#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy9 n ASP 2 N 0.00 3.89 -0.36 0.00 8.00 -1.26 -4.55 116.55 122.27 1sy9 n ASP 2 Ca 0.00 -3.61 -0.02 0.00 0.71 0.00 0.00 54.79 51.87 1sy9 n ASP 2 Cb 0.00 -0.84 0.13 0.00 -0.02 0.00 0.00 41.12 40.38 1sy9 n ASP 2 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1sy9 h GLN 3 N 1.03 1.28 0.00 -1.24 4.20 -2.13 -3.43 115.11 114.82 1sy9 h GLN 3 Ca 0.64 -0.08 -0.44 0.00 0.06 0.00 0.00 58.65 58.83 1sy9 h GLN 3 Cb 2.81 -0.29 0.01 0.00 0.30 0.00 0.00 27.48 30.31 1sy9 h GLN 3 CO 1.13 0.85 -0.10 1.28 -0.67 0.00 0.00 178.83 181.31 1sy9 n LEU 4 N -4.38 0.00 -3.61 1.46 4.77 -1.26 -5.11 117.00 108.86 1sy9 n LEU 4 Ca 0.11 -2.27 -0.28 0.00 -0.03 0.00 0.00 56.01 53.54 1sy9 n LEU 4 Cb 0.02 -0.29 -0.16 0.00 -2.33 0.00 0.00 43.42 40.66 1sy9 n LEU 4 CO 0.37 -0.65 -0.33 0.42 -1.33 0.00 0.00 177.39 175.86 1sy9 s THR 5 N -2.21 0.11 0.11 -5.08 -4.23 -1.26 -5.00 115.64 98.09 1sy9 s THR 5 Ca 0.47 -0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 60.31 1sy9 s THR 5 Cb -0.04 -0.96 -0.22 0.00 1.34 0.00 0.00 72.50 72.62 1sy9 s THR 5 CO 0.30 -0.54 1.24 -0.33 -0.54 0.00 0.00 174.62 174.76 1sy9 h GLU 6 N 8.35 0.29 -0.92 3.99 5.08 -1.99 -3.32 114.58 126.06 1sy9 h GLU 6 Ca -0.17 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1sy9 h GLU 6 Cb 1.06 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 1sy9 h GLU 6 CO 0.39 1.13 0.60 1.05 -1.00 0.00 0.00 179.01 181.18 1sy9 h GLU 7 N 0.13 1.17 0.00 2.33 4.11 -2.04 -1.71 114.58 118.57 1sy9 h GLU 7 Ca -0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1sy9 h GLU 7 Cb 1.75 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1sy9 h GLU 7 CO 0.18 0.78 0.00 1.96 0.07 0.00 0.00 179.01 181.99 1sy9 h GLN 8 N 1.21 0.00 0.00 1.06 4.20 -2.00 -3.21 115.11 116.37 1sy9 h GLN 8 Ca 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 1sy9 h GLN 8 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1sy9 h GLN 8 CO -0.09 0.00 -0.00 0.82 -0.67 0.00 0.00 178.83 178.89 1sy9 h ILE 9 N 0.00 1.02 -0.14 2.54 1.08 -1.42 -2.67 117.51 117.93 1sy9 h ILE 9 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1sy9 h ILE 9 Cb 0.45 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1sy9 h ILE 9 CO 0.00 0.02 0.09 0.00 -0.69 0.00 0.00 178.15 177.57 1sy9 h ALA 10 N 0.96 1.89 -0.70 1.87 0.00 -1.65 -2.57 119.26 119.06 1sy9 h ALA 10 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sy9 h ALA 10 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1sy9 h ALA 10 CO 0.00 0.10 0.47 0.93 0.00 0.00 0.00 179.25 180.74 1sy9 h GLU 11 N 0.20 0.92 0.00 0.00 5.08 -1.60 -1.73 114.58 117.45 1sy9 h GLU 11 Ca 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sy9 h GLU 11 Cb -0.02 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1sy9 h GLU 11 CO -0.01 0.61 -0.05 0.74 -1.00 0.00 0.00 179.01 179.30 1sy9 h PHE 12 N 0.95 0.00 -0.20 4.33 0.04 -1.44 -2.74 116.94 117.87 1sy9 h PHE 12 Ca 0.26 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.92 1sy9 h PHE 12 Cb -0.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 1sy9 h PHE 12 CO -0.02 0.05 -0.30 0.87 -0.60 0.00 0.00 178.31 178.30 1sy9 h LYS 13 N 0.00 0.55 0.00 1.51 1.79 -1.34 -1.89 116.57 117.19 1sy9 h LYS 13 Ca -0.00 -0.33 -0.13 0.00 -2.18 0.00 0.00 60.65 58.01 1sy9 h LYS 13 Cb 0.30 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1sy9 h LYS 13 CO 0.01 0.93 -0.62 0.93 -1.08 0.00 0.00 179.45 179.61 1sy9 h GLU 14 N 0.23 0.00 0.00 3.15 5.08 -1.47 -3.29 114.58 118.28 1sy9 h GLU 14 Ca 0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.12 1sy9 h GLU 14 Cb 0.88 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1sy9 h GLU 14 CO 0.07 0.62 -1.44 0.00 -1.00 0.00 0.00 179.01 177.26 1sy9 h ALA 15 N 1.38 0.60 -0.42 3.43 0.00 -1.53 -3.37 119.26 119.35 1sy9 h ALA 15 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1sy9 h ALA 15 Cb 1.24 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1sy9 h ALA 15 CO 0.08 1.45 0.28 0.35 0.00 0.00 0.00 179.25 181.41 1sy9 h PHE 16 N 0.00 0.53 -0.95 0.00 3.04 -1.41 -1.36 116.94 116.79 1sy9 h PHE 16 Ca -0.18 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.79 1sy9 h PHE 16 Cb 1.92 -0.18 -0.05 0.00 2.56 0.00 0.00 35.95 40.21 1sy9 h PHE 16 CO 0.00 0.33 0.63 0.77 -2.02 0.00 0.00 178.31 178.02 1sy9 h SER 17 N 0.57 1.10 -0.60 0.41 0.02 -1.74 0.29 113.55 113.60 1sy9 h SER 17 Ca 0.15 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1sy9 h SER 17 Cb -0.07 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.17 1sy9 h SER 17 CO -0.03 0.80 0.34 0.25 -1.14 0.00 0.00 176.83 177.05 1sy9 h LEU 18 N 1.30 0.74 -0.38 5.07 5.85 -1.59 -2.72 115.31 123.58 1sy9 h LEU 18 Ca 0.35 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.82 1sy9 h LEU 18 Cb -0.14 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1sy9 h LEU 18 CO -0.07 0.61 -0.40 -0.26 -0.34 0.00 0.00 178.44 177.97 1sy9 h PHE 19 N 0.82 1.13 -2.80 1.25 0.04 -0.38 -3.38 116.94 113.62 1sy9 h PHE 19 Ca 0.21 -0.35 -0.69 0.00 2.80 0.00 0.00 57.97 59.94 1sy9 h