#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy9 n ASP 2 N 0.00 2.36 -0.34 0.00 8.00 -1.26 -4.86 116.55 120.45 1sy9 n ASP 2 Ca 0.00 -2.59 -0.04 0.00 0.71 0.00 0.00 54.79 52.87 1sy9 n ASP 2 Cb 0.00 -0.42 0.09 0.00 -0.02 0.00 0.00 41.12 40.77 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 2.15 1.26 -5.37 -1.24 4.20 -2.13 -3.44 115.11 110.54 1sy9 h GLN 3 Ca -0.01 -0.15 -0.66 0.00 0.06 0.00 0.00 58.65 57.89 1sy9 h GLN 3 Cb 1.41 -0.25 -0.11 0.00 0.30 0.00 0.00 27.48 28.84 1sy9 h GLN 3 CO 0.30 0.93 -0.47 -0.51 -0.67 0.00 0.00 178.83 178.41 1sy9 s LEU 4 N -9.91 2.40 -0.23 1.46 1.43 -1.26 -5.13 118.68 107.43 1sy9 s LEU 4 Ca -0.13 -1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 51.38 1sy9 s LEU 4 Cb 0.17 -0.84 0.10 0.00 0.03 0.00 0.00 46.19 45.64 1sy9 s LEU 4 CO 0.83 -0.91 0.20 0.42 0.23 0.00 0.00 176.35 177.12 1sy9 s THR 5 N -2.85 -0.26 -0.82 5.49 -4.23 -1.26 -5.00 115.64 106.72 1sy9 s THR 5 Ca 0.13 -0.32 0.24 0.00 -1.18 0.00 0.00 61.69 60.55 1sy9 s THR 5 Cb 0.01 -0.78 -0.06 0.00 1.34 0.00 0.00 72.50 73.00 1sy9 s THR 5 CO 0.07 -0.37 1.20 -0.62 -0.54 0.00 0.00 174.62 174.36 1sy9 n GLU 6 N 5.30 0.14 -0.09 3.99 1.02 -1.26 -4.07 120.64 125.66 1sy9 n GLU 6 Ca -0.05 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1sy9 n GLU 6 Cb 0.47 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1sy9 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sy9 h GLU 7 N 0.00 0.74 -0.50 3.49 5.08 -2.02 -3.10 114.58 118.27 1sy9 h GLU 7 Ca 0.00 -0.40 -0.13 0.00 -1.00 0.00 0.00 59.36 57.83 1sy9 h GLU 7 Cb 0.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1sy9 h GLU 7 CO 0.00 1.02 -0.19 1.96 -1.00 0.00 0.00 179.01 180.80 1sy9 h GLN 8 N 0.49 1.01 0.00 2.33 4.20 -2.01 -3.07 115.11 118.07 1sy9 h GLN 8 Ca 0.04 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 1sy9 h GLN 8 Cb 0.90 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1sy9 h GLN 8 CO 0.08 1.11 -0.03 0.82 -0.67 0.00 0.00 178.83 180.14 1sy9 h ILE 9 N 0.88 0.92 -0.66 2.54 2.04 -1.69 -2.05 117.51 119.49 1sy9 h ILE 9 Ca 0.12 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1sy9 h ILE 9 Cb 0.78 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1sy9 h ILE 9 CO 0.06 0.03 0.29 0.00 0.00 0.00 0.00 178.15 178.53 1sy9 h ALA 10 N 1.97 1.27 -0.97 1.87 0.00 -1.46 -2.39 119.26 119.56 1sy9 h ALA 10 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sy9 h ALA 10 Cb 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1sy9 h ALA 10 CO 0.00 0.55 0.64 0.93 0.00 0.00 0.00 179.25 181.38 1sy9 h GLU 11 N 0.94 1.28 0.00 0.00 5.08 -1.49 -1.02 114.58 119.36 1sy9 h GLU 11 Ca 0.23 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1sy9 h GLU 11 Cb 0.14 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1sy9 h GLU 11 CO -0.02 0.85 -0.02 0.74 -1.00 0.00 0.00 179.01 179.55 1sy9 h PHE 12 N 1.32 0.00 -0.15 4.33 0.04 -1.47 -2.31 116.94 118.70 1sy9 h PHE 12 Ca 0.35 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.06 1sy9 h PHE 12 Cb -0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 1sy9 h PHE 12 CO -0.00 0.02 -0.16 0.87 -0.60 0.00 0.00 178.31 178.44 1sy9 h LYS 13 N 0.00 0.36 0.00 1.51 1.79 -1.05 -1.79 116.57 117.39 1sy9 h LYS 13 Ca -0.00 -0.20 -0.08 0.00 -2.18 0.00 0.00 60.65 58.19 1sy9 h LYS 13 Cb 0.28 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1sy9 h LYS 13 CO 0.00 0.75 -0.39 0.93 -1.08 0.00 0.00 179.45 179.67 1sy9 h GLU 14 N -0.01 0.00 0.11 3.15 5.08 -1.49 -3.23 114.58 118.19 1sy9 h GLU 14 Ca 0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.12 1sy9 h GLU 14 Cb 0.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1sy9 h GLU 14 CO 0.04 0.39 -1.19 0.00 -1.00 0.00 0.00 179.01 177.25 1sy9 h ALA 15 N 1.61 0.14 -1.01 3.43 0.00 -1.41 -3.33 119.26 118.68 1sy9 h ALA 15 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 54.91 54.07 1sy9 h ALA 15 Cb 1.11 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1sy9 h ALA 15 CO 0.05 0.94 0.67 0.35 0.00 0.00 0.00 179.25 181.25 1sy9 h PHE 16 N 0.10 1.27 -0.86 0.00 3.04 -1.34 -2.24 116.94 116.92 1sy9 h PHE 16 Ca -0.13 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.83 1sy9 h PHE 16 Cb 1.90 -0.43 -0.04 0.00 2.56 0.00 0.00 35.95 39.94 1sy9 h PHE 16 CO 0.06 0.79 0.44 0.77 -2.02 0.00 0.00 178.31 178.36 1sy9 h SER 17 N 1.36 1.09 -1.00 0.41 0.02 -1.67 0.19 113.55 113.95 1sy9 h SER 17 Ca 0.37 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1sy9 h SER 17 Cb -0.14 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.07 1sy9 h SER 17 CO -0.08 0.90 0.66 0.25 -1.14 0.00 0.00 176.83 177.41 1sy9 h LEU 18 N 1.21 1.15 -0.06 5.07 5.85 -1.54 -2.43 115.31 124.56 1sy9 h LEU 18 Ca 0.30 -0.03 -0.25 0.00 0.84 0.00 0.00 57.88 58.74 1sy9 h LEU 18 Cb 0.07 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1sy9 h LEU 18 CO -0.04 0.83 -1.06 -0.26 -0.34 0.00 0.00 178.44 177.57 1sy9 h PHE 19 N 1.36 0.58 -2.92 1.25 0.04 -1.17 -3.40 116.94 112.67 1sy9 h PHE 19 Ca 0.37 -0.35 -0.71 0.00 2.80 0.00 0.00 57.97 60.08 1sy9 h PHE 19 Cb -0.15 -0.05 -0.20 0.00 