#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy9 h ASP 2 N 0.00 1.14 0.00 0.00 3.32 -2.04 -3.43 116.42 115.42 1sy9 h ASP 2 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1sy9 h ASP 2 Cb 0.00 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.26 1sy9 h ASP 2 CO 0.00 0.87 0.00 0.00 -1.72 0.00 0.00 179.24 178.39 1sy9 n GLN 3 N -4.36 0.00 0.00 3.56 6.02 -1.26 -5.08 117.38 116.26 1sy9 n GLN 3 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1sy9 n GLN 3 Cb 0.05 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.31 1sy9 n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1sy9 n LEU 4 N -0.00 0.00 -3.30 1.08 4.77 -1.26 -5.05 117.00 113.23 1sy9 n LEU 4 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1sy9 n LEU 4 Cb 0.00 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1sy9 n LEU 4 CO 0.00 -0.10 -0.02 0.42 -1.33 0.00 0.00 177.39 176.36 1sy9 s THR 5 N -0.20 -0.69 0.18 -5.08 -4.23 -1.26 -3.87 115.64 100.49 1sy9 s THR 5 Ca 0.00 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.34 1sy9 s THR 5 Cb 0.00 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1sy9 s THR 5 CO 0.00 -0.13 1.51 -0.33 -0.54 0.00 0.00 174.62 175.13 1sy9 h GLU 6 N 8.14 0.75 -0.13 3.99 5.08 -1.96 -3.32 114.58 127.13 1sy9 h GLU 6 Ca -0.17 -0.41 0.03 0.00 -1.00 0.00 0.00 59.36 57.81 1sy9 h GLU 6 Cb 1.15 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1sy9 h GLU 6 CO 0.27 1.03 -0.52 0.93 -1.00 0.00 0.00 179.01 179.72 1sy9 h GLU 7 N 0.60 -0.53 -0.14 2.33 5.08 -2.02 -0.76 114.58 119.13 1sy9 h GLU 7 Ca 0.04 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1sy9 h GLU 7 Cb 0.99 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1sy9 h GLU 7 CO 0.09 -0.35 0.22 1.96 -1.00 0.00 0.00 179.01 179.93 1sy9 h GLN 8 N -0.55 0.00 0.34 2.33 4.20 -2.01 -2.66 115.11 116.76 1sy9 h GLN 8 Ca 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1sy9 h GLN 8 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1sy9 h GLN 8 CO -0.42 0.00 -0.16 0.82 -0.67 0.00 0.00 178.83 178.40 1sy9 h ILE 9 N 0.00 0.67 0.00 2.54 1.08 -1.23 -1.78 117.51 118.79 1sy9 h ILE 9 Ca 0.07 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 1sy9 h ILE 9 Cb 0.51 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1sy9 h ILE 9 CO -0.00 0.00 -0.04 0.00 -0.69 0.00 0.00 178.15 177.42 1sy9 h ALA 10 N 0.21 1.65 -0.61 1.87 0.00 -1.51 -1.85 119.26 119.03 1sy9 h ALA 10 Ca -0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1sy9 h ALA 10 Cb 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1sy9 h ALA 10 CO 0.08 0.05 -0.01 1.49 0.00 0.00 0.00 179.25 180.85 1sy9 h GLU 11 N 0.00 1.08 0.00 0.00 4.81 -1.29 -2.22 114.58 116.95 1sy9 h GLU 11 Ca -0.00 -0.35 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 1sy9 h GLU 11 Cb 0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1sy9 h GLU 11 CO 0.01 1.06 -0.24 0.74 -0.73 0.00 0.00 179.01 179.84 1sy9 h PHE 12 N 0.98 0.00 -0.38 0.92 0.04 -0.66 -2.57 116.94 115.27 1sy9 h PHE 12 Ca 0.17 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.78 1sy9 h PHE 12 Cb 0.58 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 1sy9 h PHE 12 CO 0.04 0.24 -0.41 -0.22 -0.60 0.00 0.00 178.31 177.37 1sy9 h LYS 13 N 0.00 0.94 0.41 1.51 3.64 -1.14 -2.01 116.57 119.92 1sy9 h LYS 13 Ca -0.00 -0.51 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1sy9 h LYS 13 Cb 0.67 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1sy9 h LYS 13 CO 0.03 1.16 -0.20 0.93 -2.27 0.00 0.00 179.45 179.11 1sy9 h GLU 14 N 0.76 -0.53 0.00 1.90 4.39 -1.01 -2.88 114.58 117.20 1sy9 h GLU 14 Ca 0.06 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1sy9 h GLU 14 Cb 1.01 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1sy9 h GLU 14 CO 0.10 -0.35 -0.11 0.00 -1.16 0.00 0.00 179.01 177.49 1sy9 h ALA 15 N 0.02 1.04 -0.32 3.43 0.00 -1.57 -3.23 119.26 118.63 1sy9 h ALA 15 Ca -0.06 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sy9 h ALA 15 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1sy9 h ALA 15 CO 0.09 0.14 0.16 0.35 0.00 0.00 0.00 179.25 179.99 1sy9 h PHE 16 N 0.00 0.29 -0.67 0.00 3.04 -1.13 0.36 116.94 118.83 1sy9 h PHE 16 Ca -0.00 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1sy9 h PHE 16 Cb 0.59 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 1sy9 h PHE 16 CO 0.00 0.16 0.31 0.77 -2.02 0.00 0.00 178.31 177.53 1sy9 h SER 17 N 0.33 0.87 -0.62 0.41 0.02 -1.60 0.25 113.55 113.20 1sy9 h SER 17 Ca 0.13 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 1sy9 h SER 17 Cb 0.05 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1sy9 h SER 17 CO -0.09 0.75 0.02 0.25 -1.14 0.00 0.00 176.83 176.62 1sy9 h LEU 18 N 0.96 1.06 -0.53 5.07 5.85 -1.40 -2.79 115.31 123.53 1sy9 h LEU 18 Ca 0.23 -0.29 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 1sy9 h LEU 18 Cb 0.12 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1sy9 h LEU 18 CO -0.03 1.10 -0.38 -0.26 -0.34 0.00 0.00 178.44 178.53 1sy9 h PHE 19 N 1.00 0.93 -2.77 1.25 0.04 0.53 -3.38 116.94 