#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 -4.56 -0.22 0.00 8.00 -1.26 -4.85 116.55 113.66 1sy9 n ASP 2 Ca 0.00 -0.66 -0.08 0.00 0.71 0.00 0.00 54.79 54.76 1sy9 n ASP 2 Cb 0.00 -3.68 0.03 0.00 -0.02 0.00 0.00 41.12 37.46 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 -1.70 1.01 0.00 -1.24 4.20 -2.06 -3.43 115.11 111.89 1sy9 h GLN 3 Ca -0.54 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 57.92 1sy9 h GLN 3 Cb 1.35 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1sy9 h GLN 3 CO 0.64 0.92 0.00 1.28 -0.67 0.00 0.00 178.83 181.00 1sy9 n LEU 4 N -4.32 0.00 -0.07 1.46 4.77 -1.26 -5.02 117.00 112.56 1sy9 n LEU 4 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1sy9 n LEU 4 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1sy9 n LEU 4 CO 0.41 0.00 0.28 0.35 -1.33 0.00 0.00 177.39 177.11 1sy9 n THR 5 N -0.05 0.15 0.18 -5.08 -2.24 -1.26 -4.86 114.28 101.12 1sy9 n THR 5 Ca 0.00 -0.16 0.09 0.00 -2.27 0.00 0.00 64.05 61.72 1sy9 n THR 5 Cb 0.00 0.85 0.51 0.00 -2.10 0.00 0.00 70.33 69.58 1sy9 n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sy9 h GLU 6 N 0.00 0.00 -0.59 -0.78 5.08 -1.95 -2.20 114.58 114.14 1sy9 h GLU 6 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1sy9 h GLU 6 Cb 1.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1sy9 h GLU 6 CO 0.00 0.00 0.17 1.05 -1.00 0.00 0.00 179.01 179.23 1sy9 h GLU 7 N 0.00 0.93 -0.59 2.33 4.11 -1.91 -2.90 114.58 116.55 1sy9 h GLU 7 Ca 0.00 -0.21 -0.09 0.00 0.07 0.00 0.00 59.36 59.13 1sy9 h GLU 7 Cb 0.34 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1sy9 h GLU 7 CO 0.00 0.84 0.01 1.96 0.07 0.00 0.00 179.01 181.89 1sy9 h GLN 8 N 0.84 1.02 -0.12 1.06 4.20 -1.81 -3.01 115.11 117.29 1sy9 h GLN 8 Ca 0.19 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1sy9 h GLN 8 Cb 0.31 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1sy9 h GLN 8 CO -0.00 0.99 0.08 0.82 -0.67 0.00 0.00 178.83 180.05 1sy9 h ILE 9 N 0.94 1.03 -0.99 2.54 2.04 -1.61 -2.17 117.51 119.29 1sy9 h ILE 9 Ca 0.17 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.99 1sy9 h ILE 9 Cb 0.53 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1sy9 h ILE 9 CO 0.03 0.03 0.65 0.00 0.00 0.00 0.00 178.15 178.86 1sy9 h ALA 10 N 1.92 1.30 -0.87 1.87 0.00 -1.43 -2.13 119.26 119.93 1sy9 h ALA 10 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1sy9 h ALA 10 Cb -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 17.34 1sy9 h ALA 10 CO -0.01 0.65 0.57 0.93 0.00 0.00 0.00 179.25 181.39 1sy9 h GLU 11 N 1.34 1.10 0.00 0.00 4.39 -1.52 -0.84 114.58 119.05 1sy9 h GLU 11 Ca 0.36 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 1sy9 h GLU 11 Cb -0.15 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.25 1sy9 h GLU 11 CO -0.08 0.73 -0.04 0.74 -1.16 0.00 0.00 179.01 179.20 1sy9 h PHE 12 N 1.13 0.00 -0.33 4.33 -1.00 -1.41 -2.45 116.94 117.21 1sy9 h PHE 12 Ca 0.33 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.97 1sy9 h PHE 12 Cb -0.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 1sy9 h PHE 12 CO -0.02 0.04 -0.37 0.87 -1.61 0.00 0.00 178.31 177.23 1sy9 h LYS 13 N 0.00 0.83 0.18 1.51 1.79 -0.93 -2.49 116.57 117.46 1sy9 h LYS 13 Ca -0.00 -0.45 -0.01 0.00 -2.18 0.00 0.00 60.65 58.01 1sy9 h LYS 13 Cb 0.28 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1sy9 h LYS 13 CO 0.01 1.09 -0.09 0.93 -1.08 0.00 0.00 179.45 180.31 1sy9 h GLU 14 N 0.61 -0.23 0.00 3.15 5.08 -1.36 -2.72 114.58 119.11 1sy9 h GLU 14 Ca 0.05 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1sy9 h GLU 14 Cb 0.95 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1sy9 h GLU 14 CO 0.09 -0.16 -0.02 0.00 -1.00 0.00 0.00 179.01 177.92 1sy9 h ALA 15 N 0.58 1.01 -0.09 3.43 0.00 -1.58 -3.28 119.26 119.33 1sy9 h ALA 15 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sy9 h ALA 15 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1sy9 h ALA 15 CO 0.04 0.03 -0.03 0.35 0.00 0.00 0.00 179.25 179.64 1sy9 h PHE 16 N 0.00 -0.06 -0.54 0.00 3.04 -1.10 0.13 116.94 118.40 1sy9 h PHE 16 Ca -0.00 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 1sy9 h PHE 16 Cb 0.52 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 1sy9 h PHE 16 CO 0.00 -0.04 -0.08 0.66 -2.02 0.00 0.00 178.31 176.83 1sy9 h SER 17 N -0.00 0.99 -1.00 0.41 4.64 -1.65 -0.25 113.55 116.68 1sy9 h SER 17 Ca 0.05 -0.31 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1sy9 h SER 17 Cb 0.07 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.85 1sy9 h SER 17 CO -0.10 1.09 0.66 0.25 -0.87 0.00 0.00 176.83 177.86 1sy9 h LEU 18 N 0.90 1.16 -0.19 5.97 5.85 -1.53 -2.34 115.31 125.11 1sy9 h LEU 18 Ca 0.15 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.63 1sy9 h LEU 18 Cb 0.63 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1sy9 h LEU 18 CO 0.04 0.84 -0.93 0.15 -0.34 0.00 0.00 178.44 178.20 1sy9 h PHE 19 N 1.36 0.18 -2.97 1.25 3.57 -0.49 -3.41 116.94 116.44 1sy9 h PHE 19 Ca 0.37 -0.11 -0.67 0.00 3.53 0.00 0.00 