#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 0.64 -1.01 0.00 3.32 -2.03 -3.01 116.42 114.33 1sy9 h ASP 2 Ca 0.00 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1sy9 h ASP 2 Cb 0.00 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 1sy9 h ASP 2 CO 0.00 0.87 0.67 1.56 -1.72 0.00 0.00 179.24 180.62 1sy9 h GLN 3 N 0.55 1.32 0.00 3.56 4.20 -2.10 -3.43 115.11 119.20 1sy9 h GLN 3 Ca 0.07 -0.08 -0.42 0.00 0.06 0.00 0.00 58.65 58.28 1sy9 h GLN 3 Cb 0.73 -0.30 0.10 0.00 0.30 0.00 0.00 27.48 28.30 1sy9 h GLN 3 CO 0.06 0.88 0.17 1.28 -0.67 0.00 0.00 178.83 180.55 1sy9 n LEU 4 N -4.38 0.00 -1.35 1.46 4.77 -1.14 -5.01 117.00 111.36 1sy9 n LEU 4 Ca 0.12 -1.80 -0.03 0.00 -0.03 0.00 0.00 56.01 54.27 1sy9 n LEU 4 Cb 0.01 -0.68 0.23 0.00 -2.33 0.00 0.00 43.42 40.66 1sy9 n LEU 4 CO 0.37 -1.05 0.83 0.41 -1.33 0.00 0.00 177.39 176.61 1sy9 n THR 5 N -2.97 2.62 0.14 -5.08 -1.04 -1.26 -4.69 114.28 101.99 1sy9 n THR 5 Ca 0.15 -2.21 0.07 0.00 -2.04 0.00 0.00 64.05 60.03 1sy9 n THR 5 Cb 0.54 -0.33 0.39 0.00 -1.82 0.00 0.00 70.33 69.11 1sy9 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sy9 n GLU 6 N -0.78 0.09 -0.23 -2.82 1.02 -1.26 -1.74 120.64 114.92 1sy9 n GLU 6 Ca 0.34 0.57 -0.08 0.00 -0.02 0.00 0.00 57.16 57.97 1sy9 n GLU 6 Cb 1.13 -1.98 0.03 0.00 -0.02 0.00 0.00 31.44 30.60 1sy9 n GLU 6 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1sy9 h GLU 7 N 0.00 1.02 -0.49 3.49 4.11 -1.87 -2.59 114.58 118.25 1sy9 h GLU 7 Ca 0.00 -0.24 -0.05 0.00 0.07 0.00 0.00 59.36 59.14 1sy9 h GLU 7 Cb 0.34 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1sy9 h GLU 7 CO 0.00 0.92 0.10 1.96 0.07 0.00 0.00 179.01 182.05 1sy9 h GLN 8 N 0.94 0.76 -0.28 1.06 4.20 -1.74 -2.49 115.11 117.55 1sy9 h GLN 8 Ca 0.20 -0.16 0.08 0.00 0.06 0.00 0.00 58.65 58.83 1sy9 h GLN 8 Cb 0.35 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1sy9 h GLN 8 CO 0.00 0.71 0.21 0.82 -0.67 0.00 0.00 178.83 179.89 1sy9 h ILE 9 N 0.73 0.82 -0.73 2.54 2.04 -1.57 -1.24 117.51 120.11 1sy9 h ILE 9 Ca 0.16 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 1sy9 h ILE 9 Cb 0.31 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1sy9 h ILE 9 CO 0.00 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.38 1sy9 h ALA 10 N 1.85 1.03 -0.74 1.87 0.00 -1.41 -2.77 119.26 119.08 1sy9 h ALA 10 Ca 0.13 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sy9 h ALA 10 Cb 0.54 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1sy9 h ALA 10 CO -0.00 0.65 0.49 0.93 0.00 0.00 0.00 179.25 181.32 1sy9 h GLU 11 N 1.08 0.98 0.00 0.00 5.08 -1.34 -0.99 114.58 119.39 1sy9 h GLU 11 Ca 0.23 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1sy9 h GLU 11 Cb 0.30 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1sy9 h GLU 11 CO -0.01 0.65 -0.01 0.74 -1.00 0.00 0.00 179.01 179.38 1sy9 h PHE 12 N 1.01 0.00 -0.56 4.33 0.04 -1.46 -2.23 116.94 118.07 1sy9 h PHE 12 Ca 0.27 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.93 1sy9 h PHE 12 Cb -0.11 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 1sy9 h PHE 12 CO -0.02 0.01 -0.07 0.87 -0.60 0.00 0.00 178.31 178.50 1sy9 h LYS 13 N 0.00 1.04 0.67 1.51 1.79 -1.01 -2.35 116.57 118.21 1sy9 h LYS 13 Ca -0.00 -0.37 -0.03 0.00 -2.18 0.00 0.00 60.65 58.07 1sy9 h LYS 13 Cb 0.18 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1sy9 h LYS 13 CO 0.00 1.06 -0.32 0.93 -1.08 0.00 0.00 179.45 180.04 1sy9 h GLU 14 N 0.92 -0.86 0.00 3.15 5.08 -1.42 -3.18 114.58 118.27 1sy9 h GLU 14 Ca 0.15 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1sy9 