PHE 19 Cb 0.02 -0.23 -0.19 0.00 2.20 0.00 0.00 35.95 37.75 1sy9 h PHE 19 CO -0.01 1.18 0.44 0.34 -0.60 0.00 0.00 178.31 179.66 1sy9 s ASP 20 N -6.85 6.41 0.40 2.17 -1.08 0.94 -4.86 116.67 113.80 1sy9 s ASP 20 Ca -0.11 -1.71 0.06 0.00 -0.52 0.00 0.00 52.55 50.27 1sy9 s ASP 20 Cb 0.11 -2.35 0.81 0.00 -1.46 0.00 0.00 42.92 40.04 1sy9 s ASP 20 CO 0.88 -1.09 2.05 0.11 0.52 0.00 0.00 175.17 177.64 1sy9 h LYS 21 N 8.97 0.60 0.00 4.34 1.79 -1.75 -1.64 116.57 128.88 1sy9 h LYS 21 Ca -0.09 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1sy9 h LYS 21 Cb 1.06 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1sy9 h LYS 21 CO 1.08 0.40 -0.00 -0.25 -1.08 0.00 0.00 179.45 179.59 1sy9 n ASP 22 N -4.47 0.02 -2.09 0.86 8.00 -1.26 -4.89 116.55 112.72 1sy9 n ASP 22 Ca 0.04 0.50 -0.16 0.00 0.71 0.00 0.00 54.79 55.88 1sy9 n ASP 22 Cb 0.05 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 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 1.50 0.21 0.08 0.44 0.00 -0.62 -4.81 105.19 101.99 1sy9 n GLY 23 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1sy9 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sy9 n ASP 24 N -1.53 0.57 0.00 1.61 5.75 -1.26 -4.93 116.55 116.76 1sy9 n ASP 24 Ca -0.18 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 1sy9 n ASP 24 Cb 0.61 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 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 1.42 0.62 3.03 6.12 0.00 -1.26 -5.07 105.19 110.06 1sy9 n GLY 25 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.18 0.01 -0.19 2.61 -4.23 -1.26 -4.15 115.64 106.25 1sy9 s THR 26 Ca 0.00 -0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.32 1sy9 s THR 26 Cb 0.00 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.56 1sy9 s THR 26 CO 0.00 -0.06 0.06 -0.63 -0.54 0.00 0.00 174.62 173.45 1sy9 s ILE 27 N -0.16 4.69 -0.12 2.99 1.01 -1.14 -4.93 121.20 123.54 1sy9 s ILE 27 Ca -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 1sy9 s ILE 27 Cb -0.02 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1sy9 s ILE 27 CO 0.00 0.44 0.13 0.42 0.00 0.00 0.00 174.94 175.93 1sy9 s THR 28 N 0.56 5.42 0.54 2.92 -4.23 -1.26 -3.57 115.64 116.02 1sy9 s THR 28 Ca 0.03 0.18 0.44 0.00 -1.18 0.00 0.00 61.69 61.16 1sy9 s THR 28 Cb -0.13 -3.36 0.66 0.00 1.34 0.00 0.00 72.50 71.01 1sy9 s THR 28 CO 0.01 0.61 1.64 0.71 -0.54 0.00 0.00 174.62 177.05 1sy9 h THR 29 N 4.02 0.12 -0.02 3.99 1.35 -1.95 0.45 112.91 120.87 1sy9 h THR 29 Ca -0.54 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1sy9 h THR 29 Cb 1.22 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1sy9 h THR 29 CO 0.58 0.00 0.00 0.50 -0.25 0.00 0.00 175.52 176.36 1sy9 h LYS 30 N 0.02 0.04 0.35 4.72 3.64 -1.98 -2.11 116.57 121.26 1sy9 h LYS 30 Ca 0.83 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 60.19 1sy9 h LYS 30 Cb 3.23 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 35.05 1sy9 h LYS 30 CO -0.07 0.31 -0.20 0.93 -2.27 0.00 0.00 179.45 178.15 1sy9 h GLU 31 N -0.23 -0.50 -0.48 1.90 5.08 -0.50 -2.77 114.58 117.08 1sy9 h GLU 31 Ca 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1sy9 h GLU 31 Cb 0.29 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1sy9 h GLU 31 CO 0.00 -0.33 0.32 1.25 -1.00 0.00 0.00 179.01 179.25 1sy9 h LEU 32 N -0.52 0.55 -1.85 1.33 5.85 -1.56 -2.32 115.31 116.80 1sy9 h LEU 32 Ca -0.04 -0.01 0.31 0.00 0.84 0.00 0.00 57.88 58.97 1sy9 h LEU 32 Cb 0.42 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1sy9 h LEU 32 CO 0.05 0.40 0.76 1.23 -0.34 0.00 0.00 178.44 180.54 1sy9 h GLY 33 N 0.65 0.28 1.08 3.75 0.00 -1.07 0.18 103.07 107.94 1sy9 h GLY 33 Ca 0.18 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.31 1sy9 h GLY 33 CO -0.04 -0.03 -0.39 -0.84 0.00 0.00 0.00 176.54 175.24 1sy9 h THR 34 N 0.09 1.28 0.09 4.70 2.02 -1.48 -1.89 112.91 117.72 1sy9 h THR 34 Ca 0.54 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 1sy9 h THR 34 Cb 1.96 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1sy9 h THR 34 CO -0.07 0.52 -0.04 0.58 0.37 0.00 0.00 175.52 176.87 1sy9 h VAL 35 N 0.65 1.08 -0.38 3.16 2.07 -0.79 -2.56 116.25 119.47 1sy9 h VAL 35 Ca 0.05 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1sy9 h VAL 35 Cb 0.98 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1sy9 h VAL 35 CO 0.09 0.15 0.25 0.24 0.02 0.00 0.00 177.57 178.33 1sy9 h MET 36 N -0.41 0.50 -0.09 1.57 2.86 -1.48 -1.43 114.93 116.45 1sy9 h MET 36 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1sy9 h MET 36 Cb 0.34 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1sy9 h MET 36 CO 0.02 0.33 0.06 -0.09 1.06 0.00 0.00 176.91 178.29 1sy9 h ARG 37 N 0.52 0.12 0.00 1.72 1.12 -0.41 -0.42 114.38 117.02 1sy9 h ARG 37 Ca 0.14 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.00 1sy9 h ARG 37 Cb -0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.88 1sy9 h ARG 37 CO -0.03 0.08 0.00 1.03 -3.11 0.00 0.00 179.97 177.94 1sy9 h SER 38 N 0.12 0.00 0.97 -3.80 0.87 -0.98 -2.91 113.55 107.81 1sy9 