#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 5.14 -0.28 0.00 8.00 -1.26 -4.78 116.55 123.37 1sy9 n ASP 2 Ca 0.00 -2.96 -0.06 0.00 0.71 0.00 0.00 54.79 52.48 1sy9 n ASP 2 Cb 0.00 -1.62 0.06 0.00 -0.02 0.00 0.00 41.12 39.54 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 7.24 1.18 0.00 -1.24 4.20 -2.13 -3.44 115.11 120.92 1sy9 h GLN 3 Ca 0.36 -0.23 -0.42 0.00 0.06 0.00 0.00 58.65 58.41 1sy9 h GLN 3 Cb 0.87 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 1sy9 h GLN 3 CO 1.31 0.98 -0.23 1.28 -0.67 0.00 0.00 178.83 181.50 1sy9 n LEU 4 N -4.27 0.00 -4.09 1.46 4.77 -1.26 -5.10 117.00 108.51 1sy9 n LEU 4 Ca 0.07 -2.09 -0.34 0.00 -0.03 0.00 0.00 56.01 53.62 1sy9 n LEU 4 Cb 0.21 0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 1sy9 n LEU 4 CO 0.41 -0.44 -0.24 0.42 -1.33 0.00 0.00 177.39 176.21 1sy9 s THR 5 N -2.03 2.91 -0.94 -5.08 -4.23 -1.26 -4.94 115.64 100.07 1sy9 s THR 5 Ca 0.16 -2.10 0.21 0.00 -1.18 0.00 0.00 61.69 58.79 1sy9 s THR 5 Cb -0.01 -3.01 0.19 0.00 1.34 0.00 0.00 72.50 71.00 1sy9 s THR 5 CO 0.10 -0.61 1.68 -0.62 -0.54 0.00 0.00 174.62 174.64 1sy9 n GLU 6 N 4.48 0.03 0.18 3.99 1.02 -1.26 -3.63 120.64 125.45 1sy9 n GLU 6 Ca -0.01 0.17 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 1sy9 n GLU 6 Cb 0.42 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.39 -0.49 3.49 5.08 -2.01 -1.86 114.58 118.40 1sy9 h GLU 7 Ca 0.00 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1sy9 h GLU 7 Cb 0.39 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1sy9 h GLU 7 CO 0.00 -0.24 -0.11 1.96 -1.00 0.00 0.00 179.01 179.62 1sy9 h GLN 8 N -0.43 0.91 0.00 2.33 4.20 -2.02 -2.95 115.11 117.15 1sy9 h GLN 8 Ca -0.04 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1sy9 h GLN 8 Cb 0.33 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1sy9 h GLN 8 CO 0.07 0.97 -0.04 0.82 -0.67 0.00 0.00 178.83 179.98 1sy9 h ILE 9 N 0.81 0.93 -0.73 2.54 2.04 -1.58 -2.10 117.51 119.41 1sy9 h ILE 9 Ca 0.13 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1sy9 h ILE 9 Cb 0.64 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1sy9 h ILE 9 CO 0.04 0.03 0.41 0.00 0.00 0.00 0.00 178.15 178.64 1sy9 h ALA 10 N 1.96 1.34 -0.24 1.87 0.00 -1.15 -1.73 119.26 121.30 1sy9 h ALA 10 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sy9 h ALA 10 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1sy9 h ALA 10 CO 0.00 0.55 0.16 0.93 0.00 0.00 0.00 179.25 180.89 1sy9 h GLU 11 N 1.02 0.31 0.00 0.00 5.08 -1.50 -2.02 114.58 117.47 1sy9 h GLU 11 Ca 0.26 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1sy9 h GLU 11 Cb 0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1sy9 h GLU 11 CO -0.04 0.21 -0.20 0.74 -1.00 0.00 0.00 179.01 178.72 1sy9 h PHE 12 N 0.32 0.00 0.22 4.33 0.04 -1.51 -2.98 116.94 117.37 1sy9 h PHE 12 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1sy9 h PHE 12 Cb -0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1sy9 h PHE 12 CO -0.06 0.20 -0.11 -0.22 -0.60 0.00 0.00 178.31 177.52 1sy9 h LYS 13 N 0.00 -0.29 -0.34 1.51 1.63 -0.62 -1.52 116.57 116.95 1sy9 h LYS 13 Ca -0.00 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1sy9 h LYS 13 Cb 0.53 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.18 1sy9 h LYS 13 CO 0.03 0.05 0.09 0.93 -3.45 0.00 0.00 179.45 177.10 1sy9 h GLU 14 N -0.67 0.21 0.00 1.90 5.08 -1.34 -1.48 114.58 118.29 1sy9 h GLU 14 Ca -0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1sy9 h GLU 14 Cb 0.47 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1sy9 h GLU 14 CO 0.05 0.14 -0.02 0.00 -1.00 0.00 0.00 179.01 178.18 1sy9 h ALA 15 N 1.24 1.01 -0.18 3.43 0.00 -1.56 -3.23 119.26 119.97 1sy9 h ALA 15 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1sy9 h ALA 15 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sy9 h ALA 15 CO -0.19 0.02 0.12 0.35 0.00 0.00 0.00 179.25 179.55 1sy9 h PHE 16 N 0.00 0.23 -0.71 0.00 3.57 -0.17 0.53 116.94 120.39 1sy9 h PHE 16 Ca -0.00 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1sy9 h PHE 16 Cb 0.51 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1sy9 h PHE 16 CO 0.00 0.14 0.22 0.77 -2.23 0.00 0.00 178.31 177.21 1sy9 h SER 17 N 0.24 1.02 -0.76 0.41 0.02 -1.60 0.12 113.55 113.01 1sy9 h SER 17 Ca 0.07 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 1sy9 h SER 17 Cb -0.03 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 1sy9 h SER 17 CO -0.01 0.95 0.26 0.25 -1.14 0.00 0.00 176.83 177.13 1sy9 h LEU 18 N 1.05 1.10 -0.73 5.07 5.85 -1.48 -2.23 115.31 123.93 1sy9 h LEU 18 Ca 0.23 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 1sy9 h LEU 18 Cb 0.30 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1sy9 h LEU 18 CO -0.01 1.00 -0.47 -0.26 -0.34 0.00 0.00 178.44 178.37 1sy9 h PHE 19 N 1.13 0.48 -2.78 1.25 0.04 0.62 -3.37 116.94 114.31 1sy9 h PHE 19 Ca 0.25 -0.15 -0.70 0.00 2.80 0.00 0.00 57.97 60.18 1sy9 h PHE 19 Cb 0.29 -0.10 -0.19 0.00 2.20 0.00 0.00 35.95 38.15 1sy9 h PHE 19 CO 0.02 0.79 0.48 0.34 -0.60 0.00 0.00 178.31 179.34 1sy9 s ASP 20 N -6.88 6.44 0.34 2.17 -1.08 0.38 -4.88 116.67 113.17 1sy9 s ASP 20 Ca -0.06 -1.77 0.02 0.00 -0.52 0.00 0.00 52.55 50.22 1sy9 s ASP 20 Cb 0.12 -2.35 0.61 0.00 -1.46 0.00 0.00 42.92 39.84 1sy9 s ASP 20 CO 0.80 -1.08 2.00 0.11 0.52 0.00 0.00 175.17 177.52 1sy9 h LYS 21 N 8.93 0.87 0.00 4.34 1.57 -1.74 -2.23 116.57 128.32 1sy9 h LYS 21 Ca -0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1sy9 h LYS 21 Cb 1.05 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1sy9 h LYS 21 CO 1.07 0.58 0.00 -0.25 -0.57 0.00 0.00 179.45 180.28 1sy9 n ASP 22 N -4.44 0.00 -1.80 0.86 8.00 -1.26 -4.88 116.55 113.03 1sy9 n ASP 22 Ca 0.07 0.47 -0.21 0.00 0.71 0.00 0.00 54.79 55.83 1sy9 n ASP 22 Cb 0.04 -0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.59 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 1.36 1.40 0.04 0.44 0.00 -0.84 -4.82 105.19 102.78 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 -1.54 0.35 0.00 1.61 5.75 -1.26 -4.92 116.55 116.54 1sy9 n ASP 24 Ca -0.22 -0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.47 1sy9 n ASP 24 Cb 0.69 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 1.44 0.83 3.17 6.12 0.00 -1.26 -5.08 105.19 110.42 1sy9 n GLY 25 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 0.02 -0.24 2.61 -4.23 -1.26 -4.42 115.64 106.11 1sy9 s THR 26 Ca 0.00 -0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 60.24 1sy9 s THR 26 Cb 0.00 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.35 1sy9 s THR 26 CO 0.00 -0.09 0.16 -0.63 -0.54 0.00 0.00 174.62 173.51 1sy9 s ILE 27 N -0.31 5.29 -0.10 2.99 1.01 -1.21 -4.86 121.20 124.01 1sy9 s ILE 27 Ca -0.04 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 1sy9 s ILE 27 Cb -0.03 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1sy9 s ILE 27 CO 0.01 0.34 0.12 0.42 0.00 0.00 0.00 174.94 175.83 1sy9 s THR 28 N 1.15 5.34 0.50 2.92 -4.23 -1.26 -3.71 115.64 116.35 1sy9 s THR 28 Ca 0.07 0.11 0.40 0.00 -1.18 0.00 0.00 61.69 61.09 1sy9 s THR 28 Cb -0.14 -3.33 0.60 0.00 1.34 0.00 0.00 72.50 70.98 1sy9 s THR 28 CO 0.05 0.59 1.63 0.71 -0.54 0.00 0.00 174.62 177.06 1sy9 h THR 29 N 3.90 0.11 -0.06 3.99 1.35 -1.92 0.42 112.91 120.70 1sy9 h THR 29 Ca -0.54 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 1sy9 h THR 29 Cb 1.22 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1sy9 h THR 29 CO 0.58 0.01 0.01 0.11 -0.25 0.00 0.00 175.52 175.98 1sy9 h LYS 30 N 0.04 0.10 0.37 4.72 1.57 -1.99 -1.93 116.57 119.44 1sy9 h LYS 30 Ca 0.84 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.57 1sy9 h LYS 30 Cb 3.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 35.34 1sy9 h LYS 30 CO -0.19 0.34 -0.18 0.93 -0.57 0.00 0.00 179.45 179.77 1sy9 h GLU 31 N -0.15 -0.48 -0.45 3.15 5.08 -0.55 -2.88 114.58 118.30 1sy9 h GLU 31 Ca 0.02 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1sy9 h GLU 31 Cb 0.28 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1sy9 h GLU 31 CO 0.00 -0.32 0.21 1.25 -1.00 0.00 0.00 179.01 179.15 1sy9 h LEU 32 N -0.50 0.56 -1.79 1.33 5.85 -1.54 -2.10 115.31 117.12 1sy9 h LEU 32 Ca -0.05 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.72 1sy9 h LEU 32 Cb 0.39 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1sy9 h LEU 32 CO 0.08 0.48 0.34 1.23 -0.34 0.00 0.00 178.44 180.23 1sy9 h GLY 33 N 0.74 0.34 1.08 3.75 0.00 -1.13 -1.95 103.07 105.91 1sy9 h GLY 33 Ca 0.16 -0.10 -0.24 0.00 0.00 0.00 0.00 47.33 47.15 1sy9 h GLY 33 CO -0.02 0.06 -0.92 -0.84 0.00 0.00 0.00 176.54 174.82 1sy9 h THR 34 N 0.24 1.32 0.81 4.70 2.02 -1.31 -2.76 112.91 117.93 1sy9 h THR 34 Ca 0.23 -2.20 -0.04 0.00 0.77 0.00 0.00 66.41 65.17 1sy9 h THR 34 Cb 0.58 2.45 0.01 0.00 -1.74 0.00 0.00 68.15 69.45 1sy9 h THR 34 CO -0.04 0.67 -0.39 0.58 0.37 0.00 0.00 175.52 176.71 1sy9 h VAL 35 N 0.25 0.09 -0.02 3.16 2.07 -1.33 -2.47 116.25 118.01 1sy9 h VAL 35 Ca -0.12 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1sy9 h VAL 35 Cb 1.59 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1sy9 h VAL 35 CO 0.18 0.01 0.12 0.00 0.02 0.00 0.00 177.57 177.90 1sy9 h MET 36 N -1.22 0.00 -1.01 1.57 -0.00 -1.55 -1.08 114.93 111.63 1sy9 h MET 36 Ca -0.11 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.60 1sy9 h MET 36 Cb 0.84 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.39 1sy9 h MET 36 CO 0.18 0.00 0.67 -0.09 -0.00 0.00 0.00 176.91 177.67 1sy9 h ARG 37 N 0.00 1.32 0.00 -0.10 2.43 -1.13 -1.53 114.38 115.37 1sy9 h ARG 37 Ca 0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1sy9 h ARG 37 Cb 0.24 -0.30 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1sy9 h ARG 37 CO -0.00 0.88 0.00 1.03 -1.51 0.00 0.00 179.97 180.37 1sy9 h SER 38 N 1.36 0.00 0.32 -3.80 0.87 -1.19 -2.62 113.55 108.49 1sy9 h SER 38 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1sy9 h SER 38 Cb -0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1sy9 h SER 38 CO -0.08 0.00 -0.68 0.18 -0.53 0.00 0.00 176.83 175.71 1sy9 n LEU 39 