114.53 1sy9 h PHE 19 Ca 0.18 -0.27 -0.68 0.00 2.80 0.00 0.00 57.97 60.00 1sy9 h PHE 19 Cb 0.54 -0.20 -0.18 0.00 2.20 0.00 0.00 35.95 38.31 1sy9 h PHE 19 CO 0.04 1.04 0.39 0.34 -0.60 0.00 0.00 178.31 179.52 1sy9 s ASP 20 N -6.84 6.29 0.32 2.17 -1.08 0.79 -4.81 116.67 113.51 1sy9 s ASP 20 Ca -0.09 -1.46 -0.01 0.00 -0.52 0.00 0.00 52.55 50.47 1sy9 s ASP 20 Cb 0.12 -2.35 0.51 0.00 -1.46 0.00 0.00 42.92 39.73 1sy9 s ASP 20 CO 0.86 -1.19 1.98 0.11 0.52 0.00 0.00 175.17 177.45 1sy9 h LYS 21 N 9.18 1.00 0.00 4.34 1.79 -1.75 -1.91 116.57 129.21 1sy9 h LYS 21 Ca -0.19 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1sy9 h LYS 21 Cb 1.07 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1sy9 h LYS 21 CO 1.11 0.66 -0.00 -0.25 -1.08 0.00 0.00 179.45 179.89 1sy9 n ASP 22 N -4.42 0.16 -2.21 0.86 8.00 -1.26 -4.89 116.55 112.79 1sy9 n ASP 22 Ca 0.08 0.51 -0.18 0.00 0.71 0.00 0.00 54.79 55.92 1sy9 n ASP 22 Cb 0.03 -0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 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 1.46 0.02 0.15 0.44 0.00 -0.72 -4.82 105.19 101.73 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 -1.74 0.70 0.00 1.61 5.75 -1.26 -4.92 116.55 116.69 1sy9 n ASP 24 Ca -0.21 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.95 1sy9 n ASP 24 Cb 0.65 0.04 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 1.35 0.75 3.03 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 -2.20 0.01 -0.26 2.61 -4.23 -1.26 -4.39 115.64 105.92 1sy9 s THR 26 Ca 0.00 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.32 1sy9 s THR 26 Cb 0.00 -0.23 -0.05 0.00 1.34 0.00 0.00 72.50 73.57 1sy9 s THR 26 CO 0.00 -0.05 0.16 -0.63 -0.54 0.00 0.00 174.62 173.56 1sy9 s ILE 27 N -0.10 5.16 -0.11 2.99 1.01 -1.22 -4.90 121.20 124.03 1sy9 s ILE 27 Ca -0.02 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 1sy9 s ILE 27 Cb -0.02 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1sy9 s ILE 27 CO 0.00 0.30 0.20 -0.89 0.00 0.00 0.00 174.94 174.56 1sy9 s THR 28 N 1.45 5.39 0.57 2.92 2.01 -1.26 -3.84 115.64 122.88 1sy9 s THR 28 Ca 0.07 0.36 0.42 0.00 0.31 0.00 0.00 61.69 62.84 1sy9 s THR 28 Cb -0.15 -3.49 0.62 0.00 0.01 0.00 0.00 72.50 69.49 1sy9 s THR 28 CO 0.07 0.57 1.60 0.71 -0.69 0.00 0.00 174.62 176.88 1sy9 h THR 29 N 4.07 0.12 0.03 -0.82 1.35 -1.92 0.34 112.91 116.07 1sy9 h THR 29 Ca -0.52 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1sy9 h THR 29 Cb 1.21 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1sy9 h THR 29 CO 0.62 0.00 -0.02 0.50 -0.25 0.00 0.00 175.52 176.38 1sy9 h LYS 30 N 0.00 -0.04 0.64 4.72 3.64 -1.99 -1.91 116.57 121.63 1sy9 h LYS 30 Ca 0.73 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 60.08 1sy9 h LYS 30 Cb 3.14 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 34.97 1sy9 h LYS 30 CO -0.01 0.26 -0.31 0.93 -2.27 0.00 0.00 179.45 178.05 1sy9 h GLU 31 N -0.34 -0.83 -0.39 1.90 5.08 -0.72 -2.96 114.58 116.31 1sy9 h GLU 31 Ca -0.00 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1sy9 h GLU 31 Cb 0.32 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1sy9 h GLU 31 CO 0.01 -0.55 0.21 1.25 -1.00 0.00 0.00 179.01 178.92 1sy9 h LEU 32 N -0.87 0.48 -1.85 1.33 5.85 -1.60 -2.36 115.31 116.29 1sy9 h LEU 32 Ca -0.09 -0.03 0.28 0.00 0.84 0.00 0.00 57.88 58.88 1sy9 h LEU 32 Cb 0.67 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1sy9 h LEU 32 CO 0.15 0.39 0.70 1.23 -0.34 0.00 0.00 178.44 180.57 1sy9 h GLY 33 N 0.63 0.29 1.09 3.75 0.00 -1.16 0.25 103.07 107.92 1sy9 h GLY 33 Ca 0.14 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 1sy9 h GLY 33 CO -0.02 -0.02 -0.11 -0.84 0.00 0.00 0.00 176.54 175.54 1sy9 h THR 34 N 0.11 1.27 -0.73 4.70 2.02 -1.47 -2.65 112.91 116.15 1sy9 h THR 34 Ca 0.50 -1.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 1sy9 h THR 34 Cb 1.78 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1sy9 h THR 34 CO -0.07 0.45 0.20 0.58 0.37 0.00 0.00 175.52 177.05 1sy9 h VAL 35 N 0.91 1.26 -0.84 3.16 2.07 -0.65 -2.68 116.25 119.48 1sy9 h VAL 35 Ca 0.14 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1sy9 h VAL 35 Cb 0.68 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1sy9 h VAL 35 CO 0.05 0.37 0.56 0.24 0.02 0.00 0.00 177.57 178.81 1sy9 h MET 36 N 1.10 1.11 -0.82 1.57 2.86 -1.19 -2.25 114.93 117.32 1sy9 h MET 36 Ca 0.23 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1sy9 h MET 36 Cb 0.35 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 1sy9 h MET 36 CO -0.00 0.74 0.35 0.00 1.06 0.00 0.00 176.91 179.06 1sy9 h ARG 37 N 1.15 1.21 -0.05 1.72 3.08 -1.14 -2.46 114.38 117.89 1sy9 h ARG 37 Ca 0.31 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1sy9 h ARG 37 Cb -0.13 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.72 1sy9 h ARG 37 CO -0.07 0.96 0.05 1.03 -1.07 0.00 0.00 179.97 180.87 1sy9 h SER 38 N 1.19 0.00 1.09 7.04 0.87 -1.26 0.17 113.55 122.65 1sy9 h SER 38 Ca 0.28 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.71 1sy9 h SER 38 Cb 0.