#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 -5.68 -3.63 0.00 -0.08 -1.26 -4.97 116.55 100.93 1sy9 n ASP 2 Ca 0.00 -0.91 0.00 0.00 -1.51 0.00 0.00 54.79 52.37 1sy9 n ASP 2 Cb 0.00 -3.71 0.00 0.00 2.34 0.00 0.00 41.12 39.75 1sy9 n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sy9 n GLN 3 N -3.83 1.38 -0.00 -0.67 10.64 -1.26 -4.99 117.38 118.64 1sy9 n GLN 3 Ca -0.09 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.09 1sy9 n GLN 3 Cb 0.59 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.96 1sy9 n GLN 3 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1sy9 n LEU 4 N 0.00 0.00 0.02 2.61 4.77 -1.26 -4.62 117.00 118.51 1sy9 n LEU 4 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1sy9 n LEU 4 Cb 0.00 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.38 1sy9 n LEU 4 CO 0.00 0.00 0.71 0.35 -1.33 0.00 0.00 177.39 177.12 1sy9 n THR 5 N -1.61 1.14 0.24 -5.08 -2.24 -1.26 -3.11 114.28 102.36 1sy9 n THR 5 Ca -0.01 0.30 0.12 0.00 -2.27 0.00 0.00 64.05 62.19 1sy9 n THR 5 Cb 0.09 -1.11 0.65 0.00 -2.10 0.00 0.00 70.33 67.85 1sy9 n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sy9 h GLU 6 N 0.00 0.00 -0.14 -0.78 5.08 -1.97 -0.67 114.58 116.10 1sy9 h GLU 6 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1sy9 h GLU 6 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1sy9 h GLU 6 CO 0.00 0.00 -0.33 0.93 -1.00 0.00 0.00 179.01 178.61 1sy9 h GLU 7 N 0.00 0.47 -0.21 2.33 5.08 -1.93 -3.07 114.58 117.26 1sy9 h GLU 7 Ca 0.00 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 57.92 1sy9 h GLU 7 Cb 0.45 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1sy9 h GLU 7 CO 0.00 0.93 -0.38 1.96 -1.00 0.00 0.00 179.01 180.52 1sy9 h GLN 8 N 0.08 0.46 -0.60 2.33 4.20 -1.41 -3.07 115.11 117.10 1sy9 h GLN 8 Ca -0.00 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.53 1sy9 h GLN 8 Cb 0.94 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 1sy9 h GLN 8 CO 0.07 0.77 0.40 0.82 -0.67 0.00 0.00 178.83 180.22 1sy9 h ILE 9 N 0.39 1.06 0.51 2.54 2.04 -1.38 -2.92 117.51 119.74 1sy9 h ILE 9 Ca 0.04 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1sy9 h ILE 9 Cb 0.84 0.32 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1sy9 h ILE 9 CO 0.07 0.12 -0.25 0.00 0.00 0.00 0.00 178.15 178.10 1sy9 h ALA 10 N 1.66 -0.69 -0.92 1.87 0.00 -1.44 -1.70 119.26 118.04 1sy9 h ALA 10 Ca 0.25 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1sy9 h ALA 10 Cb 0.13 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1sy9 h ALA 10 CO -0.07 -0.82 0.59 1.05 0.00 0.00 0.00 179.25 180.00 1sy9 h GLU 11 N -0.82 0.91 -0.01 0.00 4.11 -1.66 0.80 114.58 117.92 1sy9 h GLU 11 Ca -0.07 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.22 1sy9 h GLU 11 Cb 0.58 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1sy9 h GLU 11 CO 0.12 0.60 -0.41 0.74 0.07 0.00 0.00 179.01 180.13 1sy9 h PHE 12 N 0.94 0.01 -0.41 2.06 0.04 -1.45 -2.69 116.94 115.44 1sy9 h PHE 12 Ca 0.42 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.06 1sy9 h PHE 12 Cb 0.37 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1sy9 h PHE 12 CO -0.00 0.42 -0.25 -0.22 -0.60 0.00 0.00 178.31 177.65 1sy9 h LYS 13 N 0.01 0.85 0.94 1.51 3.64 0.10 -2.38 116.57 121.24 1sy9 h LYS 13 Ca -0.00 -0.37 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1sy9 h LYS 13 Cb 0.73 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1sy9 h LYS 13 CO 0.05 1.01 -0.45 1.49 -2.27 0.00 0.00 179.45 179.28 1sy9 h GLU 14 N 0.73 -1.21 -0.24 1.90 4.81 -1.02 -3.12 114.58 116.43 1sy9 h GLU 14 Ca 0.09 0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1sy9 h GLU 14 Cb 0.80 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1sy9 h GLU 14 CO 0.07 -0.81 -0.05 0.00 -0.73 0.00 0.00 179.01 177.49 1sy9 h ALA 15 N -1.18 1.47 -0.26 2.92 0.00 -1.59 -2.89 119.26 117.73 1sy9 h ALA 15 Ca -0.13 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1sy9 h ALA 15 Cb 0.96 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1sy9 h ALA 15 CO 0.21 0.37 0.11 0.35 0.00 0.00 0.00 179.25 180.29 1sy9 h PHE 16 N 0.36 0.20 -0.53 0.00 3.57 -1.37 0.15 116.94 119.32 1sy9 h PHE 16 Ca 0.08 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1sy9 h PHE 16 Cb 0.32 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1sy9 h PHE 16 CO 0.01 0.10 0.03 1.03 -2.23 0.00 0.00 178.31 177.25 1sy9 h SER 17 N 0.24 0.85 -1.00 0.41 0.87 -1.50 -1.28 113.55 112.14 1sy9 h SER 17 Ca 0.11 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1sy9 h SER 17 Cb 0.06 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.75 1sy9 h SER 17 CO -0.10 0.89 0.66 0.25 -0.53 0.00 0.00 176.83 178.01 1sy9 h LEU 18 N 0.82 1.16 -0.44 2.23 5.85 -1.12 -2.20 115.31 121.62 1sy9 h LEU 18 Ca 0.16 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 1sy9 h LEU 18 Cb 0.45 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1sy9 h LEU 18 CO 0.02 0.84 -0.78 0.15 -0.34 0.00 0.00 178.44 178.33 1sy9 h PHE 19 N 1.36 0.07 -3.09 1.25 3.04 -0.32 -3.40 116.94 115.85 1sy9 h PHE 19 Ca 0.37 -0.03 -0.68 