57.97 61.09 1sy9 h PHE 19 Cb -0.15 -0.02 -0.17 0.00 2.79 0.00 0.00 35.95 38.40 1sy9 h PHE 19 CO 0.00 0.98 0.25 0.34 -2.23 0.00 0.00 178.31 177.65 1sy9 s ASP 20 N -6.87 6.21 0.26 0.41 -1.08 -0.13 -4.87 116.67 110.60 1sy9 s ASP 20 Ca -0.01 -1.07 -0.05 0.00 -0.52 0.00 0.00 52.55 50.89 1sy9 s ASP 20 Cb 0.10 -2.34 0.30 0.00 -1.46 0.00 0.00 42.92 39.52 1sy9 s ASP 20 CO 0.82 -1.15 1.94 0.11 0.52 0.00 0.00 175.17 177.41 1sy9 h LYS 21 N 9.24 1.28 0.00 4.34 1.79 -1.80 -2.49 116.57 128.94 1sy9 h LYS 21 Ca -0.28 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1sy9 h LYS 21 Cb 1.08 -0.29 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1sy9 h LYS 21 CO 1.08 0.85 -0.00 -0.25 -1.08 0.00 0.00 179.45 180.05 1sy9 n ASP 22 N -4.39 0.29 -2.29 0.86 8.00 -1.26 -4.89 116.55 112.87 1sy9 n ASP 22 Ca 0.11 0.52 -0.16 0.00 0.71 0.00 0.00 54.79 55.98 1sy9 n ASP 22 Cb 0.01 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.50 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 1.43 -0.22 0.17 0.44 0.00 -0.94 -4.81 105.19 101.27 1sy9 n GLY 23 Ca 0.06 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 -1.75 0.78 0.00 1.61 5.75 -1.26 -4.92 116.55 116.76 1sy9 n ASP 24 Ca -0.19 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 1sy9 n ASP 24 Cb 0.63 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 1.34 0.60 3.04 6.12 0.00 -1.26 -5.07 105.19 109.96 1sy9 n GLY 25 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.13 0.02 -0.24 2.61 -4.23 -1.26 -4.10 115.64 106.31 1sy9 s THR 26 Ca 0.00 -0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 60.28 1sy9 s THR 26 Cb 0.00 -0.25 -0.05 0.00 1.34 0.00 0.00 72.50 73.54 1sy9 s THR 26 CO 0.00 -0.07 0.15 -0.63 -0.54 0.00 0.00 174.62 173.53 1sy9 s ILE 27 N -0.19 5.17 -0.12 2.99 1.01 -0.86 -4.92 121.20 124.29 1sy9 s ILE 27 Ca -0.03 0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 1sy9 s ILE 27 Cb -0.02 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1sy9 s ILE 27 CO 0.00 0.33 0.14 0.42 0.00 0.00 0.00 174.94 175.84 1sy9 s THR 28 N 1.22 5.51 0.56 2.92 -4.23 -1.26 -2.90 115.64 117.46 1sy9 s THR 28 Ca 0.07 0.21 0.42 0.00 -1.18 0.00 0.00 61.69 61.22 1sy9 s THR 28 Cb -0.14 -3.40 0.63 0.00 1.34 0.00 0.00 72.50 70.92 1sy9 s THR 28 CO 0.06 0.62 1.63 0.71 -0.54 0.00 0.00 174.62 177.09 1sy9 h THR 29 N 3.98 0.15 0.04 3.99 1.35 -1.92 0.29 112.91 120.79 1sy9 h THR 29 Ca -0.55 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1sy9 h THR 29 Cb 1.23 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1sy9 h THR 29 CO 0.58 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 175.94 1sy9 h LYS 30 N 0.00 -0.05 0.36 4.72 1.57 -1.99 -1.87 116.57 119.30 1sy9 h LYS 30 Ca 0.74 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.50 1sy9 h LYS 30 Cb 3.09 0.01 0.00 0.00 0.08 0.00 0.00 32.23 35.42 1sy9 h LYS 30 CO -0.01 0.21 -0.19 0.93 -0.57 0.00 0.00 179.45 179.82 1sy9 h GLU 31 N -0.31 -0.49 -0.54 3.15 5.08 -0.81 -2.90 114.58 117.75 1sy9 h GLU 31 Ca -0.01 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1sy9 h GLU 31 Cb 0.28 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1sy9 h GLU 31 CO 0.01 -0.33 0.35 1.25 -1.00 0.00 0.00 179.01 179.29 1sy9 h LEU 32 N -0.51 0.62 -1.92 1.33 6.46 -1.56 -2.44 115.31 117.29 1sy9 h LEU 32 Ca -0.05 -0.02 0.28 0.00 -0.12 0.00 0.00 57.88 57.98 1sy9 h LEU 32 Cb 0.41 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 1sy9 h LEU 32 CO 0.07 0.45 0.71 1.23 -0.62 0.00 0.00 178.44 180.27 1sy9 h GLY 33 N 0.73 0.15 1.14 3.75 0.00 -1.12 0.11 103.07 107.84 1sy9 h GLY 33 Ca 0.20 -0.03 -0.17 0.00 0.00 0.00 0.00 47.33 47.33 1sy9 h GLY 33 CO -0.04 -0.01 -0.41 -0.84 0.00 0.00 0.00 176.54 175.23 1sy9 h THR 34 N 0.06 1.27 0.39 4.70 2.02 -1.52 -2.03 112.91 117.79 1sy9 h THR 34 Ca 0.48 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 1sy9 h THR 34 Cb 1.83 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1sy9 h THR 34 CO -0.04 0.53 -0.19 0.58 0.37 0.00 0.00 175.52 176.78 1sy9 h VAL 35 N 0.76 0.63 -0.14 3.16 2.07 -0.91 -2.40 116.25 119.41 1sy9 h VAL 35 Ca 0.05 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1sy9 h VAL 35 Cb 1.01 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1sy9 h VAL 35 CO 0.10 0.04 0.09 0.24 0.02 0.00 0.00 177.57 178.06 1sy9 h MET 36 N -0.63 0.18 -0.87 1.57 2.86 -1.55 -1.19 114.93 115.30 1sy9 h MET 36 Ca -0.05 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1sy9 h MET 36 Cb 0.46 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1sy9 h MET 36 CO 0.09 0.12 0.48 -0.09 1.06 0.00 0.00 176.91 178.56 1sy9 h ARG 37 N 0.18 1.21 0.00 1.72 1.12 -1.00 -0.82 114.38 116.79 1sy9 h ARG 37 Ca 0.05 -0.14 -0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1sy9 h ARG 37 Cb -0.01 -0.24 -0.00 0.00 -0.01 0.00 0.00 29.97 29.71 1sy9 h ARG 37 CO -0.01 0.88 -0.01 0.66 -3.11 0.00 0.00 179.97 178.38 1sy9 h SER 38 N 1.21 0.00 0.97 -3.80 4.64 -0.74 -2.56 113.55 113.27 1sy9 h SER 38 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1sy9 h