N -2.51 0.68 0.00 2.23 4.32 -0.59 -4.93 117.00 116.19 1sy9 n LEU 39 Ca 0.02 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1sy9 n LEU 39 Cb 0.25 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1sy9 n LEU 39 CO 0.22 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 1sy9 n GLY 40 N 1.50 -1.05 3.78 -0.72 0.00 -0.99 -5.02 105.19 102.69 1sy9 n GLY 40 Ca 0.05 0.45 -0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 1.21 -0.05 1.61 -2.07 -1.19 -4.94 119.66 114.24 1sy9 s GLN 41 Ca 0.00 -0.71 0.06 0.00 -1.82 0.00 0.00 55.36 52.90 1sy9 s GLN 41 Cb 0.00 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1sy9 s GLN 41 CO 0.00 -0.56 -0.24 0.54 -1.32 0.00 0.00 175.29 173.71 1sy9 s ASN 42 N -3.07 3.15 0.00 12.60 4.22 -1.26 -3.33 114.94 127.25 1sy9 s ASN 42 Ca 0.15 -0.47 0.00 0.00 -2.14 0.00 0.00 52.86 50.40 1sy9 s ASN 42 Cb -0.01 -0.69 0.00 0.00 1.28 0.00 0.00 41.25 41.83 1sy9 s ASN 42 CO 0.03 0.28 0.00 -0.81 -2.04 0.00 0.00 177.10 174.56 1sy9 n PRO 43 N 2.74 2.58 -4.15 3.55 -0.04 -1.26 -5.04 135.00 133.38 1sy9 n PRO 43 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 1sy9 n PRO 43 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 1sy9 n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1sy9 s THR 44 N 0.00 0.53 0.60 0.52 2.01 -1.26 -4.98 115.64 113.06 1sy9 s THR 44 Ca 0.00 -1.90 0.29 0.00 0.31 0.00 0.00 61.69 60.38 1sy9 s THR 44 Cb 0.00 -1.69 0.37 0.00 0.01 0.00 0.00 72.50 71.19 1sy9 s THR 44 CO 0.00 -0.86 1.89 -0.33 -0.69 0.00 0.00 174.62 174.64 1sy9 h GLU 45 N 2.99 0.00 0.50 4.92 4.39 -1.96 0.83 114.58 126.25 1sy9 h GLU 45 Ca -0.35 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 1sy9 h GLU 45 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1sy9 h GLU 45 CO 0.65 0.00 -0.24 0.00 -1.16 0.00 0.00 179.01 178.26 1sy9 h ALA 46 N 1.44 -0.67 -0.44 3.43 0.00 -2.00 -2.28 119.26 118.74 1sy9 h ALA 46 Ca 0.19 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1sy9 h ALA 46 Cb 1.13 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1sy9 h ALA 46 CO -0.00 -0.62 -0.13 1.49 0.00 0.00 0.00 179.25 179.98 1sy9 h GLU 47 N -1.18 0.81 -0.63 0.00 4.81 -1.76 -2.55 114.58 114.08 1sy9 h GLU 47 Ca -0.07 -0.28 0.06 0.00 -0.13 0.00 0.00 59.36 58.94 1sy9 h GLU 47 Cb 0.51 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1sy9 h GLU 47 CO 0.11 0.90 0.42 -0.07 -0.73 0.00 0.00 179.01 179.64 1sy9 h LEU 48 N 0.72 0.54 -0.84 1.64 3.38 0.59 -1.80 115.31 119.55 1sy9 h LEU 48 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1sy9 h LEU 48 Cb 0.63 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1sy9 h LEU 48 CO 0.04 0.36 0.40 -0.61 0.09 0.00 0.00 178.44 178.71 1sy9 h GLN 49 N 0.62 1.22 -0.66 1.13 4.15 -0.96 -2.83 115.11 117.78 1sy9 h GLN 49 Ca 0.27 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 1sy9 h GLN 49 Cb 0.27 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1sy9 h GLN 49 CO -0.08 0.94 0.07 0.22 -1.93 0.00 0.00 178.83 178.05 1sy9 h ASP 50 N 1.20 1.07 -0.69 -0.69 1.82 -1.34 -1.99 116.42 115.80 1sy9 h ASP 50 Ca 0.29 -0.27 0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1sy9 h ASP 50 Cb 0.13 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.82 1sy9 h ASP 50 CO -0.03 1.08 0.45 0.24 -1.61 0.00 0.00 179.24 179.36 1sy9 h MET 51 N 1.03 0.90 -0.47 0.28 2.86 -1.34 -2.21 114.93 115.98 1sy9 h MET 51 Ca 0.20 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.69 1sy9 h MET 51 Cb 0.48 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1sy9 h MET 51 CO 0.02 0.60 -0.07 0.82 1.06 0.00 0.00 176.91 179.33 1sy9 h ILE 52 N 0.93 1.26 -0.93 -1.22 1.08 -1.34 -3.10 117.51 114.19 1sy9 h ILE 52 Ca 0.25 -1.14 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1sy9 h ILE 52 Cb -0.11 0.97 -0.05 0.00 -3.07 0.00 0.00 36.82 34.57 1sy9 h ILE 52 CO -0.05 0.40 0.62 -1.13 -0.69 0.00 0.00 178.15 177.29 1sy9 h ASN 53 N 0.76 1.07 0.45 1.72 -0.73 -0.74 0.58 115.58 118.69 1sy9 h ASN 53 Ca 0.13 -0.03 -0.06 0.00 1.87 0.00 0.00 56.30 58.21 1sy9 h ASN 53 Cb 0.56 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 1sy9 h ASN 53 CO 0.03 0.77 -0.30 -0.08 -0.37 0.00 0.00 177.43 177.49 1sy9 h GLU 54 N 1.26 0.00 0.00 6.67 4.81 -1.42 -2.94 114.58 122.95 1sy9 h GLU 54 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1sy9 h GLU 54 Cb -0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1sy9 h GLU 54 CO -0.07 0.30 -1.01 0.28 -0.73 0.00 0.00 179.01 177.78 1sy9 n VAL 55 N -3.89 0.00 -2.11 0.32 0.31 -0.74 -4.86 118.33 107.36 1sy9 n VAL 55 Ca -0.02 -0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.97 1sy9 n VAL 55 Cb 0.37 0.99 -0.04 0.00 -0.91 0.00 0.00 33.84 34.25 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 -3.01 5.35 0.23 4.52 1.01 0.20 -4.80 116.67 120.16 1sy9 s ASP 56 Ca 0.08 -0.26 -0.06 0.00 0.71 0.00 0.00 52.55 53.02 1sy9 s ASP 56 Cb 0.16 -2.55 0.21 0.00 1.01 0.00 0.00 42.92 41.75 1sy9 s ASP 56 CO 0.87 -2.45 1.76 0.00 0.21 0.00 0.00 175.17 175.56 1sy9 h ALA 57 N 12.74 1.04 0.00 5.23 0.00 -1.88 -3.14 119.26 