#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 3.52 -0.19 0.00 8.00 -1.26 -4.42 116.55 122.19 1sy9 n ASP 2 Ca 0.00 -2.00 0.01 0.00 0.71 0.00 0.00 54.79 53.50 1sy9 n ASP 2 Cb 0.00 -0.44 0.26 0.00 -0.02 0.00 0.00 41.12 40.92 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 3.83 0.94 -1.00 -1.24 4.20 -2.06 -2.53 115.11 117.25 1sy9 h GLN 3 Ca 0.00 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1sy9 h GLN 3 Cb 0.88 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 1sy9 h GLN 3 CO 0.00 0.63 0.66 -0.07 -0.67 0.00 0.00 178.83 179.39 1sy9 h LEU 4 N 0.96 1.15 -7.10 1.46 3.38 -2.10 -3.38 115.31 109.69 1sy9 h LEU 4 Ca 0.26 -0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.64 1sy9 h LEU 4 Cb -0.10 -0.29 -0.40 0.00 0.09 0.00 0.00 40.66 39.97 1sy9 h LEU 4 CO -0.05 0.84 -0.76 0.42 0.09 0.00 0.00 178.44 178.97 1sy9 s THR 5 N -6.11 0.57 -1.00 0.22 -4.23 -0.95 -4.98 115.64 99.16 1sy9 s THR 5 Ca -0.13 -1.04 0.26 0.00 -1.18 0.00 0.00 61.69 59.60 1sy9 s THR 5 Cb 0.18 -1.35 0.21 0.00 1.34 0.00 0.00 72.50 72.88 1sy9 s THR 5 CO 0.82 -0.57 1.82 -0.62 -0.54 0.00 0.00 174.62 175.53 1sy9 n GLU 6 N 4.99 0.00 0.24 3.99 1.02 -1.22 -3.27 120.64 126.40 1sy9 n GLU 6 Ca -0.05 0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1sy9 n GLU 6 Cb 0.43 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 30.95 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 -0.43 3.49 4.11 -1.93 -2.60 114.58 117.21 1sy9 h GLU 7 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1sy9 h GLU 7 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1sy9 h GLU 7 CO 0.00 0.16 -0.08 1.96 0.07 0.00 0.00 179.01 181.13 1sy9 h GLN 8 N 0.00 0.76 -0.24 1.06 4.20 -1.91 -2.86 115.11 116.12 1sy9 h GLN 8 Ca -0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1sy9 h GLN 8 Cb 0.55 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1sy9 h GLN 8 CO 0.02 0.82 0.16 0.82 -0.67 0.00 0.00 178.83 179.98 1sy9 h ILE 9 N 0.69 1.06 -0.15 2.54 2.04 -1.68 -1.86 117.51 120.16 1sy9 h ILE 9 Ca 0.12 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1sy9 h ILE 9 Cb 0.54 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1sy9 h ILE 9 CO 0.03 0.06 -0.20 0.00 0.00 0.00 0.00 178.15 178.04 1sy9 h ALA 10 N 1.85 1.39 -0.31 1.87 0.00 -1.60 -1.58 119.26 120.88 1sy9 h ALA 10 Ca 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sy9 h ALA 10 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1sy9 h ALA 10 CO -0.02 0.42 0.05 0.93 0.00 0.00 0.00 179.25 180.64 1sy9 h GLU 11 N 0.23 0.50 0.00 0.00 5.08 -1.42 -2.47 114.58 116.50 1sy9 h GLU 11 Ca 0.04 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1sy9 h GLU 11 Cb 0.50 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1sy9 h GLU 11 CO 0.03 0.60 -0.18 0.74 -1.00 0.00 0.00 179.01 179.20 1sy9 h PHE 12 N 0.33 0.00 0.21 4.33 0.04 -1.45 -3.10 116.94 117.29 1sy9 h PHE 12 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1sy9 h PHE 12 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1sy9 h PHE 12 CO 0.02 0.18 -0.10 -0.22 -0.60 0.00 0.00 178.31 177.59 1sy9 h LYS 13 N 0.00 -0.27 0.09 1.51 1.63 -0.85 -1.65 116.57 117.03 1sy9 h LYS 13 Ca -0.00 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1sy9 h LYS 13 Cb 0.64 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 1sy9 h LYS 13 CO 0.02 0.05 -0.16 0.93 -3.45 0.00 0.00 179.45 176.84 1sy9 h GLU 14 N -0.61 -0.30 0.00 1.90 5.08 -1.43 -2.01 114.58 117.20 1sy9 h GLU 14 Ca -0.03 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1sy9 h GLU 14 Cb 0.45 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1sy9 h GLU 14 CO 0.05 -0.20 -0.09 0.00 -1.00 0.00 0.00 179.01 177.77 1sy9 h ALA 15 N 0.54 1.49 -0.23 3.43 0.00 -1.59 -2.95 119.26 119.95 1sy9 h ALA 15 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sy9 h ALA 15 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1sy9 h ALA 15 CO -0.09 0.11 0.09 0.35 0.00 0.00 0.00 179.25 179.70 1sy9 h PHE 16 N 0.00 0.16 -0.88 0.00 3.04 -0.51 0.11 116.94 118.85 1sy9 h PHE 16 Ca -0.00 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1sy9 h PHE 16 Cb 0.21 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.64 1sy9 h PHE 16 CO 0.00 0.08 0.46 0.77 -2.02 0.00 0.00 178.31 177.60 1sy9 h SER 17 N 0.20 1.12 -1.01 0.41 0.02 -1.51 0.15 113.55 112.93 1sy9 h SER 17 Ca 0.10 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1sy9 h SER 17 Cb 0.06 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 1sy9 h SER 17 CO -0.10 0.91 0.67 0.25 -1.14 0.00 0.00 176.83 177.42 1sy9 h LEU 18 N 1.24 1.16 -0.45 5.07 5.85 -1.31 -2.10 115.31 124.77 1sy9 h LEU 18 Ca 0.31 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.82 1sy9 h LEU 18 Cb 0.06 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1sy9 h LEU 18 CO -0.05 0.84 -0.66 -0.26 -0.34 0.00 0.00 178.44 177.97 1sy9 h PHE 19 N 1.37 0.60 -2.95 1.25 0.04 -0.08 -3.40 116.94 113.78 1sy9 h PHE 19 Ca 0.37 -0.25 -0.71 0.00 2.80 0.00 0.00 57.97 60.18 1sy9 h PHE 19 Cb -0.16 -0.10 -0.21 0.00 2.20 0.00 0.00 