SER 38 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1sy9 h SER 38 CO -0.05 0.01 -0.73 -0.07 -0.87 0.00 0.00 176.83 175.12 1sy9 h LEU 39 N 0.00 0.00 0.00 5.97 3.38 -0.86 -3.48 115.31 120.33 1sy9 h LEU 39 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1sy9 h LEU 39 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1sy9 h LEU 39 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1sy9 n GLY 40 N 1.27 -1.23 3.72 0.83 0.00 -0.63 -5.05 105.19 104.11 1sy9 n GLY 40 Ca 0.02 0.49 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 1.66 -0.18 1.61 -2.07 -1.05 -4.88 119.66 114.75 1sy9 s GLN 41 Ca 0.00 -1.08 -0.07 0.00 -1.82 0.00 0.00 55.36 52.40 1sy9 s GLN 41 Cb 0.00 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.43 1sy9 s GLN 41 CO 0.00 -0.73 0.05 1.21 -1.32 0.00 0.00 175.29 174.50 1sy9 s ASN 42 N -2.95 5.47 0.00 12.60 2.47 -1.26 -2.62 114.94 128.65 1sy9 s ASN 42 Ca 0.15 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.47 1sy9 s ASN 42 Cb -0.03 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.83 1sy9 s ASN 42 CO 0.07 0.17 0.00 -0.81 -3.72 0.00 0.00 177.10 172.80 1sy9 n PRO 43 N 3.59 2.29 -4.09 0.43 -0.04 -1.26 -5.01 135.00 130.91 1sy9 n PRO 43 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 1sy9 n PRO 43 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.60 0.60 0.52 -4.23 -1.26 -4.99 115.64 106.89 1sy9 s THR 44 Ca 0.00 -1.24 0.28 0.00 -1.18 0.00 0.00 61.69 59.55 1sy9 s THR 44 Cb 0.00 -0.82 0.36 0.00 1.34 0.00 0.00 72.50 73.38 1sy9 s THR 44 CO 0.00 -0.46 1.84 -0.33 -0.54 0.00 0.00 174.62 175.14 1sy9 h GLU 45 N 4.22 0.00 0.45 3.99 5.08 -1.96 0.86 114.58 127.22 1sy9 h GLU 45 Ca -0.36 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1sy9 h GLU 45 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1sy9 h GLU 45 CO 0.45 0.00 -0.21 0.00 -1.00 0.00 0.00 179.01 178.24 1sy9 h ALA 46 N 1.35 -0.60 -0.40 3.43 0.00 -2.00 -2.44 119.26 118.60 1sy9 h ALA 46 Ca 0.19 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1sy9 h ALA 46 Cb 1.23 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1sy9 h ALA 46 CO -0.00 -0.56 -0.15 1.49 0.00 0.00 0.00 179.25 180.02 1sy9 h GLU 47 N -1.15 0.74 -0.58 0.00 4.81 -1.68 -2.38 114.58 114.33 1sy9 h GLU 47 Ca -0.06 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 58.96 1sy9 h GLU 47 Cb 0.47 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1sy9 h GLU 47 CO 0.10 0.85 0.39 -0.07 -0.73 0.00 0.00 179.01 179.55 1sy9 h LEU 48 N 0.66 0.52 -0.80 1.64 3.38 0.62 -1.42 115.31 119.91 1sy9 h LEU 48 Ca 0.11 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1sy9 h LEU 48 Cb 0.63 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1sy9 h LEU 48 CO 0.04 0.35 0.32 -0.61 0.09 0.00 0.00 178.44 178.63 1sy9 h GLN 49 N 0.60 1.20 -0.72 1.13 4.15 -0.91 -2.71 115.11 117.85 1sy9 h GLN 49 Ca 0.25 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 1sy9 h GLN 49 Cb 0.22 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1sy9 h GLN 49 CO -0.07 0.97 0.18 0.22 -1.93 0.00 0.00 178.83 178.20 1sy9 h ASP 50 N 1.17 1.09 -0.55 -0.69 1.82 -1.22 -1.89 116.42 116.15 1sy9 h ASP 50 Ca 0.27 -0.23 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1sy9 h ASP 50 Cb 0.22 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 1sy9 h ASP 50 CO -0.02 1.04 0.36 0.24 -1.61 0.00 0.00 179.24 179.25 1sy9 h MET 51 N 1.09 0.72 -0.50 0.28 2.86 -1.21 -2.34 114.93 115.83 1sy9 h MET 51 Ca 0.23 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1sy9 h MET 51 Cb 0.38 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1sy9 h MET 51 CO 0.00 0.48 -0.04 0.82 1.06 0.00 0.00 176.91 179.23 1sy9 h ILE 52 N 0.74 1.25 -1.00 -1.22 1.08 -1.30 -3.08 117.51 113.99 1sy9 h ILE 52 Ca 0.20 -1.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.58 1sy9 h ILE 52 Cb -0.08 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 1sy9 h ILE 52 CO -0.05 0.39 0.66 -1.13 -0.69 0.00 0.00 178.15 177.33 1sy9 h ASN 53 N 0.79 1.15 0.50 1.72 -0.73 -0.81 0.78 115.58 118.98 1sy9 h ASN 53 Ca 0.14 -0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.20 1sy9 h ASN 53 Cb 0.53 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1sy9 h ASN 53 CO 0.03 0.84 -0.38 -0.08 -0.37 0.00 0.00 177.43 177.46 1sy9 h GLU 54 N 1.36 0.00 -0.00 6.67 4.81 -1.41 -3.00 114.58 123.02 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 -0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1sy9 h GLU 54 CO -0.08 0.38 -0.97 0.28 -0.73 0.00 0.00 179.01 177.90 1sy9 n VAL 55 N -3.89 0.00 -2.09 0.32 0.31 -0.76 -4.85 118.33 107.37 1sy9 n VAL 55 Ca -0.01 -0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.97 1sy9 n VAL 55 Cb 0.44 0.96 -0.04 0.00 -0.91 0.00 0.00 33.84 34.30 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 -2.99 5.32 0.24 4.52 1.01 0.26 -4.79 116.67 120.23 1sy9 s ASP 56 Ca 0.08 -0.19 0.02 0.00 0.71 0.00 0.00 52.55 53.18 1sy9 s ASP 56 Cb 0.16 -2.54 0.26 0.00 1.01 0.00 0.00 42.92 41.81 1sy9 s ASP 56 CO 0.86 -2.46 1.59 0.00 0.21 0.00 0.00 175.17 175.36 1sy9 h ALA 57 N 13.02 0.88 0.00 5.23 0.00 -1.88 -3.20 119.26 133.31 1sy9 h ALA 57 Ca -0.10 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 1sy9 h ALA 57 Cb 1.