#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy9 s ASP 2 N 0.00 6.30 0.20 0.00 -1.08 -1.26 -5.06 116.67 115.77 1sy9 s ASP 2 Ca 0.00 0.03 0.09 0.00 -0.52 0.00 0.00 52.55 52.15 1sy9 s ASP 2 Cb 0.00 -2.25 -0.04 0.00 -1.46 0.00 0.00 42.92 39.16 1sy9 s ASP 2 CO 0.00 -0.41 -0.08 -1.10 0.52 0.00 0.00 175.17 174.09 1sy9 s GLN 3 N 2.31 2.08 0.62 4.34 -1.52 -1.26 -5.14 119.66 121.09 1sy9 s GLN 3 Ca 0.18 -1.31 0.03 0.00 -1.95 0.00 0.00 55.36 52.31 1sy9 s GLN 3 Cb -0.16 -2.14 0.12 0.00 -0.22 0.00 0.00 33.01 30.61 1sy9 s GLN 3 CO 0.12 0.42 0.85 1.28 -0.25 0.00 0.00 175.29 177.71 1sy9 n LEU 4 N -0.14 0.00 -3.88 2.90 4.77 -1.26 -5.09 117.00 114.31 1sy9 n LEU 4 Ca -0.10 -2.06 -0.30 0.00 -0.03 0.00 0.00 56.01 53.53 1sy9 n LEU 4 Cb 0.56 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.98 1sy9 n LEU 4 CO 0.36 -0.85 -0.37 0.42 -1.33 0.00 0.00 177.39 175.62 1sy9 s THR 5 N -2.61 1.41 -1.27 -5.08 -4.23 -1.26 -4.96 115.64 97.65 1sy9 s THR 5 Ca 0.59 -1.50 0.29 0.00 -1.18 0.00 0.00 61.69 59.89 1sy9 s THR 5 Cb -0.04 -1.91 0.36 0.00 1.34 0.00 0.00 72.50 72.25 1sy9 s THR 5 CO 0.38 -0.42 1.91 -0.62 -0.54 0.00 0.00 174.62 175.34 1sy9 n GLU 6 N 4.66 0.28 -0.11 3.99 1.02 -1.26 -3.72 120.64 125.50 1sy9 n GLU 6 Ca -0.05 -0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 56.91 1sy9 n GLU 6 Cb 0.43 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.11 0.93 -0.18 3.49 5.08 -2.02 -3.09 114.58 118.89 1sy9 h GLU 7 Ca 0.00 -0.51 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 1sy9 h GLU 7 Cb 0.40 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1sy9 h GLU 7 CO 0.00 1.16 -0.45 1.96 -1.00 0.00 0.00 179.01 180.69 1sy9 h GLN 8 N 0.75 0.45 -0.89 2.33 4.20 -2.01 -3.21 115.11 116.73 1sy9 h GLN 8 Ca 0.05 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.53 1sy9 h GLN 8 Cb 1.02 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 1sy9 h GLN 8 CO 0.10 0.82 0.59 0.82 -0.67 0.00 0.00 178.83 180.48 1sy9 h ILE 9 N 0.37 1.23 0.00 2.54 2.04 -1.68 -2.21 117.51 119.80 1sy9 h ILE 9 Ca 0.03 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1sy9 h ILE 9 Cb 0.94 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1sy9 h ILE 9 CO 0.08 0.22 -0.09 0.00 0.00 0.00 0.00 178.15 178.37 1sy9 h ALA 10 N 1.44 1.78 -0.79 1.87 0.00 -1.55 -2.12 119.26 119.89 1sy9 h ALA 10 Ca 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1sy9 h ALA 10 Cb -0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1sy9 h ALA 10 CO -0.07 0.11 0.34 0.93 0.00 0.00 0.00 179.25 180.56 1sy9 h GLU 11 N 0.00 1.16 0.00 0.00 5.08 -1.53 -2.06 114.58 117.23 1sy9 h GLU 11 Ca -0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1sy9 h GLU 11 Cb 0.16 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1sy9 h GLU 11 CO 0.01 0.92 -0.06 0.74 -1.00 0.00 0.00 179.01 179.63 1sy9 h PHE 12 N 1.13 0.00 -0.67 4.33 0.04 -1.42 -2.77 116.94 117.58 1sy9 h PHE 12 Ca 0.27 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.95 1sy9 h PHE 12 Cb 0.17 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1sy9 h PHE 12 CO 0.02 0.06 0.10 0.87 -0.60 0.00 0.00 178.31 178.75 1sy9 h LYS 13 N 0.00 1.12 0.75 1.51 1.79 -1.34 -2.27 116.57 118.14 1sy9 h LYS 13 Ca -0.00 -0.31 -0.04 0.00 -2.18 0.00 0.00 60.65 58.13 1sy9 h LYS 13 Cb 0.29 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1sy9 h LYS 13 CO 0.01 1.03 -0.36 0.93 -1.08 0.00 0.00 179.45 179.97 1sy9 h GLU 14 N 1.04 -0.97 -0.61 3.15 5.08 -1.56 -3.17 114.58 117.53 1sy9 h GLU 14 Ca 0.20 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1sy9 h GLU 14 Cb 0.46 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1sy9 h GLU 14 CO 0.02 -0.63 0.40 0.00 -1.00 0.00 0.00 179.01 177.80 1sy9 h ALA 15 N -0.99 1.56 -0.27 3.43 0.00 -1.63 -2.98 119.26 118.38 1sy9 h ALA 15 Ca -0.10 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1sy9 h ALA 15 Cb 0.79 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1sy9 h ALA 15 CO 0.17 0.41 -0.04 0.35 0.00 0.00 0.00 179.25 180.13 1sy9 h PHE 16 N 0.83 -0.10 -0.52 0.00 3.04 -1.39 0.63 116.94 119.43 1sy9 h PHE 16 Ca 0.22 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 1sy9 h PHE 16 Cb -0.09 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 1sy9 h PHE 16 CO 0.00 -0.09 0.30 1.03 -2.02 0.00 0.00 178.31 177.53 1sy9 h SER 17 N 0.03 0.62 -0.64 0.41 0.87 -1.51 0.28 113.55 113.61 1sy9 h SER 17 Ca 0.13 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1sy9 h SER 17 Cb 0.19 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1sy9 h SER 17 CO -0.26 0.49 0.04 0.25 -0.53 0.00 0.00 176.83 176.82 1sy9 h LEU 18 N 0.72 1.07 -0.24 2.23 7.12 -1.13 -2.97 115.31 122.11 1sy9 h LEU 18 Ca 0.19 -0.29 -0.19 0.00 0.13 0.00 0.00 57.88 57.72 1sy9 h LEU 18 Cb -0.01 -0.29 0.00 0.00 -0.53 0.00 0.00 40.66 39.84 1sy9 h LEU 18 CO -0.03 1.09 -0.58 -0.26 -0.13 0.00 0.00 178.44 178.53 1sy9 h PHE 19 N 1.01 1.04 -2.96 1.25 0.04 0.16 -3.39 116.94 114.10 1sy9 h PHE 19 Ca 0.19 -0.40 -0.71 0.00 2.80 0.00 0.00 57.97 59.84 1sy9 h PHE 19 Cb 0.52 -0.18 -0.20 0.00 2.20 0.00 0.00 35.95 38.28 1sy9 h PHE 19 CO 0.04 1.22 0.32 0.34 -0.60 0.00 0.00 178.31 179.63 1sy9 s ASP 20 N -6.93 6.43 0.32 2.17 -1.08 0.87 -4.88 116.67 113.56 1sy9 s ASP 20 Ca -0.11 -1.85 0.06 0.00 -0.52 0.00 0.00 52.55 50.13 1sy9 s ASP 20 Cb 0.09 -2.31 0.54 0.00 -1.46 0.00 0.00 42.92 39.78 1sy9 s ASP 20 CO 0.88 -1.00 1.78 0.11 0.52 0.00 0.00 175.17 177.46 1sy9 h LYS 21 N 8.81 0.33 0.00 4.34 1.57 -1.77 -2.81 116.57 127.04 1sy9 h LYS 21 Ca -0.09 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1sy9 h LYS 21 Cb 1.