35.95 37.68 1sy9 h PHE 19 CO 0.00 0.99 0.11 0.34 -0.60 0.00 0.00 178.31 179.15 1sy9 s ASP 20 N -6.96 6.24 0.37 2.17 -1.08 -0.03 -4.85 116.67 112.54 1sy9 s ASP 20 Ca -0.06 -1.58 0.09 0.00 -0.52 0.00 0.00 52.55 50.48 1sy9 s ASP 20 Cb 0.11 -2.29 0.74 0.00 -1.46 0.00 0.00 42.92 40.02 1sy9 s ASP 20 CO 0.84 -1.05 1.89 0.11 0.52 0.00 0.00 175.17 177.47 1sy9 h LYS 21 N 9.06 0.23 0.00 4.34 1.79 -1.78 -2.60 116.57 127.61 1sy9 h LYS 21 Ca -0.25 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1sy9 h LYS 21 Cb 1.08 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1sy9 h LYS 21 CO 1.08 0.41 0.00 -0.25 -1.08 0.00 0.00 179.45 179.60 1sy9 n ASP 22 N -4.24 0.01 -2.07 0.86 8.00 -1.26 -4.89 116.55 112.97 1sy9 n ASP 22 Ca -0.01 0.50 -0.17 0.00 0.71 0.00 0.00 54.79 55.82 1sy9 n ASP 22 Cb 0.30 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 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 1.47 0.31 0.27 0.44 0.00 -0.98 -4.81 105.19 101.88 1sy9 n GLY 23 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.55 0.97 0.00 1.61 5.75 -1.26 -4.91 116.55 117.16 1sy9 n ASP 24 Ca -0.19 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 1sy9 n ASP 24 Cb 0.62 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 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 1.26 0.76 3.08 6.12 0.00 -1.26 -5.06 105.19 110.09 1sy9 n GLY 25 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.34 0.02 -0.20 2.61 -4.23 -1.26 -4.46 115.64 105.78 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 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 1sy9 s THR 26 CO 0.00 -0.09 0.07 -0.63 -0.54 0.00 0.00 174.62 173.43 1sy9 s ILE 27 N -0.26 4.75 -0.09 2.99 1.01 -1.24 -4.90 121.20 123.46 1sy9 s ILE 27 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 1sy9 s ILE 27 Cb -0.03 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1sy9 s ILE 27 CO 0.01 0.43 0.11 0.42 0.00 0.00 0.00 174.94 175.90 1sy9 s THR 28 N 0.62 5.15 0.44 2.92 -4.23 -1.26 -4.05 115.64 115.23 1sy9 s THR 28 Ca 0.04 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.87 1sy9 s THR 28 Cb -0.13 -3.26 0.50 0.00 1.34 0.00 0.00 72.50 70.96 1sy9 s THR 28 CO 0.01 0.56 1.59 0.71 -0.54 0.00 0.00 174.62 176.96 1sy9 h THR 29 N 3.82 0.05 -0.30 3.99 1.35 -1.92 0.56 112.91 120.46 1sy9 h THR 29 Ca -0.53 -0.01 -0.04 0.00 -0.55 0.00 0.00 66.41 65.28 1sy9 h THR 29 Cb 1.21 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1sy9 h THR 29 CO 0.59 0.01 0.02 0.11 -0.25 0.00 0.00 175.52 176.00 1sy9 h LYS 30 N 0.03 0.51 0.41 4.72 1.57 -1.96 -2.49 116.57 119.36 1sy9 h LYS 30 Ca 0.86 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 59.47 1sy9 h LYS 30 Cb 2.78 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 35.04 1sy9 h LYS 30 CO -0.44 0.63 -0.20 0.93 -0.57 0.00 0.00 179.45 179.80 1sy9 h GLU 31 N 0.31 -0.53 -0.59 3.15 5.08 -0.26 -2.96 114.58 118.78 1sy9 h GLU 31 Ca 0.09 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1sy9 h GLU 31 Cb 0.39 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1sy9 h GLU 31 CO 0.01 -0.35 0.39 1.25 -1.00 0.00 0.00 179.01 179.31 1sy9 h LEU 32 N -0.56 0.68 -2.01 1.33 6.46 -1.52 -1.97 115.31 117.72 1sy9 h LEU 32 Ca -0.06 -0.02 0.15 0.00 -0.12 0.00 0.00 57.88 57.84 1sy9 h LEU 32 Cb 0.43 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1sy9 h LEU 32 CO 0.09 0.49 0.40 1.23 -0.62 0.00 0.00 178.44 180.04 1sy9 h GLY 33 N 0.80 0.00 1.13 3.75 0.00 -1.26 -0.83 103.07 106.66 1sy9 h GLY 33 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.39 1sy9 h GLY 33 CO -0.05 0.00 -0.36 -0.84 0.00 0.00 0.00 176.54 175.29 1sy9 h THR 34 N 0.00 1.27 0.42 4.70 2.02 -1.37 -2.14 112.91 117.80 1sy9 h THR 34 Ca 0.25 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 1sy9 h THR 34 Cb 1.05 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1sy9 h THR 34 CO -0.00 0.52 -0.20 0.58 0.37 0.00 0.00 175.52 176.78 1sy9 h VAL 35 N 0.79 0.57 -0.00 3.16 2.07 -1.25 -2.83 116.25 118.75 1sy9 h VAL 35 Ca 0.07 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1sy9 h VAL 35 Cb 0.96 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1sy9 h VAL 35 CO 0.09 0.05 0.00 0.24 0.02 0.00 0.00 177.57 177.98 1sy9 h MET 36 N -0.74 0.00 0.04 1.57 2.86 -1.56 -2.47 114.93 114.63 1sy9 h MET 36 Ca -0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sy9 h MET 36 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1sy9 h MET 36 CO 0.09 0.00 -0.02 -0.09 1.06 0.00 0.00 176.91 177.95 1sy9 h ARG 37 N 0.00 -0.06 0.00 1.72 1.12 -0.47 0.61 114.38 117.30 1sy9 h ARG 37 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1sy9 h ARG 37 Cb 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.98 1sy9 h ARG 37 CO -0.00 -0.02 0.00 1.03 -3.11 0.00 0.00 179.97 177.87 1sy9 h SER 38 N -0.08 0.00 -0.01 -3.80 0.87 -1.34 -2.93 113.55 106.26 1sy9 h SER 38 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1sy9 h SER 38 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1sy9 h SER 38 CO 0.01 0.00 -0.50 0.18 -0.53 