133.25 1sy9 h ALA 57 Ca -0.08 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 1sy9 h ALA 57 Cb 1.08 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1sy9 h ALA 57 CO 1.23 0.64 -1.83 -0.40 0.00 0.00 0.00 179.25 178.89 1sy9 n ASP 58 N -4.25 0.66 0.00 0.00 5.75 -1.26 -4.99 116.55 112.46 1sy9 n ASP 58 Ca 0.05 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 1sy9 n ASP 58 Cb 0.24 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 1.57 0.80 0.14 6.12 0.00 -1.19 -4.97 105.19 107.66 1sy9 n GLY 59 Ca -0.19 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 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 0.26 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.97 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 0.02 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.19 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 0.68 1.23 3.28 9.14 0.00 -1.26 -5.12 105.19 113.13 1sy9 n GLY 61 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1sy9 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sy9 s THR 62 N -2.00 0.35 -0.25 2.61 -4.23 -1.26 -4.88 115.64 105.98 1sy9 s THR 62 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 1sy9 s THR 62 Cb 0.00 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1sy9 s THR 62 CO 0.00 0.00 0.09 -0.63 -0.54 0.00 0.00 174.62 173.54 1sy9 s ILE 63 N -3.89 4.49 0.34 2.99 1.01 -1.24 -4.73 121.20 120.16 1sy9 s ILE 63 Ca 0.38 -0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.99 1sy9 s ILE 63 Cb 0.07 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 1sy9 s ILE 63 CO 0.13 0.33 0.47 -1.81 0.00 0.00 0.00 174.94 174.07 1sy9 s ASP 64 N 1.57 5.96 0.21 3.58 1.01 -1.26 -3.30 116.67 124.43 1sy9 s ASP 64 Ca 0.06 -0.20 -0.13 0.00 0.71 0.00 0.00 52.55 53.00 1sy9 s ASP 64 Cb -0.15 -1.21 0.24 0.00 1.01 0.00 0.00 42.92 42.81 1sy9 s ASP 64 CO 0.05 -0.44 1.65 0.15 0.21 0.00 0.00 175.17 176.78 1sy9 h PHE 65 N 0.89 -0.20 -0.41 4.23 3.57 -1.99 -0.02 116.94 123.00 1sy9 h PHE 65 Ca -0.46 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.04 1sy9 h PHE 65 Cb 1.26 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 1sy9 h PHE 65 CO 0.42 -0.22 0.02 -1.00 -2.23 0.00 0.00 178.31 175.31 1sy9 h PRO 66 N 0.04 0.65 -0.38 6.41 0.13 -1.98 -2.54 132.00 134.33 1sy9 h PRO 66 Ca 0.30 -0.14 -0.16 0.00 -0.87 0.00 0.00 66.00 65.12 1sy9 h PRO 66 Cb 0.47 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1sy9 h PRO 66 CO -0.57 0.65 -0.40 0.93 -0.23 0.00 0.00 178.00 178.37 1sy9 h GLU 67 N 0.62 0.94 -0.63 0.86 5.08 -1.52 -2.99 114.58 116.93 1sy9 h GLU 67 Ca 0.13 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1sy9 h GLU 67 Cb 0.35 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1sy9 h GLU 67 CO 0.01 1.16 0.32 0.35 -1.00 0.00 0.00 179.01 179.86 1sy9 h PHE 68 N 0.76 0.89 -0.50 4.33 3.04 -0.79 -2.63 116.94 122.03 1sy9 h PHE 68 Ca 0.06 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.92 1sy9 h PHE 68 Cb 1.00 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 1sy9 h PHE 68 CO 0.06 0.65 0.12 -0.07 -2.02 0.00 0.00 178.31 177.06 1sy9 h LEU 69 N 0.86 0.77 -0.88 0.59 -0.00 -1.46 -2.77 115.31 112.41 1sy9 h LEU 69 Ca 0.22 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1sy9 h LEU 69 Cb 0.08 -0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 40.50 1sy9 h LEU 69 CO -0.03 0.80 0.46 0.74 -0.00 0.00 0.00 178.44 180.41 1sy9 h THR 70 N 0.69 1.26 -0.43 0.22 2.02 -1.39 -3.00 112.91 112.27 1sy9 h THR 70 Ca 0.16 -0.69 -0.12 0.00 0.77 0.00 0.00 66.41 66.53 1sy9 h THR 70 Cb 0.34 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1sy9 h THR 70 CO 0.00 0.30 -0.21 -0.03 0.37 0.00 0.00 175.52 175.96 1sy9 h MET 71 N 1.25 0.91 -0.41 6.66 1.85 -1.34 -3.02 114.93 120.82 1sy9 h MET 71 Ca 0.31 -0.40 -0.01 0.00 -0.61 0.00 0.00 59.70 58.99 1sy9 h MET 71 Cb 0.07 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 1sy9 h MET 71 CO -0.04 1.05 0.23 0.52 -0.40 0.00 0.00 176.91 178.26 1sy9 h MET 72 N 0.74 0.57 -0.20 0.39 2.07 -1.39 -2.23 114.93 114.88 1sy9 h MET 72 Ca 0.10 -0.07 -0.03 0.00 -2.07 0.00 0.00 59.70 57.63 1sy9 h MET 72 Cb 0.78 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.38 1sy9 h MET 72 CO 0.06 0.46 -0.01 0.00 1.07 0.00 0.00 176.91 178.49 1sy9 h ALA 73 N 1.08 1.61 -0.24 6.32 0.00 -1.55 -2.64 119.26 123.84 1sy9 h ALA 73 Ca 0.15 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1sy9 h ALA 73 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sy9 h ALA 73 CO -0.02 0.29 -0.63 -0.09 0.00 0.00 0.00 179.25 178.80 1sy9 h ARG 74 N 0.29 0.86 -0.85 0.00 9.65 -1.33 -3.27 114.38 119.74 1sy9 h ARG 74 Ca 0.07 -0.60 -0.03 0.00 -1.10 0.00 0.00 59.98 58.32 1sy9 h ARG 74 Cb 0.22 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 1sy9 h ARG 74 CO 0.01 1.22 0.40 0.87 2.80 0.00 0.00 179.97 185.27 1sy9 h LYS 75 N 0.63 1.23 -0.47 0.20 1.57 -1.05 -2.78 116.57 115.90 1sy9 h LYS 75 Ca -0.01 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1sy9 h LYS 75 Cb 1.25 