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1sy9 h LYS 21 CO 1.03 0.57 0.00 -0.25 -0.57 0.00 0.00 179.45 180.23 1sy9 n ASP 22 N -4.14 0.15 -1.78 0.86 8.00 -1.26 -4.89 116.55 113.49 1sy9 n ASP 22 Ca -0.01 0.52 -0.18 0.00 0.71 0.00 0.00 54.79 55.83 1sy9 n ASP 22 Cb 0.38 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.88 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 1.27 0.64 0.31 0.44 0.00 -1.06 -4.85 105.19 101.94 1sy9 n GLY 23 Ca 0.06 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.27 1.11 0.00 1.61 5.75 -1.26 -4.92 116.55 117.57 1sy9 n ASP 24 Ca -0.20 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.52 1sy9 n ASP 24 Cb 0.64 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 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 1.28 0.70 3.10 6.12 0.00 -1.26 -5.04 105.19 110.08 1sy9 n GLY 25 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1sy9 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sy9 s THR 26 N -2.23 0.02 -0.26 2.61 -4.23 -1.26 -4.23 115.64 106.06 1sy9 s THR 26 Ca 0.00 -0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.21 1sy9 s THR 26 Cb 0.00 -0.35 -0.05 0.00 1.34 0.00 0.00 72.50 73.45 1sy9 s THR 26 CO 0.00 -0.11 0.16 -0.63 -0.54 0.00 0.00 174.62 173.50 1sy9 s ILE 27 N -0.35 5.13 -0.04 2.99 1.01 -1.22 -4.88 121.20 123.85 1sy9 s ILE 27 Ca -0.04 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 1sy9 s ILE 27 Cb -0.03 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1sy9 s ILE 27 CO 0.01 0.30 0.20 0.42 0.00 0.00 0.00 174.94 175.87 1sy9 s THR 28 N 1.48 5.41 0.42 2.92 -4.23 -1.26 -3.88 115.64 116.50 1sy9 s THR 28 Ca 0.07 0.08 0.27 0.00 -1.18 0.00 0.00 61.69 60.94 1sy9 s THR 28 Cb -0.15 -3.50 0.45 0.00 1.34 0.00 0.00 72.50 70.64 1sy9 s THR 28 CO 0.08 0.44 1.62 0.71 -0.54 0.00 0.00 174.62 176.93 1sy9 h THR 29 N 3.30 0.11 -0.18 3.99 1.35 -1.91 0.49 112.91 120.06 1sy9 h THR 29 Ca -0.51 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.31 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 0.64 0.02 0.09 0.11 -0.25 0.00 0.00 175.52 176.13 1sy9 h LYS 30 N 0.09 0.26 0.51 4.72 1.57 -1.96 -2.16 116.57 119.60 1sy9 h LYS 30 Ca 0.82 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.54 1sy9 h LYS 30 Cb 2.47 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.73 1sy9 h LYS 30 CO -0.49 0.30 -0.24 0.93 -0.57 0.00 0.00 179.45 179.38 1sy9 h GLU 31 N 0.16 -0.65 -0.71 3.15 5.08 -0.42 -3.03 114.58 118.16 1sy9 h GLU 31 Ca 0.06 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1sy9 h GLU 31 Cb 0.12 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1sy9 h GLU 31 CO -0.01 -0.44 0.47 1.25 -1.00 0.00 0.00 179.01 179.29 1sy9 h LEU 32 N -0.68 0.81 -1.86 1.33 5.85 -1.47 -2.56 115.31 116.72 1sy9 h LEU 32 Ca -0.07 -0.02 0.29 0.00 0.84 0.00 0.00 57.88 58.92 1sy9 h LEU 32 Cb 0.52 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1sy9 h LEU 32 CO 0.11 0.59 0.73 1.23 -0.34 0.00 0.00 178.44 180.76 1sy9 h GLY 33 N 0.96 0.26 1.18 3.75 0.00 -1.25 0.16 103.07 108.12 1sy9 h GLY 33 Ca 0.26 -0.05 -0.18 0.00 0.00 0.00 0.00 47.33 47.36 1sy9 h GLY 33 CO -0.06 -0.02 -0.51 -0.84 0.00 0.00 0.00 176.54 175.11 1sy9 h THR 34 N 0.09 1.28 0.32 4.70 2.02 -1.53 -1.84 112.91 117.94 1sy9 h THR 34 Ca 0.51 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1sy9 h THR 34 Cb 1.87 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1sy9 h THR 34 CO -0.07 0.56 -0.15 0.58 0.37 0.00 0.00 175.52 176.81 1sy9 h VAL 35 N 0.68 0.70 -0.50 3.16 2.07 -0.82 -2.37 116.25 119.17 1sy9 h VAL 35 Ca 0.02 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1sy9 h VAL 35 Cb 1.11 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1sy9 h VAL 35 CO 0.11 0.09 0.33 0.24 0.02 0.00 0.00 177.57 178.36 1sy9 h MET 36 N -0.67 0.66 -0.05 1.57 2.86 -1.52 -2.07 114.93 115.72 1sy9 h MET 36 Ca -0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1sy9 h MET 36 Cb 0.47 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1sy9 h MET 36 CO 0.07 0.44 0.03 -0.09 1.06 0.00 0.00 176.91 178.42 1sy9 h ARG 37 N 0.68 0.06 0.00 1.72 1.12 -0.23 -1.17 114.38 116.55 1sy9 h ARG 37 Ca 0.18 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 1sy9 h ARG 37 Cb -0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.87 1sy9 h ARG 37 CO -0.04 0.04 0.00 1.03 -3.11 0.00 0.00 179.97 177.89 1sy9 h SER 38 N 0.06 0.00 0.94 -3.80 0.87 -0.96 -2.77 113.55 107.90 1sy9 h SER 38 Ca 0.02 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 1sy9 h