0.00 0.00 176.83 175.99 1sy9 n LEU 39 N -2.80 1.98 0.00 2.23 4.77 -0.89 -4.96 117.00 117.33 1sy9 n LEU 39 Ca 0.02 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1sy9 n LEU 39 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1sy9 n LEU 39 CO 0.27 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1sy9 n GLY 40 N 1.42 -1.50 3.85 -0.72 0.00 0.13 -5.03 105.19 103.35 1sy9 n GLY 40 Ca 0.09 0.55 -0.07 0.00 0.00 0.00 0.00 46.02 46.59 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 1.80 -0.26 1.61 -2.07 0.17 -4.83 119.66 116.08 1sy9 s GLN 41 Ca 0.00 -1.01 -0.05 0.00 -1.82 0.00 0.00 55.36 52.48 1sy9 s GLN 41 Cb 0.00 0.60 0.00 0.00 -1.09 0.00 0.00 33.01 32.53 1sy9 s GLN 41 CO 0.00 -0.83 0.01 1.21 -1.32 0.00 0.00 175.29 174.36 1sy9 s ASN 42 N -2.93 4.70 0.00 12.60 2.47 -1.26 -1.25 114.94 129.27 1sy9 s ASN 42 Ca 0.11 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 52.82 1sy9 s ASN 42 Cb -0.06 -1.80 0.00 0.00 -1.45 0.00 0.00 41.25 37.94 1sy9 s ASN 42 CO 0.07 -0.10 0.00 -0.81 -3.72 0.00 0.00 177.10 172.54 1sy9 n PRO 43 N 4.81 2.38 -4.03 0.43 -0.04 -1.26 -5.01 135.00 132.29 1sy9 n PRO 43 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 1sy9 n PRO 43 Cb 0.49 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.31 0.65 0.52 -4.23 -1.26 -5.01 115.64 106.62 1sy9 s THR 44 Ca 0.00 -0.74 0.32 0.00 -1.18 0.00 0.00 61.69 60.09 1sy9 s THR 44 Cb 0.00 -0.38 0.34 0.00 1.34 0.00 0.00 72.50 73.80 1sy9 s THR 44 CO 0.00 -0.29 2.02 1.05 -0.54 0.00 0.00 174.62 176.87 1sy9 h GLU 45 N 5.01 0.00 0.41 3.99 4.11 -1.96 0.84 114.58 126.98 1sy9 h GLU 45 Ca -0.32 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.09 1sy9 h GLU 45 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1sy9 h GLU 45 CO 0.44 0.00 -0.20 0.00 0.07 0.00 0.00 179.01 179.32 1sy9 h ALA 46 N 1.51 -0.55 -0.46 1.06 0.00 -1.99 -2.12 119.26 116.71 1sy9 h ALA 46 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1sy9 h ALA 46 Cb 0.57 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1sy9 h ALA 46 CO -0.00 -0.52 -0.15 0.93 0.00 0.00 0.00 179.25 179.51 1sy9 h GLU 47 N -1.12 0.88 -0.41 0.00 5.08 -1.73 -2.55 114.58 114.73 1sy9 h GLU 47 Ca -0.06 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1sy9 h GLU 47 Cb 0.45 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1sy9 h GLU 47 CO 0.09 0.97 0.27 -0.07 -1.00 0.00 0.00 179.01 179.28 1sy9 h LEU 48 N 0.78 0.42 -0.58 1.33 3.38 0.58 -1.98 115.31 119.24 1sy9 h LEU 48 Ca 0.12 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1sy9 h LEU 48 Cb 0.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1sy9 h LEU 48 CO 0.05 0.30 -0.20 -0.61 0.09 0.00 0.00 178.44 178.07 1sy9 h GLN 49 N 0.49 0.92 -0.59 1.13 -0.00 -0.95 -2.74 115.11 113.38 1sy9 h GLN 49 Ca 0.16 -0.38 -0.09 0.00 -0.00 0.00 0.00 58.65 58.34 1sy9 h GLN 49 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.44 1sy9 h GLN 49 CO -0.04 1.03 0.01 0.22 0.00 0.00 0.00 178.83 180.06 1sy9 h ASP 50 N 0.80 1.01 -0.60 -0.69 1.82 -1.24 -1.81 116.42 115.71 1sy9 h ASP 50 Ca 0.11 -0.28 -0.01 0.00 -0.39 0.00 0.00 57.03 56.46 1sy9 h ASP 50 Cb 0.75 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.46 1sy9 h ASP 50 CO 0.06 1.05 0.33 0.24 -1.61 0.00 0.00 179.24 179.31 1sy9 h MET 51 N 0.95 0.84 -0.13 0.28 2.86 -1.37 -2.35 114.93 116.00 1sy9 h MET 51 Ca 0.17 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1sy9 h MET 51 Cb 0.53 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1sy9 h MET 51 CO 0.03 0.64 -0.35 0.82 1.06 0.00 0.00 176.91 179.11 1sy9 h ILE 52 N 0.81 1.28 -1.01 -1.22 2.04 -1.30 -3.05 117.51 115.06 1sy9 h ILE 52 Ca 0.21 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.71 1sy9 h ILE 52 Cb 0.05 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 1sy9 h ILE 52 CO -0.03 0.41 0.67 -1.13 0.00 0.00 0.00 178.15 178.07 1sy9 h ASN 53 N 0.22 1.14 0.24 1.72 -1.24 -0.78 0.78 115.58 117.68 1sy9 h ASN 53 Ca 0.03 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1sy9 h ASN 53 Cb 0.73 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 1sy9 h ASN 53 CO 0.06 0.82 -0.16 -0.08 -1.29 0.00 0.00 177.43 176.77 1sy9 h GLU 54 N 1.35 0.00 0.00 6.67 4.81 -1.42 -2.49 114.58 123.50 1sy9 h GLU 54 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1sy9 h GLU 54 Cb -0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1sy9 h GLU 54 CO -0.09 0.16 -0.96 0.28 -0.73 0.00 0.00 179.01 177.67 1sy9 n VAL 55 N -4.05 0.00 -1.92 0.32 0.31 -0.46 -4.88 118.33 107.65 1sy9 n VAL 55 Ca -0.02 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.90 1sy9 n VAL 55 Cb 0.24 0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 34.13 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 -2.91 5.09 0.17 4.52 1.01 0.26 -4.80 116.67 120.00 1sy9 s ASP 56 Ca 0.07 0.57 -0.07 0.00 0.71 0.00 0.00 52.55 53.84 1sy9 s ASP 56 Cb 0.15 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.61 1sy9 s ASP 56 CO 0.83 -2.48 1.51 0.00 0.21 0.00 0.00 175.17 175.24 1sy9 h ALA 57 N 16.04 0.66 0.01 5.23 0.00 -1.88 -3.24 119.26 136.07 1sy9 h ALA 57 Ca -0.26 -0.46 -0.30 0.00 0.00 0.00 0.00 54.91 53.89 1sy9 h ALA 57 Cb 1.19 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1sy9 h ALA 57 CO 1.19 0.67 -1.76 -0.40 0.00 0.00 0.00 179.25 178.96 1sy9 n ASP 58 N -4.03 0.88 0.00 0.00 5.75 -1.26 -4.99 116.55 112.90 1sy9 n ASP 58 Ca -0.02 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 1sy9 n ASP 58 Cb 0.55 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 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 1.59 0.71 0.13 6.12 0.00 -1.23 -4.97 105.19 107.54 1sy9 n GLY 59 Ca -0.18 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 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 0.18 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.89 1sy9 h ASN 60 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.24 1sy9 h ASN 60 Cb 0.15 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.35 1sy9 h ASN 60 CO 0.00 0.90 0.00 0.61 0.07 0.00 0.00 177.43 179.01 1sy9 n GLY 61 N 0.72 1.01 3.34 9.14 0.00 -1.26 -5.12 105.19 113.02 1sy9 n GLY 61 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.96 0.65 -0.23 2.61 -4.23 -1.26 -4.92 115.64 106.30 1sy9 s THR 62 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1sy9 s THR 62 Cb 0.00 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 1sy9 s THR 62 CO 0.00 0.00 0.05 -0.63 -0.54 0.00 0.00 174.62 173.50 1sy9 s ILE 63 N -3.69 4.24 0.45 2.99 1.01 -1.26 -4.82 121.20 120.12 1sy9 s ILE 63 Ca 0.38 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.89 1sy9 s ILE 63 Cb 0.08 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1sy9 s ILE 63 CO 0.14 0.38 0.62 -1.81 0.00 0.00 0.00 174.94 174.26 1sy9 s ASP 64 N 1.31 5.57 0.23 3.58 1.01 -1.26 -3.74 116.67 123.37 1sy9 s ASP 64 Ca 0.05 -0.33 -0.10 0.00 0.71 0.00 0.00 52.55 52.87 1sy9 s ASP 64 Cb -0.15 -0.70 0.33 0.00 1.01 0.00 0.00 42.92 43.41 1sy9 s ASP 64 CO 0.03 -0.85 1.63 0.15 0.21 0.00 0.00 175.17 176.34 1sy9 h PHE 65 N 0.51 -0.18 -0.07 4.23 3.57 -2.00 0.77 116.94 123.77 1sy9 h PHE 65 Ca -0.40 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.02 1sy9 h PHE 65 Cb 1.28 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1sy9 h PHE 65 CO 0.39 -0.25 -0.56 -1.00 -2.23 0.00 0.00 178.31 174.67 1sy9 h PRO 66 N 0.06 0.20 -0.22 6.41 0.13 -1.99 -2.80 132.00 133.80 1sy9 h PRO 66 Ca 0.36 -0.13 -0.20 0.00 -0.87 0.00 0.00 66.00 65.16 1sy9 h PRO 66 Cb 0.59 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.74 1sy9 h PRO 66 CO -0.65 0.71 -0.65 0.93 -0.23 0.00 0.00 178.00 178.10 1sy9 h GLU 67 N 0.16 0.83 -0.38 0.86 5.08 -1.53 -3.01 114.58 116.58 1sy9 h GLU 67 Ca -0.00 -0.60 -0.02 0.00 -1.00 0.00 0.00 59.36 57.74 1sy9 h GLU 67 Cb 1.03 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1sy9 h GLU 67 CO 0.08 1.22 0.17 0.35 -1.00 0.00 0.00 179.01 179.84 1sy9 h PHE 68 N 0.59 0.56 -1.01 4.33 3.04 -0.88 -2.80 116.94 120.77 1sy9 h PHE 68 Ca -0.02 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.91 1sy9 h PHE 68 Cb 1.28 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 39.56 1sy9 h PHE 68 CO 0.08 0.49 0.66 -0.07 -2.02 0.00 0.00 178.31 177.45 1sy9 h LEU 69 N 0.48 1.16 -0.86 0.59 3.38 -1.54 -2.49 115.31 116.03 1sy9 h LEU 69 Ca 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1sy9 h LEU 69 Cb 0.15 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1sy9 h LEU 69 CO -0.01 0.84 0.50 0.74 0.09 0.00 0.00 178.44 180.60 1sy9 h THR 70 N 1.37 1.25 -0.38 0.22 2.02 -1.37 -2.99 112.91 113.03 1sy9 h THR 70 Ca 0.37 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1sy9 h THR 70 Cb -0.15 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.30 1sy9 h THR 70 CO -0.08 0.26 -0.28 -0.03 0.37 0.00 0.00 175.52 175.76 1sy9 h MET 71 N 1.20 0.87 0.00 6.66 1.85 -1.21 -2.48 114.93 121.82 1sy9 h MET 71 Ca 0.31 -0.42 -0.00 0.00 -0.61 0.00 0.00 59.70 58.98 1sy9 h MET 71 Cb -0.02 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.01 1sy9 h MET 71 CO -0.05 1.07 -0.00 1.98 -0.40 0.00 0.00 176.91 179.50 1sy9 h MET 72 N 0.68 -0.00 -0.09 0.39 -1.53 -1.36 -1.47 114.93 111.54 1sy9 h MET 72 Ca 0.07 0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.22 1sy9 h MET 72 Cb 0.86 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.90 1sy9 h MET 72 CO 0.08 0.00 -0.45 0.00 0.14 0.00 0.00 176.91 176.67 1sy9 h ALA 73 N 1.00 1.07 -0.12 0.39 0.00 -1.59 -2.59 119.26 117.42 1sy9 h ALA 73 Ca -0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1sy9 h ALA 73 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sy9 h ALA 73 CO 0.00 0.62 -0.47 0.00 0.00 0.00 0.00 179.25 179.39 1sy9 h ARG 74 N 0.18 0.54 -0.13 0.00 2.47 -1.26 -3.27 114.38 112.90 1sy9 h ARG 74 Ca 0.01 -0.41 -0.19 0.00 -1.26 0.00 0.00 59.98 58.13 1sy9 h ARG 74 Cb 0.87 0.08 0.01 0.00 -1.65 0.00 0.00 29.97 29.28 1sy9 h ARG 74 CO 0.07 1.04 -0.65 0.87 0.56 0.00 0.00 179.97 181.86 1sy9 h LYS 75 N 0.15 0.67 0.00 0.04 6.56 -1.30 -3.26 116.57 119.44 1sy9 h LYS 75 Ca -0.02 -0.55 -0.00 0.00 -1.06 0.00 0.00 60.65 59.02 