2.20 0.00 0.00 35.95 37.75 1sy9 h PHE 19 CO -0.00 1.21 0.23 0.34 -0.60 0.00 0.00 178.31 179.48 1sy9 s ASP 20 N -7.12 6.30 0.39 2.17 -1.08 0.61 -4.77 116.67 113.17 1sy9 s ASP 20 Ca -0.05 -1.62 0.05 0.00 -0.52 0.00 0.00 52.55 50.41 1sy9 s ASP 20 Cb 0.08 -2.31 0.79 0.00 -1.46 0.00 0.00 42.92 40.01 1sy9 s ASP 20 CO 0.87 -1.07 2.04 0.11 0.52 0.00 0.00 175.17 177.65 1sy9 h LYS 21 N 9.02 0.64 0.00 4.34 1.79 -1.79 -2.12 116.57 128.45 1sy9 h LYS 21 Ca -0.20 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1sy9 h LYS 21 Cb 1.07 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1sy9 h LYS 21 CO 1.07 0.42 -0.01 -0.25 -1.08 0.00 0.00 179.45 179.61 1sy9 n ASP 22 N -4.46 0.21 -2.31 0.86 8.00 -1.26 -4.89 116.55 112.69 1sy9 n ASP 22 Ca 0.04 0.51 -0.16 0.00 0.71 0.00 0.00 54.79 55.89 1sy9 n ASP 22 Cb 0.05 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.57 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 1.45 -0.25 0.20 0.44 0.00 -0.80 -4.82 105.19 101.42 1sy9 n GLY 23 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.78 0.96 0.00 1.61 5.75 -1.26 -4.94 116.55 116.90 1sy9 n ASP 24 Ca -0.19 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 1sy9 n ASP 24 Cb 0.63 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 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 1.38 0.53 3.07 6.12 0.00 -1.26 -5.07 105.19 109.96 1sy9 n GLY 25 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.06 0.03 -0.16 2.61 -4.23 -1.26 -4.04 115.64 106.52 1sy9 s THR 26 Ca 0.00 -0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.25 1sy9 s THR 26 Cb 0.00 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 1sy9 s THR 26 CO 0.00 -0.11 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.34 1sy9 s ILE 27 N -0.36 4.23 -0.04 2.99 1.01 -1.21 -4.92 121.20 122.91 1sy9 s ILE 27 Ca -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 1sy9 s ILE 27 Cb -0.03 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1sy9 s ILE 27 CO 0.01 0.48 0.03 0.42 0.00 0.00 0.00 174.94 175.88 1sy9 s THR 28 N 0.34 4.44 0.56 2.92 -4.23 -1.26 -4.05 115.64 114.36 1sy9 s THR 28 Ca -0.01 -0.39 0.42 0.00 -1.18 0.00 0.00 61.69 60.53 1sy9 s THR 28 Cb -0.13 -2.95 0.61 0.00 1.34 0.00 0.00 72.50 71.37 1sy9 s THR 28 CO 0.02 0.46 1.62 0.71 -0.54 0.00 0.00 174.62 176.89 1sy9 h THR 29 N 3.68 0.15 0.02 3.99 1.35 -1.93 0.28 112.91 120.44 1sy9 h THR 29 Ca -0.50 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1sy9 h THR 29 Cb 1.19 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1sy9 h THR 29 CO 0.58 0.00 -0.01 0.11 -0.25 0.00 0.00 175.52 175.95 1sy9 h LYS 30 N 0.00 -0.02 0.31 4.72 1.57 -2.00 -1.89 116.57 119.27 1sy9 h LYS 30 Ca 0.72 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.49 1sy9 h LYS 30 Cb 3.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 35.37 1sy9 h LYS 30 CO -0.01 0.24 -0.17 0.93 -0.57 0.00 0.00 179.45 179.87 1sy9 h GLU 31 N -0.28 -0.43 -0.05 3.15 5.08 -0.85 -2.42 114.58 118.79 1sy9 h GLU 31 Ca -0.00 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1sy9 h GLU 31 Cb 0.27 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1sy9 h GLU 31 CO 0.00 -0.29 0.03 1.25 -1.00 0.00 0.00 179.01 179.00 1sy9 h LEU 32 N -0.45 0.05 -1.75 1.33 5.85 -1.56 -2.05 115.31 116.74 1sy9 h LEU 32 Ca -0.04 -0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.94 1sy9 h LEU 32 Cb 0.36 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1sy9 h LEU 32 CO 0.05 0.04 0.67 1.23 -0.34 0.00 0.00 178.44 180.09 1sy9 h GLY 33 N 0.08 0.47 1.09 3.75 0.00 -0.81 0.28 103.07 107.93 1sy9 h GLY 33 Ca 0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1sy9 h GLY 33 CO -0.00 -0.03 0.09 -0.84 0.00 0.00 0.00 176.54 175.75 1sy9 h THR 34 N 0.18 1.26 -0.49 4.70 2.02 -1.44 -2.51 112.91 116.64 1sy9 h THR 34 Ca 0.49 -1.07 -0.13 0.00 0.77 0.00 0.00 66.41 66.47 1sy9 h THR 34 Cb 1.60 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1sy9 h THR 34 CO -0.11 0.40 -0.21 0.58 0.37 0.00 0.00 175.52 176.55 1sy9 h VAL 35 N 1.03 1.27 -1.01 3.16 2.07 -0.61 -3.08 116.25 119.09 1sy9 h VAL 35 Ca 0.20 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.35 1sy9 h VAL 35 Cb 0.47 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1sy9 h VAL 35 CO 0.02 0.48 0.67 0.24 0.02 0.00 0.00 177.57 178.99 1sy9 h MET 36 N 0.87 1.32 -0.31 1.57 2.86 -1.14 -1.76 114.93 118.34 1sy9 h MET 36 Ca 0.11 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1sy9 h MET 36 Cb 0.80 -0.30 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1sy9 h MET 36 CO 0.07 0.87 0.19 0.00 1.06 0.00 0.00 176.91 179.11 1sy9 h ARG 37 N 1.36 0.43 0.00 1.72 3.08 -1.37 -0.43 114.38 119.16 1sy9 h ARG 37 Ca 0.37 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1sy9 h ARG 37 Cb -0.16 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1sy9 h ARG 37 CO -0.08 0.32 -0.12 1.03 -1.07 0.00 0.00 179.97 180.05 1sy9 h SER 38 N 0.41 0.00 0.84 7.04 0.87 -1.39 -2.62 113.55 118.70 1sy9 h SER 38 Ca 0.11 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.44 1sy9 h SER 38 Cb -0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1sy9 h SER 38 CO -0.02 0.12 -1.21 0.25 -0.53 0.00 0.00 176.83 175.44 1sy9 h LEU 39 N 0.00 0.04 0.00 2.23 5.85 -0.72 -3.47 115.31 119.24 1sy9 h LEU 39 Ca -0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1sy9 h LEU 39 Cb 0.44 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1sy9 h LEU 39 CO 0.02 1.04 0.00 0.61 -0.34 0.00 0.00 178.44 179.76 1sy9 n GLY 40 N 1.42 0.98 3.55 3.75 0.00 -0.68 -5.02 105.19 109.19 1sy9 n GLY 40 Ca -0.05 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 0.61 -0.35 1.61 0.74 -0.26 -4.90 119.66 117.11 1sy9 s GLN 41 Ca 0.00 -0.23 -0.09 0.00 0.05 0.00 0.00 55.36 55.08 1sy9 s GLN 41 Cb 0.00 0.28 0.02 0.00 1.10 0.00 0.00 33.01 34.41 1sy9 s GLN 41 CO 0.00 -0.27 0.17 1.21 -0.55 0.00 0.00 175.29 175.85 1sy9 s ASN 42 N -2.38 5.57 0.00 6.67 3.04 -1.26 -3.44 114.94 123.14 1sy9 s ASN 42 Ca 0.07 -0.94 0.00 0.00 0.04 0.00 0.00 52.86 52.03 1sy9 s ASN 42 Cb -0.01 -1.97 0.00 0.00 -1.54 0.00 0.00 41.25 37.73 1sy9 s ASN 42 CO -0.07 -0.33 0.00 -0.81 -3.04 0.00 0.00 177.10 172.85 1sy9 n PRO 43 N 4.94 2.75 -4.16 0.43 -0.04 -1.26 -5.02 135.00 132.64 1sy9 n PRO 43 Ca -0.12 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.16 1sy9 n PRO 43 Cb 0.46 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.80 1sy9 n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1sy9 s THR 44 N 0.00 1.03 0.63 0.52 -4.23 -1.26 -5.01 115.64 107.32 1sy9 s THR 44 Ca 0.00 -1.27 0.27 0.00 -1.18 0.00 0.00 61.69 59.51 1sy9 s THR 44 Cb 0.00 -1.01 0.31 0.00 1.34 0.00 0.00 72.50 73.14 1sy9 s THR 44 CO 0.00 -0.24 1.80 -0.33 -0.54 0.00 0.00 174.62 175.30 1sy9 h GLU 45 N 4.33 0.00 0.28 3.99 5.08 -1.96 0.36 114.58 126.65 1sy9 h GLU 45 Ca -0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1sy9 h GLU 45 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1sy9 h GLU 45 CO 0.40 0.00 -0.13 0.00 -1.00 0.00 0.00 179.01 178.28 1sy9 h ALA 46 N 1.22 -0.37 -0.39 3.43 0.00 -2.00 -2.53 119.26 118.62 1sy9 h ALA 46 Ca 0.11 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1sy9 h ALA 46 Cb 1.10 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1sy9 h ALA 46 CO -0.00 -0.44 -0.19 1.49 0.00 0.00 0.00 179.25 180.11 1sy9 h GLU 47 N -0.90 0.75 -0.73 0.00 4.81 -1.49 -2.60 114.58 114.42 1sy9 h GLU 47 Ca -0.04 -0.28 0.07 0.00 -0.13 0.00 0.00 59.36 58.98 1sy9 h GLU 47 Cb 0.51 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 1sy9 h GLU 47 CO 0.06 0.88 0.48 -0.07 -0.73 0.00 0.00 179.01 179.63 1sy9 h LEU 48 N 0.66 0.65 -0.61 1.64 3.38 -0.42 -2.09 115.31 118.51 1sy9 h LEU 48 Ca 0.10 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1sy9 h LEU 48 Cb 0.68 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1sy9 h LEU 48 CO 0.05 0.42 -0.01 -0.61 0.09 0.00 0.00 178.44 178.38 1sy9 h GLN 49 N 0.74 1.08 -0.50 1.13 -0.00 -1.05 -3.01 115.11 113.50 1sy9 h GLN 49 Ca 0.32 -0.35 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 1sy9 h GLN 49 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.65 1sy9 h GLN 49 CO -0.11 1.06 0.09 0.22 0.00 0.00 0.00 178.83 180.09 1sy9 h ASP 50 N 0.99 0.72 -0.51 -0.69 1.82 -1.34 -2.16 116.42 115.25 1sy9 h ASP 50 Ca 0.17 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1sy9 h ASP 50 Cb 0.57 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 1sy9 h ASP 50 CO 0.03 0.74 0.34 0.24 -1.61 0.00 0.00 179.24 178.98 1sy9 h MET 51 N 0.74 0.67 -0.20 0.28 2.86 -1.38 -2.23 114.93 115.68 1sy9 h MET 51 Ca 0.16 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 1sy9 h MET 51 Cb 0.32 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1sy9 h MET 51 CO 0.00 0.45 -0.34 0.82 1.06 0.00 0.00 176.91 178.90 1sy9 h ILE 52 N 0.69 1.29 -0.75 -1.22 2.04 -1.47 -3.12 117.51 114.97 1sy9 h ILE 52 Ca 0.19 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.64 1sy9 h ILE 52 Cb -0.08 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1sy9 h ILE 52 CO -0.04 0.44 0.49 -1.13 0.00 0.00 0.00 178.15 177.91 1sy9 h ASN 53 N 0.35 0.86 0.56 1.72 -1.24 -0.79 0.89 115.58 117.93 1sy9 h ASN 53 Ca 0.04 -0.03 -0.07 0.00 0.71 0.00 0.00 56.30 56.95 1sy9 h ASN 53 Cb 0.77 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 1sy9 h ASN 53 CO 0.06 0.63 -0.35 -0.33 -1.29 0.00 0.00 177.43 176.15 1sy9 h GLU 54 N 1.02 0.00 -0.01 6.67 4.39 -1.43 -2.98 114.58 122.24 1sy9 h GLU 54 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1sy9 h GLU 54 Cb -0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1sy9 h GLU 54 CO -0.06 0.35 -0.76 0.28 -1.16 0.00 0.00 179.01 177.66 1sy9 n VAL 55 N -3.79 0.00 -2.19 3.13 0.31 -0.82 -4.88 118.33 110.11 1sy9 n VAL 55 Ca -0.01 -0.12 -0.39 0.00 -0.01 0.00 0.00 64.34 63.81 1sy9 n VAL 55 Cb 0.43 1.11 -0.03 0.00 -0.91 0.00 0.00 33.84 34.44 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 -2.77 5.52 0.21 4.52 1.01 0.30 -4.80 116.67 120.66 1sy9 s ASP 56 Ca 0.13 0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.53 1sy9 s ASP 56 Cb 0.17 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.72 1sy9 s ASP 56 