h SER 38 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1sy9 h SER 38 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1sy9 h SER 38 CO -0.01 0.00 -1.03 0.18 -0.53 0.00 0.00 176.83 175.44 1sy9 n LEU 39 N -2.49 0.83 0.00 2.23 7.99 -0.60 -4.93 117.00 120.03 1sy9 n LEU 39 Ca 0.02 0.32 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 1sy9 n LEU 39 Cb 0.29 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.54 1sy9 n LEU 39 CO 0.24 -0.18 0.00 0.61 -1.51 0.00 0.00 177.39 176.54 1sy9 n GLY 40 N 1.18 0.75 3.43 -0.72 0.00 -0.35 -5.03 105.19 104.45 1sy9 n GLY 40 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 1.25 -0.39 1.61 0.74 -0.31 -4.94 119.66 117.62 1sy9 s GLN 41 Ca 0.00 -0.46 -0.01 0.00 0.05 0.00 0.00 55.36 54.94 1sy9 s GLN 41 Cb 0.00 0.58 0.11 0.00 1.10 0.00 0.00 33.01 34.79 1sy9 s GLN 41 CO 0.00 -0.55 0.16 1.21 -0.55 0.00 0.00 175.29 175.57 1sy9 s ASN 42 N -2.73 5.11 0.00 6.67 3.04 -1.26 -1.54 114.94 124.22 1sy9 s ASN 42 Ca 0.01 -2.09 0.00 0.00 0.04 0.00 0.00 52.86 50.82 1sy9 s ASN 42 Cb -0.01 -1.77 0.00 0.00 -1.54 0.00 0.00 41.25 37.93 1sy9 s ASN 42 CO -0.13 -0.49 0.00 -0.81 -3.04 0.00 0.00 177.10 172.63 1sy9 n PRO 43 N 4.46 2.06 -4.09 0.43 -0.04 -1.26 -4.99 135.00 131.57 1sy9 n PRO 43 Ca -0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1sy9 n PRO 43 Cb 0.41 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 0.22 0.65 0.52 -4.23 -1.26 -5.00 115.64 106.54 1sy9 s THR 44 Ca 0.00 -1.80 0.33 0.00 -1.18 0.00 0.00 61.69 59.04 1sy9 s THR 44 Cb 0.00 -1.51 0.34 0.00 1.34 0.00 0.00 72.50 72.67 1sy9 s THR 44 CO 0.00 -0.99 2.03 -0.33 -0.54 0.00 0.00 174.62 174.79 1sy9 h GLU 45 N 3.15 0.00 0.38 3.99 5.08 -1.96 0.92 114.58 126.15 1sy9 h GLU 45 Ca -0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1sy9 h GLU 45 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1sy9 h GLU 45 CO 0.66 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 178.48 1sy9 h ALA 46 N 1.53 -0.51 -0.26 3.43 0.00 -2.00 -2.69 119.26 118.75 1sy9 h ALA 46 Ca 0.03 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1sy9 h ALA 46 Cb 0.56 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1sy9 h ALA 46 CO -0.00 -0.48 -0.37 1.49 0.00 0.00 0.00 179.25 179.89 1sy9 h GLU 47 N -1.14 0.58 -0.44 0.00 4.81 -1.79 -2.78 114.58 113.82 1sy9 h GLU 47 Ca -0.05 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1sy9 h GLU 47 Cb 0.40 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1sy9 h GLU 47 CO 0.09 0.86 0.29 -0.07 -0.73 0.00 0.00 179.01 179.45 1sy9 h LEU 48 N 0.49 0.33 -0.80 1.64 3.38 0.76 -1.49 115.31 119.62 1sy9 h LEU 48 Ca 0.05 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1sy9 h LEU 48 Cb 0.87 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1sy9 h LEU 48 CO 0.07 0.22 -0.55 -0.61 0.09 0.00 0.00 178.44 177.66 1sy9 h GLN 49 N 0.38 0.14 -0.14 1.13 -0.00 -1.18 -2.87 115.11 112.57 1sy9 h GLN 49 Ca 0.19 -0.09 -0.07 0.00 -0.00 0.00 0.00 58.65 58.67 1sy9 h GLN 49 Cb 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.76 1sy9 h GLN 49 CO -0.04 0.66 -0.20 0.22 0.00 0.00 0.00 178.83 179.46 1sy9 h ASP 50 N 0.11 0.43 -0.73 -0.69 1.82 -1.28 -1.14 116.42 114.94 1sy9 h ASP 50 Ca -0.00 -0.52 -0.01 0.00 -0.39 0.00 0.00 57.03 56.11 1sy9 h ASP 50 Cb 1.01 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.86 1sy9 h ASP 50 CO 0.08 0.86 0.40 0.24 -1.61 0.00 0.00 179.24 179.21 1sy9 h MET 51 N 0.00 1.01 -0.15 0.28 2.86 -1.55 -2.17 114.93 115.22 1sy9 h MET 51 Ca 0.02 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1sy9 h MET 51 Cb 0.77 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1sy9 h MET 51 CO 0.05 0.75 -0.40 0.82 1.06 0.00 0.00 176.91 179.19 1sy9 h ILE 52 N 1.00 1.31 -0.89 -1.22 2.04 -1.51 -3.06 117.51 115.17 1sy9 h ILE 52 Ca 0.26 -1.52 0.01 0.00 1.00 0.00 0.00 64.86 64.60 1sy9 h ILE 52 Cb 0.03 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1sy9 h ILE 52 CO -0.04 0.46 0.59 -1.13 0.00 0.00 0.00 178.15 178.03 1sy9 h ASN 53 N 0.28 1.01 0.28 1.72 -1.24 -0.55 0.65 115.58 117.74 1sy9 h ASN 53 Ca 0.03 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1sy9 h ASN 53 Cb 0.83 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 39.62 1sy9 h ASN 53 CO 0.07 0.73 -0.16 -0.33 -1.29 0.00 0.00 177.43 176.45 1sy9 h GLU 54 N 1.20 0.00 -0.00 6.67 5.08 -1.40 -2.71 114.58 123.41 1sy9 h GLU 54 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1sy9 h GLU 54 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1sy9 h GLU 54 CO -0.07 0.16 -0.61 0.28 -1.00 0.00 0.00 179.01 177.77 1sy9 n VAL 55 N -3.97 0.00 -1.99 3.13 0.31 -0.45 -4.92 118.33 110.44 1sy9 n VAL 55 Ca -0.02 -0.19 -0.40 0.00 -0.01 0.00 0.00 64.34 63.72 1sy9 n VAL 55 Cb 0.25 1.08 -0.03 0.00 -0.91 0.00 0.00 33.84 34.23 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 -2.33 5.41 0.20 4.52 1.01 0.22 -4.84 116.67 120.86 1sy9 s ASP 56 Ca 0.09 0.73 -0.08 0.00 0.71 0.00 0.00 52.55 54.00 1sy9 s ASP 56 Cb 0.13 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.65 1sy9 s ASP 56 CO 