1sy9 h LYS 75 Cb 1.11 0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1sy9 h LYS 75 CO 0.10 1.16 -0.00 0.00 -2.06 0.00 0.00 179.45 178.65 1sy9 h MET 76 N 0.35 0.00 0.23 3.15 -0.00 -1.58 -2.96 114.93 114.11 1sy9 h MET 76 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 1sy9 h MET 76 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.89 1sy9 h MET 76 CO 0.13 0.00 -0.11 -0.22 -0.00 0.00 0.00 176.91 176.72 1sy9 h LYS 77 N 0.00 -0.30 0.00 -0.10 3.64 -1.60 -2.71 116.57 115.50 1sy9 h LYS 77 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1sy9 h LYS 77 Cb 0.01 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1sy9 h LYS 77 CO 0.00 -0.08 0.00 -0.40 -2.27 0.00 0.00 179.45 176.70 1sy9 n ASP 78 N -5.15 0.12 -3.04 4.20 5.68 -1.14 -4.74 116.55 112.48 1sy9 n ASP 78 Ca -0.09 0.53 -0.12 0.00 -0.50 0.00 0.00 54.79 54.60 1sy9 n ASP 78 Cb 0.20 -0.55 0.08 0.00 -1.14 0.00 0.00 41.12 39.70 1sy9 n ASP 78 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1sy9 n THR 79 N -1.63 0.00 -4.69 2.12 -1.04 -1.02 -5.10 114.28 102.92 1sy9 n THR 79 Ca 0.03 -0.60 -0.23 0.00 -2.04 0.00 0.00 64.05 61.21 1sy9 n THR 79 Cb 0.18 -1.47 -0.15 0.00 -1.82 0.00 0.00 70.33 67.07 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 -3.10 1.85 0.38 8.00 1.01 -1.26 -5.02 116.67 118.53 1sy9 s ASP 80 Ca 0.33 -0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.33 1sy9 s ASP 80 Cb -0.01 -0.19 0.76 0.00 1.01 0.00 0.00 42.92 44.48 1sy9 s ASP 80 CO 0.23 0.17 2.04 -1.28 0.21 0.00 0.00 175.17 176.54 1sy9 h SER 81 N 5.61 0.58 -0.44 0.27 0.87 -1.97 -0.82 113.55 117.67 1sy9 h SER 81 Ca -0.36 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 1sy9 h SER 81 Cb 1.16 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1sy9 h SER 81 CO 0.48 0.42 0.25 -0.33 -0.53 0.00 0.00 176.83 177.12 1sy9 h GLU 82 N 0.69 0.64 -0.38 2.24 5.08 -2.00 -2.31 114.58 118.54 1sy9 h GLU 82 Ca 0.19 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 1sy9 h GLU 82 Cb -0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1sy9 h GLU 82 CO -0.04 0.48 -0.41 0.93 -1.00 0.00 0.00 179.01 178.97 1sy9 h GLU 83 N 0.64 0.94 -0.44 2.33 5.08 -1.57 -2.63 114.58 118.94 1sy9 h GLU 83 Ca 0.17 -0.51 -0.15 0.00 -1.00 0.00 0.00 59.36 57.87 1sy9 h GLU 83 Cb 0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1sy9 h GLU 83 CO -0.03 1.16 -0.29 0.93 -1.00 0.00 0.00 179.01 179.79 1sy9 h GLU 84 N 0.76 0.98 0.11 2.33 5.08 -1.17 -2.58 114.58 120.10 1sy9 h GLU 84 Ca 0.06 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1sy9 h GLU 84 Cb 1.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1sy9 h GLU 84 CO 0.10 1.13 -0.05 0.82 -1.00 0.00 0.00 179.01 180.01 1sy9 h ILE 85 N 0.83 1.09 -0.91 3.13 2.04 -1.46 -2.09 117.51 120.13 1sy9 h ILE 85 Ca 0.09 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1sy9 h ILE 85 Cb 0.88 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1sy9 h ILE 85 CO 0.08 0.20 0.61 0.08 0.00 0.00 0.00 178.15 179.12 1sy9 h ARG 86 N -0.56 1.20 -0.29 2.37 0.11 -1.53 -2.21 114.38 113.47 1sy9 h ARG 86 Ca -0.02 -0.07 -0.15 0.00 0.10 0.00 0.00 59.98 59.84 1sy9 h ARG 86 Cb 0.45 -0.27 -0.00 0.00 1.11 0.00 0.00 29.97 31.25 1sy9 h ARG 86 CO 0.02 0.80 -0.40 0.93 0.10 0.00 0.00 179.97 181.42 1sy9 h GLU 87 N 1.24 0.79 -0.47 0.08 5.08 -1.50 -2.69 114.58 117.10 1sy9 h GLU 87 Ca 0.33 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1sy9 h GLU 87 Cb -0.14 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1sy9 h GLU 87 CO -0.07 1.08 0.13 0.00 -1.00 0.00 0.00 179.01 179.15 1sy9 h ALA 88 N 0.69 0.62 -0.81 3.43 0.00 -1.21 -2.19 119.26 119.79 1sy9 h ALA 88 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1sy9 h ALA 88 Cb 0.99 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1sy9 h ALA 88 CO 0.09 0.29 0.42 0.35 0.00 0.00 0.00 179.25 180.40 1sy9 h PHE 89 N 0.63 1.14 -0.72 0.00 3.04 -1.45 -2.19 116.94 117.39 1sy9 h PHE 89 Ca 0.15 -0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1sy9 h PHE 89 Cb 0.30 -0.36 -0.04 0.00 2.56 0.00 0.00 35.95 38.41 1sy9 h PHE 89 CO 0.02 0.81 0.48 -0.09 -2.02 0.00 0.00 178.31 177.51 1sy9 h ARG 90 N 1.14 0.95 0.00 1.11 2.43 -1.14 0.36 114.38 119.23 1sy9 h ARG 90 Ca 0.28 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1sy9 h ARG 90 Cb 0.07 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1sy9 h ARG 90 CO -0.04 0.63 -0.00 0.28 -1.51 0.00 0.00 179.97 179.32 1sy9 h VAL 91 N 0.97 1.40 -0.52 0.20 2.07 -0.81 -3.26 116.25 116.31 1sy9 h VAL 91 Ca 0.27 -1.17 -0.12 0.00 0.82 0.00 0.00 66.70 66.49 1sy9 h VAL 91 Cb -0.11 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1sy9 h VAL 91 CO -0.06 0.30 -0.16 -0.26 0.02 0.00 0.00 177.57 177.42 1sy9 h PHE 92 N -0.50 1.16 -0.53 1.57 0.04 -1.24 -3.32 116.94 114.12 1sy9 h PHE 92 Ca -0.00 -0.26 -0.68 0.00 2.80 0.00 0.00 57.97 59.83 1sy9 h PHE 92 Cb 0.50 -0.28 -0.06 0.00 2.20 0.00 0.00 35.95 38.31 1sy9 h PHE 92 CO 0.10 1.09 2.51 -3.47 -0.60 0.00 0.00 178.31 177.94 1sy9 n ASP 93 N -4.13 4.47 -0.14 2.17 2.03 0.13 -4.73 