CO 0.74 -2.23 1.50 0.00 0.21 0.00 0.00 175.17 175.39 1sy9 h ALA 57 N 13.56 0.73 -0.27 5.23 0.00 -1.88 -3.15 119.26 133.48 1sy9 h ALA 57 Ca -0.27 -0.59 -0.19 0.00 0.00 0.00 0.00 54.91 53.86 1sy9 h ALA 57 Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1sy9 h ALA 57 CO 1.24 0.77 -0.58 -0.44 0.00 0.00 0.00 179.25 180.24 1sy9 h ASP 58 N 0.19 0.98 0.00 0.00 3.32 -1.89 -3.47 116.42 115.54 1sy9 h ASP 58 Ca -0.02 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1sy9 h ASP 58 Cb 1.23 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1sy9 h ASP 58 CO 0.11 1.34 0.00 0.61 -1.72 0.00 0.00 179.24 179.58 1sy9 n GLY 59 N 0.42 0.76 0.22 2.75 0.00 -1.19 -4.94 105.19 103.22 1sy9 n GLY 59 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 0.95 0.00 1.61 -1.07 -1.91 -3.48 115.58 111.68 1sy9 h ASN 60 Ca 0.00 -0.64 0.00 0.00 0.07 0.00 0.00 56.30 55.73 1sy9 h ASN 60 Cb 0.00 -0.28 0.00 0.00 -2.07 0.00 0.00 38.32 35.97 1sy9 h ASN 60 CO 0.00 1.44 0.00 0.61 0.07 0.00 0.00 177.43 179.55 1sy9 n GLY 61 N 0.74 0.24 3.15 9.14 0.00 -1.26 -5.14 105.19 112.06 1sy9 n GLY 61 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.02 0.58 -0.26 2.61 -4.23 -1.26 -4.90 115.64 107.16 1sy9 s THR 62 Ca 0.00 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 1sy9 s THR 62 Cb 0.00 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 1sy9 s THR 62 CO 0.00 -0.90 0.09 -0.63 -0.54 0.00 0.00 174.62 172.64 1sy9 s ILE 63 N -3.69 4.51 0.52 2.99 1.01 -1.26 -4.81 121.20 120.46 1sy9 s ILE 63 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.70 1sy9 s ILE 63 Cb 0.06 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.45 1sy9 s ILE 63 CO -0.06 0.32 0.71 -1.81 0.00 0.00 0.00 174.94 174.11 1sy9 s ASP 64 N 1.64 5.34 0.21 3.58 1.01 -1.26 -3.31 116.67 123.88 1sy9 s ASP 64 Ca 0.06 -0.25 -0.12 0.00 0.71 0.00 0.00 52.55 52.95 1sy9 s ASP 64 Cb -0.15 -0.64 0.27 0.00 1.01 0.00 0.00 42.92 43.40 1sy9 s ASP 64 CO 0.05 -1.06 1.66 0.15 0.21 0.00 0.00 175.17 176.17 1sy9 h PHE 65 N 0.25 -0.10 -0.59 4.23 3.57 -2.00 -0.60 116.94 121.71 1sy9 h PHE 65 Ca -0.40 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 1sy9 h PHE 65 Cb 1.29 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 1sy9 h PHE 65 CO 0.35 -0.18 0.14 -1.00 -2.23 0.00 0.00 178.31 175.39 1sy9 h PRO 66 N 0.09 0.91 -0.32 6.41 0.13 -1.95 -2.57 132.00 134.69 1sy9 h PRO 66 Ca 0.31 -0.19 -0.15 0.00 -0.87 0.00 0.00 66.00 65.10 1sy9 h PRO 66 Cb 0.49 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1sy9 h PRO 66 CO -0.53 0.81 -0.39 0.93 -0.23 0.00 0.00 178.00 178.59 1sy9 h GLU 67 N 0.87 0.77 -0.75 0.86 5.08 -1.69 -3.06 114.58 116.66 1sy9 h GLU 67 Ca 0.19 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1sy9 h GLU 67 Cb 0.31 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1sy9 h GLU 67 CO -0.00 1.03 0.47 0.35 -1.00 0.00 0.00 179.01 179.86 1sy9 h PHE 68 N 0.63 0.98 -0.77 4.33 3.04 -0.86 -2.82 116.94 121.47 1sy9 h PHE 68 Ca 0.05 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1sy9 h PHE 68 Cb 0.95 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 39.10 1sy9 h PHE 68 CO 0.05 0.64 0.31 -0.07 -2.02 0.00 0.00 178.31 177.22 1sy9 h LEU 69 N 1.03 1.06 -0.72 0.59 3.38 -1.39 -2.55 115.31 116.70 1sy9 h LEU 69 Ca 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1sy9 h LEU 69 Cb -0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1sy9 h LEU 69 CO -0.05 0.94 0.39 0.71 0.09 0.00 0.00 178.44 180.52 1sy9 h THR 70 N 1.11 1.22 -0.39 0.22 1.35 -1.41 -2.68 112.91 112.34 1sy9 h THR 70 Ca 0.26 -0.56 -0.16 0.00 -0.55 0.00 0.00 66.41 65.39 1sy9 h THR 70 Cb 0.21 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 1sy9 h THR 70 CO -0.02 0.25 -0.39 -0.03 -0.25 0.00 0.00 175.52 175.08 1sy9 h MET 71 N 1.00 0.94 0.25 4.72 1.85 -1.39 -2.32 114.93 119.98 1sy9 h MET 71 Ca 0.25 -0.50 -0.01 0.00 -0.61 0.00 0.00 59.70 58.83 1sy9 h MET 71 Cb 0.04 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.10 1sy9 h MET 71 CO -0.04 1.16 -0.12 0.52 -0.40 0.00 0.00 176.91 178.03 1sy9 h MET 72 N 0.77 -0.32 -0.08 0.39 2.07 -1.31 -0.21 114.93 116.24 1sy9 h MET 72 Ca 0.06 0.02 -0.09 0.00 -2.07 0.00 0.00 59.70 57.62 1sy9 h MET 72 Cb 0.99 0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.78 1sy9 h MET 72 CO 0.10 -0.11 -0.37 0.00 1.07 0.00 0.00 176.91 177.59 1sy9 h ALA 73 N 0.26 1.24 -0.17 6.32 0.00 -1.57 -2.61 119.26 122.73 1sy9 h ALA 73 Ca -0.03 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1sy9 h ALA 73 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1sy9 h ALA 73 CO 0.06 0.53 -0.39 -0.09 0.00 0.00 0.00 179.25 179.36 1sy9 h ARG 74 N 0.14 0.55 -0.29 0.00 9.65 -1.28 -3.27 114.38 119.88 1sy9 h ARG 74 Ca 0.01 -0.38 -0.13 0.00 -1.10 0.00 0.00 59.98 58.39 1sy9 h ARG 74 Cb 0.72 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1sy9 h ARG 74 CO 0.05 0.99 -0.32 0.87 2.80 0.00 0.00 179.97 184.36 1sy9 h LYS 75 N 0.20 0.73 -0.36 0.20 1.79 -0.96 -2.92 116.57 115.24 1sy9 h LYS 75 Ca -0.00 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1sy9 h LYS 