#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 6.20 1.25 0.00 -1.08 -1.26 -5.00 116.67 116.78 1sy9 s ASP 2 Ca 0.00 -0.65 -0.19 0.00 -0.52 0.00 0.00 52.55 51.19 1sy9 s ASP 2 Cb 0.00 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.23 1sy9 s ASP 2 CO 0.00 -1.74 1.05 -1.58 0.52 0.00 0.00 175.17 173.42 1sy9 s GLN 3 N 5.36 -1.61 0.53 4.34 2.00 -1.26 -5.07 119.66 123.95 1sy9 s GLN 3 Ca 0.34 0.10 0.04 0.00 -2.00 0.00 0.00 55.36 53.83 1sy9 s GLN 3 Cb -0.09 -1.54 0.04 0.00 0.80 0.00 0.00 33.01 32.23 1sy9 s GLN 3 CO 0.12 -4.00 0.32 1.28 -0.50 0.00 0.00 175.29 172.50 1sy9 n LEU 4 N -5.00 0.00 -0.99 3.68 4.77 -1.26 -5.04 117.00 113.16 1sy9 n LEU 4 Ca 0.12 -2.84 0.08 0.00 -0.03 0.00 0.00 56.01 53.34 1sy9 n LEU 4 Cb 0.59 0.04 0.27 0.00 -2.33 0.00 0.00 43.42 41.99 1sy9 n LEU 4 CO 0.46 -0.55 0.72 0.41 -1.33 0.00 0.00 177.39 177.11 1sy9 n THR 5 N -1.64 2.31 0.17 -5.08 -1.04 -1.26 -4.64 114.28 103.10 1sy9 n THR 5 Ca -0.06 -1.82 0.09 0.00 -2.04 0.00 0.00 64.05 60.22 1sy9 n THR 5 Cb 0.61 -0.24 0.46 0.00 -1.82 0.00 0.00 70.33 69.34 1sy9 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sy9 n GLU 6 N -0.38 0.12 -0.11 -2.82 1.02 -1.26 -2.18 120.64 115.02 1sy9 n GLU 6 Ca 0.22 0.58 -0.10 0.00 -0.02 0.00 0.00 57.16 57.84 1sy9 n GLU 6 Cb 0.92 -1.86 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.55 -0.52 3.49 5.08 -2.02 -2.80 114.58 118.35 1sy9 h GLU 7 Ca 0.00 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 1sy9 h GLU 7 Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1sy9 h GLU 7 CO 0.00 0.62 -0.07 1.96 -1.00 0.00 0.00 179.01 180.52 1sy9 h GLN 8 N 0.39 0.95 -0.19 2.33 4.20 -1.83 -2.81 115.11 118.15 1sy9 h GLN 8 Ca 0.10 -0.32 0.06 0.00 0.06 0.00 0.00 58.65 58.55 1sy9 h GLN 8 Cb 0.33 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1sy9 h GLN 8 CO 0.00 0.98 0.15 0.82 -0.67 0.00 0.00 178.83 180.11 1sy9 h ILE 9 N 0.86 0.81 -0.85 2.54 2.04 -1.50 -1.29 117.51 120.11 1sy9 h ILE 9 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1sy9 h ILE 9 Cb 0.60 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1sy9 h ILE 9 CO 0.04 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.67 1sy9 h ALA 10 N 1.88 1.25 -0.66 1.87 0.00 -1.25 -2.55 119.26 119.80 1sy9 h ALA 10 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sy9 h ALA 10 Cb 0.39 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1sy9 h ALA 10 CO -0.00 0.62 0.44 0.93 0.00 0.00 0.00 179.25 181.24 1sy9 h GLU 11 N 1.18 0.87 0.00 0.00 5.08 -1.35 -1.57 114.58 118.78 1sy9 h GLU 11 Ca 0.30 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1sy9 h GLU 11 Cb -0.01 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1sy9 h GLU 11 CO -0.05 0.57 -0.02 0.74 -1.00 0.00 0.00 179.01 179.25 1sy9 h PHE 12 N 0.89 0.00 -0.29 4.33 0.04 -1.48 -2.47 116.94 117.96 1sy9 h PHE 12 Ca 0.24 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.89 1sy9 h PHE 12 Cb -0.10 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1sy9 h PHE 12 CO -0.03 0.02 -0.31 0.87 -0.60 0.00 0.00 178.31 178.26 1sy9 h LYS 13 N 0.00 0.73 0.00 1.51 1.79 -1.10 -2.10 116.57 117.39 1sy9 h LYS 13 Ca -0.00 -0.39 -0.07 0.00 -2.18 0.00 0.00 60.65 58.01 1sy9 h LYS 13 Cb 0.25 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1sy9 h LYS 13 CO 0.00 1.01 -0.33 0.93 -1.08 0.00 0.00 179.45 179.98 1sy9 h GLU 14 N 0.47 0.00 0.00 3.15 4.39 -1.40 -3.01 114.58 118.18 1sy9 h GLU 14 Ca 0.04 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.57 1sy9 h GLU 14 Cb 0.89 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1sy9 h GLU 14 CO 0.08 0.33 -0.91 0.00 -1.16 0.00 0.00 179.01 177.35 1sy9 h ALA 15 N 1.67 0.56 -0.88 3.43 0.00 -1.36 -3.35 119.26 119.32 1sy9 h ALA 15 Ca -0.00 -0.76 0.02 0.00 0.00 0.00 0.00 54.91 54.16 1sy9 h ALA 15 Cb 0.76 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1sy9 h ALA 15 CO 0.04 0.98 0.58 0.35 0.00 0.00 0.00 179.25 181.20 1sy9 h PHE 16 N 0.00 1.10 -0.78 0.00 3.04 -1.23 -2.19 116.94 116.88 1sy9 h PHE 16 Ca -0.05 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1sy9 h PHE 16 Cb 1.61 -0.37 -0.04 0.00 2.56 0.00 0.00 35.95 39.71 1sy9 h PHE 16 CO 0.00 0.67 0.43 0.77 -2.02 0.00 0.00 178.31 178.17 1sy9 h SER 17 N 1.17 0.95 -0.88 0.41 0.02 -1.70 -0.77 113.55 112.75 1sy9 h SER 17 Ca 0.33 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1sy9 h SER 17 Cb -0.10 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.15 1sy9 h SER 17 CO -0.08 0.76 0.58 0.25 -1.14 0.00 0.00 176.83 177.20 1sy9 h LEU 18 N 1.08 1.02 -0.35 5.07 5.85 -1.57 -2.41 115.31 123.99 1sy9 h LEU 18 Ca 0.28 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.78 1sy9 h LEU 18 Cb 0.01 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 1sy9 h LEU 18 CO -0.05 0.74 -0.78 -0.26 -0.34 0.00 0.00 178.44 177.75 1sy9 h PHE 19 N 1.20 0.51 -2.85 1.25 0.04 -1.19 -3.39 116.94 112.51 1sy9 h PHE 19 Ca 0.32 -0.24 -0.70 0.00 2.80 0.00 0.00 57.97 60.15 1sy9 h PHE 19 Cb -0.14 -0.07 -0.19 0.00 2.20 0.00 0.00 35.95 37.75 1sy9 h PHE 19 CO -0.01 1.01 0.40 0.34 -0.60 0.00 0.00 178.31 179.45 1sy9 s ASP 20 N -6.98 6.41 0.46 2.17 -1.08 -0.35 -4.81 116.67 112.48 1sy9 s ASP 20 Ca -0.05 -1.75 0.11 0.00 -0.52 0.00 0.00 52.55 50.34 1sy9 s ASP 20 Cb 0.10 -2.33 1.06 0.00 -1.46 0.00 0.00 42.92 40.29 1sy9 s ASP 20 CO 0.84 -1.07 2.10 0.11 0.52 0.00 0.00 175.17 177.68 1sy9 h LYS 21 N 8.92 0.28 0.00 4.34 1.79 -1.77 -1.29 116.57 128.84 1sy9 h LYS 21 Ca -0.09 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1sy9 h LYS 21 Cb 1.06 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1sy9 h LYS 21 CO 1.06 0.18 0.00 -0.25 -1.08 0.00 0.00 179.45 179.37 1sy9 n ASP 22 N -4.51 0.00 -2.11 0.86 8.00 -1.26 -4.88 116.55 112.66 1sy9 n ASP 22 Ca 0.00 0.21 -0.14 0.00 0.71 0.00 0.00 54.79 55.57 1sy9 n ASP 22 Cb 0.08 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 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 1.32 0.08 0.26 0.44 0.00 -0.49 -4.80 105.19 102.00 1sy9 n GLY 23 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.44 1.06 0.00 1.61 5.75 -1.26 -4.93 116.55 117.33 1sy9 n ASP 24 Ca -0.16 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 1sy9 n ASP 24 Cb 0.57 0.13 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 1.34 0.65 3.14 6.12 0.00 -1.26 -5.07 105.19 110.10 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 -2.15 0.03 -0.14 2.61 -4.23 -1.26 -4.34 115.64 106.15 1sy9 s THR 26 Ca 0.00 -0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.22 1sy9 s THR 26 Cb 0.00 -0.41 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 1sy9 s THR 26 CO 0.00 -0.14 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.30 1sy9 s ILE 27 N -0.50 4.13 0.03 2.99 1.01 -1.24 -4.88 121.20 122.74 1sy9 s ILE 27 Ca -0.06 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1sy9 s ILE 27 Cb -0.04 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1sy9 s ILE 27 CO 0.01 0.52 -0.07 0.42 0.00 0.00 0.00 174.94 175.83 1sy9 s THR 28 N -0.03 3.64 0.49 2.92 -4.23 -1.26 -3.99 115.64 113.18 1sy9 s THR 28 Ca 0.02 -0.88 0.36 0.00 -1.18 0.00 0.00 61.69 60.01 1sy9 s THR 28 Cb -0.13 -2.62 0.56 0.00 1.34 0.00 0.00 72.50 71.65 1sy9 s THR 28 CO 0.02 0.31 1.67 0.71 -0.54 0.00 0.00 174.62 176.80 1sy9 h THR 29 N 3.57 0.21 0.04 3.99 1.35 -1.92 0.28 112.91 120.42 1sy9 h THR 29 Ca -0.48 -0.03 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1sy9 h THR 29 Cb 1.17 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1sy9 h THR 29 CO 0.54 0.01 -0.02 0.11 -0.25 0.00 0.00 175.52 175.91 1sy9 h LYS 30 N 0.08 -0.06 0.37 4.72 1.57 -1.99 -1.65 116.57 119.61 1sy9 h LYS 30 Ca 0.77 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.53 1sy9 h LYS 30 Cb 2.70 0.01 0.00 0.00 0.08 0.00 0.00 32.23 35.03 1sy9 h LYS 30 CO -0.20 0.20 -0.18 0.93 -0.57 0.00 0.00 179.45 179.64 1sy9 h GLU 31 N -0.31 -0.48 -0.24 3.15 5.08 -0.86 -2.64 114.58 118.28 1sy9 h GLU 31 Ca -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1sy9 h GLU 31 Cb 0.28 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1sy9 h GLU 31 CO 0.01 -0.32 0.16 1.25 -1.00 0.00 0.00 179.01 179.11 1sy9 h LEU 32 N -0.50 0.28 -1.87 1.33 6.46 -1.47 -1.93 115.31 117.61 1sy9 h LEU 32 Ca -0.05 -0.01 0.22 0.00 -0.12 0.00 0.00 57.88 57.92 1sy9 h LEU 32 Cb 0.38 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 1sy9 h LEU 32 CO 0.08 0.20 0.57 1.23 -0.62 0.00 0.00 178.44 179.90 1sy9 h GLY 33 N 0.33 0.24 1.06 3.75 0.00 -0.90 0.22 103.07 107.76 1sy9 h GLY 33 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1sy9 h GLY 33 CO -0.02 0.00 0.25 -0.84 0.00 0.00 0.00 176.54 175.94 1sy9 h THR 34 N 0.11 1.26 -0.59 4.70 2.02 -1.39 -2.29 112.91 116.73 1sy9 h THR 34 Ca 0.40 -0.90 -0.11 0.00 0.77 0.00 0.00 66.41 66.57 1sy9 h THR 34 Cb 1.40 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1sy9 h THR 34 CO -0.05 0.36 -0.04 0.58 0.37 0.00 0.00 175.52 176.73 1sy9 h VAL 35 N 1.13 1.27 -1.01 3.16 2.07 -0.72 -2.97 116.25 119.18 1sy9 h VAL 35 Ca 0.25 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1sy9 h VAL 35 Cb 0.29 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1sy9 h VAL 35 CO -0.01 0.43 0.67 0.24 0.02 0.00 0.00 177.57 178.92 1sy9 h MET 36 N 0.96 1.33 -0.66 1.57 2.86 -0.94 -2.08 114.93 117.97 1sy9 h MET 36 Ca 0.16 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1sy9 h MET 36 Cb 0.61 -0.30 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1sy9 h MET 36 CO 0.04 0.88 0.35 0.00 1.06 0.00 0.00 176.91 179.23 1sy9 h ARG 37 N 1.37 0.93 0.00 1.72 3.08 -0.95 -0.80 114.38 119.72 1sy9 h ARG 37 Ca 0.37 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1sy9 h ARG 37 Cb -0.16 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.71 1sy9 h ARG 37 CO -0.08 0.71 -0.11 1.03 -1.07 0.00 0.00 179.97 180.45 1sy9 h SER 38 N 0.90 0.00 1.20 7.04 0.87 -1.27 -1.34 113.55 120.95 1sy9 h SER 38 Ca 0.23 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1sy9 h SER 38 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1sy9 h SER 38 CO -0.03 0.11 -0.84 0.25 -0.53 0.00 0.00 