116.55 116.36 1sy9 n ASP 93 Ca 0.01 -2.88 -0.12 0.00 0.52 0.00 0.00 54.79 52.31 1sy9 n ASP 93 Cb 0.43 -1.71 -0.01 0.00 -0.72 0.00 0.00 41.12 39.11 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1sy9 h LYS 94 N 7.07 0.94 0.00 -0.67 1.57 -1.73 -2.89 116.57 120.86 1sy9 h LYS 94 Ca 0.49 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1sy9 h LYS 94 Cb 0.79 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1sy9 h LYS 94 CO 1.61 1.10 -0.12 0.38 -0.57 0.00 0.00 179.45 181.85 1sy9 h ASP 95 N 0.77 0.00 -1.46 0.86 2.03 -1.93 -3.47 116.42 113.22 1sy9 h ASP 95 Ca 0.09 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.12 1sy9 h ASP 95 Cb 0.85 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.31 1sy9 h ASP 95 CO 0.08 0.12 -0.31 0.61 -1.03 0.00 0.00 179.24 178.71 1sy9 n GLY 96 N 0.51 0.39 0.07 7.15 0.00 -1.09 -4.87 105.19 107.35 1sy9 n GLY 96 Ca 0.02 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.43 0.38 0.00 1.61 6.94 -1.26 -4.85 115.26 117.65 1sy9 n ASN 97 Ca -0.15 0.59 0.00 0.00 -0.02 0.00 0.00 54.58 55.00 1sy9 n ASN 97 Cb 0.56 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 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 -0.01 2.44 3.13 4.83 0.00 -1.26 -5.07 105.19 109.25 1sy9 n GLY 98 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.20 0.13 -0.06 1.61 1.13 -1.26 -2.07 117.35 114.63 1sy9 s TYR 99 Ca 0.00 -0.36 -0.21 0.00 -1.41 0.00 0.00 57.07 55.09 1sy9 s TYR 99 Cb 0.00 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.73 1sy9 s TYR 99 CO 0.00 -0.37 0.60 0.42 -2.51 0.00 0.00 175.55 173.69 1sy9 s ILE 100 N -2.32 5.05 0.68 -3.49 1.01 -0.72 -4.88 121.20 116.52 1sy9 s ILE 100 Ca -0.07 1.23 -0.05 0.00 0.00 0.00 0.00 60.65 61.77 1sy9 s ILE 100 Cb -0.03 -3.94 0.07 0.00 0.01 0.00 0.00 42.46 38.57 1sy9 s ILE 100 CO -0.03 0.33 0.97 -0.44 0.00 0.00 0.00 174.94 175.76 1sy9 s SER 101 N 0.43 4.81 0.19 3.58 0.01 -1.26 -3.40 113.70 118.06 1sy9 s SER 101 Ca 0.32 0.26 -0.09 0.00 1.31 0.00 0.00 55.95 57.75 1sy9 s SER 101 Cb -0.17 -0.92 0.08 0.00 0.21 0.00 0.00 66.02 65.22 1sy9 s SER 101 CO 0.15 -1.56 1.66 0.00 0.41 0.00 0.00 173.24 173.91 1sy9 h ALA 102 N -0.47 0.86 -0.73 1.44 0.00 -1.93 -2.52 119.26 115.91 1sy9 h ALA 102 Ca -0.43 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1sy9 h ALA 102 Cb 1.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1sy9 h ALA 102 CO 0.56 0.67 0.33 0.00 0.00 0.00 0.00 179.25 180.80 1sy9 h ALA 103 N 1.02 1.21 -0.89 0.00 0.00 -1.97 -2.53 119.26 116.11 1sy9 h ALA 103 Ca 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sy9 h ALA 103 Cb 0.50 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1sy9 h ALA 103 CO 0.02 0.59 0.47 0.93 0.00 0.00 0.00 179.25 181.26 1sy9 h GLU 104 N 1.04 1.25 -0.40 0.00 5.08 -1.80 -1.83 114.58 117.91 1sy9 h GLU 104 Ca 0.25 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1sy9 h GLU 104 Cb 0.14 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1sy9 h GLU 104 CO -0.03 0.93 0.23 1.25 -1.00 0.00 0.00 179.01 180.39 1sy9 h LEU 105 N 1.25 0.50 -1.64 1.33 6.46 -1.15 -2.20 115.31 119.87 1sy9 h LEU 105 Ca 0.31 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1sy9 h LEU 105 Cb 0.06 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1sy9 h LEU 105 CO -0.05 0.43 -0.20 -0.09 -0.62 0.00 0.00 178.44 177.92 1sy9 h ARG 106 N 0.53 0.00 -0.29 1.25 2.43 -1.25 -2.94 114.38 114.10 1sy9 h ARG 106 Ca 0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1sy9 h ARG 106 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1sy9 h ARG 106 CO -0.02 0.20 0.16 1.25 -1.51 0.00 0.00 179.97 180.04 1sy9 h HIS 107 N 0.00 0.40 -0.03 2.20 2.76 -0.68 -2.10 115.15 117.69 1sy9 h HIS 107 Ca -0.00 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 1sy9 h HIS 107 Cb 0.37 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1sy9 h HIS 107 CO 0.00 0.33 -0.16 0.28 -1.30 0.00 0.00 177.93 177.08 1sy9 h VAL 108 N 0.35 1.48 -1.00 5.26 2.07 -1.49 -2.53 116.25 120.40 1sy9 h VAL 108 Ca 0.10 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 66.01 1sy9 h VAL 108 Cb 0.06 2.47 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 1sy9 h VAL 108 CO -0.02 0.45 0.66 0.24 0.02 0.00 0.00 177.57 178.92 1sy9 h MET 109 N -0.42 1.23 -0.28 1.57 2.07 -1.56 0.30 114.93 117.84 1sy9 h MET 109 Ca -0.01 -0.07 -0.05 0.00 -2.07 0.00 0.00 59.70 57.50 1sy9 h MET 109 Cb 0.82 -0.28 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 1sy9 h MET 109 CO 0.03 0.81 -0.02 1.15 1.07 0.00 0.00 176.91 179.96 1sy9 h THR 110 N 1.27 1.26 -0.31 2.22 2.02 -1.45 -1.16 112.91 116.76 1sy9 h THR 110 Ca 0.40 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1sy9 h THR 110 Cb 0.01 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1sy9 h THR 110 CO -0.13 0.31 0.13 0.78 0.37 0.00 0.00 175.52 176.98 1sy9 h ASN 111 N 0.28 0.39 -0.34 4.18 2.35 -0.91 -1.94 115.58 119.59 1sy9 h ASN 111 Ca 0.08 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1sy9 h ASN 111 Cb 0.46 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1sy9 h ASN 111 CO 0.02 0.36 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.78 1sy9 h LEU 112 N 0.44 0.90 0.00 1.61 3.38 0.02 -3.47 115.31 118.18 1sy9 h LEU 112 Ca 0.11 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1sy9 h LEU 112 Cb 0.