0.00 3.98 0.00 0.00 57.97 61.61 1sy9 h PHE 19 Cb -0.15 -0.01 -0.18 0.00 2.56 0.00 0.00 35.95 38.17 1sy9 h PHE 19 CO 0.00 0.81 0.17 0.34 -2.02 0.00 0.00 178.31 177.60 1sy9 s ASP 20 N -6.82 6.22 0.30 0.41 -1.08 -0.52 -4.90 116.67 110.28 1sy9 s ASP 20 Ca -0.01 -1.02 -0.02 0.00 -0.52 0.00 0.00 52.55 50.99 1sy9 s ASP 20 Cb 0.11 -2.32 0.45 0.00 -1.46 0.00 0.00 42.92 39.70 1sy9 s ASP 20 CO 0.79 -1.04 1.97 0.11 0.52 0.00 0.00 175.17 177.52 1sy9 h LYS 21 N 9.14 1.08 0.00 4.34 6.56 -1.79 -2.31 116.57 133.59 1sy9 h LYS 21 Ca -0.28 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 1sy9 h LYS 21 Cb 1.09 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 1sy9 h LYS 21 CO 1.04 0.72 0.00 -0.25 -2.06 0.00 0.00 179.45 178.90 1sy9 n ASP 22 N -4.41 0.30 -2.20 0.86 8.00 -1.26 -4.88 116.55 112.95 1sy9 n ASP 22 Ca 0.09 0.54 -0.17 0.00 0.71 0.00 0.00 54.79 55.96 1sy9 n ASP 22 Cb 0.03 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.49 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 1.14 -0.02 0.42 0.44 0.00 -0.87 -4.81 105.19 101.48 1sy9 n GLY 23 Ca 0.06 0.00 0.14 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 -1.67 1.36 0.00 1.61 5.75 -1.26 -4.91 116.55 117.42 1sy9 n ASP 24 Ca -0.19 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1sy9 n ASP 24 Cb 0.63 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 1.20 0.75 3.12 6.12 0.00 -1.26 -5.06 105.19 110.05 1sy9 n GLY 25 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.33 0.03 -0.18 2.61 -4.23 -1.26 -4.37 115.64 105.90 1sy9 s THR 26 Ca 0.00 -0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.22 1sy9 s THR 26 Cb 0.00 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 1sy9 s THR 26 CO 0.00 -0.12 0.04 -0.63 -0.54 0.00 0.00 174.62 173.37 1sy9 s ILE 27 N -0.42 4.62 0.00 2.99 1.01 -1.25 -4.91 121.20 123.24 1sy9 s ILE 27 Ca -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1sy9 s ILE 27 Cb -0.03 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1sy9 s ILE 27 CO 0.01 0.47 -0.00 0.42 0.00 0.00 0.00 174.94 175.84 1sy9 s THR 28 N 0.36 4.13 0.51 2.92 -4.23 -1.26 -4.21 115.64 113.85 1sy9 s THR 28 Ca 0.02 -0.63 0.39 0.00 -1.18 0.00 0.00 61.69 60.28 1sy9 s THR 28 Cb -0.13 -2.84 0.59 0.00 1.34 0.00 0.00 72.50 71.46 1sy9 s THR 28 CO 0.01 0.36 1.66 0.71 -0.54 0.00 0.00 174.62 176.82 1sy9 h THR 29 N 3.50 0.18 0.01 3.99 1.35 -1.93 0.25 112.91 120.26 1sy9 h THR 29 Ca -0.49 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1sy9 h THR 29 Cb 1.18 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1sy9 h THR 29 CO 0.57 0.01 -0.01 0.11 -0.25 0.00 0.00 175.52 175.96 1sy9 h LYS 30 N 0.05 -0.01 0.46 4.72 1.57 -1.97 -1.85 116.57 119.53 1sy9 h LYS 30 Ca 0.79 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.54 1sy9 h LYS 30 Cb 2.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.19 1sy9 h LYS 30 CO -0.16 0.26 -0.22 0.93 -0.57 0.00 0.00 179.45 179.69 1sy9 h GLU 31 N -0.28 -0.59 -0.57 3.15 5.08 -0.90 -2.91 114.58 117.55 1sy9 h GLU 31 Ca -0.00 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1sy9 h GLU 31 Cb 0.28 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1sy9 h GLU 31 CO 0.00 -0.39 0.38 1.25 -1.00 0.00 0.00 179.01 179.25 1sy9 h LEU 32 N -0.62 0.66 -1.87 1.33 6.46 -1.52 -2.46 115.31 117.28 1sy9 h LEU 32 Ca -0.06 -0.02 0.28 0.00 -0.12 0.00 0.00 57.88 57.96 1sy9 h LEU 32 Cb 0.47 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 1sy9 h LEU 32 CO 0.10 0.48 0.71 1.23 -0.62 0.00 0.00 178.44 180.34 1sy9 h GLY 33 N 0.78 0.24 1.15 3.75 0.00 -1.12 0.12 103.07 107.98 1sy9 h GLY 33 Ca 0.21 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.33 1sy9 h GLY 33 CO -0.05 -0.02 -0.41 -0.84 0.00 0.00 0.00 176.54 175.22 1sy9 h THR 34 N 0.09 1.27 0.65 4.70 2.02 -1.50 -1.85 112.91 118.29 1sy9 h THR 34 Ca 0.50 -1.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1sy9 h THR 34 Cb 1.81 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 69.65 1sy9 h THR 34 CO -0.06 0.53 -0.31 0.58 0.37 0.00 0.00 175.52 176.63 1sy9 h VAL 35 N 0.75 0.29 -0.15 3.16 2.07 -0.90 -2.52 116.25 118.95 1sy9 h VAL 35 Ca 0.05 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1sy9 h VAL 35 Cb 1.01 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1sy9 h VAL 35 CO 0.10 0.02 0.09 0.24 0.02 0.00 0.00 177.57 178.04 1sy9 h MET 36 N -1.01 0.20 -0.12 1.57 2.86 -1.58 -1.90 114.93 114.96 1sy9 h MET 36 Ca -0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1sy9 h MET 36 Cb 0.71 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1sy9 h MET 36 CO 0.15 0.15 0.08 -0.09 1.06 0.00 0.00 176.91 178.25 1sy9 h ARG 37 N 0.21 0.15 0.00 1.72 1.12 -0.41 -0.47 114.38 116.70 1sy9 h ARG 37 Ca 0.06 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1sy9 h ARG 37 Cb 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 1sy9 h ARG 37 CO -0.01 0.10 0.00 0.45 -3.11 0.00 0.00 179.97 177.40 1sy9 n SER 38 N -5.01 0.43 0.07 -3.80 2.88 -0.90 -2.76 113.62 104.53 1sy9 n SER 38 Ca -0.05 0.59 -0.14 0.00 -1.33 0.00 0.00 58.87 57.95 1sy9 n SER 38 Cb 0.03 -0.69 -0.14 0.00 -0.75 0.00 0.00 64.21 62.67 1sy9 n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1sy9 h LEU 39 N 0.00 0.28 0.00 2.46 5.85 -0.36 -3.47 115.31 120.07 1sy9 h LEU 39 Ca 0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1sy9 h LEU 39 Cb 0.38 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1sy9 h LEU 39 CO 0.00 1.28 0.00 0.61 -0.34 0.00 0.00 178.44 179.99 1sy9 n GLY 40 N 1.54 0.28 3.43 3.75 0.00 -0.58 -4.98 105.19 108.63 1sy9 n GLY 40 Ca -0.10 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 1.13 -0.35 1.61 0.74 -0.67 -4.97 119.66 117.15 1sy9 s GLN 41 Ca 0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 55.36 55.17 1sy9 s GLN 41 Cb 0.00 0.52 0.08 0.00 1.10 0.00 0.00 33.01 34.71 1sy9 s GLN 41 CO 0.00 -0.43 0.10 0.54 -0.55 0.00 0.00 175.29 174.95 1sy9 s ASN 42 N -2.11 5.06 0.00 6.67 4.22 -1.26 -1.59 114.94 125.94 1sy9 s ASN 42 Ca -0.04 -1.67 0.00 0.00 -2.14 0.00 0.00 52.86 49.01 1sy9 s ASN 42 Cb -0.00 -1.76 0.00 0.00 1.28 0.00 0.00 41.25 40.76 1sy9 s ASN 42 CO -0.03 -0.40 0.00 -0.81 -2.04 0.00 0.00 177.10 173.82 1sy9 n PRO 43 N 4.59 1.90 -4.03 3.55 -0.04 -1.26 -4.99 135.00 134.72 1sy9 n PRO 43 Ca -0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.31 1sy9 n PRO 43 Cb 0.42 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.16 0.63 0.52 -4.23 -1.26 -5.01 115.64 106.45 1sy9 s THR 44 Ca 0.00 -1.32 0.28 0.00 -1.18 0.00 0.00 61.69 59.48 1sy9 s THR 44 Cb 0.00 -0.84 0.33 0.00 1.34 0.00 0.00 72.50 73.33 1sy9 s THR 44 CO 0.00 -0.73 1.89 -0.33 -0.54 0.00 0.00 174.62 174.91 1sy9 h GLU 45 N 3.96 0.00 0.38 3.99 5.08 -1.97 0.59 114.58 126.61 1sy9 h GLU 45 Ca -0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1sy9 h GLU 45 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1sy9 h GLU 45 CO 0.52 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 178.35 1sy9 h ALA 46 N 1.36 -0.50 -0.10 3.43 0.00 -2.00 -2.93 119.26 118.51 1sy9 h ALA 46 Ca 0.10 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1sy9 h ALA 46 Cb 0.94 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1sy9 h ALA 46 CO -0.00 -0.47 -0.46 0.93 0.00 0.00 0.00 179.25 179.25 1sy9 h GLU 47 N -1.13 0.25 -0.41 0.00 5.08 -1.78 -2.79 114.58 113.80 1sy9 h GLU 47 Ca -0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1sy9 h GLU 47 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1sy9 h GLU 47 CO 0.08 0.66 0.27 -0.07 -1.00 0.00 0.00 179.01 178.96 1sy9 h LEU 48 N 0.20 0.47 -0.64 1.33 3.38 0.06 -1.98 115.31 118.13 1sy9 h LEU 48 Ca 0.01 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1sy9 h LEU 48 Cb 0.89 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1sy9 h LEU 48 CO 0.07 0.35 -0.62 -0.61 0.09 0.00 0.00 178.44 177.72 1sy9 h GLN 49 N 0.56 0.21 -0.24 1.13 4.15 -1.29 -3.03 115.11 116.60 1sy9 h GLN 49 Ca 0.15 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 1sy9 h GLN 49 Cb -0.06 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 1sy9 h GLN 49 CO -0.03 0.76 -0.24 0.22 -1.93 0.00 0.00 178.83 177.61 1sy9 h ASP 50 N 0.16 0.62 -0.72 -0.69 1.82 -1.33 -1.74 116.42 114.52 1sy9 h ASP 50 Ca -0.01 -0.48 -0.05 0.00 -0.39 0.00 0.00 57.03 56.11 1sy9 h ASP 50 Cb 1.13 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.93 1sy9 h ASP 50 CO 0.09 0.97 0.28 0.00 -1.61 0.00 0.00 179.24 178.98 1sy9 h MET 51 N 0.28 1.10 -0.17 0.28 -0.00 -1.55 -2.16 114.93 112.71 1sy9 h MET 51 Ca 0.04 -0.20 -0.11 0.00 -0.00 0.00 0.00 59.70 59.43 1sy9 h MET 51 Cb 0.80 -0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 32.21 1sy9 h MET 51 CO 0.06 0.90 -0.37 0.82 -0.00 0.00 0.00 176.91 178.32 1sy9 h ILE 52 N 1.07 1.30 -1.00 -0.10 2.04 -1.50 -3.12 117.51 116.20 1sy9 h ILE 52 Ca 0.25 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.65 1sy9 h ILE 52 Cb 0.22 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1sy9 h ILE 52 CO -0.02 0.45 0.66 0.78 0.00 0.00 0.00 178.15 180.02 1sy9 h ASN 53 N 0.30 1.15 0.45 1.72 2.35 -0.64 0.66 115.58 121.57 1sy9 h ASN 53 Ca 0.03 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1sy9 h ASN 53 Cb 0.79 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1sy9 h ASN 53 CO 0.06 0.83 -0.25 -0.33 -1.65 0.00 0.00 177.43 176.09 1sy9 h GLU 54 N 1.36 0.00 -0.00 0.81 5.08 -1.46 -2.75 114.58 117.61 1sy9 h GLU 54 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1sy9 h GLU 54 Cb -0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1sy9 h GLU 54 CO -0.08 0.25 -0.99 0.28 -1.00 0.00 0.00 179.01 177.47 1sy9 n VAL 55 N -3.83 0.00 -2.30 3.13 0.31 -0.68 -4.88 118.33 110.07 1sy9 n VAL 55 Ca -0.02 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 1sy9 n VAL 55 Cb 0.35 1.00 -0.02 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 -2.99 6.15 0.12 4.52 1.01 0.22 -4.82 116.67 120.89 1sy9 s ASP 56 Ca 0.08 0.68 0.22 0.00 0.71 0.00 0.00 52.55 54.24 1sy9 s ASP 56 Cb 0.16 -2.54 -0.11 0.00 1.01 0.00 0.00 42.92 41.44 1sy9 s ASP 56 CO 0.86 -1.61 0.85 0.00 0.21 0.00 0.00 175.17 175.48 1sy9 n ALA 57 N 9.47 2.59 0.03 5.23 0.00 -1.26 -4.22 120.51 132.34 1sy9 n ALA 57 Ca 0.16 -0.34 