0.58 -2.19 1.72 0.00 0.21 0.00 0.00 175.17 175.49 1sy9 h ALA 57 N 14.63 0.95 0.01 5.23 0.00 -1.89 -3.18 119.26 135.01 1sy9 h ALA 57 Ca -0.28 -0.25 -0.31 0.00 0.00 0.00 0.00 54.91 54.07 1sy9 h ALA 57 Cb 1.17 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1sy9 h ALA 57 CO 1.15 0.67 -1.82 -0.40 0.00 0.00 0.00 179.25 178.85 1sy9 n ASP 58 N -4.23 0.84 0.00 0.00 5.75 -1.26 -4.99 116.55 112.66 1sy9 n ASP 58 Ca 0.05 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1sy9 n ASP 58 Cb 0.26 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.68 0.20 6.12 0.00 -1.20 -4.97 105.19 107.63 1sy9 n GLY 59 Ca -0.20 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 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 0.69 0.00 1.61 -1.07 -1.94 -3.47 115.58 111.40 1sy9 h ASN 60 Ca 0.00 -0.45 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1sy9 h ASN 60 Cb 0.23 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 36.28 1sy9 h ASN 60 CO 0.00 1.22 0.00 0.61 0.07 0.00 0.00 177.43 179.33 1sy9 n GLY 61 N 0.61 0.43 3.31 9.14 0.00 -1.26 -5.13 105.19 112.28 1sy9 n GLY 61 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.36 0.54 -0.23 2.61 -4.23 -1.26 -4.84 115.64 106.87 1sy9 s THR 62 Ca 0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1sy9 s THR 62 Cb 0.00 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 1sy9 s THR 62 CO 0.00 -0.02 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.42 1sy9 s ILE 63 N -3.77 3.67 0.50 2.99 1.01 -1.23 -4.91 121.20 119.46 1sy9 s ILE 63 Ca 0.37 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1sy9 s ILE 63 Cb 0.08 -2.68 0.03 0.00 0.01 0.00 0.00 42.46 39.89 1sy9 s ILE 63 CO 0.13 0.40 0.69 -1.81 0.00 0.00 0.00 174.94 174.35 1sy9 s ASP 64 N 1.51 5.41 0.21 3.58 1.01 -1.26 -2.91 116.67 124.23 1sy9 s ASP 64 Ca 0.06 -0.21 -0.11 0.00 0.71 0.00 0.00 52.55 53.00 1sy9 s ASP 64 Cb -0.14 -0.74 0.29 0.00 1.01 0.00 0.00 42.92 43.34 1sy9 s ASP 64 CO -0.01 -1.00 1.67 0.15 0.21 0.00 0.00 175.17 176.19 1sy9 h PHE 65 N 0.30 -0.02 -0.36 4.23 3.04 -2.00 0.10 116.94 122.23 1sy9 h PHE 65 Ca -0.41 0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.47 1sy9 h PHE 65 Cb 1.29 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.89 1sy9 h PHE 65 CO 0.37 -0.15 -0.23 -1.00 -2.02 0.00 0.00 178.31 175.28 1sy9 h PRO 66 N 0.13 0.72 -0.36 6.41 0.13 -1.96 -2.64 132.00 134.42 1sy9 h PRO 66 Ca 0.32 -0.29 -0.16 0.00 -0.87 0.00 0.00 66.00 65.00 1sy9 h PRO 66 Cb 0.51 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1sy9 h PRO 66 CO -0.51 0.88 -0.42 0.93 -0.23 0.00 0.00 178.00 178.66 1sy9 h GLU 67 N 0.63 0.92 0.00 0.86 5.08 -1.75 -2.96 114.58 117.36 1sy9 h GLU 67 Ca 0.09 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1sy9 h GLU 67 Cb 0.72 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1sy9 h GLU 67 CO 0.06 1.15 -0.00 0.35 -1.00 0.00 0.00 179.01 179.56 1sy9 h PHE 68 N 0.74 -0.00 -0.77 4.33 3.04 -0.88 -2.35 116.94 121.05 1sy9 h PHE 68 Ca 0.05 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1sy9 h PHE 68 Cb 1.01 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.48 1sy9 h PHE 68 CO 0.06 0.04 0.43 1.25 -2.02 0.00 0.00 178.31 178.07 1sy9 h LEU 69 N -0.04 0.95 -1.20 0.59 6.46 -1.51 -2.34 115.31 118.21 1sy9 h LEU 69 Ca -0.00 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 1sy9 h LEU 69 Cb 0.04 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 1sy9 h LEU 69 CO 0.00 0.76 0.13 0.71 -0.62 0.00 0.00 178.44 179.42 1sy9 h THR 70 N 1.06 1.20 -0.40 1.05 1.35 -1.43 -2.95 112.91 112.78 1sy9 h THR 70 Ca 0.27 -0.68 -0.06 0.00 -0.55 0.00 0.00 66.41 65.39 1sy9 h THR 70 Cb 0.01 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1sy9 h THR 70 CO -0.05 0.25 -0.00 -0.03 -0.25 0.00 0.00 175.52 175.45 1sy9 h MET 71 N 0.67 0.70 -0.45 4.72 1.85 -0.89 -2.60 114.93 118.94 1sy9 h MET 71 Ca 0.15 -0.22 0.00 0.00 -0.61 0.00 0.00 59.70 59.03 1sy9 h MET 71 Cb 0.23 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.17 1sy9 h MET 71 CO -0.01 0.79 0.30 1.98 -0.40 0.00 0.00 176.91 179.57 1sy9 h MET 72 N 0.53 0.59 -0.10 0.39 -1.53 -1.31 -1.78 114.93 111.73 1sy9 h MET 72 Ca 0.11 -0.04 -0.10 0.00 -3.44 0.00 0.00 59.70 56.24 1sy9 h MET 72 Cb 0.48 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.38 1sy9 h MET 72 CO 0.02 0.40 -0.38 0.00 0.14 0.00 0.00 176.91 177.09 1sy9 h ALA 73 N 1.16 1.19 -0.37 0.39 0.00 -1.55 -2.59 119.26 117.48 1sy9 h ALA 73 Ca 0.16 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1sy9 h ALA 73 Cb -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1sy9 h ALA 73 CO -0.04 0.55 -0.41 0.00 0.00 0.00 0.00 179.25 179.36 1sy9 h ARG 74 N 0.17 0.94 -0.10 0.00 2.47 -1.05 -3.15 114.38 113.66 1sy9 h ARG 74 Ca 0.02 -0.51 -0.12 0.00 -1.26 0.00 0.00 59.98 58.11 1sy9 h ARG 74 Cb 0.75 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.10 1sy9 h ARG 74 CO 0.06 1.16 -0.42 -0.22 0.56 0.00 0.00 179.97 181.11 1sy9 h LYS 75 N 0.75 0.46 -0.96 0.04 3.64 -1.24 -3.28 116.57 115.98 1sy9 h LYS 75 Ca 0.05 