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1sy9 h LEU 112 CO -0.01 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.26 1sy9 n GLY 113 N -0.04 1.01 3.20 0.83 0.00 -0.55 -4.88 105.19 104.75 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 1.85 0.00 0.00 0.00 173.32 175.17 1sy9 s GLU 114 N -0.00 2.07 -0.20 1.61 2.12 -0.55 -5.02 118.70 118.72 1sy9 s GLU 114 Ca 0.00 -0.75 -0.14 0.00 0.36 0.00 0.00 54.97 54.45 1sy9 s GLU 114 Cb 0.00 -1.80 -0.04 0.00 0.26 0.00 0.00 34.13 32.54 1sy9 s GLU 114 CO 0.00 0.33 0.29 0.15 -0.54 0.00 0.00 175.26 175.49 1sy9 s LYS 115 N -0.12 4.16 0.03 4.30 1.02 -1.26 -4.18 119.74 123.69 1sy9 s LYS 115 Ca -0.02 0.02 -0.18 0.00 0.02 0.00 0.00 55.97 55.81 1sy9 s LYS 115 Cb -0.12 -3.51 0.03 0.00 -0.52 0.00 0.00 37.83 33.72 1sy9 s LYS 115 CO 0.02 0.06 0.40 -0.48 -0.92 0.00 0.00 175.35 174.43 1sy9 s LEU 116 N 1.02 0.48 0.63 3.17 2.34 -1.26 -5.14 118.68 119.92 1sy9 s LEU 116 Ca 0.14 0.02 -0.05 0.00 0.06 0.00 0.00 54.13 54.31 1sy9 s LEU 116 Cb -0.14 1.66 0.04 0.00 -0.56 0.00 0.00 46.19 47.18 1sy9 s LEU 116 CO 0.06 -0.62 0.92 0.42 -1.06 0.00 0.00 176.35 176.07 1sy9 s THR 117 N -2.24 2.87 0.42 5.48 -4.23 -1.26 -4.94 115.64 111.74 1sy9 s THR 117 Ca -0.07 -0.26 0.38 0.00 -1.18 0.00 0.00 61.69 60.57 1sy9 s THR 117 Cb -0.01 -3.17 0.41 0.00 1.34 0.00 0.00 72.50 71.06 1sy9 s THR 117 CO -0.01 -0.17 2.19 -2.24 -0.54 0.00 0.00 174.62 173.86 1sy9 h ASP 118 N -0.30 0.00 -0.21 3.99 2.03 -2.00 -1.47 116.42 118.45 1sy9 h ASP 118 Ca -0.44 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 55.71 1sy9 h ASP 118 Cb 1.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 1sy9 h ASP 118 CO 0.59 0.02 -0.40 -0.33 -1.03 0.00 0.00 179.24 178.08 1sy9 h GLU 119 N 0.00 0.75 -0.91 4.15 5.08 -2.00 -1.78 114.58 119.88 1sy9 h GLU 119 Ca -0.00 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1sy9 h GLU 119 Cb 0.23 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1sy9 h GLU 119 CO 0.00 1.02 0.51 1.49 -1.00 0.00 0.00 179.01 181.03 1sy9 h GLU 120 N 0.62 1.27 -0.39 2.33 4.81 -1.63 -2.54 114.58 119.05 1sy9 h GLU 120 Ca 0.05 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 1sy9 h GLU 120 Cb 0.95 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1sy9 h GLU 120 CO 0.09 0.92 -0.38 0.28 -0.73 0.00 0.00 179.01 179.19 1sy9 h VAL 121 N 1.28 1.27 -0.16 0.32 2.07 -1.37 -3.08 116.25 116.58 1sy9 h VAL 121 Ca 0.32 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1sy9 h VAL 121 Cb 0.01 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1sy9 h VAL 121 CO -0.05 0.52 0.10 -0.78 0.02 0.00 0.00 177.57 177.37 1sy9 h ASP 122 N 0.77 0.16 -1.01 0.57 1.82 -0.92 -2.52 116.42 115.28 1sy9 h ASP 122 Ca 0.06 -0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1sy9 h ASP 122 Cb 0.98 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.90 1sy9 h ASP 122 CO 0.09 0.12 0.67 -0.08 -1.61 0.00 0.00 179.24 178.43 1sy9 h GLU 123 N 0.20 1.32 -0.91 0.28 4.81 -1.52 -1.55 114.58 117.21 1sy9 h GLU 123 Ca 0.06 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1sy9 h GLU 123 Cb -0.01 -0.30 -0.07 0.00 0.63 0.00 0.00 28.75 29.00 1sy9 h GLU 123 CO -0.02 0.88 0.58 0.52 -0.73 0.00 0.00 179.01 180.24 1sy9 h MET 124 N 1.36 0.84 -0.51 1.92 2.86 -1.36 0.19 114.93 120.24 1sy9 h MET 124 Ca 0.37 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.90 1sy9 h MET 124 Cb -0.16 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.29 1sy9 h MET 124 CO -0.08 0.55 0.07 0.82 1.06 0.00 0.00 176.91 179.33 1sy9 h ILE 125 N 0.86 1.23 -0.98 -1.22 1.08 -1.07 -2.75 117.51 114.66 1sy9 h ILE 125 Ca 0.43 -0.90 0.05 0.00 -0.39 0.00 0.00 64.86 64.05 1sy9 h ILE 125 Cb 0.48 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 34.95 1sy9 h ILE 125 CO -0.20 0.32 0.64 -0.09 -0.69 0.00 0.00 178.15 178.14 1sy9 h ARG 126 N 0.76 1.17 -0.94 2.37 2.43 -0.27 0.64 114.38 120.54 1sy9 h ARG 126 Ca 0.16 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1sy9 h ARG 126 Cb 0.37 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 1sy9 h ARG 126 CO 0.01 0.77 0.62 0.93 -1.51 0.00 0.00 179.97 180.79 1sy9 h GLU 127 N 1.20 1.24 0.00 0.20 5.08 -1.16 -2.96 114.58 118.18 1sy9 h GLU 127 Ca 0.40 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1sy9 h GLU 127 Cb 0.07 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1sy9 h GLU 127 CO -0.14 0.82 -1.68 0.00 -1.00 0.00 0.00 179.01 177.00 1sy9 n ALA 128 N -2.39 2.96 -1.34 3.43 0.00 -0.94 -4.70 120.51 117.53 1sy9 n ALA 128 Ca 0.11 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1sy9 n ALA 128 Cb 0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.25 2.85 -0.17 0.00 2.03 0.22 -4.66 116.55 114.58 1sy9 n ASP 129 Ca -0.02 -2.71 -0.11 0.00 0.52 0.00 0.00 54.79 52.46 1sy9 n