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1sy9 h ALA 57 CO 1.23 0.67 -1.74 -0.40 0.00 0.00 0.00 179.25 179.01 1sy9 n ASP 58 N -3.96 0.40 0.00 0.00 5.75 -1.26 -4.99 116.55 112.49 1sy9 n ASP 58 Ca -0.02 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1sy9 n ASP 58 Cb 0.56 1.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.65 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 1.38 0.62 0.17 6.12 0.00 -1.21 -4.95 105.19 107.32 1sy9 n GLY 59 Ca -0.11 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.94 -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 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1sy9 h ASN 60 CO 0.00 0.42 0.00 0.61 0.07 0.00 0.00 177.43 178.53 1sy9 n GLY 61 N 0.67 0.93 3.33 9.14 0.00 -1.26 -5.10 105.19 112.90 1sy9 n GLY 61 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.60 -0.27 2.61 -4.23 -1.26 -4.83 115.64 106.25 1sy9 s THR 62 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1sy9 s THR 62 Cb 0.00 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1sy9 s THR 62 CO 0.00 0.00 0.15 -0.63 -0.54 0.00 0.00 174.62 173.60 1sy9 s ILE 63 N -3.72 5.01 0.39 2.99 1.01 -1.14 -4.72 121.20 121.02 1sy9 s ILE 63 Ca 0.38 0.07 0.08 0.00 0.00 0.00 0.00 60.65 61.17 1sy9 s ILE 63 Cb 0.08 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1sy9 s ILE 63 CO 0.14 0.28 0.46 -1.81 0.00 0.00 0.00 174.94 174.01 1sy9 s ASP 64 N 1.72 5.54 0.23 3.58 1.01 -1.26 -2.03 116.67 125.45 1sy9 s ASP 64 Ca 0.07 -0.45 -0.15 0.00 0.71 0.00 0.00 52.55 52.72 1sy9 s ASP 64 Cb -0.16 -0.82 0.26 0.00 1.01 0.00 0.00 42.92 43.21 1sy9 s ASP 64 CO 0.09 -0.60 1.58 -0.26 0.21 0.00 0.00 175.17 176.19 1sy9 h PHE 65 N 0.88 -0.76 -0.01 4.23 0.04 -1.99 0.06 116.94 119.38 1sy9 h PHE 65 Ca -0.42 0.08 -0.12 0.00 2.80 0.00 0.00 57.97 60.31 1sy9 h PHE 65 Cb 1.27 0.46 -0.02 0.00 2.20 0.00 0.00 35.95 39.86 1sy9 h PHE 65 CO 0.45 -0.38 -0.57 -1.00 -0.60 0.00 0.00 178.31 176.21 1sy9 h PRO 66 N -0.05 0.02 -0.28 1.51 0.13 -1.96 -2.96 132.00 128.41 1sy9 h PRO 66 Ca 0.34 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 65.27 1sy9 h PRO 66 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1sy9 h PRO 66 CO -0.84 0.58 -0.52 0.93 -0.23 0.00 0.00 178.00 177.92 1sy9 h GLU 67 N 0.02 0.85 -0.62 0.86 5.08 -1.39 -2.89 114.58 116.49 1sy9 h GLU 67 Ca -0.01 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 57.79 1sy9 h GLU 67 Cb 1.01 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1sy9 h GLU 67 CO 0.08 1.17 0.25 0.35 -1.00 0.00 0.00 179.01 179.85 1sy9 h PHE 68 N 0.62 0.94 -0.52 4.33 3.57 -1.05 -2.62 116.94 122.19 1sy9 h PHE 68 Ca 0.01 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1sy9 h PHE 68 Cb 1.13 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1sy9 h PHE 68 CO 0.08 0.74 0.02 -0.07 -2.23 0.00 0.00 178.31 176.85 1sy9 h LEU 69 N 0.86 0.88 -0.72 0.59 3.38 -1.54 -2.59 115.31 116.18 1sy9 h LEU 69 Ca 0.21 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1sy9 h LEU 69 Cb 0.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1sy9 h LEU 69 CO -0.02 0.96 0.26 0.71 0.09 0.00 0.00 178.44 180.45 1sy9 h THR 70 N 0.78 1.25 -0.49 0.22 1.35 -1.39 -2.69 112.91 111.94 1sy9 h THR 70 Ca 0.15 -0.82 -0.13 0.00 -0.55 0.00 0.00 66.41 65.06 1sy9 h THR 70 Cb 0.49 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.34 1sy9 h THR 70 CO 0.02 0.33 -0.20 -0.03 -0.25 0.00 0.00 175.52 175.39 1sy9 h MET 71 N 1.04 1.01 -0.61 4.72 1.85 -1.41 -2.69 114.93 118.84 1sy9 h MET 71 Ca 0.24 -0.43 -0.02 0.00 -0.61 0.00 0.00 59.70 58.88 1sy9 h MET 71 Cb 0.25 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.21 1sy9 h MET 71 CO -0.02 1.11 0.32 0.52 -0.40 0.00 0.00 176.91 178.44 1sy9 h MET 72 N 0.87 0.86 -0.02 0.39 2.07 -1.32 -2.06 114.93 115.72 1sy9 h MET 72 Ca 0.11 -0.11 -0.11 0.00 -2.07 0.00 0.00 59.70 57.53 1sy9 h MET 72 Cb 0.79 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 1sy9 h MET 72 CO 0.07 0.67 -0.49 0.00 1.07 0.00 0.00 176.91 178.22 1sy9 h ALA 73 N 1.15 1.15 -0.36 6.32 0.00 -1.46 -2.97 119.26 123.08 1sy9 h ALA 73 Ca 0.21 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1sy9 h ALA 73 Cb 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1sy9 h ALA 73 CO -0.03 0.62 -0.43 -0.09 0.00 0.00 0.00 179.25 179.32 1sy9 h ARG 74 N 0.04 0.93 0.36 0.00 9.65 -1.12 -2.79 114.38 121.45 1sy9 h ARG 74 Ca -0.00 -0.52 -0.02 0.00 -1.10 0.00 0.00 59.98 58.34 1sy9 h ARG 74 Cb 0.89 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 1sy9 h ARG 74 CO 0.07 1.17 -0.17 0.87 2.80 0.00 0.00 179.97 184.70 1sy9 h LYS 75 N 0.74 -0.47 -0.26 0.20 1.79 -1.30 -2.90 116.57 114.38 1sy9 h LYS 75 Ca 0.05 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1sy9 h LYS 75 Cb 1.03 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1sy9 h LYS 75 CO 