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1sy9 h SER 38 CO -0.03 0.00 -0.96 0.25 -0.53 0.00 0.00 176.83 175.56 1sy9 h LEU 39 N 0.00 0.00 0.00 2.23 5.85 -1.41 -3.48 115.31 118.50 1sy9 h LEU 39 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sy9 h LEU 39 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1sy9 h LEU 39 CO -0.00 0.49 0.00 0.61 -0.34 0.00 0.00 178.44 179.20 1sy9 n GLY 40 N 1.30 -1.18 3.82 3.75 0.00 0.05 -5.00 105.19 107.92 1sy9 n GLY 40 Ca -0.04 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.41 1sy9 n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sy9 s GLN 41 N 0.00 1.61 0.17 1.61 -2.07 -1.01 -4.76 119.66 115.23 1sy9 s GLN 41 Ca 0.00 -0.93 0.10 0.00 -1.82 0.00 0.00 55.36 52.70 1sy9 s GLN 41 Cb 0.00 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.40 1sy9 s GLN 41 CO 0.00 -0.74 -0.15 0.54 -1.32 0.00 0.00 175.29 173.61 1sy9 s ASN 42 N -2.99 3.94 0.00 12.60 4.22 -1.26 -3.52 114.94 127.93 1sy9 s ASN 42 Ca 0.13 -0.66 0.00 0.00 -2.14 0.00 0.00 52.86 50.19 1sy9 s ASN 42 Cb -0.04 -0.55 0.00 0.00 1.28 0.00 0.00 41.25 41.94 1sy9 s ASN 42 CO 0.06 0.12 0.00 -0.81 -2.04 0.00 0.00 177.10 174.43 1sy9 n PRO 43 N 0.24 2.61 -4.46 3.55 -0.04 -1.26 -5.00 135.00 130.64 1sy9 n PRO 43 Ca -0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.12 1sy9 n PRO 43 Cb 0.55 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.91 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 1.56 0.38 0.52 -4.23 -1.26 -4.95 115.64 107.65 1sy9 s THR 44 Ca 0.00 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1sy9 s THR 44 Cb 0.00 -2.61 0.28 0.00 1.34 0.00 0.00 72.50 71.51 1sy9 s THR 44 CO 0.00 -0.18 2.01 -0.33 -0.54 0.00 0.00 174.62 175.57 1sy9 h GLU 45 N 2.17 0.69 -0.05 3.99 5.08 -1.98 0.99 114.58 125.48 1sy9 h GLU 45 Ca -0.41 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1sy9 h GLU 45 Cb 1.24 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1sy9 h GLU 45 CO 0.69 0.46 -0.15 0.00 -1.00 0.00 0.00 179.01 179.01 1sy9 h ALA 46 N 1.65 0.08 -0.32 3.43 0.00 -2.01 -3.06 119.26 119.03 1sy9 h ALA 46 Ca 0.24 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1sy9 h ALA 46 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sy9 h ALA 46 CO -0.06 0.00 -0.23 0.93 0.00 0.00 0.00 179.25 179.88 1sy9 h GLU 47 N -0.36 0.63 -0.67 0.00 5.08 -1.85 -2.63 114.58 114.78 1sy9 h GLU 47 Ca -0.01 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1sy9 h GLU 47 Cb 0.77 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1sy9 h GLU 47 CO 0.03 0.81 0.44 -0.07 -1.00 0.00 0.00 179.01 179.23 1sy9 h LEU 48 N 0.55 0.64 -0.60 1.33 3.38 0.98 -1.99 115.31 119.61 1sy9 h LEU 48 Ca 0.08 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1sy9 h LEU 48 Cb 0.70 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1sy9 h LEU 48 CO 0.05 0.43 -0.07 -0.61 0.09 0.00 0.00 178.44 178.33 1sy9 h GLN 49 N 0.74 1.04 -0.65 1.13 -0.00 -1.36 -2.94 115.11 113.06 1sy9 h GLN 49 Ca 0.28 -0.36 -0.09 0.00 -0.00 0.00 0.00 58.65 58.48 1sy9 h GLN 49 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.55 1sy9 h GLN 49 CO -0.08 1.05 0.07 0.22 0.00 0.00 0.00 178.83 180.09 1sy9 h ASP 50 N 0.93 1.07 -0.29 -0.69 1.82 -1.31 -1.70 116.42 116.25 1sy9 h ASP 50 Ca 0.15 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1sy9 h ASP 50 Cb 0.64 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 1sy9 h ASP 50 CO 0.04 1.08 0.19 0.24 -1.61 0.00 0.00 179.24 179.18 1sy9 h MET 51 N 1.02 0.38 -0.40 0.28 2.86 -1.40 -2.25 114.93 115.43 1sy9 h MET 51 Ca 0.19 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 1sy9 h MET 51 Cb 0.49 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1sy9 h MET 51 CO 0.02 0.26 -0.02 0.82 1.06 0.00 0.00 176.91 179.05 1sy9 h ILE 52 N 0.38 1.23 -0.50 -1.22 1.08 -1.41 -3.00 117.51 114.07 1sy9 h ILE 52 Ca 0.10 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1sy9 h ILE 52 Cb -0.03 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 1sy9 h ILE 52 CO -0.02 0.33 0.32 -1.13 -0.69 0.00 0.00 178.15 176.96 1sy9 h ASN 53 N 0.62 0.58 0.58 1.72 -0.73 -0.73 0.67 115.58 118.29 1sy9 h ASN 53 Ca 0.12 -0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.18 1sy9 h ASN 53 Cb 0.42 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1sy9 h ASN 53 CO 0.02 0.43 -0.42 -0.08 -0.37 0.00 0.00 177.43 177.01 1sy9 h GLU 54 N 0.67 0.00 -0.00 6.67 4.81 -1.38 -2.93 114.58 122.42 1sy9 h GLU 54 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1sy9 h GLU 54 Cb -0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1sy9 h GLU 54 CO -0.04 0.42 -0.71 0.28 -0.73 0.00 0.00 179.01 178.24 1sy9 n VAL 55 N -3.81 0.00 -2.28 0.32 0.31 -0.99 -4.84 118.33 107.04 1sy9 n VAL 55 Ca -0.01 -0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 63.85 1sy9 n VAL 55 Cb 0.48 0.79 -0.03 0.00 -0.91 0.00 0.00 33.84 34.17 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 -2.86 5.86 0.21 4.52 1.01 0.23 -4.84 116.67 120.80 1sy9 s ASP 56 Ca 0.12 0.26 -0.03 0.00 0.71 0.00 0.00 52.55 53.62 1sy9 