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1sy9 n ALA 57 Cb 0.48 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 1sy9 n ALA 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sy9 h ASP 58 N 0.00 0.92 0.00 0.00 3.32 -1.89 -3.48 116.42 115.29 1sy9 h ASP 58 Ca -0.01 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1sy9 h ASP 58 Cb 1.03 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1sy9 h ASP 58 CO 0.00 1.51 0.00 0.61 -1.72 0.00 0.00 179.24 179.64 1sy9 n GLY 59 N 1.00 0.50 0.21 2.75 0.00 -1.26 -4.95 105.19 103.44 1sy9 n GLY 59 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 0.90 0.00 1.61 -1.07 -1.93 -3.48 115.58 111.62 1sy9 h ASN 60 Ca 0.00 -0.65 0.00 0.00 0.07 0.00 0.00 56.30 55.72 1sy9 h ASN 60 Cb 0.00 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 35.98 1sy9 h ASN 60 CO 0.00 1.45 0.00 0.61 0.07 0.00 0.00 177.43 179.56 1sy9 n GLY 61 N 0.88 0.82 3.21 9.14 0.00 -1.26 -5.13 105.19 112.84 1sy9 n GLY 61 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.62 0.66 -0.29 2.61 -4.23 -1.26 -4.95 115.64 106.55 1sy9 s THR 62 Ca 0.00 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 58.43 1sy9 s THR 62 Cb 0.00 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 1sy9 s THR 62 CO 0.00 -0.63 0.22 -0.63 -0.54 0.00 0.00 174.62 173.04 1sy9 s ILE 63 N -3.66 5.29 0.57 2.99 1.01 -1.26 -4.87 121.20 121.27 1sy9 s ILE 63 Ca 0.19 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.99 1sy9 s ILE 63 Cb 0.06 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.98 1sy9 s ILE 63 CO 0.01 0.18 0.79 -1.81 0.00 0.00 0.00 174.94 174.11 1sy9 s ASP 64 N 1.74 5.17 0.24 3.58 1.01 -1.26 -3.81 116.67 123.33 1sy9 s ASP 64 Ca 0.08 -0.10 -0.09 0.00 0.71 0.00 0.00 52.55 53.14 1sy9 s ASP 64 Cb -0.16 -0.72 0.37 0.00 1.01 0.00 0.00 42.92 43.42 1sy9 s ASP 64 CO 0.11 -1.23 1.62 0.15 0.21 0.00 0.00 175.17 176.04 1sy9 h PHE 65 N 0.02 -0.20 -0.14 4.23 3.57 -1.99 0.73 116.94 123.16 1sy9 h PHE 65 Ca -0.41 0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.06 1sy9 h PHE 65 Cb 1.29 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.22 1sy9 h PHE 65 CO 0.30 -0.27 -0.30 -1.00 -2.23 0.00 0.00 178.31 174.81 1sy9 h PRO 66 N 0.05 0.27 -0.10 6.41 0.13 -1.98 -2.67 132.00 134.11 1sy9 h PRO 66 Ca 0.38 -0.10 -0.21 0.00 -0.87 0.00 0.00 66.00 65.20 1sy9 h PRO 66 Cb 0.63 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.76 1sy9 h PRO 66 CO -0.70 0.55 -0.76 0.93 -0.23 0.00 0.00 178.00 177.79 1sy9 h GLU 67 N 0.24 0.69 -0.43 0.86 5.08 -1.40 -2.84 114.58 116.77 1sy9 h GLU 67 Ca 0.03 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1sy9 h GLU 67 Cb 0.66 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1sy9 h GLU 67 CO 0.05 1.22 0.28 0.35 -1.00 0.00 0.00 179.01 179.91 1sy9 h PHE 68 N 0.37 0.55 -0.60 4.33 3.04 -0.84 -2.54 116.94 121.25 1sy9 h PHE 68 Ca -0.07 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.79 1sy9 h PHE 68 Cb 1.41 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.71 1sy9 h PHE 68 CO 0.10 0.36 -0.02 -0.07 -2.02 0.00 0.00 178.31 176.66 1sy9 h LEU 69 N 0.58 1.06 -0.67 0.59 4.07 -1.54 -2.82 115.31 116.58 1sy9 h LEU 69 Ca 0.16 -0.31 -0.00 0.00 0.08 0.00 0.00 57.88 57.81 1sy9 h LEU 69 Cb -0.05 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.37 1sy9 h LEU 69 CO -0.03 1.11 0.41 0.74 -1.08 0.00 0.00 178.44 179.59 1sy9 h THR 70 N 0.98 1.19 -0.43 0.22 2.02 -1.30 -2.77 112.91 112.82 1sy9 h THR 70 Ca 0.17 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 1sy9 h THR 70 Cb 0.58 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1sy9 h THR 70 CO 0.03 0.19 -0.03 -0.03 0.37 0.00 0.00 175.52 176.06 1sy9 h MET 71 N 0.91 0.77 -0.02 6.66 1.85 -1.37 -2.50 114.93 121.23 1sy9 h MET 71 Ca 0.24 -0.26 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1sy9 h MET 71 Cb -0.04 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 31.93 1sy9 h MET 71 CO -0.05 0.86 0.01 1.98 -0.40 0.00 0.00 176.91 179.32 1sy9 h MET 72 N 0.61 0.02 -0.18 0.39 -1.53 -1.35 -1.86 114.93 111.01 1sy9 h MET 72 Ca 0.12 -0.00 -0.07 0.00 -3.44 0.00 0.00 59.70 56.31 1sy9 h MET 72 Cb 0.54 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 1sy9 h MET 72 CO 0.03 0.01 -0.19 0.00 0.14 0.00 0.00 176.91 176.90 1sy9 h ALA 73 N 1.01 1.34 -0.30 0.39 0.00 -1.52 -2.69 119.26 117.49 1sy9 h ALA 73 Ca 0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1sy9 h ALA 73 Cb -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1sy9 h ALA 73 CO -0.00 0.45 -0.54 -0.09 0.00 0.00 0.00 179.25 179.07 1sy9 h ARG 74 N 0.29 0.89 -0.34 0.00 2.43 -1.19 -3.27 114.38 113.19 1sy9 h ARG 74 Ca 0.05 -0.56 -0.15 0.00 -0.81 0.00 0.00 59.98 58.51 1sy9 h ARG 74 Cb 0.50 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1sy9 h ARG 74 CO 0.03 1.20 -0.38 -0.22 -1.51 0.00 0.00 179.97 179.09 1sy9 h LYS 75 N 0.69 0.80 -0.34 0.20 1.63 -1.21 -3.08 116.57 115.25 1sy9 h LYS 75 Ca 0.02 -0.41 0.05 0.00 -0.85 0.00 0.00 60.65 59.46 1sy9 h LYS 75 Cb 1.15 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.74 1sy9 h LYS 75 CO 