75 Cb 0.99 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 1sy9 h LYS 75 CO 0.08 1.02 0.24 0.52 -1.08 0.00 0.00 179.45 180.23 1sy9 h MET 76 N 0.48 0.47 -0.29 3.15 2.86 -1.57 -0.41 114.93 119.63 1sy9 h MET 76 Ca 0.04 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 1sy9 h MET 76 Cb 0.90 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1sy9 h MET 76 CO 0.08 0.31 -0.42 1.57 1.06 0.00 0.00 176.91 179.51 1sy9 h LYS 77 N 0.49 0.70 0.00 1.72 2.10 -1.65 -2.84 116.57 117.09 1sy9 h LYS 77 Ca 0.13 -0.37 -0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1sy9 h LYS 77 Cb -0.05 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1sy9 h LYS 77 CO -0.03 0.99 -0.00 -0.44 -2.00 0.00 0.00 179.45 177.97 1sy9 h ASP 78 N 0.57 0.00 -1.57 7.07 3.32 -1.30 -3.45 116.42 121.06 1sy9 h ASP 78 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1sy9 h ASP 78 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1sy9 h ASP 78 CO 0.09 0.00 0.00 1.07 -1.72 0.00 0.00 179.24 178.68 1sy9 n THR 79 N -3.09 0.00 -5.26 0.35 5.66 -0.18 -5.08 114.28 106.67 1sy9 n THR 79 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.70 1sy9 n THR 79 Cb 0.30 -0.43 -0.16 0.00 -1.55 0.00 0.00 70.33 68.49 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 0.05 2.98 0.45 1.09 1.01 -1.26 -4.95 116.67 116.05 1sy9 s ASP 80 Ca 0.00 -0.47 0.19 0.00 0.71 0.00 0.00 52.55 52.98 1sy9 s ASP 80 Cb 0.00 -0.50 1.07 0.00 1.01 0.00 0.00 42.92 44.50 1sy9 s ASP 80 CO 0.00 0.29 1.96 -1.28 0.21 0.00 0.00 175.17 176.35 1sy9 h SER 81 N 5.70 0.00 -0.10 0.27 0.87 -1.99 -2.28 113.55 116.02 1sy9 h SER 81 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1sy9 h SER 81 Cb 1.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1sy9 h SER 81 CO 0.47 0.22 0.07 -0.33 -0.53 0.00 0.00 176.83 176.73 1sy9 h GLU 82 N 0.00 0.13 -0.40 2.24 5.08 -2.00 -1.96 114.58 117.67 1sy9 h GLU 82 Ca -0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1sy9 h GLU 82 Cb 0.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1sy9 h GLU 82 CO 0.03 0.09 -0.37 0.93 -1.00 0.00 0.00 179.01 178.69 1sy9 h GLU 83 N 0.14 0.95 -0.50 2.33 5.08 -1.84 -2.64 114.58 118.10 1sy9 h GLU 83 Ca 0.04 -0.49 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 1sy9 h GLU 83 Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1sy9 h GLU 83 CO -0.01 1.15 -0.09 0.93 -1.00 0.00 0.00 179.01 179.99 1sy9 h GLU 84 N 0.78 0.92 0.08 2.33 5.08 -1.45 -2.92 114.58 119.40 1sy9 h GLU 84 Ca 0.07 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1sy9 h GLU 84 Cb 0.97 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1sy9 h GLU 84 CO 0.09 0.97 -0.04 0.82 -1.00 0.00 0.00 179.01 179.85 1sy9 h ILE 85 N 0.83 1.06 -0.91 3.13 2.04 -1.38 -2.03 117.51 120.25 1sy9 h ILE 85 Ca 0.14 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.58 1sy9 h ILE 85 Cb 0.62 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 1sy9 h ILE 85 CO 0.04 0.13 0.59 0.03 0.00 0.00 0.00 178.15 178.93 1sy9 h ARG 86 N -0.33 0.90 -0.39 2.37 3.08 -1.46 -1.83 114.38 116.72 1sy9 h ARG 86 Ca -0.01 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.82 1sy9 h ARG 86 Cb 0.29 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1sy9 h ARG 86 CO 0.02 0.60 -0.39 0.93 -1.07 0.00 0.00 179.97 180.06 1sy9 h GLU 87 N 0.93 0.94 -0.10 0.04 5.08 -1.40 -2.63 114.58 117.43 1sy9 h GLU 87 Ca 0.42 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1sy9 h GLU 87 Cb 0.38 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1sy9 h GLU 87 CO -0.18 1.15 0.02 0.00 -1.00 0.00 0.00 179.01 179.00 1sy9 h ALA 88 N 0.78 0.13 -0.70 3.43 0.00 -0.60 -2.27 119.26 120.04 1sy9 h ALA 88 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sy9 h ALA 88 Cb 0.98 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1sy9 h ALA 88 CO 0.10 -0.24 0.45 0.35 0.00 0.00 0.00 179.25 179.91 1sy9 h PHE 89 N -0.05 0.89 -0.65 0.00 3.04 -1.44 -2.23 116.94 116.49 1sy9 h PHE 89 Ca 0.03 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1sy9 h PHE 89 Cb 0.25 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 1sy9 h PHE 89 CO 0.01 0.57 0.43 -0.09 -2.02 0.00 0.00 178.31 177.21 1sy9 h ARG 90 N 0.95 0.86 0.03 1.11 2.43 -1.34 0.53 114.38 118.93 1sy9 h ARG 90 Ca 0.25 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1sy9 h ARG 90 Cb -0.09 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1sy9 h ARG 90 CO -0.05 0.57 -0.01 0.28 -1.51 0.00 0.00 179.97 179.24 1sy9 h VAL 91 N 0.88 1.31 -0.70 0.20 2.07 -0.83 -3.25 116.25 115.93 1sy9 h VAL 91 Ca 0.24 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1sy9 h VAL 91 Cb -0.10 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1sy9 h VAL 91 CO -0.05 0.27 0.15 -0.26 0.02 0.00 0.00 177.57 177.70 1sy9 h PHE 92 N -0.51 1.20 0.00 1.57 0.04 -1.25 -3.28 116.94 114.71 1sy9 h PHE 92 Ca -0.00 -0.15 -0.66 0.00 2.80 0.00 0.00 57.97 59.95 1sy9 h PHE 92 Cb 0.48 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1sy9 h PHE 92 CO 0.09 0.98 3.33 -3.47 -0.60 0.00 0.00 178.31 178.64 1sy9 n ASP 93 N -4.22 5.87 -0.12 