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1sy9 h LYS 75 CO 0.14 0.95 0.32 0.52 -0.57 0.00 0.00 179.45 180.80 1sy9 h MET 76 N 1.21 0.38 0.36 3.15 2.86 -1.56 0.54 114.93 121.87 1sy9 h MET 76 Ca 0.29 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1sy9 h MET 76 Cb 0.13 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1sy9 h MET 76 CO -0.03 0.25 -0.17 0.87 1.06 0.00 0.00 176.91 178.89 1sy9 h LYS 77 N 0.39 -0.46 -0.25 1.72 1.79 -1.60 -3.30 116.57 114.87 1sy9 h LYS 77 Ca 0.21 0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.58 1sy9 h LYS 77 Cb 0.31 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1sy9 h LYS 77 CO -0.05 -0.15 -0.38 0.22 -1.08 0.00 0.00 179.45 178.01 1sy9 h ASP 78 N -0.96 0.60 -3.60 0.86 1.82 -1.47 -3.44 116.42 110.23 1sy9 h ASP 78 Ca -0.05 -0.26 -0.21 0.00 -0.39 0.00 0.00 57.03 56.12 1sy9 h ASP 78 Cb 0.52 -0.17 0.06 0.00 0.68 0.00 0.00 39.33 40.43 1sy9 h ASP 78 CO 0.08 0.92 0.13 0.41 -1.61 0.00 0.00 179.24 179.17 1sy9 n THR 79 N -4.04 0.00 -4.10 2.25 -1.04 0.19 -5.11 114.28 102.42 1sy9 n THR 79 Ca -0.01 -0.61 -0.15 0.00 -2.04 0.00 0.00 64.05 61.24 1sy9 n THR 79 Cb 0.50 -1.46 -0.12 0.00 -1.82 0.00 0.00 70.33 67.43 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 -3.15 1.16 0.32 8.00 1.01 -1.26 -4.81 116.67 117.94 1sy9 s ASP 80 Ca 0.34 -0.57 0.05 0.00 0.71 0.00 0.00 52.55 53.08 1sy9 s ASP 80 Cb -0.01 0.00 0.56 0.00 1.01 0.00 0.00 42.92 44.47 1sy9 s ASP 80 CO 0.23 -0.15 1.81 -1.28 0.21 0.00 0.00 175.17 175.99 1sy9 h SER 81 N 4.43 0.40 -0.18 0.27 0.87 -1.98 -2.03 113.55 115.32 1sy9 h SER 81 Ca -0.38 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.03 1sy9 h SER 81 Cb 1.20 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 1sy9 h SER 81 CO 0.40 0.59 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.95 1sy9 h GLU 82 N 0.38 0.46 -0.40 2.24 5.08 -2.00 -2.47 114.58 117.87 1sy9 h GLU 82 Ca 0.07 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1sy9 h GLU 82 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1sy9 h GLU 82 CO 0.03 0.50 -0.36 0.93 -1.00 0.00 0.00 179.01 179.11 1sy9 h GLU 83 N 0.44 0.96 -0.49 2.33 5.08 -1.79 -2.82 114.58 118.29 1sy9 h GLU 83 Ca 0.10 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1sy9 h GLU 83 Cb 0.31 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1sy9 h GLU 83 CO 0.01 1.15 0.09 0.93 -1.00 0.00 0.00 179.01 180.19 1sy9 h GLU 84 N 0.79 0.75 -0.00 2.33 5.08 -1.15 -2.90 114.58 119.47 1sy9 h GLU 84 Ca 0.07 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1sy9 h GLU 84 Cb 0.96 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1sy9 h GLU 84 CO 0.09 0.70 0.00 0.82 -1.00 0.00 0.00 179.01 179.62 1sy9 h ILE 85 N 0.72 1.18 -1.00 3.13 2.04 -1.32 -2.19 117.51 120.07 1sy9 h ILE 85 Ca 0.16 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.56 1sy9 h ILE 85 Cb 0.31 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 1sy9 h ILE 85 CO 0.00 0.14 0.65 0.03 0.00 0.00 0.00 178.15 178.97 1sy9 h ARG 86 N -0.22 1.13 -0.37 2.37 3.08 -1.38 -2.36 114.38 116.63 1sy9 h ARG 86 Ca 0.00 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 59.82 1sy9 h ARG 86 Cb 0.22 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1sy9 h ARG 86 CO 0.00 0.75 -0.41 0.93 -1.07 0.00 0.00 179.97 180.17 1sy9 h GLU 87 N 1.17 0.94 -0.05 0.04 5.08 -1.44 -2.95 114.58 117.36 1sy9 h GLU 87 Ca 0.44 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1sy9 h GLU 87 Cb 0.19 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1sy9 h GLU 87 CO -0.18 1.16 0.01 0.00 -1.00 0.00 0.00 179.01 179.00 1sy9 h ALA 88 N 0.76 0.07 -0.95 3.43 0.00 -0.94 -2.49 119.26 119.14 1sy9 h ALA 88 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sy9 h ALA 88 Cb 1.01 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1sy9 h ALA 88 CO 0.10 -0.28 0.60 0.35 0.00 0.00 0.00 179.25 180.02 1sy9 h PHE 89 N -0.18 1.21 -0.76 0.00 3.04 -1.53 -2.10 116.94 116.62 1sy9 h PHE 89 Ca 0.01 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.99 1sy9 h PHE 89 Cb 0.29 -0.41 -0.04 0.00 2.56 0.00 0.00 35.95 38.36 1sy9 h PHE 89 CO 0.02 0.78 0.51 -0.09 -2.02 0.00 0.00 178.31 177.51 1sy9 h ARG 90 N 1.29 1.01 0.18 1.11 2.43 -1.43 -0.28 114.38 118.69 1sy9 h ARG 90 Ca 0.34 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1sy9 h ARG 90 Cb -0.11 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.21 1sy9 h ARG 90 CO -0.07 0.67 -0.09 0.28 -1.51 0.00 0.00 179.97 179.25 1sy9 h VAL 91 N 1.04 0.92 -0.77 0.20 2.07 -0.92 -3.28 116.25 115.50 1sy9 h VAL 91 Ca 0.28 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1sy9 h VAL 91 Cb -0.12 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1sy9 h VAL 91 CO -0.06 0.20 0.29 -0.26 0.02 0.00 0.00 177.57 177.75 1sy9 h PHE 92 N -0.73 1.19 -0.31 1.57 0.04 -1.40 -3.28 116.94 114.02 1sy9 h PHE 92 Ca -0.02 -0.10 -0.71 0.00 2.80 0.00 0.00 57.97 59.94 1sy9 h PHE 92 Cb 0.50 -0.35 -0.06 0.00 2.20 0.00 0.00 35.95 38.24 1sy9 h PHE 92 CO 0.06 0.91 2.84 -3.47 -0.60 0.00 0.00 178.31 178.06 1sy9 n ASP 93 N -4.27 