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1sy9 h LYS 75 Cb 1.01 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1sy9 h LYS 75 CO 0.10 0.99 0.60 0.52 -2.27 0.00 0.00 179.45 179.39 1sy9 h MET 76 N 0.03 1.30 -0.35 1.90 2.86 -1.54 -2.90 114.93 116.23 1sy9 h MET 76 Ca -0.02 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 1sy9 h MET 76 Cb 1.06 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1sy9 h MET 76 CO 0.09 0.89 -0.20 1.57 1.06 0.00 0.00 176.91 180.32 1sy9 h LYS 77 N 1.32 0.67 0.00 1.72 2.10 -1.65 -2.69 116.57 118.05 1sy9 h LYS 77 Ca 0.35 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1sy9 h LYS 77 Cb -0.08 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 1sy9 h LYS 77 CO -0.07 0.83 0.00 -0.44 -2.00 0.00 0.00 179.45 177.77 1sy9 h ASP 78 N 0.59 0.00 -1.06 7.07 3.32 -1.57 -3.45 116.42 121.33 1sy9 h ASP 78 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1sy9 h ASP 78 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1sy9 h ASP 78 CO 0.05 0.00 0.00 1.07 -1.72 0.00 0.00 179.24 178.64 1sy9 n THR 79 N -2.75 0.00 -5.13 0.35 5.66 -1.01 -5.14 114.28 106.27 1sy9 n THR 79 Ca 0.01 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.72 1sy9 n THR 79 Cb 0.26 -0.10 -0.16 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.80 2.66 0.54 1.09 1.01 -1.26 -4.97 116.67 116.53 1sy9 s ASP 80 Ca 0.00 -0.41 0.28 0.00 0.71 0.00 0.00 52.55 53.13 1sy9 s ASP 80 Cb 0.00 -0.30 1.52 0.00 1.01 0.00 0.00 42.92 45.15 1sy9 s ASP 80 CO 0.00 0.28 2.10 -1.28 0.21 0.00 0.00 175.17 176.48 1sy9 h SER 81 N 5.57 0.00 -0.30 0.27 0.87 -1.99 -1.86 113.55 116.11 1sy9 h SER 81 Ca -0.41 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.10 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 0.10 0.01 -0.33 -0.53 0.00 0.00 176.83 176.55 1sy9 h GLU 82 N 0.00 0.64 -0.39 2.24 5.08 -2.00 -2.81 114.58 117.34 1sy9 h GLU 82 Ca -0.00 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 1sy9 h GLU 82 Cb 0.29 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1sy9 h GLU 82 CO 0.01 0.65 -0.13 0.93 -1.00 0.00 0.00 179.01 179.47 1sy9 h GLU 83 N 0.61 0.77 0.00 2.33 5.08 -1.76 -3.03 114.58 118.58 1sy9 h GLU 83 Ca 0.13 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1sy9 h GLU 83 Cb 0.37 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1sy9 h GLU 83 CO 0.01 0.93 -0.27 1.05 -1.00 0.00 0.00 179.01 179.73 1sy9 h GLU 84 N 0.57 0.00 -0.19 2.33 4.11 -1.53 -3.05 114.58 116.82 1sy9 h GLU 84 Ca 0.09 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.45 1sy9 h GLU 84 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1sy9 h GLU 84 CO 0.05 0.27 -0.17 0.82 0.07 0.00 0.00 179.01 180.05 1sy9 h ILE 85 N 0.00 1.33 -0.81 -1.06 2.04 -1.40 -2.40 117.51 115.22 1sy9 h ILE 85 Ca -0.00 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.54 1sy9 h ILE 85 Cb 0.71 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1sy9 h ILE 85 CO 0.04 0.40 0.53 0.03 0.00 0.00 0.00 178.15 179.15 1sy9 h ARG 86 N 0.11 1.06 -0.33 2.37 3.08 -1.43 -1.80 114.38 117.43 1sy9 h ARG 86 Ca 0.03 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1sy9 h ARG 86 Cb 0.71 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1sy9 h ARG 86 CO 0.04 0.70 -0.30 0.93 -1.07 0.00 0.00 179.97 180.28 1sy9 h GLU 87 N 1.09 0.79 -0.39 0.04 5.08 -1.48 -2.81 114.58 116.89 1sy9 h GLU 87 Ca 0.30 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1sy9 h GLU 87 Cb -0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1sy9 h GLU 87 CO -0.06 1.04 0.02 0.00 -1.00 0.00 0.00 179.01 179.01 1sy9 h ALA 88 N 0.74 0.53 -0.15 3.43 0.00 -1.06 -2.59 119.26 120.15 1sy9 h ALA 88 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sy9 h ALA 88 Cb 0.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1sy9 h ALA 88 CO 0.08 0.28 0.10 0.35 0.00 0.00 0.00 179.25 180.06 1sy9 h PHE 89 N 0.51 0.19 -0.29 0.00 3.04 -1.38 -2.10 116.94 116.92 1sy9 h PHE 89 Ca 0.11 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.11 1sy9 h PHE 89 Cb 0.43 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1sy9 h PHE 89 CO 0.03 0.13 0.20 -0.09 -2.02 0.00 0.00 178.31 176.56 1sy9 h ARG 90 N 0.20 0.23 -0.33 1.11 2.43 -1.44 -1.72 114.38 114.86 1sy9 h ARG 90 Ca 0.06 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1sy9 h ARG 90 Cb -0.02 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1sy9 h ARG 90 CO -0.01 0.15 -0.35 0.28 -1.51 0.00 0.00 179.97 178.53 1sy9 h VAL 91 N 0.24 1.29 -0.35 0.20 2.07 -0.99 -3.19 116.25 115.52 1sy9 h VAL 91 Ca 0.12 -1.53 -0.13 0.00 0.82 0.00 0.00 66.70 65.99 1sy9 h VAL 91 Cb 0.20 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1sy9 h VAL 91 CO -0.02 0.50 -0.30 -0.26 0.02 0.00 0.00 177.57 177.51 1sy9 h PHE 92 N 0.59 0.87 -0.60 1.57 0.04 -0.89 -3.34 116.94 115.18 1sy9 h PHE 92 Ca 0.05 -0.22 -0.69 0.00 2.80 0.00 0.00 57.97 59.91 1sy9 h PHE 92 Cb 0.94 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.82 1sy9 h PHE 92 CO 0.07 0.96 2.49 -3.47 -0.60 0.00 0.00 178.31 177.76 1sy9 n ASP 93 N -4.08 4.62 -0.14 2.17 2.03 -0.72 -4.75 116.55 115.67 1sy9 n ASP 93 Ca -0.01 -2.90 -0.09 0.00 0.52 0.00 0.00 54.79 52.32 1sy9 n ASP 93 Cb 0.47 -1.72 -0.00 0.00 -0.72 0.00 0.00 41.12 39.15 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1sy9 h LYS 94 N 7.09 0.62 0.00 -0.67 1.57 -1.77 -2.56 116.57 120.85 1sy9 h LYS 94 Ca 0.49 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1sy9 h LYS 94 Cb 0.80 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1sy9 h LYS 94 CO 1.59 0.58 0.00 0.38 -0.57 0.00 0.00 179.45 181.43 1sy9 h ASP 95 N 0.52 0.00 -0.53 0.86 2.03 -1.95 -3.47 116.42 113.89 1sy9 h ASP 95 Ca 0.14 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.22 1sy9 h ASP 95 Cb 0.19 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.61 1sy9 h ASP 95 CO -0.01 0.00 -0.20 0.61 -1.03 0.00 0.00 179.24 178.61 1sy9 n GLY 96 N 0.68 1.19 0.00 7.15 0.00 -0.97 -4.87 105.19 108.38 1sy9 n GLY 96 Ca 0.03 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.59 1sy9 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sy9 n ASN 97 N 0.25 0.01 0.00 1.61 6.94 -1.26 -4.85 115.26 117.96 1sy9 n ASN 97 Ca -0.11 0.50 0.00 0.00 -0.02 0.00 0.00 54.58 54.95 1sy9 n ASN 97 Cb 0.36 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 1sy9 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sy9 n GLY 98 N 0.01 1.64 3.10 4.83 0.00 -1.26 -5.03 105.19 108.48 1sy9 n GLY 98 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.33 1.42 -0.24 1.61 1.51 -1.26 -4.40 117.35 113.65 1sy9 s TYR 99 Ca 0.00 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 55.50 1sy9 s TYR 99 Cb 0.00 -0.95 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1sy9 s TYR 99 CO 0.00 -0.10 0.65 0.42 -1.11 0.00 0.00 175.55 175.41 1sy9 s ILE 100 N -0.06 4.98 0.71 2.71 1.01 -1.23 -4.96 121.20 124.36 1sy9 s ILE 100 Ca -0.00 1.19 -0.07 0.00 0.00 0.00 0.00 60.65 61.76 1sy9 s ILE 100 Cb -0.09 -3.95 0.06 0.00 0.01 0.00 0.00 42.46 38.48 1sy9 s ILE 100 CO 0.01 0.03 1.03 -0.44 0.00 0.00 0.00 174.94 175.57 1sy9 s SER 101 N 1.41 4.85 0.17 3.58 0.01 -1.26 -4.25 113.70 118.21 1sy9 s SER 101 Ca 0.27 0.54 -0.09 0.00 1.31 0.00 0.00 55.95 57.98 1sy9 s SER 101 Cb -0.16 -1.20 0.04 0.00 0.21 0.00 0.00 66.02 64.92 1sy9 s SER 101 CO 0.09 -1.59 1.60 0.00 0.41 0.00 0.00 173.24 173.75 1sy9 h ALA 102 N -0.63 0.77 -0.64 1.44 0.00 -1.94 -2.62 119.26 115.64 1sy9 h ALA 102 Ca -0.45 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 1sy9 h ALA 102 Cb 1.31 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1sy9 h ALA 102 CO 0.61 0.68 0.38 0.00 0.00 0.00 0.00 179.25 180.92 1sy9 h ALA 103 N 0.94 1.47 -0.57 0.00 0.00 -2.00 -2.35 119.26 116.75 1sy9 h ALA 103 Ca 0.15 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1sy9 h ALA 103 Cb 0.66 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1sy9 h ALA 103 CO 0.05 0.46 -0.07 0.93 0.00 0.00 0.00 179.25 180.61 1sy9 h GLU 104 N 0.88 1.06 -0.40 0.00 5.08 -1.84 -2.49 114.58 116.87 1sy9 h GLU 104 Ca 0.23 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1sy9 h GLU 104 Cb -0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1sy9 h GLU 104 CO -0.04 1.07 0.25 1.25 -1.00 0.00 0.00 179.01 180.54 1sy9 h LEU 105 N 0.95 0.47 -1.51 1.33 6.46 -1.13 -2.33 115.31 119.55 1sy9 h LEU 105 Ca 0.15 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1sy9 h LEU 105 Cb 0.64 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1sy9 h LEU 105 CO 0.04 0.38 0.15 -0.09 -0.62 0.00 0.00 178.44 178.30 1sy9 h ARG 106 N 0.53 0.48 -0.26 1.25 2.43 -1.36 -2.94 114.38 114.51 1sy9 h ARG 106 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1sy9 h ARG 106 Cb -0.02 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1sy9 h ARG 106 CO -0.03 0.39 0.17 1.25 -1.51 0.00 0.00 179.97 180.24 1sy9 h HIS 107 N 0.48 0.33 0.04 2.20 2.76 -0.95 -2.07 115.15 117.94 1sy9 h HIS 107 Ca 0.12 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1sy9 h HIS 107 Cb 0.08 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1sy9 h HIS 107 CO 0.00 0.21 -0.02 0.28 -1.30 0.00 0.00 177.93 177.10 1sy9 h VAL 108 N 0.35 1.35 -1.00 5.26 2.07 -1.51 -2.47 116.25 120.30 1sy9 h VAL 108 Ca 0.10 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.26 1sy9 h VAL 108 Cb -0.04 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1sy9 h VAL 108 CO -0.02 0.35 0.65 0.24 0.02 0.00 0.00 177.57 178.81 1sy9 h MET 109 N -0.69 1.19 -0.22 1.57 2.07 -1.57 0.11 114.93 117.39 1sy9 h MET 109 Ca -0.01 -0.07 -0.05 0.00 -2.07 0.00 0.00 59.70 57.51 1sy9 h MET 109 Cb 0.61 -0.27 -0.01 0.00 -1.87 0.00 0.00 31.60 30.06 1sy9 h MET 109 CO 0.01 0.79 -0.04 1.15 1.07 0.00 0.00 176.91 179.88 1sy9 h THR 110 N 1.23 1.28 -0.11 2.22 2.02 -1.42 -1.66 112.91 116.46 1sy9 h THR 110 Ca 0.41 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 1sy9 h THR 110 Cb 0.07 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1sy9 h THR 110 CO -0.14 0.31 -0.03 0.78 0.37 0.00 0.00 175.52 176.81 1sy9 h ASN 111 N 0.16 0.14 0.27 4.18 2.35 -0.92 -1.88 115.58 119.88 1sy9 h ASN 111 Ca 0.06 