2.17 -0.08 0.16 -4.68 116.55 115.64 1sy9 n ASP 93 Ca 0.05 -2.67 -0.08 0.00 -1.51 0.00 0.00 54.79 50.57 1sy9 n ASP 93 Cb 0.28 -1.53 -0.00 0.00 2.34 0.00 0.00 41.12 42.21 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1sy9 h LYS 94 N 5.77 0.53 0.00 -0.67 1.57 -1.74 -1.67 116.57 120.35 1sy9 h LYS 94 Ca 0.68 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 1sy9 h LYS 94 Cb 0.45 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1sy9 h LYS 94 CO 1.82 0.38 0.00 0.38 -0.57 0.00 0.00 179.45 181.46 1sy9 h ASP 95 N 0.52 0.00 -5.65 0.86 2.03 -1.94 -3.47 116.42 108.77 1sy9 h ASP 95 Ca 0.14 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.14 1sy9 h ASP 95 Cb -0.01 0.00 0.17 0.00 -0.83 0.00 0.00 39.33 38.65 1sy9 h ASP 95 CO -0.03 0.00 -0.86 0.61 -1.03 0.00 0.00 179.24 177.94 1sy9 n GLY 96 N 0.01 -0.94 0.48 7.15 0.00 -0.63 -4.92 105.19 106.33 1sy9 n GLY 96 Ca 0.01 0.45 0.08 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.12 1.92 0.00 1.61 6.94 -1.26 -4.96 115.26 116.39 1sy9 n ASN 97 Ca -0.13 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.97 1sy9 n ASN 97 Cb 0.63 0.32 0.00 0.00 -2.36 0.00 0.00 39.78 38.37 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 1.12 2.10 3.00 4.83 0.00 -1.26 -5.04 105.19 109.93 1sy9 n GLY 98 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1sy9 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sy9 s TYR 99 N -2.56 0.57 -0.18 1.61 1.51 -1.26 -4.27 117.35 112.77 1sy9 s TYR 99 Ca 0.00 -0.21 -0.21 0.00 -1.01 0.00 0.00 57.07 55.64 1sy9 s TYR 99 Cb 0.00 -0.36 -0.03 0.00 -0.11 0.00 0.00 41.96 41.47 1sy9 s TYR 99 CO 0.00 -0.03 0.63 0.42 -1.11 0.00 0.00 175.55 175.46 1sy9 s ILE 100 N -0.49 5.03 0.71 2.71 1.01 -1.23 -4.94 121.20 124.00 1sy9 s ILE 100 Ca -0.01 1.21 -0.07 0.00 0.00 0.00 0.00 60.65 61.77 1sy9 s ILE 100 Cb -0.04 -3.95 0.06 0.00 0.01 0.00 0.00 42.46 38.53 1sy9 s ILE 100 CO 0.00 0.14 1.03 -0.44 0.00 0.00 0.00 174.94 175.67 1sy9 s SER 101 N 1.12 4.85 0.21 3.58 0.01 -1.26 -4.05 113.70 118.16 1sy9 s SER 101 Ca 0.30 0.55 -0.08 0.00 1.31 0.00 0.00 55.95 58.02 1sy9 s SER 101 Cb -0.16 -1.21 0.16 0.00 0.21 0.00 0.00 66.02 65.02 1sy9 s SER 101 CO 0.11 -1.59 1.79 0.00 0.41 0.00 0.00 173.24 173.96 1sy9 h ALA 102 N -0.63 1.02 -0.21 1.44 0.00 -1.97 -2.22 119.26 116.69 1sy9 h ALA 102 Ca -0.45 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1sy9 h ALA 102 Cb 1.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1sy9 h ALA 102 CO 0.61 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 180.29 1sy9 h ALA 103 N 1.18 1.31 -0.61 0.00 0.00 -2.00 -2.80 119.26 116.34 1sy9 h ALA 103 Ca 0.27 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1sy9 h ALA 103 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1sy9 h ALA 103 CO -0.03 0.46 -0.02 0.93 0.00 0.00 0.00 179.25 180.60 1sy9 h GLU 104 N 0.34 1.08 -0.11 0.00 5.08 -1.72 -2.06 114.58 117.19 1sy9 h GLU 104 Ca 0.06 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1sy9 h GLU 104 Cb 0.51 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1sy9 h GLU 104 CO 0.03 1.06 0.06 1.25 -1.00 0.00 0.00 179.01 180.41 1sy9 h LEU 105 N 0.98 0.13 -1.87 1.33 6.46 -1.23 -2.42 115.31 118.69 1sy9 h LEU 105 Ca 0.17 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1sy9 h LEU 105 Cb 0.58 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1sy9 h LEU 105 CO 0.03 0.15 -0.11 -0.09 -0.62 0.00 0.00 178.44 177.80 1sy9 h ARG 106 N 0.10 0.00 -1.00 1.25 2.43 -1.42 -2.59 114.38 113.14 1sy9 h ARG 106 Ca 0.04 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1sy9 h ARG 106 Cb 0.05 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1sy9 h ARG 106 CO -0.01 0.11 0.66 1.25 -1.51 0.00 0.00 179.97 180.48 1sy9 h HIS 107 N 0.00 1.27 0.03 2.20 2.76 -0.85 -2.24 115.15 118.32 1sy9 h HIS 107 Ca -0.00 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 57.98 1sy9 h HIS 107 Cb 0.22 -0.43 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1sy9 h HIS 107 CO 0.00 0.80 -0.97 0.28 -1.30 0.00 0.00 177.93 176.75 1sy9 h VAL 108 N 1.36 1.51 -0.01 5.26 2.07 -1.48 -2.51 116.25 122.45 1sy9 h VAL 108 Ca 0.37 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1sy9 h VAL 108 Cb -0.15 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1sy9 h VAL 108 CO -0.08 0.81 0.01 0.24 0.02 0.00 0.00 177.57 178.57 1sy9 h MET 109 N 0.10 0.02 -0.44 1.57 2.07 -1.20 0.18 114.93 117.23 1sy9 h MET 109 Ca -0.06 -0.00 -0.12 0.00 -2.07 0.00 0.00 59.70 57.45 1sy9 h MET 109 Cb 1.63 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.34 1sy9 h MET 109 CO 0.15 0.01 -0.20 1.79 1.07 0.00 0.00 176.91 179.73 1sy9 h THR 110 N 0.02 1.27 -0.19 2.22 1.35 -1.50 -2.54 112.91 113.53 1sy9 h THR 110 Ca 0.00 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1sy9 h THR 110 Cb -0.00 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1sy9 h THR 110 CO -0.00 0.46 0.12 0.78 -0.25 0.00 0.00 175.52 176.63 1sy9 h ASN 111 N 0.76 0.22 0.04 5.36 2.35 -1.16 -1.14 115.58 122.01 1sy9 h ASN 111 Ca 0.10 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 