ca 0.05 -2.78 -0.11 0.00 -1.51 0.00 0.00 54.79 50.44 1sy9 n ASP 129 Cb 0.28 -1.63 0.00 0.00 2.34 0.00 0.00 41.12 42.11 1sy9 n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1sy9 h ILE 130 N 3.82 1.27 0.00 5.18 2.04 -1.85 -2.86 117.51 125.10 1sy9 h ILE 130 Ca 0.63 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1sy9 h ILE 130 Cb 0.57 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1sy9 h ILE 130 CO 1.87 0.48 -0.05 -2.24 0.00 0.00 0.00 178.15 178.21 1sy9 h ASP 131 N 0.87 0.00 0.00 1.72 2.03 -1.94 -3.46 116.42 115.64 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 0.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1sy9 h ASP 131 CO 0.07 0.05 0.00 0.61 -1.03 0.00 0.00 179.24 178.93 1sy9 n GLY 132 N 0.00 0.46 0.00 7.15 0.00 -1.08 -4.93 105.19 106.79 1sy9 n GLY 132 Ca 0.00 -0.96 0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 1.79 0.11 0.00 1.61 5.75 -1.26 -4.90 116.55 119.65 1sy9 n ASP 133 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1sy9 n ASP 133 Cb 0.06 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 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 1.50 0.76 2.97 6.12 0.00 -1.26 -5.04 105.19 110.24 1sy9 n GLY 134 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.43 0.30 -0.35 1.61 -0.21 -1.26 -4.87 119.66 114.44 1sy9 s GLN 135 Ca 0.00 -0.51 -0.19 0.00 0.02 0.00 0.00 55.36 54.69 1sy9 s GLN 135 Cb 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 33.01 34.01 1sy9 s GLN 135 CO 0.00 -0.02 0.54 0.08 -2.12 0.00 0.00 175.29 173.77 1sy9 s VAL 136 N -1.13 4.99 0.79 1.09 1.01 -1.25 -4.75 120.40 121.15 1sy9 s VAL 136 Ca -0.11 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1sy9 s VAL 136 Cb -0.08 -3.99 0.10 0.00 0.00 0.00 0.00 36.38 32.41 1sy9 s VAL 136 CO -0.01 -0.24 1.13 0.20 0.00 0.00 0.00 175.10 176.19 1sy9 s ASN 137 N 1.77 4.34 0.19 3.32 0.01 -1.26 -2.36 114.94 120.94 1sy9 s ASN 137 Ca 0.20 0.49 -0.13 0.00 -0.71 0.00 0.00 52.86 52.71 1sy9 s ASN 137 Cb -0.15 -0.95 0.10 0.00 0.41 0.00 0.00 41.25 40.66 1sy9 s ASN 137 CO 0.14 -1.95 1.85 0.22 -1.51 0.00 0.00 177.10 175.85 1sy9 h TYR 138 N -0.97 0.78 -0.20 2.20 5.03 -1.81 -0.30 116.97 121.70 1sy9 h TYR 138 Ca -0.44 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 60.87 1sy9 h TYR 138 Cb 1.30 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 1sy9 h TYR 138 CO 0.01 0.50 0.10 0.93 -1.32 0.00 0.00 178.16 178.37 1sy9 h GLU 139 N 0.84 0.29 -0.22 1.82 4.39 -1.93 -2.79 114.58 116.99 1sy9 h GLU 139 Ca 0.23 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.82 1sy9 h GLU 139 Cb -0.09 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1sy9 h GLU 139 CO -0.05 0.32 -0.15 0.93 -1.16 0.00 0.00 179.01 178.90 1sy9 h GLU 140 N 0.20 0.36 -0.29 2.33 5.08 -1.82 -2.88 114.58 117.55 1sy9 h GLU 140 Ca 0.07 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1sy9 h GLU 140 Cb 0.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1sy9 h GLU 140 CO -0.01 0.51 0.19 0.35 -1.00 0.00 0.00 179.01 179.06 1sy9 h PHE 141 N 0.33 0.37 -0.34 4.33 3.57 -0.79 -2.53 116.94 121.89 1sy9 h PHE 141 Ca 0.06 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 1sy9 h PHE 141 Cb 0.47 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1sy9 h PHE 141 CO 0.01 0.24 -0.42 0.28 -2.23 0.00 0.00 178.31 176.19 1sy9 h VAL 142 N 0.40 1.28 -0.05 1.41 2.07 -1.41 -3.07 116.25 116.87 1sy9 h VAL 142 Ca 0.11 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1sy9 h VAL 142 Cb -0.04 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1sy9 h VAL 142 CO -0.02 0.53 0.03 -0.61 0.02 0.00 0.00 177.57 177.52 1sy9 h GLN 143 N 0.69 0.07 -0.82 1.57 4.15 -1.37 -1.94 115.11 117.47 1sy9 h GLN 143 Ca 0.05 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1sy9 h GLN 143 Cb 1.00 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.63 1sy9 h GLN 143 CO 0.10 0.04 0.54 1.98 -1.93 0.00 0.00 178.83 179.56 1sy9 h MET 144 N 0.07 1.08 -0.60 1.69 4.05 -1.51 -0.33 114.93 119.37 1sy9 h MET 144 Ca 0.02 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.27 1sy9 h MET 144 Cb -0.01 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.53 1sy9 h MET 144 CO -0.01 0.71 -0.02 0.52 0.23 0.00 0.00 176.91 178.35 1sy9 h MET 145 N 1.11 1.08 -0.69 0.39 2.86 -1.38 -2.81 114.93 115.48 1sy9 h MET 145 Ca 0.30 -0.36 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1sy9 h MET 145 Cb -0.13 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.38 1sy9 h MET 145 CO -0.06 1.06 0.13 0.25 1.06 0.00 0.00 176.91 179.35 1sy9 n THR 146 N -4.17 2.69 -0.04 2.22 -2.24 -0.76 -4.55 114.28 107.43 1sy9 n THR 146 Ca 0.03 -1.41 -0.10 0.00 -2.27 0.00 0.00 64.05 60.30 1sy9 n THR 146 Cb 0.36 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sy9 h ALA 147 N 3.28 0.23 -0.00 6.98 0.00 -0.79 -3.49 119.26 125.47 1sy9 h ALA 147 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sy9 h ALA 147 Cb 2.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1sy9 h ALA 147 CO 0.58 -0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.17