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 1sy9 h ASN 111 Cb 0.49 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1sy9 h ASN 111 CO 0.02 0.21 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.48 1sy9 h LEU 112 N 0.16 0.24 0.00 1.61 3.38 -0.46 -3.47 115.31 116.77 1sy9 h LEU 112 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1sy9 h LEU 112 Cb 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1sy9 h LEU 112 CO 0.01 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1sy9 n GLY 113 N -0.09 1.34 3.26 0.83 0.00 -0.71 -4.87 105.19 104.95 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 -0.54 0.00 0.00 0.00 173.32 172.78 1sy9 s GLU 114 N 0.00 2.00 -0.26 1.61 2.02 -0.66 -5.03 118.70 118.38 1sy9 s GLU 114 Ca 0.00 -0.84 -0.09 0.00 0.02 0.00 0.00 54.97 54.06 1sy9 s GLU 114 Cb 0.00 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1sy9 s GLU 114 CO 0.00 0.47 0.13 0.15 0.02 0.00 0.00 175.26 176.03 1sy9 s LYS 115 N -0.46 3.80 0.11 1.61 1.02 -1.26 -3.57 119.74 121.00 1sy9 s LYS 115 Ca 0.06 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1sy9 s LYS 115 Cb -0.10 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1sy9 s LYS 115 CO -0.00 -0.18 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.64 1sy9 s LEU 116 N 1.68 2.47 0.62 3.17 1.43 -1.26 -5.11 118.68 121.68 1sy9 s LEU 116 Ca 0.07 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.24 1sy9 s LEU 116 Cb -0.16 -0.26 0.06 0.00 0.03 0.00 0.00 46.19 45.86 1sy9 s LEU 116 CO 0.07 -0.33 0.87 -0.89 0.23 0.00 0.00 176.35 176.31 1sy9 s THR 117 N -3.00 2.46 0.40 5.49 2.01 -1.26 -4.96 115.64 116.78 1sy9 s THR 117 Ca 0.11 -0.58 0.30 0.00 0.31 0.00 0.00 61.69 61.83 1sy9 s THR 117 Cb 0.01 -2.88 0.33 0.00 0.01 0.00 0.00 72.50 69.97 1sy9 s THR 117 CO -0.01 0.00 2.10 0.44 -0.69 0.00 0.00 174.62 176.46 1sy9 h ASP 118 N -0.21 0.00 -0.31 3.53 3.32 -2.00 -1.99 116.42 118.77 1sy9 h ASP 118 Ca -0.41 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.50 1sy9 h ASP 118 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1sy9 h ASP 118 CO 0.50 0.09 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.44 1sy9 h GLU 119 N 0.00 0.85 -0.42 3.56 5.08 -2.00 -1.89 114.58 119.77 1sy9 h GLU 119 Ca -0.00 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1sy9 h GLU 119 Cb 0.32 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1sy9 h GLU 119 CO 0.01 1.06 -0.00 0.93 -1.00 0.00 0.00 179.01 180.00 1sy9 h GLU 120 N 0.71 0.67 -0.35 2.33 5.08 -1.74 -2.50 114.58 118.78 1sy9 h GLU 120 Ca 0.07 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 1sy9 h GLU 120 Cb 0.90 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1sy9 h GLU 120 CO 0.08 0.69 -0.40 0.28 -1.00 0.00 0.00 179.01 178.67 1sy9 h VAL 121 N 0.63 1.28 -0.37 3.13 2.07 -1.28 -2.95 116.25 118.76 1sy9 h VAL 121 Ca 0.13 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1sy9 h VAL 121 Cb 0.40 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1sy9 h VAL 121 CO 0.02 0.52 0.24 -0.78 0.02 0.00 0.00 177.57 177.59 1sy9 h ASP 122 N 0.70 0.42 -0.76 0.57 1.82 -0.93 -2.42 116.42 115.82 1sy9 h ASP 122 Ca 0.06 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1sy9 h ASP 122 Cb 0.98 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.84 1sy9 h ASP 122 CO 0.09 0.31 0.50 -0.08 -1.61 0.00 0.00 179.24 178.46 1sy9 h GLU 123 N 0.50 1.00 -0.98 0.28 4.81 -1.46 -1.84 114.58 116.89 1sy9 h GLU 123 Ca 0.13 -0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.44 1sy9 h GLU 123 Cb -0.05 -0.23 -0.08 0.00 0.63 0.00 0.00 28.75 29.02 1sy9 h GLU 123 CO -0.03 0.66 0.62 0.52 -0.73 0.00 0.00 179.01 180.05 1sy9 h MET 124 N 1.03 0.88 -0.45 1.92 2.86 -1.26 -0.34 114.93 119.56 1sy9 h MET 124 Ca 0.28 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.75 1sy9 h MET 124 Cb -0.12 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.33 1sy9 h MET 124 CO -0.06 0.58 -0.19 0.82 1.06 0.00 0.00 176.91 179.12 1sy9 h ILE 125 N 0.90 1.27 -1.01 -1.22 2.04 -1.07 -3.17 117.51 115.26 1sy9 h ILE 125 Ca 0.49 -1.32 0.03 0.00 1.00 0.00 0.00 64.86 65.06 1sy9 h ILE 125 Cb 0.58 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1sy9 h ILE 125 CO -0.26 0.45 0.66 0.03 0.00 0.00 0.00 178.15 179.03 1sy9 h ARG 126 N 0.78 1.27 -1.01 2.37 3.08 -0.57 0.42 114.38 120.71 1sy9 h ARG 126 Ca 0.11 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1sy9 h ARG 126 Cb 0.73 -0.29 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1sy9 h ARG 126 CO 0.06 0.84 0.66 0.93 -1.07 0.00 0.00 179.97 181.39 1sy9 h GLU 127 N 1.31 1.26 -0.02 0.04 5.08 -1.45 -2.82 114.58 117.97 1sy9 h GLU 127 Ca 0.39 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1sy9 h GLU 127 Cb -0.06 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.91 1sy9 h GLU 127 CO -0.11 0.83 -0.14 0.00 -1.00 0.00 0.00 179.01 178.60 1sy9 n ALA 128 N -2.38 2.77 -1.98 3.43 0.00 -1.00 -4.74 120.51 116.60 1sy9 n ALA 128 Ca 0.13 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 1sy9 n ALA 128 Cb 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 