1sy9 h ASN 111 Cb 0.77 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1sy9 h ASN 111 CO 0.06 0.16 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.49 1sy9 h LEU 112 N 0.26 0.53 0.00 1.61 3.38 -0.24 -3.47 115.31 117.37 1sy9 h LEU 112 Ca 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1sy9 h LEU 112 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1sy9 h LEU 112 CO -0.01 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1sy9 n GLY 113 N 0.03 1.79 3.33 0.83 0.00 -0.43 -4.86 105.19 105.88 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 -0.15 1.99 -0.25 1.61 2.02 -1.02 -5.04 118.70 117.85 1sy9 s GLU 114 Ca 0.00 -1.00 -0.11 0.00 0.02 0.00 0.00 54.97 53.88 1sy9 s GLU 114 Cb 0.00 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 32.16 1sy9 s GLU 114 CO 0.00 0.54 0.17 0.15 0.02 0.00 0.00 175.26 176.14 1sy9 s LYS 115 N -0.89 4.03 0.04 1.61 1.02 -1.26 -4.01 119.74 120.28 1sy9 s LYS 115 Ca 0.11 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1sy9 s LYS 115 Cb -0.10 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 1sy9 s LYS 115 CO 0.00 -0.03 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.86 1sy9 s LEU 116 N 1.31 2.36 0.66 3.17 1.02 -1.26 -5.13 118.68 120.80 1sy9 s LEU 116 Ca 0.07 -0.74 -0.04 0.00 0.02 0.00 0.00 54.13 53.45 1sy9 s LEU 116 Cb -0.14 0.06 0.06 0.00 0.02 0.00 0.00 46.19 46.18 1sy9 s LEU 116 CO 0.07 -0.40 0.95 -0.89 0.02 0.00 0.00 176.35 176.09 1sy9 s THR 117 N -2.52 2.38 0.46 5.49 2.01 -1.26 -4.94 115.64 117.27 1sy9 s THR 117 Ca -0.04 -0.39 0.28 0.00 0.31 0.00 0.00 61.69 61.85 1sy9 s THR 117 Cb -0.02 -2.99 0.31 0.00 0.01 0.00 0.00 72.50 69.81 1sy9 s THR 117 CO -0.04 0.00 2.12 0.44 -0.69 0.00 0.00 174.62 176.45 1sy9 h ASP 118 N -0.41 0.00 -0.17 3.53 3.32 -2.01 -1.38 116.42 119.31 1sy9 h ASP 118 Ca -0.44 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.50 1sy9 h ASP 118 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1sy9 h ASP 118 CO 0.57 0.09 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.57 1sy9 h GLU 119 N 0.00 0.64 -0.57 3.56 5.08 -2.00 -1.98 114.58 119.32 1sy9 h GLU 119 Ca -0.00 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1sy9 h GLU 119 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1sy9 h GLU 119 CO 0.01 0.86 0.05 0.93 -1.00 0.00 0.00 179.01 179.85 1sy9 h GLU 120 N 0.56 0.94 -0.49 2.33 5.08 -1.62 -2.73 114.58 118.65 1sy9 h GLU 120 Ca 0.07 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.04 1sy9 h GLU 120 Cb 0.77 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1sy9 h GLU 120 CO 0.06 0.90 -0.22 0.28 -1.00 0.00 0.00 179.01 179.04 1sy9 h VAL 121 N 0.88 1.27 -0.81 3.13 2.07 -1.25 -3.08 116.25 118.46 1sy9 h VAL 121 Ca 0.17 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1sy9 h VAL 121 Cb 0.45 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1sy9 h VAL 121 CO 0.02 0.48 0.53 -0.78 0.02 0.00 0.00 177.57 177.84 1sy9 h ASP 122 N 0.87 0.92 -0.91 0.57 1.82 -1.11 -2.12 116.42 116.46 1sy9 h ASP 122 Ca 0.11 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1sy9 h ASP 122 Cb 0.80 -0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.53 1sy9 h ASP 122 CO 0.07 0.67 0.61 -0.08 -1.61 0.00 0.00 179.24 178.89 1sy9 h GLU 123 N 1.09 1.20 -0.94 0.28 4.81 -1.41 -1.47 114.58 118.14 1sy9 h GLU 123 Ca 0.30 -0.07 0.13 0.00 -0.13 0.00 0.00 59.36 59.59 1sy9 h GLU 123 Cb -0.12 -0.27 -0.08 0.00 0.63 0.00 0.00 28.75 28.91 1sy9 h GLU 123 CO -0.07 0.80 0.60 0.52 -0.73 0.00 0.00 179.01 180.13 1sy9 h MET 124 N 1.24 0.81 -0.63 1.92 2.86 -1.30 0.69 114.93 120.52 1sy9 h MET 124 Ca 0.34 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.83 1sy9 h MET 124 Cb -0.14 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.31 1sy9 h MET 124 CO -0.07 0.53 0.02 0.82 1.06 0.00 0.00 176.91 179.27 1sy9 h ILE 125 N 0.83 1.27 -1.00 -1.22 2.04 -1.17 -3.09 117.51 115.16 1sy9 h ILE 125 Ca 0.47 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 65.26 1sy9 h ILE 125 Cb 0.62 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 1sy9 h ILE 125 CO -0.24 0.42 0.65 -0.09 0.00 0.00 0.00 178.15 178.89 1sy9 h ARG 126 N 1.00 1.15 -0.79 2.37 2.43 -0.38 0.87 114.38 121.02 1sy9 h ARG 126 Ca 0.18 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1sy9 h ARG 126 Cb 0.55 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1sy9 h ARG 126 CO 0.03 0.76 0.52 0.93 -1.51 0.00 0.00 179.97 180.70 1sy9 h GLU 127 N 1.18 1.05 -0.01 0.20 5.08 -1.40 -3.12 114.58 117.57 1sy9 h GLU 127 Ca 0.43 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1sy9 h GLU 127 Cb 0.16 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1sy9 h GLU 127 CO -0.17 0.70 -0.31 0.00 -1.00 0.00 0.00 179.01 178.23 1sy9 n ALA 128 N -2.41 3.06 -1.96 3.43 0.00 -0.89 -4.79 120.51 116.95 1sy9 n ALA 128 Ca 0.09 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 1sy9 n ALA 128 Cb 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.45 4.27 -0.17 0.00 2.03 0.30 -4.70 116.55 117.82 1sy9 n ASP 129 Ca 0.04 -2.92 -0.11 0.00 0.52 