0.12 1.04 0.08 0.52 -3.45 0.00 0.00 179.45 177.76 1sy9 h MET 76 N 0.66 0.19 -0.39 1.90 2.86 -1.53 0.36 114.93 118.98 1sy9 h MET 76 Ca 0.06 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.52 1sy9 h MET 76 Cb 0.94 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1sy9 h MET 76 CO 0.09 0.13 -0.39 1.57 1.06 0.00 0.00 176.91 179.36 1sy9 h LYS 77 N 0.20 0.95 -0.16 1.72 2.10 -1.65 -3.14 116.57 116.59 1sy9 h LYS 77 Ca 0.16 -0.50 -0.12 0.00 -2.00 0.00 0.00 60.65 58.18 1sy9 h LYS 77 Cb 0.17 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 1sy9 h LYS 77 CO -0.20 1.16 -0.43 0.22 -2.00 0.00 0.00 179.45 178.20 1sy9 h ASP 78 N 0.77 0.41 -4.64 7.07 1.82 -1.40 -3.45 116.42 117.00 1sy9 h ASP 78 Ca 0.06 -0.19 -0.17 0.00 -0.39 0.00 0.00 57.03 56.35 1sy9 h ASP 78 Cb 0.99 -0.12 0.02 0.00 0.68 0.00 0.00 39.33 40.90 1sy9 h ASP 78 CO 0.10 0.80 -0.00 0.41 -1.61 0.00 0.00 179.24 178.93 1sy9 n THR 79 N -4.01 0.00 -5.10 2.25 -1.04 0.12 -5.10 114.28 101.41 1sy9 n THR 79 Ca -0.02 -0.64 -0.32 0.00 -2.04 0.00 0.00 64.05 61.03 1sy9 n THR 79 Cb 0.51 -0.95 -0.15 0.00 -1.82 0.00 0.00 70.33 67.93 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 -2.33 3.49 0.48 8.00 1.01 -1.26 -4.85 116.67 121.22 1sy9 s ASP 80 Ca 0.22 -0.37 0.21 0.00 0.71 0.00 0.00 52.55 53.32 1sy9 s ASP 80 Cb -0.02 -0.75 1.23 0.00 1.01 0.00 0.00 42.92 44.39 1sy9 s ASP 80 CO 0.14 0.30 2.03 0.77 0.21 0.00 0.00 175.17 178.62 1sy9 h SER 81 N 5.67 0.00 -0.46 0.27 4.64 -1.97 -1.98 113.55 119.72 1sy9 h SER 81 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1sy9 h SER 81 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1sy9 h SER 81 CO 0.49 0.16 0.31 -0.33 -0.87 0.00 0.00 176.83 176.58 1sy9 h GLU 82 N 0.00 0.61 -0.41 4.77 5.08 -2.00 -1.47 114.58 121.16 1sy9 h GLU 82 Ca -0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1sy9 h GLU 82 Cb 0.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1sy9 h GLU 82 CO 0.02 0.41 -0.32 0.93 -1.00 0.00 0.00 179.01 179.05 1sy9 h GLU 83 N 0.63 0.93 -0.57 2.33 5.08 -1.78 -2.71 114.58 118.50 1sy9 h GLU 83 Ca 0.17 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1sy9 h GLU 83 Cb -0.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1sy9 h GLU 83 CO -0.04 1.11 0.10 0.93 -1.00 0.00 0.00 179.01 180.11 1sy9 h GLU 84 N 0.78 0.90 -0.10 2.33 5.08 -1.28 -2.73 114.58 119.55 1sy9 h GLU 84 Ca 0.08 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1sy9 h GLU 84 Cb 0.91 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1sy9 h GLU 84 CO 0.08 0.83 -0.01 0.82 -1.00 0.00 0.00 179.01 179.73 1sy9 h ILE 85 N 0.85 1.27 -0.92 3.13 2.04 -1.25 -2.37 117.51 120.28 1sy9 h ILE 85 Ca 0.18 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1sy9 h ILE 85 Cb 0.36 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1sy9 h ILE 85 CO 0.01 0.25 0.61 0.03 0.00 0.00 0.00 178.15 179.04 1sy9 h ARG 86 N -0.12 1.20 -0.35 2.37 3.08 -1.41 -2.29 114.38 116.87 1sy9 h ARG 86 Ca 0.03 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 1sy9 h ARG 86 Cb 0.40 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1sy9 h ARG 86 CO 0.01 0.80 -0.38 0.93 -1.07 0.00 0.00 179.97 180.25 1sy9 h GLU 87 N 1.24 0.87 -0.34 0.04 5.08 -1.49 -2.84 114.58 117.15 1sy9 h GLU 87 Ca 0.34 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1sy9 h GLU 87 Cb -0.14 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1sy9 h GLU 87 CO -0.07 1.12 0.05 0.00 -1.00 0.00 0.00 179.01 179.10 1sy9 h ALA 88 N 0.74 0.45 -0.77 3.43 0.00 -1.22 -2.58 119.26 119.31 1sy9 h ALA 88 Ca 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1sy9 h ALA 88 Cb 0.98 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1sy9 h ALA 88 CO 0.09 0.16 0.35 0.35 0.00 0.00 0.00 179.25 180.21 1sy9 h PHE 89 N 0.39 1.12 -0.67 0.00 3.04 -1.48 -2.56 116.94 116.79 1sy9 h PHE 89 Ca 0.10 -0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1sy9 h PHE 89 Cb 0.37 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 1sy9 h PHE 89 CO 0.03 0.83 0.44 -0.09 -2.02 0.00 0.00 178.31 177.50 1sy9 h ARG 90 N 1.09 0.88 -0.04 1.11 2.43 -1.35 0.89 114.38 119.39 1sy9 h ARG 90 Ca 0.26 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1sy9 h ARG 90 Cb 0.14 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1sy9 h ARG 90 CO -0.03 0.58 -0.03 0.28 -1.51 0.00 0.00 179.97 179.26 1sy9 h VAL 91 N 0.90 1.37 -0.58 0.20 2.07 -1.06 -3.25 116.25 115.91 1sy9 h VAL 91 Ca 0.25 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 1sy9 h VAL 91 Cb -0.10 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1sy9 h VAL 91 CO -0.05 0.31 -0.05 -0.26 0.02 0.00 0.00 177.57 177.54 1sy9 h PHE 92 N -0.36 1.16 -0.19 1.57 0.04 -1.29 -3.32 116.94 114.56 1sy9 h PHE 92 Ca 0.01 -0.22 -0.67 0.00 2.80 0.00 0.00 57.97 59.89 1sy9 h PHE 92 Cb 0.52 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1sy9 h PHE 92 CO 0.09 1.05 2.65 -3.47 -0.60 0.00 0.00 178.31 178.03 1sy9 n ASP 93 N -4.16 3.72 -0.19 2.17 -0.08 0.29 -4.71 116.55 113.58 1sy9 n ASP 93 Ca 0.02 -2.81 -0.06 0.00 -1.51 0.00 0.00 54.79 50.43 1sy9 n ASP 93 Cb 