4.19 -0.27 2.17 2.03 -0.12 -4.73 116.55 115.55 1sy9 n ASP 93 Ca 0.07 -2.88 -0.05 0.00 0.52 0.00 0.00 54.79 52.44 1sy9 n ASP 93 Cb 0.20 -1.66 0.06 0.00 -0.72 0.00 0.00 41.12 39.00 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 6.29 1.04 0.00 -0.67 1.57 -1.73 -2.03 116.57 121.03 1sy9 h LYS 94 Ca 0.53 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1sy9 h LYS 94 Cb 0.69 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1sy9 h LYS 94 CO 1.78 0.79 -0.15 0.38 -0.57 0.00 0.00 179.45 181.68 1sy9 h ASP 95 N 1.03 0.00 -1.29 0.86 2.03 -1.93 -3.47 116.42 113.65 1sy9 h ASP 95 Ca 0.26 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.29 1sy9 h ASP 95 Cb 0.06 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.50 1sy9 h ASP 95 CO -0.04 0.15 -0.30 0.61 -1.03 0.00 0.00 179.24 178.63 1sy9 n GLY 96 N 0.36 0.60 0.07 7.15 0.00 -0.76 -4.87 105.19 107.73 1sy9 n GLY 96 Ca 0.01 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.37 0.37 0.00 1.61 6.94 -1.26 -4.87 115.26 117.67 1sy9 n ASN 97 Ca -0.15 0.58 0.00 0.00 -0.02 0.00 0.00 54.58 55.00 1sy9 n ASN 97 Cb 0.53 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 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 0.17 2.38 3.21 4.83 0.00 -1.26 -5.04 105.19 109.48 1sy9 n GLY 98 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.61 2.03 -0.25 1.61 1.51 -1.26 -4.49 117.35 113.88 1sy9 s TYR 99 Ca 0.00 -0.55 -0.20 0.00 -1.01 0.00 0.00 57.07 55.31 1sy9 s TYR 99 Cb 0.00 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1sy9 s TYR 99 CO 0.00 -0.16 0.62 0.42 -1.11 0.00 0.00 175.55 175.33 1sy9 s ILE 100 N -0.16 4.99 0.62 2.71 1.01 -1.19 -4.96 121.20 124.22 1sy9 s ILE 100 Ca -0.01 1.12 -0.02 0.00 0.00 0.00 0.00 60.65 61.74 1sy9 s ILE 100 Cb -0.12 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.48 1sy9 s ILE 100 CO 0.02 0.03 0.89 -0.44 0.00 0.00 0.00 174.94 175.44 1sy9 s SER 101 N 1.47 5.02 0.20 3.58 0.01 -1.26 -4.14 113.70 118.58 1sy9 s SER 101 Ca 0.26 0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.64 1sy9 s SER 101 Cb -0.15 -0.90 0.15 0.00 0.21 0.00 0.00 66.02 65.33 1sy9 s SER 101 CO 0.08 -1.38 1.53 0.00 0.41 0.00 0.00 173.24 173.89 1sy9 h ALA 102 N -0.24 0.75 -0.48 1.44 0.00 -1.95 -2.89 119.26 115.89 1sy9 h ALA 102 Ca -0.43 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 53.96 1sy9 h ALA 102 Cb 1.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1sy9 h ALA 102 CO 0.54 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.64 1sy9 h ALA 103 N 1.02 1.41 -0.33 0.00 0.00 -2.00 -2.29 119.26 117.06 1sy9 h ALA 103 Ca 0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1sy9 h ALA 103 Cb 1.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1sy9 h ALA 103 CO 0.10 0.44 -0.35 0.93 0.00 0.00 0.00 179.25 180.36 1sy9 h GLU 104 N 0.68 0.76 -0.48 0.00 5.08 -1.85 -2.95 114.58 115.83 1sy9 h GLU 104 Ca 0.16 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1sy9 h GLU 104 Cb 0.16 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1sy9 h GLU 104 CO -0.01 1.00 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.86 1sy9 h LEU 105 N 0.64 0.88 -1.22 1.33 -0.00 -1.30 -3.00 115.31 112.64 1sy9 h LEU 105 Ca 0.06 -0.34 0.01 0.00 -0.00 0.00 0.00 57.88 57.61 1sy9 h LEU 105 Cb 0.90 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 41.28 1sy9 h LEU 105 CO 0.08 1.01 0.52 0.03 -0.00 0.00 0.00 178.44 180.08 1sy9 h ARG 106 N 0.73 1.04 -0.70 1.13 3.08 -1.37 -2.80 114.38 115.48 1sy9 h ARG 106 Ca 0.13 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1sy9 h ARG 106 Cb 0.60 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1sy9 h ARG 106 CO 0.04 0.69 0.43 0.45 -1.07 0.00 0.00 179.97 180.51 1sy9 h HIS 107 N 1.07 0.91 0.03 3.04 3.86 -1.37 -2.14 115.15 120.55 1sy9 h HIS 107 Ca 0.29 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1sy9 h HIS 107 Cb -0.12 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.05 1sy9 h HIS 107 CO 0.00 0.60 -0.01 0.28 0.86 0.00 0.00 177.93 179.66 1sy9 h VAL 108 N 0.95 1.42 -0.99 2.45 2.07 -1.53 -2.45 116.25 118.17 1sy9 h VAL 108 Ca 0.25 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.23 1sy9 h VAL 108 Cb -0.05 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1sy9 h VAL 108 CO -0.05 0.39 0.65 0.24 0.02 0.00 0.00 177.57 178.82 1sy9 h MET 109 N -0.74 1.27 -0.31 1.57 2.07 -1.55 0.18 114.93 117.43 1sy9 h MET 109 Ca -0.00 -0.08 -0.03 0.00 -2.07 0.00 0.00 59.70 57.52 1sy9 h MET 109 Cb 0.67 -0.29 -0.01 0.00 -1.87 0.00 0.00 31.60 30.10 1sy9 h MET 109 CO 0.01 0.84 0.07 1.15 1.07 0.00 0.00 176.91 180.05 1sy9 h THR 110 N 1.31 1.22 -0.34 2.22 2.02 -1.46 0.11 112.91 117.99 1sy9 h THR 110 Ca 0.37 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1sy9 h THR 110 Cb -0.10 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1sy9 h THR 110 CO -0.09 0.25 0.15 -1.13 0.37 0.00 0.00 175.52 175.06 1sy9 h ASN 111 N 0.34 0.41 -0.04 4.18 -0.00 -0.90 -1.33 115.58 118.25 1sy9 h ASN 111 Ca 0.10 -0.03 -0.14 0.00 -0.00 0.00 0.00 56.30 56.22 1sy9 