s ASP 56 Cb 0.17 -2.54 0.16 0.00 1.01 0.00 0.00 42.92 41.72 1sy9 s ASP 56 CO 0.74 -1.92 1.56 0.00 0.21 0.00 0.00 175.17 175.75 1sy9 h ALA 57 N 12.18 0.78 0.00 5.23 0.00 -1.88 -3.22 119.26 132.35 1sy9 h ALA 57 Ca -0.27 -0.46 -0.21 0.00 0.00 0.00 0.00 54.91 53.97 1sy9 h ALA 57 Cb 1.11 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1sy9 h ALA 57 CO 1.19 0.66 -1.66 -0.40 0.00 0.00 0.00 179.25 179.04 1sy9 n ASP 58 N -4.01 0.67 0.00 0.00 5.75 -1.26 -4.98 116.55 112.72 1sy9 n ASP 58 Ca -0.02 0.30 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 1sy9 n ASP 58 Cb 0.54 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 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 1.47 0.62 0.14 6.12 0.00 -1.22 -4.96 105.19 107.36 1sy9 n GLY 59 Ca -0.14 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.17 1sy9 h ASN 60 CO 0.00 0.94 0.00 0.61 0.07 0.00 0.00 177.43 179.05 1sy9 n GLY 61 N 0.64 1.00 3.25 9.14 0.00 -1.26 -5.11 105.19 112.85 1sy9 n GLY 61 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1sy9 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sy9 s THR 62 N -2.00 0.24 -0.25 2.61 -4.23 -1.26 -4.88 115.64 105.87 1sy9 s THR 62 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1sy9 s THR 62 Cb 0.00 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 1sy9 s THR 62 CO 0.00 -0.01 0.07 -0.63 -0.54 0.00 0.00 174.62 173.51 1sy9 s ILE 63 N -3.99 4.37 0.45 2.99 1.01 -1.25 -4.85 121.20 119.94 1sy9 s ILE 63 Ca 0.38 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.94 1sy9 s ILE 63 Cb 0.07 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.52 1sy9 s ILE 63 CO 0.12 0.34 0.62 -1.81 0.00 0.00 0.00 174.94 174.22 1sy9 s ASP 64 N 1.55 5.56 0.22 3.58 1.01 -1.26 -3.39 116.67 123.94 1sy9 s ASP 64 Ca 0.06 -0.31 -0.11 0.00 0.71 0.00 0.00 52.55 52.91 1sy9 s ASP 64 Cb -0.15 -0.73 0.31 0.00 1.01 0.00 0.00 42.92 43.36 1sy9 s ASP 64 CO 0.04 -0.86 1.64 0.15 0.21 0.00 0.00 175.17 176.35 1sy9 h PHE 65 N 0.49 -0.16 -0.07 4.23 3.57 -2.00 0.87 116.94 123.88 1sy9 h PHE 65 Ca -0.41 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.00 1sy9 h PHE 65 Cb 1.28 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1sy9 h PHE 65 CO 0.39 -0.23 -0.60 -1.00 -2.23 0.00 0.00 178.31 174.65 1sy9 h PRO 66 N 0.07 0.23 -0.24 6.41 0.13 -1.98 -2.92 132.00 133.70 1sy9 h PRO 66 Ca 0.34 -0.16 -0.20 0.00 -0.87 0.00 0.00 66.00 65.11 1sy9 h PRO 66 Cb 0.55 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1sy9 h PRO 66 CO -0.61 0.76 -0.64 1.49 -0.23 0.00 0.00 178.00 178.77 1sy9 h GLU 67 N 0.17 0.86 -0.67 0.86 4.81 -1.64 -2.93 114.58 116.04 1sy9 h GLU 67 Ca -0.01 -0.60 -0.04 0.00 -0.13 0.00 0.00 59.36 58.59 1sy9 h GLU 67 Cb 1.09 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1sy9 h GLU 67 CO 0.09 1.22 0.27 0.35 -0.73 0.00 0.00 179.01 180.22 1sy9 h PHE 68 N 0.63 1.03 -0.40 0.92 3.04 -0.86 -3.07 116.94 118.22 1sy9 h PHE 68 Ca -0.01 -0.08 -0.16 0.00 3.98 0.00 0.00 57.97 61.70 1sy9 h PHE 68 Cb 1.26 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 1sy9 h PHE 68 CO 0.08 0.80 -0.37 -0.07 -2.02 0.00 0.00 178.31 176.73 1sy9 h LEU 69 N 0.95 1.01 -0.22 0.59 3.38 -1.54 -2.73 115.31 116.76 1sy9 h LEU 69 Ca 0.22 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1sy9 h LEU 69 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1sy9 h LEU 69 CO -0.02 1.26 0.14 0.71 0.09 0.00 0.00 178.44 180.63 1sy9 h THR 70 N 0.78 1.06 -0.41 0.22 1.35 -1.46 -2.81 112.91 111.64 1sy9 h THR 70 Ca 0.07 -0.10 -0.13 0.00 -0.55 0.00 0.00 66.41 65.69 1sy9 h THR 70 Cb 0.96 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1sy9 h THR 70 CO 0.09 0.05 -0.27 -0.03 -0.25 0.00 0.00 175.52 175.11 1sy9 h MET 71 N 0.29 0.89 0.00 4.72 1.85 -1.58 -3.06 114.93 118.04 1sy9 h MET 71 Ca 0.08 -0.40 -0.00 0.00 -0.61 0.00 0.00 59.70 58.77 1sy9 h MET 71 Cb -0.03 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 31.98 1sy9 h MET 71 CO -0.02 1.05 -0.00 1.98 -0.40 0.00 0.00 176.91 179.52 1sy9 h MET 72 N 0.75 -0.00 0.00 0.39 -1.53 -1.34 -2.53 114.93 110.67 1sy9 h MET 72 Ca 0.09 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.30 1sy9 h MET 72 Cb 0.83 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.88 1sy9 h MET 72 CO 0.07 -0.00 -0.25 0.00 0.14 0.00 0.00 176.91 176.87 1sy9 h ALA 73 N 0.99 1.09 0.11 0.39 0.00 -1.57 -2.99 119.26 117.29 1sy9 h ALA 73 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1sy9 h ALA 73 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sy9 h ALA 73 CO 0.00 0.31 -0.05 -0.09 0.00 0.00 0.00 179.25 179.42 1sy9 h ARG 74 N 0.00 -0.14 -0.40 0.00 1.12 -1.40 -3.36 114.38 110.20 1sy9 h ARG 74 Ca -0.00 0.01 -0.16 0.00 -1.11 0.00 0.00 59.98 58.72 1sy9 h ARG 74 Cb 0.69 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.68 1sy9 h ARG 74 CO 0.03 0.09 -0.37 -0.22 -3.11 0.00 0.00 179.97 176.40 1sy9 h LYS 75 N -1.01 0.95 -1.00 0.20 1.63 -1.57 -3.28 116.57 112.49 1sy9 h LYS 75 Ca -0.02 -0.49 0.14 0.00 -0.85 0.00 0.00 60.65 59.43 1sy9 h LYS 75 Cb 0.30 