h GLU 14 Cb 0.64 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1sy9 h GLU 14 CO 0.04 -0.54 -0.06 0.00 -1.00 0.00 0.00 179.01 177.45 1sy9 h ALA 15 N -0.94 1.59 -0.24 3.43 0.00 -1.59 -3.09 119.26 118.42 1sy9 h ALA 15 Ca -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sy9 h ALA 15 Cb 0.72 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1sy9 h ALA 15 CO 0.15 0.08 0.09 0.35 0.00 0.00 0.00 179.25 179.93 1sy9 h PHE 16 N 0.00 0.17 -0.62 0.00 3.04 -1.39 -1.09 116.94 117.05 1sy9 h PHE 16 Ca -0.00 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1sy9 h PHE 16 Cb 0.14 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 1sy9 h PHE 16 CO 0.00 0.09 0.27 0.66 -2.02 0.00 0.00 178.31 177.31 1sy9 h SER 17 N 0.21 0.81 -1.00 0.41 4.64 -1.63 -0.28 113.55 116.71 1sy9 h SER 17 Ca 0.10 -0.10 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1sy9 h SER 17 Cb 0.06 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 61.89 1sy9 h SER 17 CO -0.09 0.71 0.66 0.25 -0.87 0.00 0.00 176.83 177.49 1sy9 h LEU 18 N 0.88 1.16 -0.22 5.97 5.85 -1.42 -2.54 115.31 124.98 1sy9 h LEU 18 Ca 0.21 -0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.68 1sy9 h LEU 18 Cb 0.14 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1sy9 h LEU 18 CO -0.02 0.84 -0.87 -0.26 -0.34 0.00 0.00 178.44 177.79 1sy9 h PHE 19 N 1.36 0.72 -2.96 1.25 0.04 -0.47 -3.40 116.94 113.48 1sy9 h PHE 19 Ca 0.37 -0.36 -0.71 0.00 2.80 0.00 0.00 57.97 60.07 1sy9 h PHE 19 Cb -0.15 -0.09 -0.20 0.00 2.20 0.00 0.00 35.95 37.70 1sy9 h PHE 19 CO 0.00 1.16 0.18 0.34 -0.60 0.00 0.00 178.31 179.40 1sy9 s ASP 20 N -7.08 6.30 0.36 2.17 -1.08 -0.18 -4.79 116.67 112.36 1sy9 s ASP 20 Ca -0.07 -1.66 0.09 0.00 -0.52 0.00 0.00 52.55 50.39 1sy9 s ASP 20 Cb 0.09 -2.30 0.70 0.00 -1.46 0.00 0.00 42.92 39.95 1sy9 s ASP 20 CO 0.87 -1.04 1.86 0.11 0.52 0.00 0.00 175.17 177.49 1sy9 h LYS 21 N 8.98 0.22 0.00 4.34 1.79 -1.78 -2.61 116.57 127.51 1sy9 h LYS 21 Ca -0.20 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1sy9 h LYS 21 Cb 1.08 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1sy9 h LYS 21 CO 1.06 0.43 -0.00 -0.25 -1.08 0.00 0.00 179.45 179.61 1sy9 n ASP 22 N -4.20 0.07 -2.03 0.86 8.00 -1.26 -4.89 116.55 113.10 1sy9 n ASP 22 Ca -0.01 0.50 -0.18 0.00 0.71 0.00 0.00 54.79 55.81 1sy9 n ASP 22 Cb 0.33 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 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 1.48 0.47 0.08 0.44 0.00 -0.98 -4.82 105.19 101.86 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 -1.57 0.59 0.00 1.61 5.75 -1.26 -4.93 116.55 116.73 1sy9 n ASP 24 Ca -0.20 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 1sy9 n ASP 24 Cb 0.64 0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 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 1.43 0.64 3.01 6.12 0.00 -1.26 -5.08 105.19 110.06 1sy9 n GLY 25 Ca 0.08 0.00 -0.12 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 -2.05 0.01 -0.27 2.61 -4.23 -1.26 -4.25 115.64 106.21 1sy9 s THR 26 Ca 0.00 -0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.29 1sy9 s THR 26 Cb 0.00 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.58 1sy9 s THR 26 CO 0.00 -0.06 0.16 -0.63 -0.54 0.00 0.00 174.62 173.55 1sy9 s ILE 27 N -0.16 5.18 -0.08 2.99 1.01 -1.01 -4.89 121.20 124.25 1sy9 s ILE 27 Ca -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 1sy9 s ILE 27 Cb -0.02 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1sy9 s ILE 27 CO 0.00 0.29 0.10 -0.89 0.00 0.00 0.00 174.94 174.44 