0.00 0.00 54.79 52.32 1sy9 n ASP 129 Cb 0.23 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.02 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 4.03 1.27 0.00 5.18 2.04 -1.86 -2.87 117.51 125.29 1sy9 h ILE 130 Ca 0.51 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1sy9 h ILE 130 Cb 0.65 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1sy9 h ILE 130 CO 1.79 0.47 -0.00 -2.24 0.00 0.00 0.00 178.15 178.17 1sy9 h ASP 131 N 0.88 0.00 0.00 1.72 2.03 -1.94 -3.46 116.42 115.64 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 0.77 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 1sy9 h ASP 131 CO 0.06 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.89 1sy9 n GLY 132 N 0.07 0.41 0.03 7.15 0.00 -1.09 -4.93 105.19 106.83 1sy9 n GLY 132 Ca 0.01 -0.98 0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 1.94 0.33 0.00 1.61 5.75 -1.26 -4.90 116.55 120.01 1sy9 n ASP 133 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 1sy9 n ASP 133 Cb 0.21 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 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 1.44 0.75 3.06 6.12 0.00 -1.26 -5.04 105.19 110.25 1sy9 n GLY 134 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1sy9 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sy9 s GLN 135 N -0.52 0.47 -0.42 1.61 -0.21 -1.26 -4.82 119.66 114.50 1sy9 s GLN 135 Ca 0.00 -0.72 -0.18 0.00 0.02 0.00 0.00 55.36 54.49 1sy9 s GLN 135 Cb 0.00 0.18 0.02 0.00 1.00 0.00 0.00 33.01 34.21 1sy9 s GLN 135 CO 0.00 -0.10 0.46 0.08 -2.12 0.00 0.00 175.29 173.61 1sy9 s VAL 136 N -2.20 5.06 0.40 1.09 1.01 -1.26 -4.71 120.40 119.79 1sy9 s VAL 136 Ca -0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 1sy9 s VAL 136 Cb -0.04 -4.06 0.09 0.00 0.00 0.00 0.00 36.38 32.37 1sy9 s VAL 136 CO -0.03 -0.45 0.54 -0.46 0.00 0.00 0.00 175.10 174.70 1sy9 n ASN 137 N 5.67 0.12 -0.10 3.32 0.23 -1.26 -3.48 115.26 119.77 1sy9 n ASN 137 Ca -0.07 -1.25 -0.13 0.00 -0.53 0.00 0.00 54.58 52.61 1sy9 n ASN 137 Cb 0.47 -0.41 -0.04 0.00 -2.08 0.00 0.00 39.78 37.73 1sy9 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1sy9 h TYR 138 N -1.20 0.82 -0.00 -2.53 5.03 -1.98 -2.42 116.97 114.69 1sy9 h TYR 138 Ca -0.18 -0.23 -0.00 0.00 2.58 0.00 0.00 58.73 60.90 1sy9 h TYR 138 Cb 0.50 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 1sy9 h TYR 138 CO 0.00 0.96 0.00 0.93 -1.32 0.00 0.00 178.16 178.73 1sy9 h GLU 139 N 0.44 0.01 -0.36 1.82 5.08 -1.96 -2.76 114.58 116.85 1sy9 h GLU 139 Ca 0.05 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1sy9 h GLU 139 Cb 0.80 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1sy9 h GLU 139 CO 0.06 0.13 -0.08 0.93 -1.00 0.00 0.00 179.01 179.05 1sy9 h GLU 140 N -0.12 0.61 -0.42 2.33 5.08 -1.87 -2.50 114.58 117.69 1sy9 h GLU 140 Ca 0.00 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1sy9 h GLU 140 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1sy9 h GLU 140 CO -0.00 0.69 0.28 0.35 -1.00 0.00 0.00 179.01 179.33 1sy9 h PHE 141 N 0.57 0.53 -0.27 4.33 3.04 -1.30 -2.52 116.94 121.33 1sy9 h PHE 141 Ca 0.11 0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.89 1sy9 h PHE 141 Cb 0.48 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.81 1sy9 h PHE 141 CO 0.02 0.33 -0.54 0.28 -2.02 0.00 0.00 178.31 176.38 1sy9 h VAL 142 N 0.57 1.28 -0.00 1.41 2.07 -1.34 -2.88 116.25 117.36 1sy9 h VAL 142 Ca 0.16 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1sy9 h VAL 142 Cb -0.06 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1sy9 h VAL 142 CO -0.04 0.56 0.00 -0.61 0.02 0.00 0.00 177.57 177.50 1sy9 h GLN 143 N 0.61 0.00 -1.00 1.57 4.15 -1.33 0.50 115.11 119.61 1sy9 h GLN 143 Ca 0.01 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1sy9 h GLN 143 Cb 1.15 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 1sy9 h GLN 143 CO 0.12 0.00 0.66 1.98 -1.93 0.00 0.00 178.83 179.66 1sy9 h MET 144 N 0.00 1.31 -0.49 1.69 4.05 -1.53 -0.85 114.93 119.11 1sy9 h MET 144 Ca 0.00 -0.08 -0.13 0.00 -0.28 0.00 0.00 59.70 59.21 1sy9 h MET 144 Cb 0.00 -0.30 -0.01 0.00 -0.80 0.00 0.00 31.60 30.49 1sy9 h MET 144 CO -0.00 0.87 -0.21 0.52 0.23 0.00 0.00 176.91 178.32 1sy9 h MET 145 N 1.35 1.00 0.00 0.39 2.86 -1.21 -2.53 114.93 116.79 1sy9 h MET 145 Ca 0.37 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sy9 h MET 145 Cb -0.15 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.47 1sy9 h MET 145 CO -0.08 1.10 0.00 1.15 1.06 0.00 0.00 176.91 180.14 1sy9 h THR 146 N 0.86 0.00 -3.94 2.22 2.02 0.73 -3.44 112.91 111.36 1sy9 h THR 146 Ca 0.11 -0.38 -0.54 0.00 0.77 0.00 0.00 66.41 66.38 1sy9 h THR 146 Cb 0.79 1.26 0.11 0.00 -1.74 0.00 0.00 68.15 68.57 1sy9 h THR 146 CO 0.07 0.00 0.79 0.00 0.37 0.00 0.00 175.52 176.74 1sy9 n ALA 147 N -1.96 2.43 1.52 6.16 0.00 -0.39 -5.07 120.51 123.19 1sy9 n ALA 147 Ca 0.01 0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.91 1sy9 n ALA 147 Cb 0.26 -2.43 0.72 0.00 0.00 0.00 0.00 19.45 18.01 1sy9 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13