0.38 -1.56 0.03 0.00 2.34 0.00 0.00 41.12 42.30 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1sy9 h LYS 94 N 6.94 0.74 0.00 -0.67 3.64 -1.75 -2.34 116.57 123.12 1sy9 h LYS 94 Ca 0.49 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.74 1sy9 h LYS 94 Cb 0.71 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1sy9 h LYS 94 CO 1.78 0.49 -0.45 0.38 -2.27 0.00 0.00 179.45 179.39 1sy9 h ASP 95 N 0.76 0.00 -1.72 4.20 2.03 -1.94 -3.47 116.42 116.28 1sy9 h ASP 95 Ca 0.21 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.26 1sy9 h ASP 95 Cb -0.09 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 1sy9 h ASP 95 CO -0.05 0.45 -0.31 0.61 -1.03 0.00 0.00 179.24 178.91 1sy9 n GLY 96 N 1.04 -0.11 0.11 7.15 0.00 -0.88 -4.89 105.19 107.60 1sy9 n GLY 96 Ca 0.02 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.32 0.59 0.00 1.61 6.94 -1.26 -4.87 115.26 117.95 1sy9 n ASN 97 Ca -0.14 0.63 0.00 0.00 -0.02 0.00 0.00 54.58 55.04 1sy9 n ASN 97 Cb 0.61 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 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 0.23 1.79 3.17 4.83 0.00 -1.26 -5.08 105.19 108.87 1sy9 n GLY 98 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1sy9 n GLY 98 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sy9 s TYR 99 N -1.76 0.13 -0.15 1.61 1.13 -1.26 -3.44 117.35 113.60 1sy9 s TYR 99 Ca 0.00 -0.43 -0.21 0.00 -1.41 0.00 0.00 57.07 55.02 1sy9 s TYR 99 Cb 0.00 -0.07 -0.03 0.00 -1.10 0.00 0.00 41.96 40.76 1sy9 s TYR 99 CO 0.00 -0.45 0.61 0.42 -2.51 0.00 0.00 175.55 173.62 1sy9 s ILE 100 N -2.97 5.07 0.73 -3.49 1.01 -1.04 -4.90 121.20 115.61 1sy9 s ILE 100 Ca -0.02 1.18 -0.06 0.00 0.00 0.00 0.00 60.65 61.75 1sy9 s ILE 100 Cb 0.01 -3.93 0.09 0.00 0.01 0.00 0.00 42.46 38.64 1sy9 s ILE 100 CO -0.06 0.20 1.03 -0.44 0.00 0.00 0.00 174.94 175.67 1sy9 s SER 101 N 0.97 4.54 0.16 3.58 0.01 -1.26 -3.77 113.70 117.92 1sy9 s SER 101 Ca 0.30 0.25 -0.10 0.00 1.31 0.00 0.00 55.95 57.70 1sy9 s SER 101 Cb -0.16 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.30 1sy9 s SER 101 CO 0.12 -1.76 1.56 0.00 0.41 0.00 0.00 173.24 173.57 1sy9 h ALA 102 N -0.67 0.70 -0.62 1.44 0.00 -1.96 -2.71 119.26 115.43 1sy9 h ALA 102 Ca -0.43 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.04 1sy9 h ALA 102 Cb 1.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1sy9 h ALA 102 CO 0.53 0.65 0.13 0.00 0.00 0.00 0.00 179.25 180.56 1sy9 h ALA 103 N 0.89 1.05 -0.77 0.00 0.00 -1.99 -2.54 119.26 115.89 1sy9 h ALA 103 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sy9 h ALA 103 Cb 0.74 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1sy9 h ALA 103 CO 0.06 0.62 0.48 0.93 0.00 0.00 0.00 179.25 181.33 1sy9 h GLU 104 N 0.94 1.04 -0.87 0.00 5.08 -1.87 -2.02 114.58 116.88 1sy9 h GLU 104 Ca 0.20 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1sy9 h GLU 104 Cb 0.37 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1sy9 h GLU 104 CO 0.00 0.72 0.58 1.25 -1.00 0.00 0.00 179.01 180.56 1sy9 h LEU 105 N 1.06 1.00 -1.44 1.33 6.46 -1.15 -2.53 115.31 120.05 1sy9 h LEU 105 Ca 0.28 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1sy9 h LEU 105 Cb -0.06 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.59 1sy9 h LEU 105 CO -0.05 0.73 0.37 0.03 -0.62 0.00 0.00 178.44 178.89 1sy9 h ARG 106 N 1.18 0.75 -0.44 1.25 3.08 -1.25 -2.61 114.38 116.34 1sy9 h ARG 106 Ca 0.32 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1sy9 h ARG 106 Cb -0.14 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 1sy9 h ARG 106 CO -0.07 0.50 0.29 0.45 -1.07 0.00 0.00 179.97 180.07 1sy9 h HIS 107 N 0.77 0.55 -0.10 3.04 3.86 -1.33 -2.38 115.15 119.56 1sy9 h HIS 107 Ca 0.21 0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 59.22 1sy9 h HIS 107 Cb -0.08 -0.19 0.01 0.00 1.06 0.00 0.00 27.41 28.21 1sy9 h HIS 107 CO 0.00 0.35 -0.80 0.28 0.86 0.00 0.00 177.93 178.62 1sy9 h VAL 108 N 0.59 1.32 -0.29 2.45 2.07 -1.59 -2.54 116.25 118.26 1sy9 h VAL 108 Ca 0.16 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1sy9 h VAL 108 Cb -0.06 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1sy9 h VAL 108 CO -0.03 0.65 0.19 0.24 0.02 0.00 0.00 177.57 178.63 1sy9 h MET 109 N 0.41 0.37 -0.60 1.57 2.07 -1.34 0.12 114.93 117.53 1sy9 h MET 109 Ca -0.05 -0.02 -0.08 0.00 -2.07 0.00 0.00 59.70 57.47 1sy9 h MET 109 Cb 1.41 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 31.03 1sy9 h MET 109 CO 0.15 0.25 0.06 1.15 1.07 0.00 0.00 176.91 179.59 1sy9 h THR 110 N 0.39 1.26 -0.44 2.22 2.02 -1.49 -1.93 112.91 114.93 1sy9 h THR 110 Ca 0.11 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 1sy9 h THR 110 Cb -0.04 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1sy9 h THR 110 CO -0.03 0.39 0.26 0.78 0.37 0.00 0.00 175.52 177.29 1sy9 h ASN 111 N 0.92 0.52 0.33 4.18 2.35 -0.99 -1.04 115.58 121.85 1sy9 h ASN 111 Ca 0.18 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 1sy9 h ASN 111 Cb 0.47 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1sy9 h ASN 111 CO 0.02 0.41 -0.48 -0.07 -1.65 0.00 0.00 177.43 175.66 1sy9 h LEU 112 N 0.61 0.19 0.00 1.61 3.38 -0.11 -3.47 115.31 117.52 1sy9 h LEU 112 Ca 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1sy9 h LEU 112 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1sy9 h LEU 112 CO -0.03 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.75 1sy9 n GLY 113 N -0.05 1.75 3.26 0.83 0.00 -0.40 -5.02 105.19 105.55 1sy9 n GLY 113 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.46 2.80 -0.28 1.61 2.12 -0.92 -5.03 118.70 118.54 1sy9 s GLU 114 Ca 0.00 -0.88 -0.12 0.00 0.36 0.00 0.00 54.97 54.33 1sy9 s GLU 114 Cb 0.00 -2.