176.83 175.79 1sy9 h LEU 39 N 0.00 0.00 0.00 2.23 5.85 -0.68 -3.47 115.31 119.23 1sy9 h LEU 39 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sy9 h LEU 39 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1sy9 h LEU 39 CO 0.01 0.32 0.00 0.61 -0.34 0.00 0.00 178.44 179.04 1sy9 n GLY 40 N 1.25 -0.90 3.82 3.75 0.00 -0.42 -5.05 105.19 107.64 1sy9 n GLY 40 Ca -0.02 0.40 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 2.05 -0.18 1.61 -2.07 -0.51 -4.78 119.66 115.78 1sy9 s GLN 41 Ca 0.00 -1.27 -0.10 0.00 -1.82 0.00 0.00 55.36 52.17 1sy9 s GLN 41 Cb 0.00 0.61 -0.05 0.00 -1.09 0.00 0.00 33.01 32.48 1sy9 s GLN 41 CO 0.00 -0.96 0.15 1.21 -1.32 0.00 0.00 175.29 174.37 1sy9 s ASN 42 N -3.04 6.27 0.00 12.60 2.47 -1.26 -2.22 114.94 129.75 1sy9 s ASN 42 Ca 0.14 0.30 0.00 0.00 0.42 0.00 0.00 52.86 53.73 1sy9 s ASN 42 Cb -0.05 -2.10 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 1sy9 s ASN 42 CO 0.10 0.21 0.00 -0.81 -3.72 0.00 0.00 177.10 172.88 1sy9 n PRO 43 N 3.24 2.72 -4.55 0.43 -0.04 -1.26 -5.00 135.00 130.54 1sy9 n PRO 43 Ca -0.16 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 1sy9 n PRO 43 Cb 0.53 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.84 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 1.09 0.59 0.52 -4.23 -1.26 -4.99 115.64 107.36 1sy9 s THR 44 Ca 0.00 -0.70 0.29 0.00 -1.18 0.00 0.00 61.69 60.10 1sy9 s THR 44 Cb 0.00 -0.93 0.38 0.00 1.34 0.00 0.00 72.50 73.29 1sy9 s THR 44 CO 0.00 0.23 1.86 -0.33 -0.54 0.00 0.00 174.62 175.83 1sy9 h GLU 45 N 5.56 0.00 0.19 3.99 5.08 -1.96 0.99 114.58 128.43 1sy9 h GLU 45 Ca -0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1sy9 h GLU 45 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1sy9 h GLU 45 CO 0.48 0.00 -0.09 0.00 -1.00 0.00 0.00 179.01 178.40 1sy9 h ALA 46 N 1.39 -0.25 -0.57 3.43 0.00 -2.00 -2.83 119.26 118.44 1sy9 h ALA 46 Ca 0.23 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1sy9 h ALA 46 Cb 1.30 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1sy9 h ALA 46 CO -0.00 -0.33 -0.07 1.49 0.00 0.00 0.00 179.25 180.34 1sy9 h GLU 47 N -0.88 1.05 -0.71 0.00 4.81 -1.42 -2.62 114.58 114.81 1sy9 h GLU 47 Ca -0.03 -0.37 0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1sy9 h GLU 47 Cb 0.51 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1sy9 h GLU 47 CO 0.04 1.07 0.47 -0.07 -0.73 0.00 0.00 179.01 179.79 1sy9 h LEU 48 N 0.94 0.50 -0.70 1.64 3.38 0.83 -1.36 115.31 120.54 1sy9 h LEU 48 Ca 0.15 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1sy9 h LEU 48 Cb 0.64 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1sy9 h LEU 48 CO 0.04 0.29 -0.25 -0.61 0.09 0.00 0.00 178.44 178.01 1sy9 h GLN 49 N 0.55 0.73 -0.59 1.13 -0.00 -1.20 -3.06 115.11 112.68 1sy9 h GLN 49 Ca 0.33 -0.30 -0.08 0.00 -0.00 0.00 0.00 58.65 58.60 1sy9 h GLN 49 Cb 0.54 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.97 1sy9 h GLN 49 CO -0.11 0.91 0.06 0.22 0.00 0.00 0.00 178.83 179.90 1sy9 h ASP 50 N 0.63 0.94 -0.41 -0.69 1.82 -1.19 -2.08 116.42 115.45 1sy9 h ASP 50 Ca 0.08 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1sy9 h ASP 50 Cb 0.75 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 1sy9 h ASP 50 CO 0.06 0.96 0.27 0.24 -1.61 0.00 0.00 179.24 179.16 1sy9 h MET 51 N 0.91 0.54 -0.15 0.28 2.86 -1.41 -2.31 114.93 115.65 1sy9 h MET 51 Ca 0.18 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1sy9 h MET 51 Cb 0.45 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1sy9 h MET 51 CO 0.02 0.35 -0.33 0.82 1.06 0.00 0.00 176.91 178.83 1sy9 h ILE 52 N 0.55 1.28 -0.68 -1.22 2.04 -1.46 -3.12 117.51 114.90 1sy9 h ILE 52 Ca 0.15 -1.35 0.01 0.00 1.00 0.00 0.00 64.86 64.66 1sy9 h ILE 52 Cb -0.06 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1sy9 h ILE 52 CO -0.03 0.41 0.45 -1.13 0.00 0.00 0.00 178.15 177.85 1sy9 h ASN 53 N 0.27 0.78 0.54 1.72 -1.24 -0.81 0.68 115.58 117.51 1sy9 h ASN 53 Ca 0.03 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 56.97 1sy9 h ASN 53 Cb 0.72 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 1sy9 h ASN 53 CO 0.05 0.56 -0.25 -0.33 -1.29 0.00 0.00 177.43 176.17 1sy9 h GLU 54 N 0.92 0.00 -0.00 6.67 4.39 -1.45 -2.92 114.58 122.18 1sy9 h GLU 54 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 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 -0.05 0.25 -0.88 0.28 -1.16 0.00 0.00 179.01 177.45 1sy9 n VAL 55 N -3.72 0.00 -2.13 3.13 0.31 -0.74 -4.88 118.33 110.30 1sy9 n VAL 55 Ca -0.01 -0.06 -0.40 0.00 -0.01 0.00 0.00 64.34 63.86 1sy9 n VAL 55 Cb 0.36 1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 34.32 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 -2.88 5.62 0.17 4.52 1.01 0.23 -4.83 116.67 120.50 1sy9 s ASP 56 Ca 0.10 0.50 -0.08 0.00 0.71 0.00 0.00 52.55 53.78 1sy9 s ASP 56 Cb 0.16 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.61 1sy9 s ASP 56 CO 0.80 -2.07 1.53 0.00 0.21 0.00 0.00 175.17 175.64 1sy9 h ALA 57 N 13.50 0.69 0.01 5.23 0.00 -1.88 -3.25 119.26 133.56 