0.63 4.35 -0.14 0.00 2.03 0.14 -4.71 116.55 118.85 1sy9 n ASP 129 Ca 0.10 -2.94 -0.12 0.00 0.52 0.00 0.00 54.79 52.35 1sy9 n ASP 129 Cb 0.43 -1.60 -0.01 0.00 -0.72 0.00 0.00 41.12 39.22 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 3.97 1.28 0.00 5.18 2.04 -1.85 -2.95 117.51 125.17 1sy9 h ILE 130 Ca 0.50 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1sy9 h ILE 130 Cb 0.65 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1sy9 h ILE 130 CO 1.78 0.47 0.00 -2.24 0.00 0.00 0.00 178.15 178.16 1sy9 h ASP 131 N 0.73 0.00 0.00 1.72 2.03 -1.93 -3.46 116.42 115.51 1sy9 h ASP 131 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1sy9 h ASP 131 Cb 0.82 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 1sy9 h ASP 131 CO 0.07 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.89 1sy9 n GLY 132 N 0.06 0.40 0.00 7.15 0.00 -1.12 -4.93 105.19 106.76 1sy9 n GLY 132 Ca 0.01 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 0.15 0.00 1.61 5.75 -1.26 -4.91 116.55 119.84 1sy9 n ASP 133 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 1sy9 n ASP 133 Cb 0.10 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 0.80 3.03 6.12 0.00 -1.26 -5.03 105.19 110.35 1sy9 n GLY 134 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.37 0.47 -0.27 1.61 -0.21 -1.26 -4.94 119.66 114.67 1sy9 s GLN 135 Ca 0.00 -0.63 -0.19 0.00 0.02 0.00 0.00 55.36 54.56 1sy9 s GLN 135 Cb 0.00 -0.24 -0.02 0.00 1.00 0.00 0.00 33.01 33.75 1sy9 s GLN 135 CO 0.00 0.04 0.57 0.08 -2.12 0.00 0.00 175.29 173.86 1sy9 s VAL 136 N -1.16 5.02 0.73 1.09 1.01 -1.26 -4.75 120.40 121.07 1sy9 s VAL 136 Ca -0.09 0.90 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 1sy9 s VAL 136 Cb -0.09 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.51 1sy9 s VAL 136 CO 0.00 0.00 1.02 0.20 0.00 0.00 0.00 175.10 176.32 1sy9 s ASN 137 N 1.56 4.37 0.11 3.32 0.01 -1.26 -3.58 114.94 119.48 1sy9 s ASN 137 Ca 0.23 -0.06 -0.20 0.00 -0.71 0.00 0.00 52.86 52.12 1sy9 s ASN 137 Cb -0.15 -0.39 -0.07 0.00 0.41 0.00 0.00 41.25 41.05 1sy9 s ASN 137 CO 0.10 -1.85 1.74 0.22 -1.51 0.00 0.00 177.10 175.80 1sy9 h TYR 138 N -0.63 0.26 -0.46 2.20 5.03 -1.98 -1.59 116.97 119.81 1sy9 h TYR 138 Ca -0.40 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.92 1sy9 h TYR 138 Cb 1.28 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.45 1sy9 h TYR 138 CO -0.17 0.21 0.30 0.93 -1.32 0.00 0.00 178.16 178.12 1sy9 h GLU 139 N 0.24 0.60 -0.40 1.82 4.39 -1.97 -2.51 114.58 116.75 1sy9 h GLU 139 Ca 0.07 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1sy9 h GLU 139 Cb 0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1sy9 h GLU 139 CO -0.01 0.40 -0.04 0.93 -1.16 0.00 0.00 179.01 179.12 1sy9 h GLU 140 N 0.62 0.67 -0.27 2.33 5.08 -1.85 -2.80 114.58 118.35 1sy9 h GLU 140 Ca 0.17 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sy9 h GLU 140 Cb -0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1sy9 h GLU 140 CO -0.04 0.71 0.18 0.35 -1.00 0.00 0.00 179.01 179.22 1sy9 h PHE 141 N 0.62 0.34 -0.36 4.33 3.57 -0.86 -2.66 116.94 121.92 1sy9 h PHE 141 Ca 0.12 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 1sy9 h PHE 141 Cb 0.46 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1sy9 h PHE 141 CO 0.02 0.22 -0.42 0.28 -2.23 0.00 0.00 178.31 176.18 1sy9 h VAL 142 N 0.37 1.27 0.00 1.41 2.07 -1.42 -3.10 116.25 116.85 1sy9 h VAL 142 Ca 0.10 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1sy9 h VAL 142 Cb -0.04 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1sy9 h VAL 142 CO -0.02 0.53 -0.00 -0.61 0.02 0.00 0.00 177.57 177.49 1sy9 h GLN 143 N 0.74 -0.00 -0.68 1.57 4.15 -1.38 -0.77 115.11 118.74 1sy9 h GLN 143 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1sy9 h GLN 143 Cb 1.01 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 1sy9 h GLN 143 CO 0.10 -0.00 0.43 1.98 -1.93 0.00 0.00 178.83 179.41 1sy9 h MET 144 N -0.00 0.90 -0.40 1.69 4.05 -1.55 0.99 114.93 120.61 1sy9 h MET 144 Ca 0.00 -0.06 -0.16 0.00 -0.28 0.00 0.00 59.70 59.20 1sy9 h MET 144 Cb 0.01 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 1sy9 h MET 144 CO -0.00 0.61 -0.36 0.52 0.23 0.00 0.00 176.91 177.91 1sy9 h MET 145 N 0.92 0.95 -0.71 0.39 2.86 -1.39 -3.05 114.93 114.90 1sy9 h MET 145 Ca 0.25 -0.49 -0.14 0.00 -2.06 0.00 0.00 59.70 57.26 1sy9 h MET 145 Cb -0.08 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.51 1sy9 h MET 145 CO -0.05 1.15 0.18 -2.37 1.06 0.00 0.00 176.91 176.88 1sy9 n THR 146 N -4.06 2.78 -0.17 2.22 5.66 -0.32 -4.54 114.28 115.83 1sy9 n THR 146 Ca -0.02 -1.48 -0.07 0.00 -3.05 0.00 0.00 64.05 59.44 1sy9 n THR 146 Cb 0.54 -0.35 0.02 0.00 -1.55 0.00 0.00 70.33 68.99 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 3.12 0.65 0.00 1.79 0.00 -0.70 -3.49 119.26 120.64 1sy9 h ALA 147 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sy9 h ALA 147 Cb 2.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1sy9 h ALA 147 CO 0.64 0.09 0.00 1.63 0.00 0.00 0.00 179.25 181.61