SER 38 Cb -0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1sy9 h SER 38 CO -0.00 0.00 -1.12 -0.07 -0.53 0.00 0.00 176.83 175.10 1sy9 h LEU 39 N 0.00 0.00 0.00 2.23 3.38 -0.68 -3.47 115.31 116.77 1sy9 h LEU 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sy9 h LEU 39 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sy9 h LEU 39 CO 0.00 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1sy9 n GLY 40 N 1.32 1.07 3.31 0.83 0.00 -0.60 -5.05 105.19 106.06 1sy9 n GLY 40 Ca -0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 0.93 -0.37 1.61 0.74 -0.55 -4.95 119.66 117.07 1sy9 s GLN 41 Ca 0.00 -0.43 0.01 0.00 0.05 0.00 0.00 55.36 54.99 1sy9 s GLN 41 Cb 0.00 0.41 0.10 0.00 1.10 0.00 0.00 33.01 34.63 1sy9 s GLN 41 CO 0.00 -0.32 0.12 1.21 -0.55 0.00 0.00 175.29 175.75 1sy9 s ASN 42 N -2.13 4.98 0.00 6.67 2.47 -1.26 -1.12 114.94 124.55 1sy9 s ASN 42 Ca -0.04 -2.11 0.00 0.00 0.42 0.00 0.00 52.86 51.13 1sy9 s ASN 42 Cb -0.00 -1.72 0.00 0.00 -1.45 0.00 0.00 41.25 38.08 1sy9 s ASN 42 CO -0.04 -0.45 0.00 -0.81 -3.72 0.00 0.00 177.10 172.08 1sy9 n PRO 43 N 4.40 2.35 -4.05 0.43 -0.04 -1.26 -4.99 135.00 131.83 1sy9 n PRO 43 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1sy9 n PRO 43 Cb 0.42 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.19 0.66 0.52 -4.23 -1.26 -5.02 115.64 106.50 1sy9 s THR 44 Ca 0.00 -1.50 0.31 0.00 -1.18 0.00 0.00 61.69 59.33 1sy9 s THR 44 Cb 0.00 -1.08 0.32 0.00 1.34 0.00 0.00 72.50 73.08 1sy9 s THR 44 CO 0.00 -0.82 1.97 -0.33 -0.54 0.00 0.00 174.62 174.89 1sy9 h GLU 45 N 3.67 0.00 0.41 3.99 5.08 -1.97 0.42 114.58 126.18 1sy9 h GLU 45 Ca -0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1sy9 h GLU 45 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1sy9 h GLU 45 CO 0.57 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 178.39 1sy9 h ALA 46 N 1.42 -0.55 -0.17 3.43 0.00 -2.00 -2.85 119.26 118.54 1sy9 h ALA 46 Ca 0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1sy9 h ALA 46 Cb 0.63 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1sy9 h ALA 46 CO -0.00 -0.51 -0.38 1.49 0.00 0.00 0.00 179.25 179.85 1sy9 h GLU 47 N -1.15 0.37 -0.55 0.00 4.81 -1.77 -2.78 114.58 113.51 1sy9 h GLU 47 Ca -0.06 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1sy9 h GLU 47 Cb 0.42 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1sy9 h GLU 47 CO 0.09 0.70 0.37 -0.07 -0.73 0.00 0.00 179.01 179.36 1sy9 h LEU 48 N 0.31 0.54 -0.84 1.64 3.38 -0.29 -1.81 115.31 118.24 1sy9 h LEU 48 Ca 0.03 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1sy9 h LEU 48 Cb 0.81 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1sy9 h LEU 48 CO 0.06 0.37 -0.50 -0.61 0.09 0.00 0.00 178.44 177.85 1sy9 h GLN 49 N 0.62 0.20 -0.26 1.13 4.15 -1.24 -3.05 115.11 116.67 1sy9 h GLN 49 Ca 0.22 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.42 1sy9 h GLN 49 Cb 0.11 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1sy9 h GLN 49 CO -0.06 0.66 -0.29 0.22 -1.93 0.00 0.00 178.83 177.43 1sy9 h ASP 50 N 0.16 0.70 -0.77 -0.69 1.82 -1.34 -1.64 116.42 114.66 1sy9 h ASP 50 Ca 0.01 -0.49 -0.01 0.00 -0.39 0.00 0.00 57.03 56.15 1sy9 h ASP 50 Cb 0.94 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.72 1sy9 h ASP 50 CO 0.08 1.04 0.46 0.24 -1.61 0.00 0.00 179.24 179.45 1sy9 h MET 51 N 0.37 1.05 -0.07 0.28 2.86 -1.51 -1.86 114.93 116.04 1sy9 h MET 51 Ca 0.04 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1sy9 h MET 51 Cb 0.86 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1sy9 h MET 51 CO 0.07 0.75 -0.47 0.82 1.06 0.00 0.00 176.91 179.14 1sy9 h ILE 52 N 1.06 1.34 -0.86 -1.22 2.04 -1.51 -3.13 117.51 115.23 1sy9 h ILE 52 Ca 0.28 -1.66 0.01 0.00 1.00 0.00 0.00 64.86 64.49 1sy9 h ILE 52 Cb -0.03 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1sy9 h ILE 52 CO -0.05 0.49 0.57 -1.13 0.00 0.00 0.00 178.15 178.03 1sy9 h ASN 53 N 0.15 0.98 0.58 1.72 -0.73 -0.44 0.50 115.58 118.33 1sy9 h ASN 53 Ca 0.01 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.11 1sy9 h ASN 53 Cb 0.89 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.23 1sy9 h ASN 53 CO 0.07 0.71 -0.22 -0.08 -0.37 0.00 0.00 177.43 177.53 1sy9 h GLU 54 N 1.16 0.00 -0.00 6.67 4.57 -1.45 -2.82 114.58 122.71 1sy9 h GLU 54 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1sy9 h GLU 54 Cb -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1sy9 h GLU 54 CO -0.07 0.22 -0.90 0.28 -1.18 0.00 0.00 179.01 177.36 1sy9 n VAL 55 N -3.64 0.00 -2.18 0.32 0.31 -0.60 -4.89 118.33 107.65 1sy9 n VAL 55 Ca -0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 1sy9 n VAL 55 Cb 0.35 0.96 -0.03 0.00 -0.91 0.00 0.00 33.84 34.21 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 -2.95 5.91 0.14 4.52 1.01 0.17 -4.86 116.67 120.61 1sy9 s ASP 56 Ca 0.09 0.73 -0.11 0.00 0.71 0.00 0.00 52.55 53.98 1sy9 s ASP 56 Cb 0.16 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1sy9 s ASP 56 CO 0.82 -1.80 1.47 0.00 0.21 0.00 0.00 175.17 175.87 1sy9 h ALA 57 N 12.42 0.56 