0.10 -0.15 0.17 0.52 -1.08 0.00 0.00 179.45 179.02 1sy9 h MET 76 N -0.84 0.34 0.53 3.15 2.86 -1.63 -2.11 114.93 117.23 1sy9 h MET 76 Ca -0.05 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1sy9 h MET 76 Cb 0.53 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.12 1sy9 h MET 76 CO 0.08 0.22 -0.26 -0.22 1.06 0.00 0.00 176.91 177.80 1sy9 h LYS 77 N 0.35 -0.69 0.00 1.72 3.64 -1.48 -3.22 116.57 116.89 1sy9 h LYS 77 Ca 0.10 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1sy9 h LYS 77 Cb -0.03 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1sy9 h LYS 77 CO -0.02 -0.46 0.00 -3.47 -2.27 0.00 0.00 179.45 173.23 1sy9 n ASP 78 N -4.61 0.01 -0.01 4.20 -0.08 -1.10 -4.79 116.55 110.18 1sy9 n ASP 78 Ca -0.09 0.50 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1sy9 n ASP 78 Cb 0.28 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.24 1sy9 n ASP 78 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1sy9 n THR 79 N -1.51 0.00 -4.59 5.18 5.66 -0.80 -5.11 114.28 113.12 1sy9 n THR 79 Ca 0.04 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.82 1sy9 n THR 79 Cb 0.18 -0.95 -0.15 0.00 -1.55 0.00 0.00 70.33 67.87 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 -0.89 1.53 0.36 1.09 1.01 -1.26 -4.97 116.67 113.53 1sy9 s ASP 80 Ca 0.00 -0.24 0.06 0.00 0.71 0.00 0.00 52.55 53.08 1sy9 s ASP 80 Cb 0.00 -0.20 0.69 0.00 1.01 0.00 0.00 42.92 44.42 1sy9 s ASP 80 CO 0.00 0.15 1.91 -1.28 0.21 0.00 0.00 175.17 176.17 1sy9 h SER 81 N 5.88 0.43 -0.33 0.27 0.87 -1.98 -1.84 113.55 116.85 1sy9 h SER 81 Ca -0.33 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1sy9 h SER 81 Cb 1.17 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1sy9 h SER 81 CO 0.49 0.48 0.22 -0.33 -0.53 0.00 0.00 176.83 177.16 1sy9 h GLU 82 N 0.45 0.43 -0.42 2.24 5.08 -2.00 -1.65 114.58 118.71 1sy9 h GLU 82 Ca 0.10 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1sy9 h GLU 82 Cb 0.27 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1sy9 h GLU 82 CO 0.01 0.29 -0.34 0.93 -1.00 0.00 0.00 179.01 178.89 1sy9 h GLU 83 N 0.44 0.96 -0.50 2.33 5.08 -1.76 -2.72 114.58 118.42 1sy9 h GLU 83 Ca 0.12 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1sy9 h GLU 83 Cb -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1sy9 h GLU 83 CO -0.03 1.15 0.15 0.93 -1.00 0.00 0.00 179.01 180.21 1sy9 h GLU 84 N 0.80 0.74 -0.31 2.33 5.08 -1.19 -2.65 114.58 119.38 1sy9 h GLU 84 Ca 0.08 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1sy9 h GLU 84 Cb 0.93 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1sy9 h GLU 84 CO 0.09 0.65 -0.06 0.82 -1.00 0.00 0.00 179.01 179.51 1sy9 h ILE 85 N 0.73 1.28 -0.66 3.13 2.04 -1.29 -2.42 117.51 120.31 1sy9 h ILE 85 Ca 0.17 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1sy9 h ILE 85 Cb 0.23 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1sy9 h ILE 85 CO -0.01 0.35 0.43 0.03 0.00 0.00 0.00 178.15 178.95 1sy9 h ARG 86 N 0.37 0.83 -0.37 2.37 3.08 -1.18 -2.15 114.38 117.33 1sy9 h ARG 86 Ca 0.08 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 1sy9 h ARG 86 Cb 0.54 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1sy9 h ARG 86 CO 0.03 0.55 -0.41 0.93 -1.07 0.00 0.00 179.97 180.00 1sy9 h GLU 87 N 0.85 0.93 -0.20 0.04 5.08 -1.46 -2.69 114.58 117.14 1sy9 h GLU 87 Ca 0.25 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1sy9 h GLU 87 Cb -0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1sy9 h GLU 87 CO -0.08 1.16 0.02 0.00 -1.00 0.00 0.00 179.01 179.11 1sy9 h ALA 88 N 0.76 0.27 -0.59 3.43 0.00 -1.25 -2.54 119.26 119.34 1sy9 h ALA 88 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1sy9 h ALA 88 Cb 1.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1sy9 h ALA 88 CO 0.10 -0.05 0.26 0.35 0.00 0.00 0.00 179.25 179.91 1sy9 h PHE 89 N 0.12 0.88 -0.49 0.00 3.04 -1.46 -2.52 116.94 116.51 1sy9 h PHE 89 Ca 0.06 -0.06 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1sy9 h PHE 89 Cb 0.35 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 1sy9 h PHE 89 CO 0.03 0.69 0.33 -0.09 -2.02 0.00 0.00 178.31 177.25 1sy9 h ARG 90 N 0.81 0.64 0.01 1.11 2.43 -1.40 0.47 114.38 118.44 1sy9 h ARG 90 Ca 0.20 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1sy9 h ARG 90 Cb 0.17 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1sy9 h ARG 90 CO -0.02 0.43 -0.00 0.28 -1.51 0.00 0.00 179.97 179.14 1sy9 h VAL 91 N 0.66 1.38 -0.33 0.20 2.07 -1.05 -3.29 116.25 115.89 1sy9 h VAL 91 Ca 0.18 -1.16 -0.15 0.00 0.82 0.00 0.00 66.70 66.40 1sy9 h VAL 91 Cb -0.07 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1sy9 h VAL 91 CO -0.04 0.30 -0.36 -0.26 0.02 0.00 0.00 177.57 177.23 1sy9 h PHE 92 N -0.50 1.00 -0.60 1.57 0.04 -1.17 -3.34 116.94 113.94 1sy9 h PHE 92 Ca -0.00 -0.31 -0.70 0.00 2.80 0.00 0.00 57.97 59.76 1sy9 h PHE 92 Cb 0.50 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.36 1sy9 h PHE 92 CO 0.10 1.10 2.55 -3.47 -0.60 0.00 0.00 178.31 177.99 1sy9 n ASP 93 N -4.14 4.51 -0.11 