1sy9 h ALA 57 Ca -0.28 -0.43 -0.31 0.00 0.00 0.00 0.00 54.91 53.89 1sy9 h ALA 57 Cb 1.14 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1sy9 h ALA 57 CO 1.17 0.67 -1.81 -0.40 0.00 0.00 0.00 179.25 178.88 1sy9 n ASP 58 N -4.06 0.85 0.00 0.00 5.75 -1.26 -4.99 116.55 112.84 1sy9 n ASP 58 Ca -0.01 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1sy9 n ASP 58 Cb 0.51 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 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 1.61 0.75 0.15 6.12 0.00 -1.23 -4.97 105.19 107.62 1sy9 n GLY 59 Ca -0.20 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 0.27 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.98 1sy9 h ASN 60 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 56.30 56.18 1sy9 h ASN 60 Cb 0.05 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.22 1sy9 h ASN 60 CO 0.00 0.91 0.00 0.61 0.07 0.00 0.00 177.43 179.02 1sy9 n GLY 61 N 0.56 0.93 3.23 9.14 0.00 -1.26 -5.12 105.19 112.67 1sy9 n GLY 61 Ca -0.03 0.00 -0.13 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 -1.93 0.32 -0.25 2.61 -4.23 -1.26 -4.92 115.64 105.98 1sy9 s THR 62 Ca 0.00 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.45 1sy9 s THR 62 Cb 0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 1sy9 s THR 62 CO 0.00 -0.21 0.10 -0.63 -0.54 0.00 0.00 174.62 173.34 1sy9 s ILE 63 N -3.91 4.57 0.49 2.99 1.01 -1.26 -4.87 121.20 120.22 1sy9 s ILE 63 Ca 0.32 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.93 1sy9 s ILE 63 Cb 0.07 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.42 1sy9 s ILE 63 CO 0.08 0.33 0.68 -1.81 0.00 0.00 0.00 174.94 174.22 1sy9 s ASP 64 N 1.56 5.46 0.22 3.58 1.01 -1.26 -3.71 116.67 123.54 1sy9 s ASP 64 Ca 0.06 -0.21 -0.13 0.00 0.71 0.00 0.00 52.55 52.98 1sy9 s ASP 64 Cb -0.15 -0.78 0.26 0.00 1.01 0.00 0.00 42.92 43.26 1sy9 s ASP 64 CO 0.05 -0.96 1.61 -0.26 0.21 0.00 0.00 175.17 175.83 1sy9 h PHE 65 N 0.34 -0.42 -0.05 4.23 0.04 -1.99 0.11 116.94 119.21 1sy9 h PHE 65 Ca -0.41 0.06 -0.15 0.00 2.80 0.00 0.00 57.97 60.28 1sy9 h PHE 65 Cb 1.29 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.71 1sy9 h PHE 65 CO 0.38 -0.31 -0.63 -1.00 -0.60 0.00 0.00 178.31 176.16 1sy9 h PRO 66 N -0.01 0.17 -0.28 1.51 0.13 -1.98 -3.07 132.00 128.47 1sy9 h PRO 66 Ca 0.33 -0.12 -0.19 0.00 -0.87 0.00 0.00 66.00 65.14 1sy9 h PRO 66 Cb 0.51 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1sy9 h PRO 66 CO -0.71 0.74 -0.56 1.49 -0.23 0.00 0.00 178.00 178.73 1sy9 h GLU 67 N 0.12 0.88 -0.91 0.86 4.81 -1.57 -3.06 114.58 115.71 1sy9 h GLU 67 Ca -0.01 -0.57 -0.02 0.00 -0.13 0.00 0.00 59.36 58.63 1sy9 h GLU 67 Cb 1.13 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 1sy9 h GLU 67 CO 0.09 1.20 0.50 0.35 -0.73 0.00 0.00 179.01 180.43 1sy9 h PHE 68 N 0.67 1.24 -0.52 0.92 3.04 -0.84 -2.95 116.94 118.51 1sy9 h PHE 68 Ca 0.01 -0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 1sy9 h PHE 68 Cb 1.18 -0.40 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 1sy9 h PHE 68 CO 0.07 0.86 -0.17 -0.07 -2.02 0.00 0.00 178.31 176.98 1sy9 h LEU 69 N 1.27 1.04 -0.88 0.59 3.38 -1.53 -2.79 115.31 116.39 1sy9 h LEU 69 Ca 0.32 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1sy9 h LEU 69 Cb 0.02 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1sy9 h LEU 69 CO -0.05 1.18 0.46 0.71 0.09 0.00 0.00 178.44 180.83 1sy9 h THR 70 N 0.90 1.26 -0.44 0.22 1.35 -1.42 -2.62 112.91 112.16 1sy9 h THR 70 Ca 0.13 -0.68 -0.12 0.00 -0.55 0.00 0.00 66.41 65.19 1sy9 h THR 70 Cb 0.75 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 1sy9 h THR 70 CO 0.06 0.30 -0.20 -0.03 -0.25 0.00 0.00 175.52 175.40 1sy9 h MET 71 N 1.24 0.86 -0.05 4.72 1.85 -1.47 -2.42 114.93 119.67 1sy9 h MET 71 Ca 0.31 -0.35 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1sy9 h MET 71 Cb 0.06 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.05 1sy9 h MET 71 CO -0.05 0.98 0.03 1.98 -0.40 0.00 0.00 176.91 179.46 1sy9 h MET 72 N 0.75 0.07 0.00 0.39 -1.53 -1.19 -0.68 114.93 112.74 1sy9 h MET 72 Ca 0.11 -0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.27 1sy9 h MET 72 Cb 0.73 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.75 1sy9 h MET 72 CO 0.06 0.05 -0.45 0.00 0.14 0.00 0.00 176.91 176.70 1sy9 h ALA 73 N 1.02 1.15 -0.23 0.39 0.00 -1.50 -2.71 119.26 117.37 1sy9 h ALA 73 Ca 0.02 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 1sy9 h ALA 73 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sy9 h ALA 73 CO -0.00 0.57 -0.58 -0.09 0.00 0.00 0.00 179.25 179.14 1sy9 h ARG 74 N 0.00 0.79 0.00 0.00 9.65 -1.08 -2.83 114.38 120.91 1sy9 h ARG 74 Ca -0.00 -0.55 -0.00 0.00 -1.10 0.00 0.00 59.98 58.32 1sy9 h ARG 74 Cb 0.85 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1sy9 h ARG 74 CO 0.06 1.17 -0.00 0.87 2.80 0.00 0.00 179.97 184.87 1sy9 h LYS 75 N 0.54 -0.01 -1.01 0.20 1.79 -1.06 -3.03 116.57 114.00 1sy9 h LYS 75 Ca -0.01 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1sy9 h LYS 75 Cb 1.