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.86 1sy9 h LYS 75 CO 0.03 1.15 0.63 0.52 -3.45 0.00 0.00 179.45 178.32 1sy9 h MET 76 N 0.78 0.91 -0.10 1.90 2.86 -1.72 -2.07 114.93 117.50 1sy9 h MET 76 Ca 0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1sy9 h MET 76 Cb 0.97 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1sy9 h MET 76 CO 0.09 0.61 0.06 -0.22 1.06 0.00 0.00 176.91 178.51 1sy9 h LYS 77 N 0.94 0.13 0.00 1.72 3.64 -1.71 -2.03 116.57 119.25 1sy9 h LYS 77 Ca 0.52 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.86 1sy9 h LYS 77 Cb 0.58 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1sy9 h LYS 77 CO -0.29 0.08 -0.12 0.22 -2.27 0.00 0.00 179.45 177.08 1sy9 h ASP 78 N 0.13 0.00 -2.16 4.20 1.82 -1.54 -3.43 116.42 115.44 1sy9 h ASP 78 Ca 0.04 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.54 1sy9 h ASP 78 Cb -0.01 0.00 0.07 0.00 0.68 0.00 0.00 39.33 40.06 1sy9 h ASP 78 CO -0.01 0.12 0.04 0.41 -1.61 0.00 0.00 179.24 178.19 1sy9 n THR 79 N -4.02 0.00 -4.64 2.25 -1.04 -0.76 -5.07 114.28 101.00 1sy9 n THR 79 Ca -0.02 -0.17 -0.22 0.00 -2.04 0.00 0.00 64.05 61.59 1sy9 n THR 79 Cb 0.20 -1.09 -0.15 0.00 -1.82 0.00 0.00 70.33 67.47 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 -2.54 1.64 0.38 8.00 1.01 -1.26 -5.02 116.67 118.88 1sy9 s ASP 80 Ca 0.25 -0.25 0.17 0.00 0.71 0.00 0.00 52.55 53.43 1sy9 s ASP 80 Cb -0.02 -0.20 0.75 0.00 1.01 0.00 0.00 42.92 44.45 1sy9 s ASP 80 CO 0.19 0.17 1.79 -1.28 0.21 0.00 0.00 175.17 176.24 1sy9 h SER 81 N 5.83 0.00 -0.63 0.27 0.87 -1.95 -2.94 113.55 115.00 1sy9 h SER 81 Ca -0.34 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1sy9 h SER 81 Cb 1.16 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 1sy9 h SER 81 CO 0.49 0.37 0.42 -0.33 -0.53 0.00 0.00 176.83 177.25 1sy9 h GLU 82 N 0.00 0.83 -0.37 2.24 5.08 -2.01 -2.26 114.58 118.10 1sy9 h GLU 82 Ca -0.00 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1sy9 h GLU 82 Cb 0.79 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1sy9 h GLU 82 CO 0.05 0.55 -0.42 0.93 -1.00 0.00 0.00 179.01 179.12 1sy9 h GLU 83 N 0.86 0.93 -0.87 2.33 5.08 -1.95 -2.96 114.58 118.01 1sy9 h GLU 83 Ca 0.23 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1sy9 h GLU 83 Cb -0.10 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1sy9 h GLU 83 CO -0.05 1.16 0.47 0.93 -1.00 0.00 0.00 179.01 180.52 1sy9 h GLU 84 N 0.75 1.21 -0.32 2.33 5.08 -1.44 -2.83 114.58 119.37 1sy9 h GLU 84 Ca 0.05 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1sy9 h GLU 84 Cb 1.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1sy9 h GLU 84 CO 0.10 0.89 -0.06 0.82 -1.00 0.00 0.00 179.01 179.76 1sy9 h ILE 85 N 1.21 1.27 -1.00 3.13 2.04 -1.44 -2.57 117.51 120.16 1sy9 h ILE 85 Ca 0.30 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 65.10 1sy9 h ILE 85 Cb 0.04 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1sy9 h ILE 85 CO -0.05 0.35 0.66 0.03 0.00 0.00 0.00 178.15 179.14 1sy9 h ARG 86 N 0.38 1.30 0.01 2.37 3.08 -1.34 -2.47 114.38 117.71 1sy9 h ARG 86 Ca 0.08 -0.08 -0.27 0.00 0.07 0.00 0.00 59.98 59.79 1sy9 h ARG 86 Cb 0.54 -0.29 0.02 0.00 0.08 0.00 0.00 29.97 30.32 1sy9 h ARG 86 CO 0.03 0.86 -1.06 0.93 -1.07 0.00 0.00 179.97 179.66 1sy9 h GLU 87 N 1.34 0.69 -0.24 0.04 5.08 -1.50 -3.02 114.58 116.98 1sy9 h GLU 87 Ca 0.37 -0.76 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1sy9 h GLU 87 Cb -0.13 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1sy9 h GLU 87 CO -0.09 1.33 0.06 0.00 -1.00 0.00 0.00 179.01 179.31 1sy9 h ALA 88 N 0.40 0.31 -0.53 3.43 0.00 -1.34 -2.15 119.26 119.39 1sy9 h ALA 88 Ca -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1sy9 h ALA 88 Cb 1.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1sy9 h ALA 88 CO 0.21 -0.04 0.28 0.35 0.00 0.00 0.00 179.25 180.05 1sy9 h PHE 89 N 0.21 0.73 -0.70 0.00 3.04 -1.56 -2.31 116.94 116.35 1sy9 h PHE 89 Ca 0.08 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.01 1sy9 h PHE 89 Cb 0.27 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.52 1sy9 h PHE 89 CO 0.01 0.54 0.46 -0.09 -2.02 0.00 0.00 178.31 177.21 1sy9 h ARG 90 N 0.70 0.92 -0.06 1.11 2.43 -1.42 0.11 114.38 118.17 1sy9 h ARG 90 Ca 0.18 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1sy9 h ARG 90 Cb 0.06 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1sy9 h ARG 90 CO -0.03 0.61 -0.06 0.28 -1.51 0.00 0.00 179.97 179.26 1sy9 h VAL 91 N 0.94 1.37 -0.48 0.20 2.07 -1.00 -3.26 116.25 116.10 1sy9 h VAL 91 Ca 0.25 -1.21 -0.13 0.00 0.82 0.00 0.00 66.70 66.43 1sy9 h VAL 91 Cb -0.11 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1sy9 h VAL 91 CO -0.05 0.33 -0.21 -0.26 0.02 0.00 0.00 177.57 177.40 1sy9 h PHE 92 N -0.30 1.12 -0.23 1.57 0.04 -1.22 -3.32 116.94 114.59 1sy9 h PHE 92 Ca 0.01 -0.26 -0.71 0.00 2.80 0.00 0.00 57.97 59.81 1sy9 h PHE 92 Cb 0.56 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 1sy9 h PHE 92 CO 0.09 1.08 2.91 -3.47 -0.60 0.00 0.00 178.31 178.32 1sy9 n ASP 93 N -4.11 4.13 -0.06 2.17 2.03 