h ASN 111 Cb 0.30 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.51 1sy9 h ASN 111 CO 0.00 0.37 -0.44 -0.07 -0.00 0.00 0.00 177.43 177.29 1sy9 h LEU 112 N 0.47 0.62 0.00 0.34 3.38 0.03 -3.47 115.31 116.67 1sy9 h LEU 112 Ca 0.12 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1sy9 h LEU 112 Cb 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1sy9 h LEU 112 CO -0.01 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.10 1sy9 n GLY 113 N 0.06 1.93 3.20 0.83 0.00 0.12 -4.98 105.19 106.35 1sy9 n GLY 113 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.07 3.04 -0.27 1.61 2.02 0.14 -5.00 118.70 120.16 1sy9 s GLU 114 Ca 0.00 -0.86 -0.11 0.00 0.02 0.00 0.00 54.97 54.02 1sy9 s GLU 114 Cb 0.00 -2.38 -0.05 0.00 0.10 0.00 0.00 34.13 31.80 1sy9 s GLU 114 CO 0.00 0.08 0.18 0.15 0.02 0.00 0.00 175.26 175.69 1sy9 s LYS 115 N 0.59 3.97 0.06 1.61 1.02 -1.26 -3.71 119.74 122.02 1sy9 s LYS 115 Ca -0.13 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 55.56 1sy9 s LYS 115 Cb -0.17 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 1sy9 s LYS 115 CO 0.03 -0.13 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.76 1sy9 s LEU 116 N 1.62 2.39 0.67 3.17 1.02 -1.26 -5.14 118.68 121.14 1sy9 s LEU 116 Ca 0.07 -0.78 -0.08 0.00 0.02 0.00 0.00 54.13 53.36 1sy9 s LEU 116 Cb -0.16 0.00 0.03 0.00 0.02 0.00 0.00 46.19 46.09 1sy9 s LEU 116 CO 0.10 -0.40 1.00 -0.89 0.02 0.00 0.00 176.35 176.18 1sy9 s THR 117 N -2.68 3.02 0.42 5.49 2.01 -1.26 -4.94 115.64 117.71 1sy9 s THR 117 Ca -0.01 -0.01 0.28 0.00 0.31 0.00 0.00 61.69 62.26 1sy9 s THR 117 Cb -0.01 -3.27 0.30 0.00 0.01 0.00 0.00 72.50 69.53 1sy9 s THR 117 CO -0.04 -0.30 2.08 0.44 -0.69 0.00 0.00 174.62 176.11 1sy9 h ASP 118 N -0.47 0.00 -0.09 3.53 3.32 -2.00 -1.45 116.42 119.25 1sy9 h ASP 118 Ca -0.45 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 1sy9 h ASP 118 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1sy9 h ASP 118 CO 0.62 0.11 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.58 1sy9 h GLU 119 N 0.00 0.58 -0.43 3.56 5.08 -2.00 -2.12 114.58 119.25 1sy9 h GLU 119 Ca -0.00 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1sy9 h GLU 119 Cb 0.32 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1sy9 h GLU 119 CO 0.01 0.84 -0.00 0.93 -1.00 0.00 0.00 179.01 179.79 1sy9 h GLU 120 N 0.49 0.70 -0.32 2.33 5.08 -1.63 -2.64 114.58 118.59 1sy9 h GLU 120 Ca 0.06 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 1sy9 h GLU 120 Cb 0.82 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1sy9 h GLU 120 CO 0.07 0.71 -0.43 0.28 -1.00 0.00 0.00 179.01 178.65 1sy9 h VAL 121 N 0.66 1.28 -0.36 3.13 2.07 -1.25 -3.10 116.25 118.68 1sy9 h VAL 121 Ca 0.13 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 66.05 1sy9 h VAL 121 Cb 0.41 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1sy9 h VAL 121 CO 0.02 0.53 0.23 -0.78 0.02 0.00 0.00 177.57 177.58 1sy9 h ASP 122 N 0.65 0.39 -1.00 0.57 1.82 -1.04 -2.36 116.42 115.46 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 1.00 -0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.86 1sy9 h ASP 122 CO 0.10 0.28 0.66 -0.08 -1.61 0.00 0.00 179.24 178.59 1sy9 h GLU 123 N 0.47 1.32 -1.01 0.28 4.81 -1.52 -1.72 114.58 117.21 1sy9 h GLU 123 Ca 0.13 -0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.40 1sy9 h GLU 123 Cb -0.04 -0.30 -0.08 0.00 0.63 0.00 0.00 28.75 28.96 1sy9 h GLU 123 CO -0.04 0.88 0.63 0.52 -0.73 0.00 0.00 179.01 180.28 1sy9 h MET 124 N 1.36 0.98 -0.52 1.92 2.86 -1.35 0.60 114.93 120.77 1sy9 h MET 124 Ca 0.37 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.86 1sy9 h MET 124 Cb -0.15 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.27 1sy9 h MET 124 CO -0.08 0.65 -0.01 0.82 1.06 0.00 0.00 176.91 179.35 1sy9 h ILE 125 N 1.01 1.25 -1.01 -1.22 2.04 -1.13 -3.03 117.51 115.42 1sy9 h ILE 125 Ca 0.50 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1sy9 h ILE 125 Cb 0.48 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1sy9 h ILE 125 CO -0.26 0.38 0.66 -0.09 0.00 0.00 0.00 178.15 178.84 1sy9 h ARG 126 N 0.82 1.29 -0.95 2.37 2.43 -0.48 0.63 114.38 120.49 1sy9 h ARG 126 Ca 0.15 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1sy9 h ARG 126 Cb 0.50 -0.29 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 1sy9 h ARG 126 CO 0.02 0.85 0.57 0.93 -1.51 0.00 0.00 179.97 180.84 1sy9 h GLU 127 N 1.33 1.30 0.00 0.20 5.08 -1.33 -3.14 114.58 118.01 1sy9 h GLU 127 Ca 0.38 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1sy9 h GLU 127 Cb -0.08 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.89 1sy9 h GLU 127 CO -0.10 0.90 -1.66 0.00 -1.00 0.00 0.00 179.01 177.15 1sy9 n ALA 128 N -2.40 3.29 -2.45 3.43 0.00 -1.07 -4.70 120.51 116.62 1sy9 n ALA 128 Ca 0.11 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1sy9 n ALA 128 Cb 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.01 4.86 -0.25 0.00 2.03 0.22 -4.74 116.55 116.66 1sy9 n ASP 129 Ca -0.02 -2.98 -0.07 0.00 0.52 