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 1sy9 h LYS 75 CO 0.13 0.45 0.67 0.52 -1.08 0.00 0.00 179.45 180.13 1sy9 h MET 76 N -0.46 1.32 0.53 3.15 2.86 -1.59 -1.86 114.93 118.88 1sy9 h MET 76 Ca -0.00 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1sy9 h MET 76 Cb 0.46 -0.30 0.01 0.00 0.06 0.00 0.00 31.60 31.83 1sy9 h MET 76 CO 0.00 0.87 -0.26 -0.22 1.06 0.00 0.00 176.91 178.37 1sy9 h LYS 77 N 1.36 -0.69 0.00 1.72 3.64 -1.53 -2.41 116.57 118.66 1sy9 h LYS 77 Ca 0.37 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1sy9 h LYS 77 Cb -0.15 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1sy9 h LYS 77 CO -0.08 -0.44 0.00 0.22 -2.27 0.00 0.00 179.45 176.88 1sy9 h ASP 78 N -0.75 0.00 -5.35 4.20 1.82 -1.45 -3.43 116.42 111.45 1sy9 h ASP 78 Ca -0.07 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.31 1sy9 h ASP 78 Cb 0.56 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.59 1sy9 h ASP 78 CO 0.12 0.00 -0.03 0.41 -1.61 0.00 0.00 179.24 178.13 1sy9 n THR 79 N -3.08 0.00 -5.12 2.25 -1.04 -0.71 -5.12 114.28 101.46 1sy9 n THR 79 Ca -0.01 -1.02 -0.29 0.00 -2.04 0.00 0.00 64.05 60.69 1sy9 n THR 79 Cb 0.19 -0.75 -0.16 0.00 -1.82 0.00 0.00 70.33 67.79 1sy9 n THR 79 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1sy9 s ASP 80 N -2.91 2.81 0.55 8.00 1.01 -1.26 -4.89 116.67 119.98 1sy9 s ASP 80 Ca 0.32 -0.45 0.25 0.00 0.71 0.00 0.00 52.55 53.38 1sy9 s ASP 80 Cb -0.03 -0.30 1.45 0.00 1.01 0.00 0.00 42.92 45.06 1sy9 s ASP 80 CO 0.20 0.28 2.04 -1.28 0.21 0.00 0.00 175.17 176.62 1sy9 h SER 81 N 5.42 0.00 -0.23 0.27 0.87 -1.97 0.18 113.55 118.09 1sy9 h SER 81 Ca -0.42 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.09 1sy9 h SER 81 Cb 1.13 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1sy9 h SER 81 CO 0.47 0.00 0.01 -0.33 -0.53 0.00 0.00 176.83 176.44 1sy9 h GLU 82 N 0.00 0.51 -0.24 2.24 5.08 -2.00 -2.44 114.58 117.73 1sy9 h GLU 82 Ca 0.17 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1sy9 h GLU 82 Cb 0.75 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1sy9 h GLU 82 CO -0.00 0.53 -0.47 0.93 -1.00 0.00 0.00 179.01 179.00 1sy9 h GLU 83 N 0.49 0.74 0.00 2.33 5.08 -1.06 -2.69 114.58 119.47 1sy9 h GLU 83 Ca 0.11 -0.48 -0.10 0.00 -1.00 0.00 0.00 59.36 57.89 1sy9 h GLU 83 Cb 0.31 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1sy9 h GLU 83 CO 0.01 1.10 -0.47 1.05 -1.00 0.00 0.00 179.01 179.70 1sy9 h GLU 84 N 0.47 0.00 -0.15 2.33 4.11 -1.43 -2.76 114.58 117.15 1sy9 h GLU 84 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.38 1sy9 h GLU 84 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1sy9 h GLU 84 CO 0.11 0.47 -0.12 0.82 0.07 0.00 0.00 179.01 180.35 1sy9 h ILE 85 N 0.00 1.33 -1.00 -1.06 2.04 -1.42 -2.40 117.51 115.00 1sy9 h ILE 85 Ca -0.00 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.62 1sy9 h ILE 85 Cb 0.86 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 1sy9 h ILE 85 CO 0.06 0.37 0.66 0.03 0.00 0.00 0.00 178.15 179.27 1sy9 h ARG 86 N 0.00 1.31 -0.32 2.37 3.08 -1.38 -1.90 114.38 117.55 1sy9 h ARG 86 Ca 0.03 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1sy9 h ARG 86 Cb 0.64 -0.30 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1sy9 h ARG 86 CO 0.03 0.87 -0.04 0.93 -1.07 0.00 0.00 179.97 180.68 1sy9 h GLU 87 N 1.35 0.59 -0.47 0.04 5.08 -1.46 -2.71 114.58 116.99 1sy9 h GLU 87 Ca 0.37 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1sy9 h GLU 87 Cb -0.14 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1sy9 h GLU 87 CO -0.09 0.75 0.13 0.00 -1.00 0.00 0.00 179.01 178.80 1sy9 h ALA 88 N 0.82 0.62 -0.21 3.43 0.00 -1.16 -2.47 119.26 120.29 1sy9 h ALA 88 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sy9 h ALA 88 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1sy9 h ALA 88 CO 0.03 0.29 0.13 0.35 0.00 0.00 0.00 179.25 180.05 1sy9 h PHE 89 N 0.63 0.25 -0.41 0.00 3.04 -1.36 -2.18 116.94 116.91 1sy9 h PHE 89 Ca 0.15 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.13 1sy9 h PHE 89 Cb 0.31 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 1sy9 h PHE 89 CO 0.02 0.16 0.28 -0.09 -2.02 0.00 0.00 178.31 176.65 1sy9 h ARG 90 N 0.27 0.43 -0.27 1.11 2.43 -1.37 -0.31 114.38 116.68 1sy9 h ARG 90 Ca 0.08 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1sy9 h ARG 90 Cb -0.03 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1sy9 h ARG 90 CO -0.02 0.29 -0.30 0.28 -1.51 0.00 0.00 179.97 178.71 1sy9 h VAL 91 N 0.45 1.31 -0.34 0.20 2.07 -0.93 -3.22 116.25 115.79 1sy9 h VAL 91 Ca 0.17 -1.47 -0.16 0.00 0.82 0.00 0.00 66.70 66.05 1sy9 h VAL 91 Cb 0.11 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1sy9 h VAL 91 CO -0.04 0.47 -0.42 -0.26 0.02 0.00 0.00 177.57 177.33 1sy9 h PHE 92 N 0.39 1.04 -0.28 1.57 -1.00 -0.85 -3.33 116.94 114.48 1sy9 h PHE 92 Ca 0.04 -0.32 -0.70 0.00 2.81 0.00 0.00 57.97 59.80 1sy9 h PHE 92 Cb 0.87 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 40.16 1sy9 h PHE 92 CO 0.08 1.13 2.81 -3.47 -1.61 0.00 0.00 178.31 177.24 1sy9 n ASP 93 N -4.04 4.19 -0.23 2.17 2.03 -0.18 -4.72 116.55 115.76 1sy9 n ASP 93 Ca -0.02 -2.86 -0.08 0.00 0.52 0.00 0.00 54.79 52.34 1sy9 n ASP 93 Cb 0.56 -1.68 0.03 0.00 -0.72 0.00 0.00 41.12 39.31 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 6.57 1.05 0.00 -0.67 1.57 -1.75 -2.45 116.57 120.89 1sy9 h LYS 94 Ca 0.53 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1sy9 h LYS 94 Cb 0.72 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1sy9 h LYS 94 CO 1.75 0.95 0.00 0.38 -0.57 0.00 0.00 179.45 181.96 1sy9 h ASP 95 N 0.97 0.00 -5.65 0.86 2.03 -1.94 -3.48 116.42 109.21 1sy9 h ASP 95 Ca 0.20 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.24 1sy9 h ASP 95 Cb 0.39 0.00 0.14 0.00 -0.83 0.00 0.00 39.33 39.03 1sy9 h ASP 95 CO 0.01 0.00 -0.77 0.61 -1.03 0.00 0.00 179.24 178.06 1sy9 n GLY 96 N 0.76 -1.14 0.00 7.15 0.00 -0.92 -4.94 105.19 106.10 1sy9 n GLY 96 Ca 0.04 0.54 0.06 0.00 0.00 0.00 0.00 46.02 46.66 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 -2.89 0.69 0.00 1.61 6.94 -1.26 -4.99 115.26 115.37 1sy9 n ASN 97 Ca -0.07 -0.76 0.00 0.00 -0.02 0.00 0.00 54.58 53.73 1sy9 n ASN 97 Cb 0.60 1.04 0.00 0.00 -2.36 0.00 0.00 39.78 39.06 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 1.33 1.69 3.33 4.83 0.00 -1.26 -5.07 105.19 110.04 1sy9 n GLY 98 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1sy9 n GLY 98 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sy9 s TYR 99 N -1.72 1.35 0.00 1.61 1.13 -1.26 -3.38 117.35 115.08 1sy9 s TYR 99 Ca 0.00 -1.44 0.00 0.00 -1.41 0.00 0.00 57.07 54.22 1sy9 s TYR 99 Cb 0.00 -0.46 0.00 0.00 -1.10 0.00 0.00 41.96 40.40 1sy9 s TYR 99 CO 0.00 -0.89 0.00 -0.89 -2.51 0.00 0.00 175.55 171.26 1sy9 n ILE 100 N -0.50 0.00 0.00 -3.49 5.41 -1.15 -4.84 119.36 114.79 1sy9 n ILE 100 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1sy9 n ILE 100 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 1sy9 n ILE 100 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1sy9 n SER 101 N 0.00 0.00 -0.27 4.38 7.64 -1.26 -4.88 113.62 119.23 1sy9 n SER 101 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1sy9 n SER 101 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1sy9 n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sy9 h ALA 102 N 0.00 0.95 -0.02 -0.43 0.00 -1.93 -1.48 119.26 116.35 1sy9 h ALA 102 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1sy9 h ALA 102 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1sy9 h ALA 102 CO 0.00 0.44 -0.50 0.00 0.00 0.00 0.00 179.25 179.19 1sy9 h ALA 103 N 1.22 1.12 -0.35 0.00 0.00 -1.99 -2.75 119.26 116.52 1sy9 h ALA 103 Ca 0.26 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1sy9 h ALA 103 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sy9 h ALA 103 CO -0.05 0.64 -0.41 0.93 0.00 0.00 0.00 179.25 180.36 1sy9 h GLU 104 N 0.05 0.86 -0.15 0.00 5.08 -1.68 -2.39 114.58 116.35 1sy9 h GLU 104 Ca -0.00 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1sy9 h GLU 104 Cb 0.90 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1sy9 h GLU 104 CO 0.07 1.11 -0.04 1.25 -1.00 0.00 0.00 179.01 180.40 1sy9 h LEU 105 N 0.70 0.29 -1.03 1.33 6.46 -1.23 -3.18 115.31 118.65 1sy9 h LEU 105 Ca 0.05 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.43 1sy9 h LEU 105 Cb 1.00 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 1sy9 h LEU 105 CO 0.10 0.60 0.48 -0.09 -0.62 0.00 0.00 178.44 178.90 1sy9 h ARG 106 N -0.02 1.15 -1.00 1.25 2.43 -1.51 -2.71 114.38 113.97 1sy9 h ARG 106 Ca 0.04 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1sy9 h ARG 106 Cb 0.47 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1sy9 h ARG 106 CO 0.02 0.82 0.66 1.25 -1.51 0.00 0.00 179.97 181.21 1sy9 h HIS 107 N 1.16 1.26 -0.03 2.20 2.76 -1.41 -2.31 115.15 118.78 1sy9 h HIS 107 Ca 0.30 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.43 1sy9 h HIS 107 Cb -0.01 -0.43 0.00 0.00 1.55 0.00 0.00 27.41 28.53 1sy9 h HIS 107 CO 0.01 0.80 -0.22 0.28 -1.30 0.00 0.00 177.93 177.49 1sy9 h VAL 108 N 1.36 1.49 -0.73 5.26 2.07 -1.51 -2.20 116.25 121.99 1sy9 h VAL 108 Ca 0.37 -1.76 0.03 0.00 0.82 0.00 0.00 66.70 66.16 1sy9 h VAL 108 Cb -0.15 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 1sy9 h VAL 108 CO -0.08 0.49 0.46 0.24 0.02 0.00 0.00 177.57 178.70 1sy9 h MET 109 N -0.38 0.88 -0.46 1.57 2.07 -1.43 0.32 114.93 117.51 1sy9 h MET 109 Ca -0.02 -0.05 -0.10 0.00 -2.07 0.00 0.00 59.70 57.46 1sy9 h MET 109 Cb 0.91 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 30.43 1sy9 h MET 109 CO 0.05 0.58 -0.10 1.15 1.07 0.00 0.00 176.91 179.66 1sy9 h THR 110 N 0.91 1.27 -0.16 2.22 2.02 -1.50 -1.97 112.91 115.70 1sy9 h THR 110 Ca 0.29 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1sy9 h THR 110 Cb -0.00 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1sy9 h THR 110 CO -0.10 0.41 -0.06 -1.13 0.37 0.00 0.00 175.52 175.01 1sy9 h ASN 111 N 0.71 0.21 0.06 4.18 -0.73 -0.71 -2.17 115.58 117.13 