0.36 -4.74 116.55 116.32 1sy9 n ASP 93 Ca 0.00 -2.87 -0.10 0.00 0.52 0.00 0.00 54.79 52.35 1sy9 n ASP 93 Cb 0.45 -1.67 -0.03 0.00 -0.72 0.00 0.00 41.12 39.16 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 6.30 0.33 0.00 -0.67 1.57 -1.74 -2.25 116.57 120.11 1sy9 h LYS 94 Ca 0.54 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.25 1sy9 h LYS 94 Cb 0.69 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1sy9 h LYS 94 CO 1.79 0.22 -0.23 0.38 -0.57 0.00 0.00 179.45 181.04 1sy9 h ASP 95 N 0.34 0.00 -0.65 0.86 2.03 -1.94 -3.46 116.42 113.60 1sy9 h ASP 95 Ca 0.09 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.19 1sy9 h ASP 95 Cb -0.04 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.40 1sy9 h ASP 95 CO -0.02 0.23 -0.20 0.61 -1.03 0.00 0.00 179.24 178.84 1sy9 n GLY 96 N 0.04 0.90 0.17 7.15 0.00 -0.85 -4.88 105.19 107.73 1sy9 n GLY 96 Ca -0.00 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.58 1sy9 n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1sy9 h ASN 97 N 0.00 0.00 0.00 1.61 -1.07 -1.90 -3.45 115.58 110.76 1sy9 h ASN 97 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.16 1sy9 h ASN 97 Cb 0.74 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 1sy9 h ASN 97 CO 0.29 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.40 1sy9 n GLY 98 N -0.36 1.19 3.03 9.14 0.00 -1.26 -5.06 105.19 111.87 1sy9 n GLY 98 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.25 0.82 -0.23 1.61 1.51 -1.26 -4.22 117.35 113.33 1sy9 s TYR 99 Ca 0.00 -0.19 -0.21 0.00 -1.01 0.00 0.00 57.07 55.66 1sy9 s TYR 99 Cb 0.00 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.31 1sy9 s TYR 99 CO 0.00 -0.01 0.64 0.42 -1.11 0.00 0.00 175.55 175.49 1sy9 s ILE 100 N -0.35 4.99 0.69 2.71 1.01 -1.16 -4.97 121.20 124.11 1sy9 s ILE 100 Ca 0.02 1.18 -0.07 0.00 0.00 0.00 0.00 60.65 61.78 1sy9 s ILE 100 Cb -0.04 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1sy9 s ILE 100 CO -0.00 0.05 1.01 -0.44 0.00 0.00 0.00 174.94 175.56 1sy9 s SER 101 N 1.37 4.95 0.19 3.58 0.01 -1.26 -4.21 113.70 118.34 1sy9 s SER 101 Ca 0.28 0.55 -0.04 0.00 1.31 0.00 0.00 55.95 58.04 1sy9 s SER 101 Cb -0.16 -1.26 0.12 0.00 0.21 0.00 0.00 66.02 64.94 1sy9 s SER 101 CO 0.09 -1.52 1.54 0.00 0.41 0.00 0.00 173.24 173.76 1sy9 h ALA 102 N -0.56 0.74 -0.49 1.44 0.00 -1.96 -2.85 119.26 115.57 1sy9 h ALA 102 Ca -0.45 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 53.95 1sy9 h ALA 102 Cb 1.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1sy9 h ALA 102 CO 0.61 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.61 1sy9 h ALA 103 N 0.98 1.24 -0.54 0.00 0.00 -2.00 -2.39 119.26 116.54 1sy9 h ALA 103 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1sy9 h ALA 103 Cb 0.97 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1sy9 h ALA 103 CO 0.09 0.52 -0.11 0.93 0.00 0.00 0.00 179.25 180.68 1sy9 h GLU 104 N 0.72 1.04 -0.55 0.00 5.08 -1.88 -2.51 114.58 116.47 1sy9 h GLU 104 Ca 0.16 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1sy9 h GLU 104 Cb 0.32 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1sy9 h GLU 104 CO 0.00 1.08 0.15 -0.07 -1.00 0.00 0.00 179.01 179.17 1sy9 h LEU 105 N 0.91 0.83 -0.87 1.33 -0.00 -1.28 -2.98 115.31 113.26 1sy9 h LEU 105 Ca 0.14 -0.23 -0.04 0.00 -0.00 0.00 0.00 57.88 57.75 1sy9 h LEU 105 Cb 0.68 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 41.09 1sy9 h LEU 105 CO 0.05 0.84 0.33 -0.09 -0.00 0.00 0.00 178.44 179.57 1sy9 h ARG 106 N 0.78 1.16 -0.14 1.13 2.43 -1.33 -2.68 114.38 115.73 1sy9 h ARG 106 Ca 0.18 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sy9 h ARG 106 Cb 0.32 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1sy9 h ARG 106 CO -0.00 0.92 0.09 1.25 -1.51 0.00 0.00 179.97 180.72 1sy9 h HIS 107 N 1.13 0.18 0.02 2.20 2.76 -1.29 -2.22 115.15 117.92 1sy9 h HIS 107 Ca 0.26 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.44 1sy9 h HIS 107 Cb 0.19 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1sy9 h HIS 107 CO 0.02 0.13 -0.01 0.28 -1.30 0.00 0.00 177.93 177.05 1sy9 h VAL 108 N 0.17 1.41 -0.98 5.26 2.07 -1.53 -2.33 116.25 120.32 1sy9 h VAL 108 Ca 0.05 -1.32 0.10 0.00 0.82 0.00 0.00 66.70 66.35 1sy9 h VAL 108 Cb 0.00 2.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.98 1sy9 h VAL 108 CO -0.01 0.34 0.61 0.24 0.02 0.00 0.00 177.57 178.77 1sy9 h MET 109 N -0.60 0.99 -0.27 1.57 2.07 -1.52 0.78 114.93 117.95 1sy9 h MET 109 Ca -0.00 -0.06 -0.05 0.00 -2.07 0.00 0.00 59.70 57.52 1sy9 h MET 109 Cb 0.57 -0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 30.07 1sy9 h MET 109 CO 0.00 0.65 -0.02 1.15 1.07 0.00 0.00 176.91 179.77 1sy9 h THR 110 N 1.02 1.26 0.00 2.22 2.02 -1.34 -2.25 112.91 115.84 1sy9 h THR 110 Ca 0.47 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 1sy9 h THR 110 Cb 0.38 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1sy9 h THR 110 CO -0.24 0.31 -0.17 0.78 0.37 0.00 0.00 175.52 176.57 1sy9 h ASN 111 N 0.27 0.00 0.61 4.18 2.35 -0.63 -2.26 115.58 120.10 