ASP 129 Cb 0.54 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 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 4.51 1.27 0.00 5.18 2.04 -1.84 -2.92 117.51 125.75 1sy9 h ILE 130 Ca 0.44 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1sy9 h ILE 130 Cb 0.68 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1sy9 h ILE 130 CO 1.90 0.46 0.00 -2.24 0.00 0.00 0.00 178.15 178.26 1sy9 h ASP 131 N 0.84 0.00 0.00 1.72 2.03 -1.94 -3.47 116.42 115.61 1sy9 h ASP 131 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1sy9 h ASP 131 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 1sy9 h ASP 131 CO 0.06 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.88 1sy9 n GLY 132 N 0.28 0.43 0.03 7.15 0.00 -1.10 -4.93 105.19 107.05 1sy9 n GLY 132 Ca 0.02 -0.98 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 1.88 0.20 0.00 1.61 5.75 -1.26 -4.89 116.55 119.83 1sy9 n ASP 133 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1sy9 n ASP 133 Cb 0.12 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 1.37 1.05 3.00 6.12 0.00 -1.26 -5.00 105.19 110.48 1sy9 n GLY 134 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.16 0.38 -0.42 1.61 -0.21 -1.26 -4.83 119.66 114.77 1sy9 s GLN 135 Ca 0.00 -0.63 -0.20 0.00 0.02 0.00 0.00 55.36 54.55 1sy9 s GLN 135 Cb 0.00 -0.04 0.02 0.00 1.00 0.00 0.00 33.01 33.98 1sy9 s GLN 135 CO 0.00 -0.01 0.59 0.08 -2.12 0.00 0.00 175.29 173.83 1sy9 s VAL 136 N -1.36 4.90 0.86 1.09 1.01 -1.22 -4.78 120.40 120.91 1sy9 s VAL 136 Ca -0.13 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1sy9 s VAL 136 Cb -0.10 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.27 1sy9 s VAL 136 CO -0.00 -0.50 1.23 0.20 0.00 0.00 0.00 175.10 176.02 1sy9 s ASN 137 N 1.92 4.02 0.16 3.32 0.01 -1.26 -1.76 114.94 121.36 1sy9 s ASN 137 Ca 0.20 0.60 -0.10 0.00 -0.71 0.00 0.00 52.86 52.85 1sy9 s ASN 137 Cb -0.15 -0.94 0.01 0.00 0.41 0.00 0.00 41.25 40.59 1sy9 s ASN 137 CO 0.17 -2.19 1.56 0.22 -1.51 0.00 0.00 177.10 175.34 1sy9 h TYR 138 N -1.26 1.15 0.20 2.20 5.03 -1.83 -2.45 116.97 120.01 1sy9 h TYR 138 Ca -0.45 -0.27 -0.01 0.00 2.58 0.00 0.00 58.73 60.58 1sy9 h TYR 138 Cb 1.30 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 39.31 1sy9 h TYR 138 CO -0.20 1.10 -0.10 0.93 -1.32 0.00 0.00 178.16 178.58 1sy9 h GLU 139 N 0.88 -0.26 0.00 1.82 4.39 -1.94 -2.93 114.58 116.54 1sy9 h GLU 139 Ca 0.12 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1sy9 h GLU 139 Cb 0.77 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1sy9 h GLU 139 CO 0.06 -0.06 -0.15 1.05 -1.16 0.00 0.00 179.01 178.75 1sy9 h GLU 140 N -0.41 0.00 -0.77 2.33 4.11 -1.94 -2.99 114.58 114.91 1sy9 h GLU 140 Ca -0.03 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.41 1sy9 h GLU 140 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1sy9 h GLU 140 CO 0.05 0.15 0.51 0.35 0.07 0.00 0.00 179.01 180.13 1sy9 h PHE 141 N 0.00 0.98 -0.28 2.06 3.04 -1.24 -2.56 116.94 118.93 1sy9 h PHE 141 Ca -0.00 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 1sy9 h PHE 141 Cb 0.57 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 1sy9 h PHE 141 CO 0.00 0.62 -0.44 0.28 -2.02 0.00 0.00 178.31 176.75 1sy9 h VAL 142 N 1.05 1.29 0.00 1.41 2.07 -1.50 -3.12 116.25 117.45 1sy9 h VAL 142 Ca 0.28 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1sy9 h VAL 142 Cb -0.12 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1sy9 h VAL 142 CO -0.06 0.52 -0.00 -0.61 0.02 0.00 0.00 177.57 177.44 1sy9 h GLN 143 N 0.58 -0.00 -0.78 1.57 4.15 -1.46 -1.13 115.11 118.03 1sy9 h GLN 143 Ca 0.04 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1sy9 h GLN 143 Cb 0.99 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.64 1sy9 h GLN 143 CO 0.09 -0.00 0.52 1.98 -1.93 0.00 0.00 178.83 179.49 1sy9 h MET 144 N -0.00 1.03 -0.56 1.69 4.05 -1.56 -2.58 114.93 116.99 1sy9 h MET 144 Ca 0.00 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.25 1sy9 h MET 144 Cb 0.01 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.56 1sy9 h MET 144 CO -0.00 0.68 -0.10 0.52 0.23 0.00 0.00 176.91 178.24 1sy9 h MET 145 N 1.06 1.05 -0.15 0.39 2.86 -1.40 -2.82 114.93 115.92 1sy9 h MET 145 Ca 0.29 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1sy9 h MET 145 Cb -0.12 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1sy9 h MET 145 CO -0.06 1.08 0.15 1.15 1.06 0.00 0.00 176.91 180.29 1sy9 h THR 146 N 0.94 0.54 -3.51 2.22 2.02 -0.80 -3.41 112.91 110.91 1sy9 h THR 146 Ca 0.15 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.81 1sy9 h THR 146 Cb 0.67 0.88 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1sy9 h THR 146 CO 0.05 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.44 1sy9 s ALA 147 N -4.69 3.38 0.00 6.16 0.00 -1.07 -5.13 121.76 120.42 1sy9 s ALA 147 Ca -0.05 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1sy9 s ALA 147 Cb 0.16 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1sy9 s ALA 147 CO 0.57 -0.27 0.36 1.63 0.00 0.00 0.00 175.76 178.05