0.00 0.00 54.79 52.24 1sy9 n ASP 129 Cb 0.47 -1.59 0.05 0.00 -0.72 0.00 0.00 41.12 39.32 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 4.42 1.26 -0.91 5.18 2.04 -1.84 -2.86 117.51 124.80 1sy9 h ILE 130 Ca 0.42 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1sy9 h ILE 130 Cb 0.75 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1sy9 h ILE 130 CO 1.53 0.38 0.60 -2.24 0.00 0.00 0.00 178.15 178.42 1sy9 h ASP 131 N 1.08 0.99 0.00 1.72 2.03 -1.96 -3.46 116.42 116.82 1sy9 h ASP 131 Ca 0.22 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1sy9 h ASP 131 Cb 0.39 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1sy9 h ASP 131 CO 0.00 0.68 0.00 0.61 -1.03 0.00 0.00 179.24 179.50 1sy9 n GLY 132 N -1.39 0.88 0.02 7.15 0.00 -1.08 -4.96 105.19 105.80 1sy9 n GLY 132 Ca 0.12 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 0.25 0.20 0.00 1.61 5.75 -1.26 -4.91 116.55 118.19 1sy9 n ASP 133 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1sy9 n ASP 133 Cb 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 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 0.75 2.95 6.12 0.00 -1.26 -5.04 105.19 110.18 1sy9 n GLY 134 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 0.63 -0.26 1.61 -0.21 -1.26 -4.93 119.66 114.76 1sy9 s GLN 135 Ca 0.00 -0.19 -0.18 0.00 0.02 0.00 0.00 55.36 55.01 1sy9 s GLN 135 Cb 0.00 -0.62 -0.03 0.00 1.00 0.00 0.00 33.01 33.36 1sy9 s GLN 135 CO 0.00 0.06 0.53 0.08 -2.12 0.00 0.00 175.29 173.84 1sy9 s VAL 136 N 0.22 5.06 0.34 1.09 1.01 -1.26 -4.86 120.40 122.01 1sy9 s VAL 136 Ca -0.03 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1sy9 s VAL 136 Cb -0.07 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.54 1sy9 s VAL 136 CO -0.00 0.08 0.47 0.59 0.00 0.00 0.00 175.10 176.23 1sy9 n ASN 137 N 5.56 0.91 0.04 3.32 3.02 -1.26 -3.18 115.26 123.66 1sy9 n ASN 137 Ca -0.04 -1.70 -0.12 0.00 -0.03 0.00 0.00 54.58 52.69 1sy9 n ASN 137 Cb 0.50 -0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 39.32 1sy9 n ASN 137 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1sy9 h TYR 138 N -0.21 0.00 -0.53 3.10 5.03 -1.98 -0.98 116.97 121.41 1sy9 h TYR 138 Ca -0.16 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.16 1sy9 h TYR 138 Cb 0.64 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.90 1sy9 h TYR 138 CO 0.00 0.00 0.35 0.93 -1.32 0.00 0.00 178.16 178.12 1sy9 h GLU 139 N 0.00 0.70 -0.78 1.82 4.39 -1.98 -2.34 114.58 116.39 1sy9 h GLU 139 Ca 0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1sy9 h GLU 139 Cb -0.00 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 1sy9 h GLU 139 CO -0.00 0.46 0.37 0.93 -1.16 0.00 0.00 179.01 179.61 1sy9 h GLU 140 N 0.71 1.12 -0.82 2.33 5.08 -1.84 -2.58 114.58 118.58 1sy9 h GLU 140 Ca 0.19 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1sy9 h GLU 140 Cb -0.08 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 28.93 1sy9 h GLU 140 CO -0.04 0.87 0.54 0.35 -1.00 0.00 0.00 179.01 179.73 1sy9 h PHE 141 N 1.11 1.03 -0.52 4.33 3.04 -0.67 -2.69 116.94 122.57 1sy9 h PHE 141 Ca 0.27 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.12 1sy9 h PHE 141 Cb 0.12 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.27 1sy9 h PHE 141 CO 0.01 0.65 -0.16 0.28 -2.02 0.00 0.00 178.31 177.08 1sy9 h VAL 142 N 1.11 1.27 -1.01 1.41 2.07 -1.07 -3.07 116.25 116.97 1sy9 h VAL 142 Ca 0.30 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1sy9 h VAL 142 Cb -0.13 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1sy9 h VAL 142 CO -0.06 0.46 0.67 1.56 0.02 0.00 0.00 177.57 180.22 1sy9 h GLN 143 N 0.90 1.33 -0.95 1.57 4.20 -1.19 0.06 115.11 121.02 1sy9 h GLN 143 Ca 0.13 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1sy9 h GLN 143 Cb 0.73 -0.30 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1sy9 h GLN 143 CO 0.06 0.88 0.63 1.98 -0.67 0.00 0.00 178.83 181.70 1sy9 h MET 144 N 1.36 1.25 0.02 1.46 4.05 -1.39 0.09 114.93 121.79 1sy9 h MET 144 Ca 0.37 -0.08 -0.22 0.00 -0.28 0.00 0.00 59.70 59.49 1sy9 h MET 144 Cb -0.16 -0.28 -0.00 0.00 -0.80 0.00 0.00 31.60 30.36 1sy9 h MET 144 CO -0.08 0.83 -0.96 0.52 0.23 0.00 0.00 176.91 177.45 1sy9 h MET 145 N 1.29 0.29 -0.83 0.39 2.86 -1.43 -3.20 114.93 114.31 1sy9 h MET 145 Ca 0.35 -0.34 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1sy9 h MET 145 Cb -0.15 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.55 1sy9 h MET 145 CO -0.07 1.06 0.15 2.41 1.06 0.00 0.00 176.91 181.51 1sy9 n THR 146 N -3.67 2.00 -0.36 2.22 -1.04 -0.03 -4.45 114.28 108.95 1sy9 n THR 146 Ca -0.05 -1.01 -0.02 0.00 -2.04 0.00 0.00 64.05 60.92 1sy9 n THR 146 Cb 0.86 -0.47 0.10 0.00 -1.82 0.00 0.00 70.33 69.00 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 2.59 1.22 -0.03 2.41 0.00 -0.99 -3.48 119.26 120.99 1sy9 h ALA 147 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sy9 h ALA 147 Cb 1.72 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1sy9 h ALA 147 CO 0.46 0.61 0.00 1.63 0.00 0.00 0.00 179.25 181.94