0.00 5.23 0.00 -1.89 -3.23 119.26 132.34 1sy9 h ALA 57 Ca -0.29 -0.46 -0.27 0.00 0.00 0.00 0.00 54.91 53.89 1sy9 h ALA 57 Cb 1.13 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1sy9 h ALA 57 CO 1.12 0.67 -1.58 0.38 0.00 0.00 0.00 179.25 179.84 1sy9 h ASP 58 N 0.76 0.00 0.00 0.00 2.03 -1.95 -3.48 116.42 113.78 1sy9 h ASP 58 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1sy9 h ASP 58 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1sy9 h ASP 58 CO 0.10 0.97 0.00 0.61 -1.03 0.00 0.00 179.24 179.89 1sy9 n GLY 59 N 1.51 0.64 0.13 7.15 0.00 -1.22 -4.96 105.19 108.45 1sy9 n GLY 59 Ca -0.14 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 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 0.17 0.00 1.61 -1.07 -1.93 -3.47 115.58 110.89 1sy9 h ASN 60 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.25 1sy9 h ASN 60 Cb 0.35 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.55 1sy9 h ASN 60 CO 0.00 0.85 0.00 0.61 0.07 0.00 0.00 177.43 178.96 1sy9 n GLY 61 N 0.58 0.95 3.34 9.14 0.00 -1.26 -5.12 105.19 112.83 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 -1.70 0.66 -0.26 2.61 -4.23 -1.26 -4.88 115.64 106.57 1sy9 s THR 62 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1sy9 s THR 62 Cb 0.00 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1sy9 s THR 62 CO 0.00 0.00 0.13 -0.63 -0.54 0.00 0.00 174.62 173.58 1sy9 s ILE 63 N -3.68 4.86 0.44 2.99 1.01 -1.25 -4.85 121.20 120.72 1sy9 s ILE 63 Ca 0.38 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.10 1sy9 s ILE 63 Cb 0.08 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.27 1sy9 s ILE 63 CO 0.14 0.30 0.61 -1.81 0.00 0.00 0.00 174.94 174.18 1sy9 s ASP 64 N 1.63 5.60 0.21 3.58 1.01 -1.26 -3.38 116.67 124.06 1sy9 s ASP 64 Ca 0.07 -0.30 -0.12 0.00 0.71 0.00 0.00 52.55 52.91 1sy9 s ASP 64 Cb -0.15 -0.77 0.27 0.00 1.01 0.00 0.00 42.92 43.28 1sy9 s ASP 64 CO 0.07 -0.82 1.65 0.15 0.21 0.00 0.00 175.17 176.44 1sy9 h PHE 65 N 0.53 -0.13 -0.18 4.23 3.57 -1.99 0.16 116.94 123.13 1sy9 h PHE 65 Ca -0.41 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.04 1sy9 h PHE 65 Cb 1.28 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 1sy9 h PHE 65 CO 0.40 -0.19 -0.34 -1.00 -2.23 0.00 0.00 178.31 174.95 1sy9 h PRO 66 N 0.08 0.36 -0.30 6.41 0.13 -1.97 -2.68 132.00 134.02 1sy9 h PRO 66 Ca 0.31 -0.15 -0.18 0.00 -0.87 0.00 0.00 66.00 65.10 1sy9 h PRO 66 Cb 0.50 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1sy9 h PRO 66 CO -0.55 0.66 -0.53 0.93 -0.23 0.00 0.00 178.00 178.27 1sy9 h GLU 67 N 0.31 0.89 -0.00 0.86 5.08 -1.56 -2.97 114.58 117.19 1sy9 h GLU 67 Ca 0.04 -0.56 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1sy9 h GLU 67 Cb 0.74 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1sy9 h GLU 67 CO 0.06 1.20 0.00 0.35 -1.00 0.00 0.00 179.01 179.62 1sy9 h PHE 68 N 0.69 0.01 -0.80 4.33 3.57 -0.59 -2.47 116.94 121.67 1sy9 h PHE 68 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1sy9 h PHE 68 Cb 1.14 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 1sy9 h PHE 68 CO 0.07 0.04 0.51 -0.07 -2.23 0.00 0.00 178.31 176.64 1sy9 h LEU 69 N -0.03 0.94 -1.02 0.59 3.38 -1.53 -2.65 115.31 114.98 1sy9 h LEU 69 Ca 0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1sy9 h LEU 69 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1sy9 h LEU 69 CO -0.00 0.70 0.15 0.71 0.09 0.00 0.00 178.44 180.08 1sy9 h THR 70 N 1.09 1.23 -0.36 0.22 1.35 -1.40 -2.53 112.91 112.51 1sy9 h THR 70 Ca 0.29 -0.81 -0.05 0.00 -0.55 0.00 0.00 66.41 65.29 1sy9 h THR 70 Cb -0.10 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 1sy9 h THR 70 CO -0.06 0.30 0.03 -0.03 -0.25 0.00 0.00 175.52 175.51 1sy9 h MET 71 N 0.82 0.62 0.45 4.72 1.85 -1.09 -2.16 114.93 120.15 1sy9 h MET 71 Ca 0.18 -0.18 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1sy9 h MET 71 Cb 0.28 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.25 1sy9 h MET 71 CO -0.00 0.71 -0.22 0.52 -0.40 0.00 0.00 176.91 177.52 1sy9 h MET 72 N 0.45 -0.59 -0.94 0.39 2.07 -1.44 -2.09 114.93 112.78 1sy9 h MET 72 Ca 0.11 0.04 0.07 0.00 -2.07 0.00 0.00 59.70 57.85 1sy9 h MET 72 Cb 0.42 0.13 -0.07 0.00 -1.87 0.00 0.00 31.60 30.21 1sy9 h MET 72 CO 0.01 -0.39 0.59 0.00 1.07 0.00 0.00 176.91 178.20 1sy9 h ALA 73 N -1.17 1.32 -0.37 6.32 0.00 -1.57 1.06 119.26 124.85 1sy9 h ALA 73 Ca -0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1sy9 h ALA 73 Cb 0.47 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sy9 h ALA 73 CO 0.10 0.33 -0.40 -0.09 0.00 0.00 0.00 179.25 179.20 1sy9 h ARG 74 N 1.06 0.92 0.16 0.00 9.65 -1.49 -3.12 114.38 121.57 1sy9 h ARG 74 Ca 0.42 -0.50 -0.35 0.00 -1.10 0.00 0.00 59.98 58.45 1sy9 h ARG 74 Cb 0.22 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1sy9 h ARG 74 CO -0.19 1.15 -1.76 -0.22 2.80 0.00 0.00 179.97 181.75 1sy9 h LYS 75 N 0.73 0.35 -1.00 0.20 1.63 -0.88 -3.35 116.57 114.24 1sy9 h LYS 75 Ca 0.05 -0.59 0.01 0.00 -0.85 0.00 0.00 60.65 59.27 1sy9 h LYS 75 Cb 1.00 