2.17 2.03 0.16 -4.72 116.55 116.44 1sy9 n ASP 93 Ca -0.03 -2.90 -0.14 0.00 0.52 0.00 0.00 54.79 52.24 1sy9 n ASP 93 Cb 0.52 -1.69 -0.03 0.00 -0.72 0.00 0.00 41.12 39.21 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 6.77 0.94 0.00 -0.67 1.57 -1.73 -3.07 116.57 120.37 1sy9 h LYS 94 Ca 0.49 -0.51 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1sy9 h LYS 94 Cb 0.76 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1sy9 h LYS 94 CO 1.64 1.16 -0.50 0.38 -0.57 0.00 0.00 179.45 181.56 1sy9 h ASP 95 N 0.76 0.00 -0.69 0.86 2.03 -1.94 -3.47 116.42 113.97 1sy9 h ASP 95 Ca 0.05 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.22 1sy9 h ASP 95 Cb 1.01 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.49 1sy9 h ASP 95 CO 0.10 0.50 -0.15 0.61 -1.03 0.00 0.00 179.24 179.28 1sy9 n GLY 96 N 0.69 0.40 0.14 7.15 0.00 -1.16 -4.91 105.19 107.50 1sy9 n GLY 96 Ca 0.00 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 0.84 0.69 0.00 1.61 6.94 -1.26 -4.85 115.26 119.22 1sy9 n ASN 97 Ca -0.07 0.68 0.00 0.00 -0.02 0.00 0.00 54.58 55.17 1sy9 n ASN 97 Cb 0.43 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 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 -0.11 2.26 3.22 4.83 0.00 -1.26 -5.07 105.19 109.06 1sy9 n GLY 98 Ca 0.02 0.00 -0.09 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 -2.21 0.06 -0.18 1.61 1.13 -1.26 -3.41 117.35 113.09 1sy9 s TYR 99 Ca 0.00 -0.43 -0.21 0.00 -1.41 0.00 0.00 57.07 55.02 1sy9 s TYR 99 Cb 0.00 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.84 1sy9 s TYR 99 CO 0.00 -0.55 0.64 0.42 -2.51 0.00 0.00 175.55 173.55 1sy9 s ILE 100 N -3.59 5.02 0.80 -3.49 1.01 -1.09 -4.91 121.20 114.96 1sy9 s ILE 100 Ca 0.03 1.21 -0.10 0.00 0.00 0.00 0.00 60.65 61.79 1sy9 s ILE 100 Cb 0.03 -3.95 0.10 0.00 0.01 0.00 0.00 42.46 38.65 1sy9 s ILE 100 CO -0.10 0.13 1.14 -0.44 0.00 0.00 0.00 174.94 175.67 1sy9 s SER 101 N 1.14 4.29 0.10 3.58 0.01 -1.26 -4.07 113.70 117.49 1sy9 s SER 101 Ca 0.30 0.48 -0.19 0.00 1.31 0.00 0.00 55.95 57.84 1sy9 s SER 101 Cb -0.16 -0.92 -0.08 0.00 0.21 0.00 0.00 66.02 65.08 1sy9 s SER 101 CO 0.11 -1.98 1.66 0.00 0.41 0.00 0.00 173.24 173.44 1sy9 h ALA 102 N -0.99 0.28 -0.61 1.44 0.00 -1.97 -2.50 119.26 114.91 1sy9 h ALA 102 Ca -0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1sy9 h ALA 102 Cb 1.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1sy9 h ALA 102 CO 0.56 -0.14 0.32 0.00 0.00 0.00 0.00 179.25 179.99 1sy9 h ALA 103 N 0.95 1.41 -0.91 0.00 0.00 -2.00 -2.25 119.26 116.46 1sy9 h ALA 103 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1sy9 h ALA 103 Cb 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1sy9 h ALA 103 CO -0.01 0.48 0.52 0.93 0.00 0.00 0.00 179.25 181.17 1sy9 h GLU 104 N 0.86 1.26 -0.40 0.00 5.08 -1.82 -2.41 114.58 117.14 1sy9 h GLU 104 Ca 0.22 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1sy9 h GLU 104 Cb 0.05 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1sy9 h GLU 104 CO -0.03 0.91 0.09 1.25 -1.00 0.00 0.00 179.01 180.23 1sy9 h LEU 105 N 1.27 0.62 -1.18 1.33 6.46 -0.99 -3.11 115.31 119.70 1sy9 h LEU 105 Ca 0.32 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1sy9 h LEU 105 Cb -0.00 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 1sy9 h LEU 105 CO -0.06 0.70 0.38 0.03 -0.62 0.00 0.00 178.44 178.88 1sy9 h ARG 106 N 0.52 0.95 -0.15 1.25 3.08 -1.14 -2.56 114.38 116.32 1sy9 h ARG 106 Ca 0.13 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1sy9 h ARG 106 Cb 0.33 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1sy9 h ARG 106 CO 0.00 0.69 0.10 1.25 -1.07 0.00 0.00 179.97 180.94 1sy9 h HIS 107 N 0.96 0.19 -0.34 3.04 2.76 -1.37 -2.63 115.15 117.75 1sy9 h HIS 107 Ca 0.24 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.26 1sy9 h HIS 107 Cb 0.01 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1sy9 h HIS 107 CO 0.01 0.12 -0.42 0.28 -1.30 0.00 0.00 177.93 176.62 1sy9 h VAL 108 N 0.21 1.28 0.05 5.26 2.07 -1.60 -2.38 116.25 121.13 1sy9 h VAL 108 Ca 0.06 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1sy9 h VAL 108 Cb -0.02 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1sy9 h VAL 108 CO -0.01 0.53 -0.06 0.24 0.02 0.00 0.00 177.57 178.29 1sy9 h MET 109 N 0.70 -0.13 -0.53 1.57 2.07 -1.33 0.24 114.93 117.53 1sy9 h MET 109 Ca 0.05 0.01 -0.10 0.00 -2.07 0.00 0.00 59.70 57.59 1sy9 h MET 109 Cb 1.00 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.75 1sy9 h MET 109 CO 0.10 -0.08 -0.07 1.15 1.07 0.00 0.00 176.91 179.08 1sy9 h THR 110 N -0.13 1.27 -0.13 2.22 2.02 -1.54 -2.40 112.91 114.22 1sy9 h THR 110 Ca 0.01 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 1sy9 h THR 110 Cb 0.13 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1sy9 h THR 110 CO -0.03 0.43 0.02 0.78 0.37 0.00 0.00 175.52 177.09 1sy9 h ASN 111 N 0.85 0.16 0.48 4.18 2.35 -1.13 -1.02 115.58 121.45 1sy9 h ASN 111 Ca 0.14 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1sy9 h ASN 111 Cb 0.62 