1sy9 h ASN 111 Ca 0.07 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1sy9 h ASN 111 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1sy9 h ASN 111 CO 0.02 0.17 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.60 1sy9 h LEU 112 N 0.00 0.00 0.00 1.61 3.38 0.10 -3.46 115.31 116.94 1sy9 h LEU 112 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sy9 h LEU 112 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1sy9 h LEU 112 CO 0.02 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1sy9 n GLY 113 N -0.18 1.39 3.06 0.83 0.00 -0.85 -5.00 105.19 104.44 1sy9 n GLY 113 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.77 -0.21 1.61 2.12 -0.89 -5.04 118.70 118.06 1sy9 s GLU 114 Ca 0.00 -0.48 -0.07 0.00 0.36 0.00 0.00 54.97 54.78 1sy9 s GLU 114 Cb 0.00 -1.47 -0.04 0.00 0.26 0.00 0.00 34.13 32.89 1sy9 s GLU 114 CO 0.00 0.09 0.06 0.15 -0.54 0.00 0.00 175.26 175.02 1sy9 s LYS 115 N 0.49 3.83 0.18 4.30 1.02 -1.26 -3.15 119.74 125.14 1sy9 s LYS 115 Ca -0.12 -0.41 0.05 0.00 0.02 0.00 0.00 55.97 55.51 1sy9 s LYS 115 Cb -0.15 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 1sy9 s LYS 115 CO 0.04 0.09 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.95 1sy9 s LEU 116 N 0.87 2.49 0.65 3.17 1.43 -1.26 -5.10 118.68 120.94 1sy9 s LEU 116 Ca 0.03 -1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 51.98 1sy9 s LEU 116 Cb -0.14 -0.43 -0.00 0.00 0.03 0.00 0.00 46.19 45.65 1sy9 s LEU 116 CO 0.02 -0.31 1.03 -0.89 0.23 0.00 0.00 176.35 176.44 1sy9 s THR 117 N -3.24 3.92 0.48 5.49 2.01 -1.26 -4.92 115.64 118.11 1sy9 s THR 117 Ca 0.20 0.50 0.13 0.00 0.31 0.00 0.00 61.69 62.83 1sy9 s THR 117 Cb 0.02 -3.60 0.26 0.00 0.01 0.00 0.00 72.50 69.19 1sy9 s THR 117 CO 0.04 -0.76 2.11 -0.78 -0.69 0.00 0.00 174.62 174.54 1sy9 h ASP 118 N -0.45 0.17 0.08 3.53 1.82 -2.00 -0.31 116.42 119.26 1sy9 h ASP 118 Ca -0.45 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.10 1sy9 h ASP 118 Cb 1.23 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 1sy9 h ASP 118 CO 0.63 0.13 -0.28 -0.33 -1.61 0.00 0.00 179.24 177.78 1sy9 h GLU 119 N 0.20 0.32 -0.32 0.28 5.08 -2.00 -2.07 114.58 116.07 1sy9 h GLU 119 Ca 0.05 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1sy9 h GLU 119 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1sy9 h GLU 119 CO -0.01 0.58 -0.26 0.93 -1.00 0.00 0.00 179.01 179.26 1sy9 h GLU 120 N 0.29 0.63 -0.37 2.33 5.08 -1.42 -2.59 114.58 118.53 1sy9 h GLU 120 Ca 0.04 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 1sy9 h GLU 120 Cb 0.65 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1sy9 h GLU 120 CO 0.05 0.83 -0.42 0.28 -1.00 0.00 0.00 179.01 178.75 1sy9 h VAL 121 N 0.55 1.27 -0.42 3.13 2.07 -1.11 -2.97 116.25 118.76 1sy9 h VAL 121 Ca 0.08 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1sy9 h VAL 121 Cb 0.73 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1sy9 h VAL 121 CO 0.06 0.53 0.28 -0.78 0.02 0.00 0.00 177.57 177.68 1sy9 h ASP 122 N 0.75 0.49 -0.87 0.57 1.82 -1.20 -2.43 116.42 115.55 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 1.02 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 40.86 1sy9 h ASP 122 CO 0.10 0.36 0.58 -0.08 -1.61 0.00 0.00 179.24 178.58 1sy9 h GLU 123 N 0.58 1.14 -0.88 0.28 4.81 -1.46 -1.40 114.58 117.65 1sy9 h GLU 123 Ca 0.16 -0.07 0.13 0.00 -0.13 0.00 0.00 59.36 59.45 1sy9 h GLU 123 Cb -0.07 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 28.99 1sy9 h GLU 123 CO -0.03 0.76 0.57 0.52 -0.73 0.00 0.00 179.01 180.09 1sy9 h MET 124 N 1.18 0.68 -0.44 1.92 2.86 -1.28 0.24 114.93 120.09 1sy9 h MET 124 Ca 0.32 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.82 1sy9 h MET 124 Cb -0.14 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.35 1sy9 h MET 124 CO -0.07 0.45 -0.11 0.82 1.06 0.00 0.00 176.91 179.06 1sy9 h ILE 125 N 0.70 1.26 -1.01 -1.22 2.04 -1.07 -2.99 117.51 115.22 1sy9 h ILE 125 Ca 0.43 -1.19 0.05 0.00 1.00 0.00 0.00 64.86 65.16 1sy9 h ILE 125 Cb 0.67 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1sy9 h ILE 125 CO -0.19 0.41 0.66 -0.09 0.00 0.00 0.00 178.15 178.93 1sy9 h ARG 126 N 0.72 1.20 -0.92 2.37 2.43 -0.13 0.90 114.38 120.96 1sy9 h ARG 126 Ca 0.12 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1sy9 h ARG 126 Cb 0.60 -0.27 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1sy9 h ARG 126 CO 0.04 0.80 0.61 0.93 -1.51 0.00 0.00 179.97 180.84 1sy9 h GLU 127 N 1.24 1.21 0.00 0.20 5.08 -1.32 -2.95 114.58 118.04 1sy9 h GLU 127 Ca 0.41 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1sy9 h GLU 127 Cb 0.07 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1sy9 h GLU 127 CO -0.14 0.80 -1.00 0.00 -1.00 0.00 0.00 179.01 177.67 1sy9 n ALA 128 N -2.39 4.35 -2.58 3.43 0.00 -0.89 -4.71 120.51 117.71 1sy9 n ALA 128 Ca 0.11 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 1sy9 n ALA 128 Cb 0.02 -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 -1.52 5.14 -0.21 0.00 2.03 0.31 -4.74 116.55 117.56 1sy9 n ASP 129 