0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 32.80 1sy9 h LYS 75 CO 0.10 1.25 0.66 0.52 -3.45 0.00 0.00 179.45 178.54 1sy9 h MET 76 N 0.09 1.32 -0.50 1.90 2.86 0.11 -1.08 114.93 119.63 1sy9 h MET 76 Ca -0.34 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 1sy9 h MET 76 Cb 2.08 -0.30 -0.02 0.00 0.06 0.00 0.00 31.60 33.42 1sy9 h MET 76 CO 0.16 0.88 0.25 0.87 1.06 0.00 0.00 176.91 180.12 1sy9 h LYS 77 N 1.36 0.71 0.00 1.72 1.79 -1.71 -1.37 116.57 119.08 1sy9 h LYS 77 Ca 0.37 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1sy9 h LYS 77 Cb -0.16 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.36 1sy9 h LYS 77 CO -0.08 0.59 0.00 -3.47 -1.08 0.00 0.00 179.45 175.41 1sy9 n ASP 78 N -4.62 0.00 -2.13 0.86 -0.08 -1.01 -4.80 116.55 104.77 1sy9 n ASP 78 Ca 0.02 0.50 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1sy9 n ASP 78 Cb 0.11 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.07 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 -1.50 0.00 -4.54 5.18 5.66 -0.44 -5.10 114.28 113.53 1sy9 n THR 79 Ca 0.05 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.83 1sy9 n THR 79 Cb 0.25 -1.72 -0.16 0.00 -1.55 0.00 0.00 70.33 67.15 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 -1.00 1.54 0.39 1.09 1.01 -1.26 -5.02 116.67 113.41 1sy9 s ASP 80 Ca 0.00 -0.24 0.18 0.00 0.71 0.00 0.00 52.55 53.19 1sy9 s ASP 80 Cb 0.00 -0.43 0.78 0.00 1.01 0.00 0.00 42.92 44.28 1sy9 s ASP 80 CO 0.00 0.09 1.79 -1.28 0.21 0.00 0.00 175.17 175.99 1sy9 h SER 81 N 6.36 0.00 -0.67 0.27 0.87 -1.97 -2.91 113.55 115.50 1sy9 h SER 81 Ca -0.33 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 1sy9 h SER 81 Cb 1.17 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1sy9 h SER 81 CO 0.48 0.36 0.44 -0.33 -0.53 0.00 0.00 176.83 177.25 1sy9 h GLU 82 N 0.00 0.88 -0.38 2.24 4.39 -2.00 -2.31 114.58 117.40 1sy9 h GLU 82 Ca -0.00 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 1sy9 h GLU 82 Cb 0.77 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1sy9 h GLU 82 CO 0.05 0.58 -0.41 0.93 -1.16 0.00 0.00 179.01 179.00 1sy9 h GLU 83 N 0.90 0.94 -0.80 2.33 5.08 -1.95 -2.74 114.58 118.35 1sy9 h GLU 83 Ca 0.24 -0.51 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1sy9 h GLU 83 Cb -0.10 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1sy9 h GLU 83 CO -0.05 1.16 0.32 0.93 -1.00 0.00 0.00 179.01 180.37 1sy9 h GLU 84 N 0.76 1.20 -0.20 2.33 5.08 -1.46 -2.68 114.58 119.62 1sy9 h GLU 84 Ca 0.06 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1sy9 h GLU 84 Cb 1.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1sy9 h GLU 84 CO 0.10 0.97 0.01 0.82 -1.00 0.00 0.00 179.01 179.90 1sy9 h ILE 85 N 1.17 1.25 -0.97 3.13 2.04 -1.41 -2.52 117.51 120.19 1sy9 h ILE 85 Ca 0.27 -0.84 0.08 0.00 1.00 0.00 0.00 64.86 65.36 1sy9 h ILE 85 Cb 0.22 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 1sy9 h ILE 85 CO -0.02 0.26 0.62 0.03 0.00 0.00 0.00 178.15 179.03 1sy9 h ARG 86 N 0.10 1.06 -0.38 2.37 3.08 -1.33 -2.30 114.38 116.98 1sy9 h ARG 86 Ca 0.06 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 1sy9 h ARG 86 Cb 0.38 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1sy9 h ARG 86 CO 0.01 0.70 -0.40 0.93 -1.07 0.00 0.00 179.97 180.14 1sy9 h GLU 87 N 1.09 0.94 -0.08 0.04 5.08 -1.40 -2.90 114.58 117.35 1sy9 h GLU 87 Ca 0.44 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1sy9 h GLU 87 Cb 0.25 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1sy9 h GLU 87 CO -0.20 1.16 0.01 0.00 -1.00 0.00 0.00 179.01 178.99 1sy9 h ALA 88 N 0.76 0.10 -0.59 3.43 0.00 -0.99 -2.34 119.26 119.64 1sy9 h ALA 88 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sy9 h ALA 88 Cb 1.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1sy9 h ALA 88 CO 0.10 -0.25 0.34 0.35 0.00 0.00 0.00 179.25 179.78 1sy9 h PHE 89 N -0.11 0.79 -0.85 0.00 3.04 -1.52 -2.41 116.94 115.89 1sy9 h PHE 89 Ca 0.02 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1sy9 h PHE 89 Cb 0.28 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.49 1sy9 h PHE 89 CO 0.01 0.56 0.56 -0.09 -2.02 0.00 0.00 178.31 177.34 1sy9 h ARG 90 N 0.80 1.12 -0.05 1.11 2.43 -1.46 0.11 114.38 118.44 1sy9 h ARG 90 Ca 0.21 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1sy9 h ARG 90 Cb 0.01 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1sy9 h ARG 90 CO -0.04 0.74 -0.05 0.28 -1.51 0.00 0.00 179.97 179.39 1sy9 h VAL 91 N 1.15 1.38 -0.50 0.20 2.07 -1.07 -3.27 116.25 116.20 1sy9 h VAL 91 Ca 0.31 -1.