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1sy9 h ASN 111 CO 0.04 0.17 -0.44 -0.07 -1.65 0.00 0.00 177.43 175.49 1sy9 h LEU 112 N 0.18 0.00 0.00 1.61 3.38 -0.01 -3.47 115.31 116.99 1sy9 h LEU 112 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sy9 h LEU 112 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1sy9 h LEU 112 CO -0.00 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1sy9 n GLY 113 N -0.21 1.85 3.33 0.83 0.00 -0.39 -4.98 105.19 105.62 1sy9 n GLY 113 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.45 2.17 -0.33 1.61 2.02 -1.06 -5.05 118.70 117.61 1sy9 s GLU 114 Ca 0.00 -0.90 -0.12 0.00 0.02 0.00 0.00 54.97 53.97 1sy9 s GLU 114 Cb 0.00 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.13 1sy9 s GLU 114 CO 0.00 0.57 0.21 0.15 0.02 0.00 0.00 175.26 176.20 1sy9 s LYS 115 N -0.62 3.41 0.09 1.61 1.02 -1.26 -4.11 119.74 119.88 1sy9 s LYS 115 Ca 0.10 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.44 1sy9 s LYS 115 Cb -0.10 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 1sy9 s LYS 115 CO -0.01 -0.45 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.36 1sy9 s LEU 116 N 1.68 2.36 0.64 3.17 1.43 -1.26 -5.15 118.68 121.55 1sy9 s LEU 116 Ca 0.05 -0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 1sy9 s LEU 116 Cb -0.17 -0.33 0.01 0.00 0.03 0.00 0.00 46.19 45.73 1sy9 s LEU 116 CO 0.09 -0.22 0.98 -0.89 0.23 0.00 0.00 176.35 176.54 1sy9 s THR 117 N -2.09 3.52 0.50 5.49 2.01 -1.26 -4.93 115.64 118.88 1sy9 s THR 117 Ca 0.02 0.16 0.24 0.00 0.31 0.00 0.00 61.69 62.42 1sy9 s THR 117 Cb -0.05 -3.44 0.29 0.00 0.01 0.00 0.00 72.50 69.31 1sy9 s THR 117 CO 0.01 -0.50 2.14 0.44 -0.69 0.00 0.00 174.62 176.02 1sy9 h ASP 118 N -0.37 0.00 -0.02 3.53 3.32 -2.01 -0.85 116.42 120.02 1sy9 h ASP 118 Ca -0.45 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.47 1sy9 h ASP 118 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1sy9 h ASP 118 CO 0.62 0.07 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.50 1sy9 h GLU 119 N 0.00 0.53 -0.54 3.56 5.08 -2.00 -2.02 114.58 119.20 1sy9 h GLU 119 Ca -0.00 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1sy9 h GLU 119 Cb 0.16 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1sy9 h GLU 119 CO 0.01 0.83 0.04 0.93 -1.00 0.00 0.00 179.01 179.82 1sy9 h GLU 120 N 0.44 0.88 -0.35 2.33 5.08 -1.52 -2.53 114.58 118.92 1sy9 h GLU 120 Ca 0.04 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 1sy9 h GLU 120 Cb 0.87 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1sy9 h GLU 120 CO 0.07 0.85 -0.40 0.28 -1.00 0.00 0.00 179.01 178.81 1sy9 h VAL 121 N 0.83 1.28 -1.01 3.13 2.07 -1.21 -3.10 116.25 118.24 1sy9 h VAL 121 Ca 0.16 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.11 1sy9 h VAL 121 Cb 0.43 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1sy9 h VAL 121 CO 0.02 0.52 0.67 -0.78 0.02 0.00 0.00 177.57 178.01 1sy9 h ASP 122 N 0.70 1.16 -0.94 0.57 1.82 -1.07 -2.08 116.42 116.58 1sy9 h ASP 122 Ca 0.05 -0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1sy9 h ASP 122 Cb 0.98 -0.29 -0.05 0.00 0.68 0.00 0.00 39.33 40.66 1sy9 h ASP 122 CO 0.09 0.84 0.62 -0.08 -1.61 0.00 0.00 179.24 179.11 1sy9 h GLU 123 N 1.36 1.24 -0.82 0.28 4.81 -1.39 -1.35 114.58 118.72 1sy9 h GLU 123 Ca 0.37 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 1sy9 h GLU 123 Cb -0.16 -0.28 -0.06 0.00 0.63 0.00 0.00 28.75 28.89 1sy9 h GLU 123 CO -0.08 0.82 0.54 0.52 -0.73 0.00 0.00 179.01 180.07 1sy9 h MET 124 N 1.27 0.75 -0.56 1.92 2.86 -1.36 -0.75 114.93 119.06 1sy9 h MET 124 Ca 0.35 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.83 1sy9 h MET 124 Cb -0.14 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.33 1sy9 h MET 124 CO -0.08 0.50 -0.09 0.82 1.06 0.00 0.00 176.91 179.13 1sy9 h ILE 125 N 0.78 1.27 -0.85 -1.22 2.04 -1.19 -3.17 117.51 115.16 1sy9 h ILE 125 Ca 0.38 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1sy9 h ILE 125 Cb 0.43 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1sy9 h ILE 125 CO -0.15 0.45 0.57 0.03 0.00 0.00 0.00 178.15 179.04 1sy9 h ARG 126 N 0.94 1.12 -1.01 2.37 3.08 -0.73 0.64 114.38 120.79 1sy9 h ARG 126 Ca 0.15 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1sy9 h ARG 126 Cb 0.66 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1sy9 h ARG 126 CO 0.05 0.74 0.67 0.93 -1.07 0.00 0.00 179.97 181.29 1sy9 h GLU 127 N 1.16 1.32 0.00 0.04 5.08 -1.45 -2.96 114.58 117.78 1sy9 h GLU 127 Ca 0.31 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1sy9 h GLU 127 Cb -0.13 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 28.82 1sy9 h GLU 127 CO -0.07 0.88 -1.52 0.00 -1.00 0.00 0.00 179.01 177.30 1sy9 n ALA 128 N -2.38 3.38 -1.87 3.43 0.00 -1.08 -4.67 120.51 117.33 1sy9 n ALA 128 Ca 0.12 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 1sy9 n ALA 128 Cb 0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.04 3.92 -0.10 0.00 2.03 0.22 -4.69 116.55 115.89 1sy9 n ASP 129 Ca -0.01 -2.83 -0.10 0.00 0.52 0.00 0.00 54.79 52.36 1sy9 n ASP 129 Cb 0.49 -1.62 -0.03 0.00 -0.72 0.00 0.00 41.12 39.24 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 4.50 1.23 -0.79 5.18 2.04 -1.83 -3.12 117.51 124.71 1sy9 h ILE 130 Ca 0.51 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1sy9 h ILE 130 Cb 0.71 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1sy9 h ILE 130 CO 1.78 0.26 0.30 -2.24 0.00 0.00 0.00 178.15 178.25 1sy9 h ASP 131 N 0.31 1.10 0.00 1.72 2.03 -1.95 -3.47 116.42 116.17 1sy9 h ASP 131 Ca 0.09 -0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1sy9 h ASP 131 Cb 0.33 -0.29 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 1sy9 h ASP 131 CO 0.00 0.98 0.00 0.61 -1.03 0.00 0.00 179.24 179.81 1sy9 n GLY 132 N -0.86 1.28 0.00 7.15 0.00 -1.18 -4.99 105.19 106.59 1sy9 n GLY 132 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.11 0.00 1.61 5.75 -1.26 -4.90 116.55 117.86 1sy9 n ASP 133 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 1sy9 n ASP 133 Cb 0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 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 0.77 3.02 6.12 0.00 -1.26 -5.03 105.19 110.30 1sy9 n GLY 134 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.41 0.50 -0.28 1.61 -0.21 -1.26 -4.89 119.66 114.72 1sy9 s GLN 135 Ca 0.00 -0.48 -0.17 0.00 0.02 0.00 0.00 55.36 54.72 1sy9 s GLN 135 Cb 0.00 -0.39 -0.02 0.00 1.00 0.00 0.00 33.01 33.60 1sy9 s GLN 135 CO 0.00 0.09 0.49 0.08 -2.12 0.00 0.00 175.29 173.84 1sy9 s VAL 136 N -0.74 5.07 0.81 1.09 1.01 -1.26 -4.75 120.40 121.63 1sy9 s VAL 136 Ca -0.04 0.73 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 1sy9 s VAL 136 Cb -0.06 -3.84 0.17 0.00 0.00 0.00 0.00 36.38 32.65 1sy9 s VAL 136 CO 0.00 0.03 1.10 0.59 0.00 0.00 0.00 175.10 176.83 1sy9 n ASN 137 N 5.56 0.85 -0.12 3.32 3.02 -1.26 -2.68 115.26 123.94 1sy9 n ASN 137 Ca -0.05 -1.86 -0.13 0.00 -0.03 0.00 0.00 54.58 52.51 1sy9 n ASN 137 Cb 0.50 -0.77 -0.02 0.00 -0.61 0.00 0.00 39.78 38.87 1sy9 n ASN 137 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1sy9 h TYR 138 N -1.05 1.08 -0.50 3.10 5.03 -1.97 -2.18 116.97 120.48 1sy9 h TYR 138 Ca -0.36 -0.31 -0.02 0.00 2.58 0.00 0.00 58.73 60.62 1sy9 h TYR 138 Cb 1.18 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 39.21 1sy9 h TYR 138 CO 0.00 1.13 0.22 0.93 -1.32 0.00 0.00 178.16 179.12 1sy9 h GLU 139 N 0.72 0.73 -0.56 1.82 4.39 -1.94 -2.49 114.58 117.25 1sy9 h GLU 139 Ca 0.07 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1sy9 h GLU 139 Cb 0.92 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1sy9 h GLU 139 CO 0.09 0.63 0.00 0.93 -1.16 0.00 0.00 179.01 179.49 1sy9 h GLU 140 N 0.66 0.95 -0.59 2.33 5.08 -1.86 -2.60 114.58 118.54 1sy9 h GLU 140 Ca 0.17 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1sy9 h GLU 140 Cb 0.15 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1sy9 h GLU 140 CO -0.02 0.94 0.39 0.35 -1.00 0.00 0.00 179.01 179.68 1sy9 h PHE 141 N 0.88 0.75 -0.46 4.33 3.04 -1.13 -2.46 116.94 121.89 1sy9 h PHE 141 Ca 0.16 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.99 1sy9 h PHE 141 Cb 0.52 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 1sy9 h PHE 141 CO 0.03 0.47 -0.27 0.28 -2.02 0.00 0.00 178.31 176.81 1sy9 h VAL 142 N 0.81 1.27 -0.75 1.41 2.07 -1.32 -3.06 116.25 116.68 1sy9 h VAL 142 Ca 0.22 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1sy9 h VAL 142 Cb -0.09 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1sy9 h VAL 142 CO -0.05 0.49 0.48 1.56 0.02 0.00 0.00 177.57 180.08 1sy9 h GLN 143 N 0.84 0.99 -0.96 1.57 1.08 -1.24 -1.64 115.11 115.75 1sy9 h GLN 143 Ca 0.10 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1sy9 h GLN 143 Cb 0.85 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 28.02 1sy9 h GLN 143 CO 0.08 0.67 0.59 0.52 -0.95 0.00 0.00 178.83 179.74 1sy9 h MET 144 N 1.02 1.30 -0.37 1.46 2.86 -1.39 0.33 114.93 120.13 1sy9 h MET 144 Ca 0.27 -0.11 -0.17 0.00 -2.06 0.00 0.00 59.70 57.64 1sy9 h MET 144 Cb -0.10 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.28 1sy9 h MET 144 CO -0.06 0.90 -0.42 0.52 1.06 0.00 0.00 176.91 178.91 1sy9 h MET 145 N 1.32 0.93 -0.64 1.72 2.86 -1.36 -3.02 114.93 116.75 1sy9 h MET 145 Ca 0.35 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1sy9 h MET 145 Cb -0.07 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1sy9 h MET 145 CO -0.07 1.17 0.00 2.41 1.06 0.00 0.00 176.91 181.48 1sy9 n THR 146 N -4.05 2.20 -2.25 2.22 -1.04 -0.66 -4.97 114.28 105.74 1sy9 n THR 146 Ca -0.03 -1.15 -0.39 0.00 -2.04 0.00 0.00 64.05 60.44 1sy9 n THR 146 Cb 0.56 -0.24 -0.02 0.00 -1.82 0.00 0.00 70.33 68.82 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sy9 s ALA 147 N -2.36 3.24 -2.39 2.41 0.00 0.11 -5.00 121.76 117.77 1sy9 s ALA 147 Ca 0.46 1.05 0.29 0.00 0.00 0.00 0.00 51.96 53.75 1sy9 s ALA 147 Cb 0.34 -3.41 1.24 0.00 0.00 0.00 0.00 23.12 21.29 1sy9 s ALA 147 CO 0.15 -0.56 1.85 1.63 0.00 0.00 0.00 175.76 178.83