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 1sy9 s GLU 114 CO 0.00 0.30 0.25 0.15 -0.54 0.00 0.00 175.26 175.42 1sy9 s LYS 115 N 0.06 3.98 0.16 4.30 1.02 -1.26 -4.11 119.74 123.88 1sy9 s LYS 115 Ca -0.10 -0.20 0.05 0.00 0.02 0.00 0.00 55.97 55.75 1sy9 s LYS 115 Cb -0.16 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 1sy9 s LYS 115 CO 0.06 -0.21 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.66 1sy9 s LEU 116 N 1.84 2.54 0.62 3.17 1.43 -1.26 -5.15 118.68 121.88 1sy9 s LEU 116 Ca 0.10 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1sy9 s LEU 116 Cb -0.16 -0.44 -0.00 0.00 0.03 0.00 0.00 46.19 45.62 1sy9 s LEU 116 CO 0.11 -0.28 0.98 0.42 0.23 0.00 0.00 176.35 177.80 1sy9 s THR 117 N -3.22 3.91 0.47 5.49 -4.23 -1.26 -4.93 115.64 111.87 1sy9 s THR 117 Ca 0.18 0.34 0.23 0.00 -1.18 0.00 0.00 61.69 61.26 1sy9 s THR 117 Cb 0.02 -3.58 0.26 0.00 1.34 0.00 0.00 72.50 70.54 1sy9 s THR 117 CO 0.02 -0.68 2.08 0.44 -0.54 0.00 0.00 174.62 175.95 1sy9 h ASP 118 N -0.32 0.00 -0.14 3.99 3.32 -2.01 -0.97 116.42 120.28 1sy9 h ASP 118 Ca -0.45 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.45 1sy9 h ASP 118 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1sy9 h ASP 118 CO 0.62 0.11 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.49 1sy9 h GLU 119 N 0.00 0.69 -0.46 3.56 5.08 -2.00 -1.91 114.58 119.55 1sy9 h GLU 119 Ca -0.00 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 1sy9 h GLU 119 Cb 0.25 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1sy9 h GLU 119 CO 0.01 0.98 -0.01 0.93 -1.00 0.00 0.00 179.01 179.93 1sy9 h GLU 120 N 0.56 0.75 -0.38 2.33 5.08 -1.56 -2.55 114.58 118.81 1sy9 h GLU 120 Ca 0.04 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 1sy9 h GLU 120 Cb 0.97 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1sy9 h GLU 120 CO 0.09 0.77 -0.36 0.28 -1.00 0.00 0.00 179.01 178.79 1sy9 h VAL 121 N 0.71 1.27 -0.99 3.13 2.07 -1.19 -3.10 116.25 118.15 1sy9 h VAL 121 Ca 0.14 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.14 1sy9 h VAL 121 Cb 0.44 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1sy9 h VAL 121 CO 0.02 0.51 0.66 -0.78 0.02 0.00 0.00 177.57 178.00 1sy9 h ASP 122 N 0.74 1.14 -0.91 0.57 1.82 -1.00 -2.27 116.42 116.51 1sy9 h ASP 122 Ca 0.07 -0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1sy9 h ASP 122 Cb 0.94 -0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.62 1sy9 h ASP 122 CO 0.09 0.82 0.61 -0.08 -1.61 0.00 0.00 179.24 179.07 1sy9 h GLU 123 N 1.34 1.20 -0.79 0.28 4.81 -1.39 -1.41 114.58 118.62 1sy9 h GLU 123 Ca 0.36 -0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.64 1sy9 h GLU 123 Cb -0.15 -0.27 -0.06 0.00 0.63 0.00 0.00 28.75 28.90 1sy9 h GLU 123 CO -0.08 0.80 0.52 0.52 -0.73 0.00 0.00 179.01 180.04 1sy9 h MET 124 N 1.24 0.58 -0.54 1.92 2.86 -1.40 0.40 114.93 119.99 1sy9 h MET 124 Ca 0.33 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.84 1sy9 h MET 124 Cb -0.14 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.36 1sy9 h MET 124 CO -0.07 0.39 -0.07 0.82 1.06 0.00 0.00 176.91 179.04 1sy9 h ILE 125 N 0.60 1.26 -1.01 -1.22 1.08 -1.23 -3.10 117.51 113.90 1sy9 h ILE 125 Ca 0.38 -1.20 0.01 0.00 -0.39 0.00 0.00 64.86 63.67 1sy9 h ILE 125 Cb 0.65 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 35.26 1sy9 h ILE 125 CO -0.15 0.42 0.67 -0.09 -0.69 0.00 0.00 178.15 178.31 1sy9 h ARG 126 N 0.88 1.33 -0.85 2.37 2.43 -0.64 0.28 114.38 120.17 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 0.61 -0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1sy9 h ARG 126 CO 0.04 0.88 0.56 0.93 -1.51 0.00 0.00 179.97 180.87 1sy9 h GLU 127 N 1.37 1.13 -0.40 0.20 5.08 -1.42 -2.58 114.58 117.96 1sy9 h GLU 127 Ca 0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1sy9 h GLU 127 Cb -0.16 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.84 1sy9 h GLU 127 CO -0.08 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 1sy9 n ALA 128 N -2.41 2.37 -3.88 3.43 0.00 -0.96 -4.75 120.51 114.32 1sy9 n ALA 128 Ca 0.10 -1.04 -0.29 0.00 0.00 0.00 0.00 53.44 52.21 1sy9 n ALA 128 Cb 0.03 -0.74 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 1sy9 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sy9 s ASP 129 N -1.24 4.93 0.17 0.00 2.15 0.93 -4.69 116.67 118.92 1sy9 s ASP 129 Ca 0.35 -3.78 -0.09 0.00 0.43 0.00 0.00 52.55 49.45 1sy9 s ASP 129 Cb 0.20 -1.67 0.05 0.00 -0.30 0.00 0.00 