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.50 1sy9 h VAL 91 Cb -0.13 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1sy9 h VAL 91 CO -0.07 0.33 -0.19 -0.26 0.02 0.00 0.00 177.57 177.40 1sy9 h PHE 92 N -0.33 1.15 0.00 1.57 0.04 -1.28 -3.33 116.94 114.76 1sy9 h PHE 92 Ca 0.01 -0.27 -0.68 0.00 2.80 0.00 0.00 57.97 59.83 1sy9 h PHE 92 Cb 0.55 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 38.44 1sy9 h PHE 92 CO 0.09 1.10 2.70 -3.47 -0.60 0.00 0.00 178.31 178.13 1sy9 n ASP 93 N -4.12 3.17 -0.10 2.17 -0.08 0.37 -4.69 116.55 113.27 1sy9 n ASP 93 Ca 0.00 -2.75 -0.09 0.00 -1.51 0.00 0.00 54.79 50.45 1sy9 n ASP 93 Cb 0.45 -1.37 -0.01 0.00 2.34 0.00 0.00 41.12 42.53 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1sy9 h LYS 94 N 7.00 0.45 0.00 -0.67 3.64 -1.77 -2.02 116.57 123.21 1sy9 h LYS 94 Ca 0.49 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1sy9 h LYS 94 Cb 0.65 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1sy9 h LYS 94 CO 1.93 0.30 0.00 0.38 -2.27 0.00 0.00 179.45 179.79 1sy9 h ASP 95 N 0.46 0.00 -5.59 4.20 2.03 -1.95 -3.48 116.42 112.11 1sy9 h ASP 95 Ca 0.13 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.20 1sy9 h ASP 95 Cb -0.05 0.00 0.13 0.00 -0.83 0.00 0.00 39.33 38.58 1sy9 h ASP 95 CO -0.03 0.00 -0.69 0.61 -1.03 0.00 0.00 179.24 178.10 1sy9 n GLY 96 N 0.45 -1.16 0.13 7.15 0.00 -0.76 -4.94 105.19 106.06 1sy9 n GLY 96 Ca 0.02 0.54 0.06 0.00 0.00 0.00 0.00 46.02 46.64 1sy9 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sy9 n ASN 97 N -2.81 0.93 0.00 1.61 6.94 -1.26 -4.99 115.26 115.68 1sy9 n ASN 97 Ca -0.06 -0.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.53 1sy9 n ASN 97 Cb 0.59 0.75 0.00 0.00 -2.36 0.00 0.00 39.78 38.76 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 1.13 2.11 3.11 4.83 0.00 -1.26 -5.07 105.19 110.04 1sy9 n GLY 98 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.02 0.19 -0.12 1.61 1.13 -1.26 -2.73 117.35 114.15 1sy9 s TYR 99 Ca 0.00 -0.49 -0.19 0.00 -1.41 0.00 0.00 57.07 54.99 1sy9 s TYR 99 Cb 0.00 -0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.68 1sy9 s TYR 99 CO 0.00 -0.36 0.50 0.42 -2.51 0.00 0.00 175.55 173.60 1sy9 s ILE 100 N -2.54 5.17 0.70 -3.49 1.01 -0.06 -4.88 121.20 117.11 1sy9 s ILE 100 Ca -0.06 1.00 -0.04 0.00 0.00 0.00 0.00 60.65 61.55 1sy9 s ILE 100 Cb -0.02 -3.84 0.08 0.00 0.01 0.00 0.00 42.46 38.70 1sy9 s ILE 100 CO -0.04 0.30 0.99 -0.44 0.00 0.00 0.00 174.94 175.75 1sy9 s SER 101 N 0.69 4.66 0.15 3.58 0.01 -1.26 -3.40 113.70 118.14 1sy9 s SER 101 Ca 0.27 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.58 1sy9 s SER 101 Cb -0.15 -0.75 0.01 0.00 0.21 0.00 0.00 66.02 65.34 1sy9 s SER 101 CO 0.11 -1.66 1.57 0.00 0.41 0.00 0.00 173.24 173.67 1sy9 h ALA 102 N -0.53 0.68 -0.61 1.44 0.00 -1.93 -2.70 119.26 115.60 1sy9 h ALA 102 Ca -0.42 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 1sy9 h ALA 102 Cb 1.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1sy9 h ALA 102 CO 0.52 0.58 0.18 0.00 0.00 0.00 0.00 179.25 180.53 1sy9 h ALA 103 N 0.90 1.18 -0.69 0.00 0.00 -1.97 -2.28 119.26 116.40 1sy9 h ALA 103 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sy9 h ALA 103 Cb 0.66 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1sy9 h ALA 103 CO 0.05 0.57 0.39 0.93 0.00 0.00 0.00 179.25 181.18 1sy9 h GLU 104 N 0.89 0.94 -0.52 0.00 5.08 -1.82 -2.16 114.58 116.99 1sy9 h GLU 104 Ca 0.20 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1sy9 h GLU 104 Cb 0.27 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1sy9 h GLU 104 CO -0.01 0.69 0.13 1.25 -1.00 0.00 0.00 179.01 180.07 1sy9 h LEU 105 N 0.96 0.79 -1.15 1.33 6.46 -1.11 -2.97 115.31 119.62 1sy9 h LEU 105 Ca 0.24 -0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1sy9 h LEU 105 Cb 0.01 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.69 1sy9 h LEU 105 CO -0.04 0.82 0.57 -0.09 -0.62 0.00 0.00 178.44 179.08 1sy9 h ARG 106 N 0.73 1.13 -0.90 1.25 2.43 -1.08 -2.80 114.38 115.14 1sy9 h ARG 106 Ca 0.16 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1sy9 h ARG 106 Cb 0.34 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1sy9 h ARG 106 CO 0.00 0.75 0.60 0.45 -1.51 0.00 0.00 179.97 180.26 1sy9 h HIS 107 N 1.17 1.14 0.00 2.20 3.86 -1.29 -2.14 115.15 120.09 1sy9 h HIS 107 Ca 0.31 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1sy9 h HIS 107 Cb -0.13 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 27.95 1sy9 h HIS 107 CO 0.00 0.71 -0.00 0.28 0.86 0.00 0.00 177.93 179.78 1sy9 h VAL 108 N 1.22 1.50 -0.86 2.45 2.07 -1.54 -2.44 116.25 118.65 1sy9 h VAL 108 Ca 0.33 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 66.37 1sy9 h VAL 108 Cb -0.14 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1sy9 h VAL 108 CO -0.07 0.39 0.56 0.24 0.02 0.00 0.00 177.57 178.71 1sy9 h MET 109 N -0.65 1.07 -0.25 1.57 2.07 -1.49 0.42 114.93 117.67 1sy9 h MET 109 Ca -0.00 -0.06 -0.02 0.00 -2.07 0.00 0.00 59.70 57.54 1sy9 h MET 109 Cb 0.64 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 30.12 1sy9 h MET 109 CO 0.00 0.71 0.07 1.15 1.07 0.00 0.00 176.91 179.91 1sy9 h THR 110 N 1.11 1.21 -0.33 2.22 2.02 -1.47 0.17 112.91 117.84 1sy9 h THR 110 Ca 0.34 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1sy9 h THR 110 Cb -0.04 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1sy9 h THR 110 CO -0.10 0.21 0.14 -1.13 0.37 0.00 0.00 175.52 175.02 1sy9 h ASN 111 N 0.23 0.41 0.45 4.18 -0.73 -0.90 -0.99 115.58 118.23 1sy9 h ASN 111 Ca 0.08 -0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.11 1sy9 h ASN 111 Cb 0.26 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1sy9 h ASN 111 CO -0.00 0.36 -0.49 -0.07 -0.37 0.00 0.00 177.43 176.87 1sy9 h LEU 112 N 0.46 0.05 0.00 0.34 3.38 0.54 -3.47 115.31 116.61 1sy9 h LEU 112 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sy9 h LEU 112 Cb 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1sy9 h LEU 112 CO -0.01 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1sy9 n GLY 113 N -0.11 1.84 3.23 0.83 0.00 -0.17 -5.03 105.19 105.79 1sy9 n GLY 113 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.41 2.13 -0.19 1.61 2.12 -0.13 -5.01 118.70 118.81 1sy9 s GLU 114 Ca 0.00 -0.81 -0.04 0.00 0.36 0.00 0.00 54.97 54.48 1sy9 s GLU 114 Cb 0.00 -1.89 -0.02 0.00 0.26 0.00 0.00 34.13 32.47 1sy9 s GLU 114 CO 0.00 0.39 -0.02 0.15 -0.54 0.00 0.00 175.26 175.24 1sy9 s LYS 115 N -0.25 3.57 0.06 4.30 1.02 -1.26 -3.87 119.74 123.31 1sy9 s LYS 115 Ca 0.01 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.45 1sy9 s LYS 115 Cb -0.11 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1sy9 s LYS 115 CO 0.02 0.02 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.92 1sy9 s LEU 116 N 0.96 2.49 0.67 3.17 1.43 -1.26 -5.15 118.68 120.99 1sy9 s LEU 116 Ca 0.01 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.01 1sy9 s LEU 116 Cb -0.14 0.13 -0.01 0.00 0.03 0.00 0.00 46.19 46.20 1sy9 s LEU 116 CO 0.01 -0.56 1.06 -0.89 0.23 0.00 0.00 176.35 176.21 1sy9 s THR 117 N -3.79 4.08 0.53 5.49 2.01 -1.26 -4.90 115.64 117.79 1sy9 s THR 117 Ca 0.08 0.67 0.18 0.00 0.31 0.00 0.00 61.69 62.93 1sy9 s THR 117 Cb 0.07 -3.63 0.29 0.00 0.01 0.00 0.00 72.50 69.24 1sy9 s THR 117 CO -0.09 -0.88 2.15 -0.78 -0.69 0.00 0.00 174.62 174.33 1sy9 h ASP 118 N -0.53 0.00 0.19 3.53 1.82 -2.01 0.48 116.42 119.89 1sy9 h ASP 118 Ca -0.45 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.09 1sy9 h ASP 118 Cb 1.22 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 1sy9 h ASP 118 CO 0.62 0.00 -0.37 -0.33 -1.61 0.00 0.00 179.24 177.55 1sy9 h GLU 119 N 0.00 0.26 -0.41 0.28 5.08 -2.00 -2.14 114.58 115.66 1sy9 h GLU 119 Ca 0.02 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 1sy9 h GLU 119 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1sy9 h GLU 119 CO -0.00 0.61 -0.22 0.93 -1.00 0.00 0.00 179.01 179.33 1sy9 h GLU 120 N 0.22 0.82 -0.39 2.33 5.08 -1.26 -2.49 114.58 118.90 1sy9 h GLU 120 Ca 0.02 -0.33 -0.16 0.00 -1.00 0.00 0.00 59.36 57.89 1sy9 h GLU 120 Cb 0.77 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1sy9 h GLU 120 CO 0.06 0.96 -0.38 0.28 -1.00 0.00 0.00 179.01 178.93 1sy9 h VAL 121 N 0.71 1.27 -0.81 3.13 2.07 -1.17 -3.08 116.25 118.38 1sy9 h VAL 121 Ca 0.10 -1.55 0.01 0.00 0.82 0.00 0.00 66.70 66.07 1sy9 h VAL 121 Cb 0.74 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1sy9 h VAL 121 CO 0.06 0.52 0.53 -0.78 0.02 0.00 0.00 177.57 177.92 1sy9 h ASP 122 N 0.76 0.92 -0.87 0.57 1.82 -1.25 -2.35 116.42 116.03 1sy9 h ASP 122 Ca 0.06 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1sy9 h ASP 122 Cb 0.98 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.71 1sy9 h ASP 122 CO 0.09 0.66 0.57 -0.08 -1.61 0.00 0.00 179.24 178.88 1sy9 h GLU 123 N 1.09 1.14 -0.84 0.28 4.81 -1.38 -1.62 114.58 118.06 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 -0.26 -0.06 0.00 0.63 0.00 0.00 28.75 28.94 1sy9 h GLU 123 CO -0.07 0.76 0.54 0.52 -0.73 0.00 0.00 179.01 180.04 1sy9 h MET 124 N 1.18 0.62 -0.36 1.92 2.86 -1.34 0.12 114.93 119.93 1sy9 h MET 124 Ca 0.32 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.79 1sy9 h MET 124 Cb -0.13 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 1sy9 h MET 124 CO -0.07 0.41 -0.29 0.82 1.06 0.00 0.00 176.91 178.84 1sy9 h ILE 125 N 0.64 1.28 -1.00 -1.22 1.08 -1.25 -3.11 117.51 113.92 1sy9 h ILE 125 Ca 0.41 -1.42 0.01 0.00 -0.39 0.00 0.00 64.86 63.47 1sy9 h ILE 125 Cb 0.68 1.31 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 1sy9 h ILE 125 CO -0.17 0.47 0.66 -0.09 -0.69 0.00 0.00 178.15 178.33 1sy9 h ARG 126 N 0.65 1.32 -0.85 2.37 2.43 -0.35 0.15 114.38 120.11 1sy9 h ARG 126 Ca 0.08 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1sy9 h ARG 126 Cb 0.81 -0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1sy9 h ARG 126 CO 0.07 0.87 0.44 0.93 -1.51 0.00 0.00 179.97 180.77 1sy9 h GLU 127 N 1.36 1.19 -0.03 0.20 5.08 -1.38 -2.86 114.58 118.14 1sy9 h GLU 127 Ca 0.37 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1sy9 h GLU 127 Cb -0.16 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.86 1sy9 h GLU 127 CO -0.08 0.89 -0.02 0.00 -1.00 0.00 0.00 179.01 178.79 1sy9 n ALA 128 N -2.42 2.52 -3.47 3.43 0.00 -1.01 -4.71 120.51 114.86 1sy9 n ALA 128 Ca 0.09 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.44 1sy9 n ALA 128 Cb 0.11 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1sy9 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sy9 s ASP 129 N -2.02 6.75 0.16 0.00 2.15 0.51 -4.66 116.67 119.56 1sy9 s ASP 129 Ca 0.28 -3.63 -0.10 0.00 0.43 0.00 0.00 52.55 49.53 1sy9 s ASP 129 Cb 0.20 -2.08 0.02 0.00 -0.30 0.00 0.00 42.92 40.76 1sy9 s ASP 129 CO 0.32 -0.25 1.57 0.40 -0.17 0.00 0.00 175.17 177.03 1sy9 h ILE 130 N 3.86 1.27 -0.98 4.11 2.04 -1.84 -3.04 117.51 122.92 1sy9 h ILE 130 Ca 0.17 -1.34 0.01 0.00 1.00 0.00 0.00 64.86 64.69 1sy9 h ILE 130 Cb 0.85 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 1sy9 h ILE 130 CO 0.94 0.47 0.65 -2.24 0.00 0.00 0.00 178.15 177.97 1sy9 h ASP 131 N 0.89 1.13 0.00 1.72 2.03 -1.96 -3.47 116.42 116.76 1sy9 h ASP 131 Ca 0.12 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1sy9 h ASP 131 Cb 0.76 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1sy9 h ASP 131 CO 0.06 0.82 0.00 0.61 -1.03 0.00 0.00 179.24 179.70 1sy9 n GLY 132 N -1.38 0.84 0.00 7.15 0.00 -1.15 -4.96 105.19 105.69 1sy9 n GLY 132 Ca 0.12 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 0.41 0.07 0.00 1.61 5.75 -1.26 -4.90 116.55 118.23 1sy9 n ASP 133 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 1sy9 n ASP 133 Cb 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 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 0.73 2.93 6.12 0.00 -1.26 -5.05 105.19 110.17 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 -0.56 0.35 -0.37 1.61 -0.21 -1.26 -4.76 119.66 114.47 1sy9 s GLN 135 Ca 0.00 -0.14 -0.17 0.00 0.02 0.00 0.00 55.36 55.08 1sy9 s GLN 135 Cb 0.00 -0.35 -0.00 0.00 1.00 0.00 0.00 33.01 33.66 1sy9 s GLN 135 CO 0.00 0.07 0.43 0.08 -2.12 0.00 0.00 175.29 173.76 1sy9 s VAL 136 N -0.01 5.09 0.00 1.09 1.01 -1.22 -4.88 120.40 121.48 1sy9 s VAL 136 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1sy9 s VAL 136 Cb -0.03 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1sy9 s VAL 136 CO -0.00 -0.22 0.00 -0.46 0.00 0.00 0.00 175.10 174.41 1sy9 n ASN 137 N 5.57 0.00 -0.08 3.32 0.23 -1.26 -0.88 115.26 122.16 1sy9 n ASN 137 Ca -0.07 -0.69 -0.13 0.00 -0.53 0.00 0.00 54.58 53.15 1sy9 n ASN 137 Cb 0.49 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.48 0.71 -0.00 -2.53 5.03 -1.93 -2.73 116.97 115.04 1sy9 h TYR 138 Ca 0.00 -0.22 -0.00 0.00 2.58 0.00 0.00 58.73 61.09 1sy9 h TYR 138 Cb 0.00 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.13 1sy9 h TYR 138 CO 0.00 0.93 0.00 0.93 -1.32 0.00 0.00 178.16 178.71 1sy9 h GLU 139 N 0.29 0.01 -0.61 1.82 5.08 -1.94 -2.66 114.58 116.56 1sy9 h GLU 139 Ca 0.03 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1sy9 h GLU 139 Cb 0.83 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1sy9 h GLU 139 CO 0.06 0.07 0.20 0.93 -1.00 0.00 0.00 179.01 179.27 1sy9 h GLU 140 N -0.06 0.92 -0.27 2.33 5.08 -1.88 -2.62 114.58 118.08 1sy9 h GLU 140 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1sy9 h GLU 140 Cb 0.06 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1sy9 h GLU 140 CO -0.00 0.78 0.18 0.35 -1.00 0.00 0.00 179.01 179.32 1sy9 h PHE 141 N 0.89 0.34 -0.71 4.33 3.57 -1.32 -2.58 116.94 121.46 1sy9 h PHE 141 Ca 0.20 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1sy9 h PHE 141 Cb 0.24 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1sy9 h PHE 141 CO 0.02 0.22 0.17 0.28 -2.23 0.00 0.00 178.31 176.76 1sy9 h VAL 142 N 0.36 1.26 -0.04 1.41 2.07 -1.30 -2.83 116.25 117.20 1sy9 h VAL 142 Ca 0.10 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1sy9 h VAL 142 Cb -0.04 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1sy9 h VAL 142 CO -0.02 0.38 0.02 -0.61 0.02 0.00 0.00 177.57 177.36 1sy9 h GLN 143 N 1.08 0.05 -0.97 1.57 4.15 -1.21 0.48 115.11 120.26 1sy9 h GLN 143 Ca 0.22 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 1sy9 h GLN 143 Cb 0.38 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.02 1sy9 h GLN 143 CO 0.00 0.03 0.60 1.98 -1.93 0.00 0.00 178.83 179.51 1sy9 h MET 144 N 0.05 1.30 -0.48 1.69 4.05 -1.45 -2.34 114.93 117.75 1sy9 h MET 144 Ca 0.01 -0.11 -0.11 0.00 -0.28 0.00 0.00 59.70 59.21 1sy9 h MET 144 Cb -0.01 -0.28 -0.02 0.00 -0.80 0.00 0.00 31.60 30.50 1sy9 h MET 144 CO -0.00 0.90 -0.14 0.52 0.23 0.00 0.00 176.91 178.41 1sy9 h MET 145 N 1.33 0.92 -0.10 0.39 2.86 -1.22 -2.58 114.93 116.52 1sy9 h MET 145 Ca 0.35 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1sy9 h MET 145 Cb -0.08 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 1sy9 h MET 145 CO -0.07 1.00 0.08 1.15 1.06 0.00 0.00 176.91 180.13 1sy9 h THR 146 N 0.82 0.85 -3.87 2.22 2.02 -0.37 -3.41 112.91 111.17 1sy9 h THR 146 Ca 0.12 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.80 1sy9 h THR 146 Cb 0.68 0.94 0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1sy9 h THR 146 CO 0.05 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.43 1sy9 s ALA 147 N -4.97 3.31 0.00 6.16 0.00 -0.97 -5.11 121.76 120.18 1sy9 s ALA 147 Ca -0.05 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1sy9 s ALA 147 Cb 0.17 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1sy9 s ALA 147 CO 0.65 -0.29 0.32 1.63 0.00 0.00 0.00 175.76 178.08