Ca 0.03 -3.06 -0.09 0.00 0.52 0.00 0.00 54.79 52.19 1sy9 n ASP 129 Cb 0.32 -1.52 0.02 0.00 -0.72 0.00 0.00 41.12 39.23 1sy9 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1sy9 h ILE 130 N 4.10 1.27 -0.97 5.18 2.04 -1.84 -2.97 117.51 124.31 1sy9 h ILE 130 Ca 0.37 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 65.06 1sy9 h ILE 130 Cb 0.72 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1sy9 h ILE 130 CO 1.48 0.43 0.64 -2.24 0.00 0.00 0.00 178.15 178.46 1sy9 h ASP 131 N 0.97 1.08 0.00 1.72 2.03 -1.96 -3.46 116.42 116.79 1sy9 h ASP 131 Ca 0.16 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1sy9 h ASP 131 Cb 0.60 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1sy9 h ASP 131 CO 0.04 0.76 0.00 0.61 -1.03 0.00 0.00 179.24 179.61 1sy9 n GLY 132 N -1.38 0.90 0.00 7.15 0.00 -1.12 -4.96 105.19 105.77 1sy9 n GLY 132 Ca 0.12 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1sy9 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sy9 n ASP 133 N 0.19 0.10 0.00 1.61 5.75 -1.26 -4.91 116.55 118.04 1sy9 n ASP 133 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 1sy9 n ASP 133 Cb 0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 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 2.99 6.12 0.00 -1.26 -5.03 105.19 110.30 1sy9 n GLY 134 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.31 1.31 -0.41 1.61 -0.21 -1.26 -4.94 119.66 115.44 1sy9 s GLN 135 Ca 0.00 -0.31 -0.21 0.00 0.02 0.00 0.00 55.36 54.86 1sy9 s GLN 135 Cb 0.00 -1.14 0.02 0.00 1.00 0.00 0.00 33.01 32.88 1sy9 s GLN 135 CO 0.00 0.02 0.67 0.08 -2.12 0.00 0.00 175.29 173.94 1sy9 s VAL 136 N 0.61 4.82 0.00 1.09 1.01 -1.26 -4.90 120.40 121.76 1sy9 s VAL 136 Ca -0.11 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1sy9 s VAL 136 Cb -0.14 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1sy9 s VAL 136 CO 0.02 -0.52 0.00 -0.46 0.00 0.00 0.00 175.10 174.14 1sy9 n ASN 137 N 6.27 0.00 -0.12 3.32 0.23 -1.26 -3.01 115.26 120.68 1sy9 n ASN 137 Ca -0.01 -0.89 -0.13 0.00 -0.53 0.00 0.00 54.58 53.02 1sy9 n ASN 137 Cb 0.48 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.49 1.13 -0.37 -2.53 5.03 -1.97 -2.77 116.97 115.01 1sy9 h TYR 138 Ca 0.00 -0.33 0.00 0.00 2.58 0.00 0.00 58.73 60.98 1sy9 h TYR 138 Cb 0.00 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.02 1sy9 h TYR 138 CO 0.00 1.17 0.24 0.93 -1.32 0.00 0.00 178.16 179.18 1sy9 h GLU 139 N 0.77 0.48 -0.52 1.82 4.39 -1.96 -2.71 114.58 116.86 1sy9 h GLU 139 Ca 0.07 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1sy9 h GLU 139 Cb 0.97 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1sy9 h GLU 139 CO 0.09 0.32 -0.03 0.93 -1.16 0.00 0.00 179.01 179.16 1sy9 h GLU 140 N 0.50 0.90 -0.45 2.33 5.08 -1.86 -2.67 114.58 118.41 1sy9 h GLU 140 Ca 0.13 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1sy9 h GLU 140 Cb -0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1sy9 h GLU 140 CO -0.03 0.91 0.29 0.35 -1.00 0.00 0.00 179.01 179.53 1sy9 h PHE 141 N 0.82 0.54 0.14 4.33 3.04 -1.19 -2.99 116.94 121.63 1sy9 h PHE 141 Ca 0.15 0.01 -0.31 0.00 3.98 0.00 0.00 57.97 61.81 1sy9 h PHE 141 Cb 0.53 -0.18 0.03 0.00 2.56 0.00 0.00 35.95 38.89 1sy9 h PHE 141 CO 0.03 0.34 -1.28 0.28 -2.02 0.00 0.00 178.31 175.66 1sy9 h VAL 142 N 0.59 1.28 0.17 1.41 2.07 -1.46 -3.25 116.25 117.06 1sy9 h VAL 142 Ca 0.17 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 1sy9 h VAL 142 Cb -0.05 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1sy9 h VAL 142 CO -0.05 0.76 -0.08 -0.61 0.02 0.00 0.00 177.57 177.61 1sy9 h GLN 143 N 0.26 -0.22 -0.59 1.57 4.15 -1.48 -0.11 115.11 118.69 1sy9 h GLN 143 Ca -0.20 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 1sy9 h GLN 143 Cb 1.95 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 29.66 1sy9 h GLN 143 CO 0.24 -0.15 0.36 1.98 -1.93 0.00 0.00 178.83 179.34 1sy9 h MET 144 N -0.23 0.79 -0.38 1.69 4.05 -1.68 0.20 114.93 119.37 1sy9 h MET 144 Ca -0.02 -0.06 -0.16 0.00 -0.28 0.00 0.00 59.70 59.17 1sy9 h MET 144 Cb 0.18 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1sy9 h MET 144 CO 0.04 0.55 -0.40 0.52 0.23 0.00 0.00 176.91 177.85 1sy9 h MET 145 N 0.81 0.94 -0.64 0.39 2.86 -1.51 -3.09 114.93 114.68 1sy9 h MET 145 Ca 0.21 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1sy9 h MET 145 Cb -0.04 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1sy9 h MET 145 CO -0.04 1.16 0.00 2.41 1.06 0.00 0.00 176.91 181.50 1sy9 n THR 146 N -4.05 1.79 -0.28 2.22 -1.04 -0.08 -4.47 114.28 108.36 1sy9 n THR 146 Ca -0.02 -1.08 -0.04 0.00 -2.04 0.00 0.00 64.05 60.86 1sy9 n THR 146 Cb 0.56 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.14 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sy9 h ALA 147 N 3.95 0.98 0.00 2.41 0.00 -0.54 -3.49 119.26 122.58 1sy9 h ALA 147 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sy9 h ALA 147 Cb 1.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1sy9 h ALA 147 CO 0.25 0.40 0.00 1.63 0.00 0.00 0.00 179.25 181.54