1sy9 h ASN 111 Ca 0.12 -0.03 -0.14 0.00 1.87 0.00 0.00 56.30 58.12 1sy9 h ASN 111 Cb 0.64 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 1sy9 h ASN 111 CO 0.04 0.31 -0.46 -0.07 -0.37 0.00 0.00 177.43 176.89 1sy9 h LEU 112 N 0.23 0.51 0.00 0.34 3.38 0.13 -3.47 115.31 116.43 1sy9 h LEU 112 Ca 0.05 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1sy9 h LEU 112 Cb 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sy9 h LEU 112 CO 0.01 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.05 1sy9 n GLY 113 N 0.04 1.81 3.30 0.83 0.00 -0.82 -4.97 105.19 105.38 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 0.00 2.27 -0.25 1.61 2.02 -0.79 -5.03 118.70 118.53 1sy9 s GLU 114 Ca 0.00 -0.92 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 1sy9 s GLU 114 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 1sy9 s GLU 114 CO 0.00 0.50 0.11 0.15 0.02 0.00 0.00 175.26 176.04 1sy9 s LYS 115 N -0.45 3.83 0.09 1.61 -0.14 -1.26 -3.75 119.74 119.66 1sy9 s LYS 115 Ca 0.05 -0.39 0.02 0.00 -1.36 0.00 0.00 55.97 54.30 1sy9 s LYS 115 Cb -0.11 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.57 1sy9 s LYS 115 CO 0.01 -0.09 -0.08 -0.51 -0.76 0.00 0.00 175.35 173.92 1sy9 s LEU 116 N 1.41 2.43 0.64 3.17 1.43 -1.26 -5.13 118.68 121.37 1sy9 s LEU 116 Ca 0.06 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1sy9 s LEU 116 Cb -0.15 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 1sy9 s LEU 116 CO 0.06 -0.35 1.04 0.42 0.23 0.00 0.00 176.35 177.75 1sy9 s THR 117 N -2.79 4.39 0.53 5.49 -4.23 -1.26 -4.89 115.64 112.87 1sy9 s THR 117 Ca 0.05 0.82 0.19 0.00 -1.18 0.00 0.00 61.69 61.56 1sy9 s THR 117 Cb -0.00 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.48 1sy9 s THR 117 CO -0.02 -0.98 2.12 -0.78 -0.54 0.00 0.00 174.62 174.42 1sy9 h ASP 118 N -0.36 0.00 0.31 3.99 1.82 -2.01 0.31 116.42 120.47 1sy9 h ASP 118 Ca -0.44 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.13 1sy9 h ASP 118 Cb 1.20 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 1sy9 h ASP 118 CO 0.60 0.00 -0.30 -0.33 -1.61 0.00 0.00 179.24 177.59 1sy9 h GLU 119 N 0.00 0.00 -0.47 0.28 5.08 -2.00 -1.84 114.58 115.63 1sy9 h GLU 119 Ca 0.06 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1sy9 h GLU 119 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1sy9 h GLU 119 CO -0.00 0.30 -0.03 1.49 -1.00 0.00 0.00 179.01 179.77 1sy9 h GLU 120 N 0.00 0.81 -0.37 2.33 4.81 -0.74 -2.51 114.58 118.91 1sy9 h GLU 120 Ca -0.00 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 58.82 1sy9 h GLU 120 Cb 0.54 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1sy9 h GLU 120 CO 0.04 0.84 -0.42 0.28 -0.73 0.00 0.00 179.01 179.02 1sy9 h VAL 121 N 0.75 1.27 -0.43 0.32 2.07 -1.18 -3.06 116.25 115.99 1sy9 h VAL 121 Ca 0.14 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1sy9 h VAL 121 Cb 0.50 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1sy9 h VAL 121 CO 0.03 0.53 0.28 -0.78 0.02 0.00 0.00 177.57 177.65 1sy9 h ASP 122 N 0.75 0.49 -1.01 0.57 1.82 -1.12 -2.34 116.42 115.59 1sy9 h ASP 122 Ca 0.05 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1sy9 h ASP 122 Cb 1.01 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 40.85 1sy9 h ASP 122 CO 0.10 0.36 0.67 -0.08 -1.61 0.00 0.00 179.24 178.68 1sy9 h GLU 123 N 0.58 1.32 -0.92 0.28 4.81 -1.46 -1.28 114.58 117.90 1sy9 h GLU 123 Ca 0.16 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1sy9 h GLU 123 Cb -0.07 -0.30 -0.07 0.00 0.63 0.00 0.00 28.75 28.95 1sy9 h GLU 123 CO -0.03 0.87 0.59 0.52 -0.73 0.00 0.00 179.01 180.23 1sy9 h MET 124 N 1.36 0.87 -0.60 1.92 2.86 -1.32 0.21 114.93 120.23 1sy9 h MET 124 Ca 0.37 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.86 1sy9 h MET 124 Cb -0.15 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.30 1sy9 h MET 124 CO -0.08 0.57 -0.01 0.82 1.06 0.00 0.00 176.91 179.27 1sy9 h ILE 125 N 0.89 1.27 -0.90 -1.22 1.08 -1.05 -3.00 117.51 114.58 1sy9 h ILE 125 Ca 0.44 -1.17 0.05 0.00 -0.39 0.00 0.00 64.86 63.80 1sy9 h ILE 125 Cb 0.47 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.98 1sy9 h ILE 125 CO -0.20 0.42 0.59 -0.09 -0.69 0.00 0.00 178.15 178.18 1sy9 h ARG 126 N 0.97 1.02 -0.99 2.37 2.43 -0.40 0.18 114.38 119.96 1sy9 h ARG 126 Ca 0.17 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1sy9 h ARG 126 Cb 0.58 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1sy9 h ARG 126 CO 0.03 0.68 0.65 0.93 -1.51 0.00 0.00 179.97 180.76 1sy9 h GLU 127 N 1.05 1.30 -0.28 0.20 5.08 -1.29 -2.75 114.58 117.89 1sy9 h GLU 127 Ca 0.38 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1sy9 h GLU 127 Cb 0.14 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1sy9 h GLU 127 CO -0.13 0.86 0.00 0.00 -1.00 0.00 0.00 179.01 178.74 1sy9 n ALA 128 N -2.38 2.40 -2.24 3.43 0.00 -0.90 -4.74 120.51 116.08 1sy9 n ALA 128 Ca 0.12 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 1sy9 n ALA 128 Cb 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.16 4.95 -0.16 0.00 -0.08 0.57 -4.73 116.55 118.26 1sy9 n ASP 129 Ca 0.15 -3.08 -0.11 0.00 -1.51 0.00 0.00 54.79 50.25 1sy9 n ASP 129 Cb 0.51 -1.50 -0.00 0.00 2.34 0.00 0.00 41.12 42.47 1sy9 n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1sy9 h ILE 130 N 3.75 1.27 0.00 5.18 2.04 -1.85 -2.91 117.51 125.00 1sy9 h ILE 130 Ca 0.42 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1sy9 h ILE 130 Cb 0.62 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1sy9 h ILE 130 CO 1.66 0.45 -0.15 -2.24 0.00 0.00 0.00 178.15 177.87 1sy9 h ASP 131 N 0.81 0.00 0.00 1.72 2.03 -1.94 -3.47 116.42 115.57 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 0.