42.92 41.20 1sy9 s ASP 129 CO 0.27 -0.11 1.61 0.40 -0.17 0.00 0.00 175.17 177.18 1sy9 h ILE 130 N 4.45 1.27 -0.94 4.11 2.04 -1.86 -3.06 117.51 123.51 1sy9 h ILE 130 Ca 0.13 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.78 1sy9 h ILE 130 Cb 0.77 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1sy9 h ILE 130 CO 0.73 0.44 0.62 -2.24 0.00 0.00 0.00 178.15 177.70 1sy9 h ASP 131 N 0.95 1.08 0.00 1.72 3.04 -1.95 -3.47 116.42 117.78 1sy9 h ASP 131 Ca 0.16 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.92 1sy9 h ASP 131 Cb 0.63 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 1sy9 h ASP 131 CO 0.04 0.77 0.00 0.61 -2.04 0.00 0.00 179.24 178.63 1sy9 n GLY 132 N -1.39 0.84 0.22 7.15 0.00 -1.16 -4.96 105.19 105.89 1sy9 n GLY 132 Ca 0.11 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1sy9 n GLY 132 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sy9 h ASP 133 N 0.00 0.00 0.00 1.61 2.03 -1.90 -3.47 116.42 114.69 1sy9 h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1sy9 h ASP 133 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1sy9 h ASP 133 CO 0.00 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 1sy9 n GLY 134 N 1.10 0.85 2.95 7.15 0.00 -1.26 -5.07 105.19 110.91 1sy9 n GLY 134 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.84 1.05 -0.43 1.61 -0.21 -1.26 -4.75 119.66 114.83 1sy9 s GLN 135 Ca 0.00 -0.22 -0.20 0.00 0.02 0.00 0.00 55.36 54.96 1sy9 s GLN 135 Cb 0.00 -0.97 0.02 0.00 1.00 0.00 0.00 33.01 33.07 1sy9 s GLN 135 CO 0.00 -0.01 0.62 0.08 -2.12 0.00 0.00 175.29 173.86 1sy9 s VAL 136 N 0.67 4.86 0.90 1.09 1.01 -1.25 -4.90 120.40 122.79 1sy9 s VAL 136 Ca -0.11 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 1sy9 s VAL 136 Cb -0.13 -4.18 0.19 0.00 0.00 0.00 0.00 36.38 32.26 1sy9 s VAL 136 CO 0.01 -0.56 1.23 0.20 0.00 0.00 0.00 175.10 175.99 1sy9 s ASN 137 N 1.97 3.41 0.16 3.32 0.01 -1.26 -2.48 114.94 120.05 1sy9 s ASN 137 Ca 0.21 0.02 -0.15 0.00 -0.71 0.00 0.00 52.86 52.23 1sy9 s ASN 137 Cb -0.14 -0.13 0.03 0.00 0.41 0.00 0.00 41.25 41.42 1sy9 s ASN 137 CO 0.18 -2.52 1.77 0.22 -1.51 0.00 0.00 177.10 175.24 1sy9 h TYR 138 N -1.33 0.64 -0.85 2.20 5.03 -1.97 -2.25 116.97 118.43 1sy9 h TYR 138 Ca -0.41 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 60.86 1sy9 h TYR 138 Cb 1.24 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 39.27 1sy9 h TYR 138 CO -0.94 0.47 0.46 0.93 -1.32 0.00 0.00 178.16 177.75 1sy9 h GLU 139 N 0.63 1.20 -0.74 1.82 4.39 -1.93 -2.46 114.58 117.48 1sy9 h GLU 139 Ca 0.17 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1sy9 h GLU 139 Cb 0.03 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 1sy9 h GLU 139 CO -0.03 0.89 0.24 0.93 -1.16 0.00 0.00 179.01 179.88 1sy9 h GLU 140 N 1.20 1.14 -0.04 2.33 5.08 -1.82 -2.72 114.58 119.74 1sy9 h GLU 140 Ca 0.30 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1sy9 h GLU 140 Cb 0.05 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1sy9 h GLU 140 CO -0.05 0.96 0.03 0.35 -1.00 0.00 0.00 179.01 179.30 1sy9 h PHE 141 N 1.09 0.05 -0.81 4.33 3.57 -0.96 -2.51 116.94 121.70 1sy9 h PHE 141 Ca 0.24 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1sy9 h PHE 141 Cb 0.29 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1sy9 h PHE 141 CO 0.02 0.03 0.47 0.28 -2.23 0.00 0.00 178.31 176.89 1sy9 h VAL 142 N 0.06 1.23 -0.99 1.41 2.07 -1.34 -2.54 116.25 116.15 1sy9 h VAL 142 Ca 0.02 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1sy9 h VAL 142 Cb -0.01 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.84 1sy9 h VAL 142 CO -0.00 0.25 0.66 -0.61 0.02 0.00 0.00 177.57 177.88 1sy9 h GLN 143 N 1.11 1.30 -0.79 1.57 4.15 -1.29 -1.56 115.11 119.60 1sy9 h GLN 143 Ca 0.29 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1sy9 h GLN 143 Cb -0.01 -0.29 -0.04 0.00 0.21 0.00 0.00 27.48 27.34 1sy9 h GLN 143 CO -0.05 0.86 0.51 1.98 -1.93 0.00 0.00 178.83 180.20 1sy9 h MET 144 N 1.34 1.05 -0.38 1.69 4.05 -1.03 0.34 114.93 121.99 1sy9 h MET 144 Ca 0.36 -0.07 -0.16 0.00 -0.28 0.00 0.00 59.70 59.55 1sy9 h MET 144 Cb -0.16 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.41 1sy9 h MET 144 CO -0.08 0.71 -0.40 0.52 0.23 0.00 0.00 176.91 177.89 1sy9 h MET 145 N 1.08 0.94 -0.62 0.39 2.86 -1.17 -3.05 114.93 115.35 1sy9 h MET 145 Ca 0.29 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1sy9 h MET 145 Cb -0.10 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1sy9 h MET 145 CO -0.06 1.16 0.00 -2.37 1.06 0.00 0.00 176.91 176.70 1sy9 n THR 146 N -4.06 2.42 -0.35 2.22 5.66 -0.64 -4.44 114.28 115.10 1sy9 n THR 146 Ca -0.02 -1.26 -0.03 0.00 -3.05 0.00 0.00 64.05 59.69 1sy9 n THR 146 Cb 0.56 -0.24 0.10 0.00 -1.55 0.00 0.00 70.33 69.19 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 3.88 1.20 -0.02 1.79 0.00 -0.21 -3.49 119.26 122.42 1sy9 h ALA 147 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sy9 h ALA 147 Cb 1.80 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1sy9 h ALA 147 CO 0.42 0.67 0.00 1.63 0.00 0.00 0.00 179.25 181.97