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1sy9 h ASP 131 CO 0.05 0.15 0.00 0.61 -1.03 0.00 0.00 179.24 179.02 1sy9 n GLY 132 N 0.29 0.57 0.01 7.15 0.00 -1.10 -4.94 105.19 107.17 1sy9 n GLY 132 Ca 0.01 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 1.64 0.28 0.00 1.61 5.75 -1.26 -4.91 116.55 119.66 1sy9 n ASP 133 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 1sy9 n ASP 133 Cb 0.18 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 1.47 0.76 3.02 6.12 0.00 -1.26 -5.03 105.19 110.27 1sy9 n GLY 134 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.47 0.41 -0.28 1.61 -0.21 -1.26 -4.88 119.66 114.58 1sy9 s GLN 135 Ca 0.00 -0.65 -0.18 0.00 0.02 0.00 0.00 55.36 54.55 1sy9 s GLN 135 Cb 0.00 -0.12 -0.02 0.00 1.00 0.00 0.00 33.01 33.87 1sy9 s GLN 135 CO 0.00 0.01 0.54 0.08 -2.12 0.00 0.00 175.29 173.80 1sy9 s VAL 136 N -1.32 5.03 0.77 1.09 1.01 -1.26 -4.77 120.40 120.96 1sy9 s VAL 136 Ca -0.12 0.79 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 1sy9 s VAL 136 Cb -0.09 -3.89 0.13 0.00 0.00 0.00 0.00 36.38 32.53 1sy9 s VAL 136 CO -0.00 -0.01 1.07 0.20 0.00 0.00 0.00 175.10 176.36 1sy9 s ASN 137 N 1.60 4.12 0.12 3.32 0.01 -1.26 -2.93 114.94 119.92 1sy9 s ASN 137 Ca 0.22 -0.08 -0.19 0.00 -0.71 0.00 0.00 52.86 52.09 1sy9 s ASN 137 Cb -0.15 -0.26 -0.06 0.00 0.41 0.00 0.00 41.25 41.18 1sy9 s ASN 137 CO 0.10 -2.03 1.72 0.22 -1.51 0.00 0.00 177.10 175.61 1sy9 h TYR 138 N -0.80 0.32 -0.36 2.20 5.03 -1.97 -1.85 116.97 119.53 1sy9 h TYR 138 Ca -0.40 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.91 1sy9 h TYR 138 Cb 1.27 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 39.43 1sy9 h TYR 138 CO -0.35 0.27 0.24 0.93 -1.32 0.00 0.00 178.16 177.92 1sy9 h GLU 139 N 0.28 0.48 -0.51 1.82 4.39 -1.94 -2.58 114.58 116.52 1sy9 h GLU 139 Ca 0.08 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1sy9 h GLU 139 Cb 0.05 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1sy9 h GLU 139 CO -0.01 0.31 0.07 0.93 -1.16 0.00 0.00 179.01 179.15 1sy9 h GLU 140 N 0.49 0.81 -0.11 2.33 5.08 -1.85 -2.59 114.58 118.74 1sy9 h GLU 140 Ca 0.13 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1sy9 h GLU 140 Cb -0.05 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1sy9 h GLU 140 CO -0.03 0.78 0.07 0.35 -1.00 0.00 0.00 179.01 179.18 1sy9 h PHE 141 N 0.77 0.14 -0.35 4.33 3.04 -0.96 -2.67 116.94 121.24 1sy9 h PHE 141 Ca 0.16 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.96 1sy9 h PHE 141 Cb 0.37 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 1sy9 h PHE 141 CO 0.02 0.09 -0.38 0.28 -2.02 0.00 0.00 178.31 176.30 1sy9 h VAL 142 N 0.15 1.28 -0.12 1.41 2.07 -1.38 -3.13 116.25 116.52 1sy9 h VAL 142 Ca 0.04 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1sy9 h VAL 142 Cb -0.01 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1sy9 h VAL 142 CO -0.01 0.52 0.08 -0.61 0.02 0.00 0.00 177.57 177.57 1sy9 h GLN 143 N 0.68 0.16 -0.60 1.57 4.15 -1.41 -1.27 115.11 118.39 1sy9 h GLN 143 Ca 0.05 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1sy9 h GLN 143 Cb 0.98 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1sy9 h GLN 143 CO 0.09 0.11 0.40 1.98 -1.93 0.00 0.00 178.83 179.47 1sy9 h MET 144 N 0.16 0.78 -0.33 1.69 4.05 -1.55 0.20 114.93 119.94 1sy9 h MET 144 Ca 0.05 -0.05 -0.18 0.00 -0.28 0.00 0.00 59.70 59.24 1sy9 h MET 144 Cb -0.02 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 1sy9 h MET 144 CO -0.01 0.52 -0.48 0.52 0.23 0.00 0.00 176.91 177.69 1sy9 h MET 145 N 0.81 0.91 -0.78 0.39 2.86 -1.41 -3.17 114.93 114.54 1sy9 h MET 145 Ca 0.22 -0.54 -0.43 0.00 -2.06 0.00 0.00 59.70 56.89 1sy9 h MET 145 Cb -0.09 0.05 -0.25 0.00 0.06 0.00 0.00 31.60 31.37 1sy9 h MET 145 CO -0.05 1.18 0.38 -2.37 1.06 0.00 0.00 176.91 177.12 1sy9 n THR 146 N -4.03 3.03 -0.27 2.22 5.66 -0.51 -4.65 114.28 115.72 1sy9 n THR 146 Ca -0.03 -2.42 -0.05 0.00 -3.05 0.00 0.00 64.05 58.50 1sy9 n THR 146 Cb 0.59 -0.54 0.06 0.00 -1.55 0.00 0.00 70.33 68.90 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sy9 h ALA 147 N 1.17 0.96 -0.00 1.79 0.00 -0.59 -3.48 119.26 119.11 1sy9 h ALA 147 Ca 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1sy9 h ALA 147 Cb 2.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1sy9 h ALA 147 CO 0.92 0.38 0.00 1.63 0.00 0.00 0.00 179.25 182.19