1sy9 s THR 28 N 1.56 5.09 0.56 2.92 2.01 -1.26 -3.13 115.64 123.39 1sy9 s THR 28 Ca 0.07 -0.06 0.47 0.00 0.31 0.00 0.00 61.69 62.48 1sy9 s THR 28 Cb -0.15 -3.25 0.69 0.00 0.01 0.00 0.00 72.50 69.80 1sy9 s THR 28 CO 0.08 0.53 1.62 0.71 -0.69 0.00 0.00 174.62 176.87 1sy9 h THR 29 N 3.71 0.10 0.18 -0.82 1.35 -1.93 0.31 112.91 115.81 1sy9 h THR 29 Ca -0.52 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 1sy9 h THR 29 Cb 1.21 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1sy9 h THR 29 CO 0.60 0.00 -0.08 0.11 -0.25 0.00 0.00 175.52 175.89 1sy9 h LYS 30 N 0.00 -0.23 0.38 4.72 1.57 -2.00 -1.97 116.57 119.04 1sy9 h LYS 30 Ca 0.84 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.62 1sy9 h LYS 30 Cb 3.41 0.05 0.00 0.00 0.08 0.00 0.00 32.23 35.78 1sy9 h LYS 30 CO -0.01 -0.02 -0.18 0.93 -0.57 0.00 0.00 179.45 179.60 1sy9 h GLU 31 N -0.41 -0.49 -0.66 3.15 5.08 -0.77 -2.95 114.58 117.52 1sy9 h GLU 31 Ca -0.02 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1sy9 h GLU 31 Cb 0.32 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1sy9 h GLU 31 CO 0.04 -0.33 0.44 1.25 -1.00 0.00 0.00 179.01 179.41 1sy9 h LEU 32 N -0.51 0.75 -1.90 1.33 5.85 -1.55 -1.59 115.31 117.68 1sy9 h LEU 32 Ca -0.05 -0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.85 1sy9 h LEU 32 Cb 0.39 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1sy9 h LEU 32 CO 0.09 0.54 0.53 1.23 -0.34 0.00 0.00 178.44 180.48 1sy9 h GLY 33 N 0.88 0.17 1.13 3.75 0.00 -1.17 0.42 103.07 108.25 1sy9 h GLY 33 Ca 0.25 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.37 1sy9 h GLY 33 CO -0.06 0.00 -0.40 -0.84 0.00 0.00 0.00 176.54 175.25 1sy9 h THR 34 N 0.09 1.27 0.42 4.70 2.02 -1.29 -1.80 112.91 118.32 1sy9 h THR 34 Ca 0.36 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 1sy9 h THR 34 Cb 1.31 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1sy9 h THR 34 CO -0.04 0.53 -0.20 0.58 0.37 0.00 0.00 175.52 176.76 1sy9 h VAL 35 N 0.75 0.56 -0.19 3.16 2.07 -0.99 -2.70 116.25 118.91 1sy9 h VAL 35 Ca 0.06 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1sy9 h VAL 35 Cb 1.00 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1sy9 h VAL 35 CO 0.10 0.06 0.13 0.24 0.02 0.00 0.00 177.57 178.12 1sy9 h MET 36 N -0.77 0.06 -0.00 1.57 2.86 -1.50 -1.49 114.93 115.65 1sy9 h MET 36 Ca -0.06 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sy9 h MET 36 Cb 0.53 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1sy9 h MET 36 CO 0.09 0.04 -0.00 -0.09 1.06 0.00 0.00 176.91 178.01 1sy9 h ARG 37 N 0.06 -0.01 0.00 1.72 1.12 -0.85 -0.05 114.38 116.37 1sy9 h ARG 37 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.96 1sy9 h ARG 37 Cb 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 1sy9 h ARG 37 CO -0.01 -0.00 0.00 1.03 -3.11 0.00 0.00 179.97 177.88 1sy9 h SER 38 N -0.01 0.00 1.36 -3.80 0.87 -1.03 -2.78 113.55 108.17 1sy9 h SER 38 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1sy9 h SER 38 Cb 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1sy9 h SER 38 CO -0.01 0.00 -0.65 -0.07 -0.53 0.00 0.00 176.83 175.57 1sy9 h LEU 39 N 0.00 0.00 0.00 2.23 3.38 -0.33 -3.47 115.31 117.12 1sy9 h LEU 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sy9 h LEU 39 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1sy9 h LEU 39 CO 0.00 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1sy9 n GLY 40 N 1.20 0.58 3.44 0.83 0.00 -0.17 -4.92 105.19 106.14 1sy9 n GLY 40 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 1.19 -0.35 1.61 0.74 -0.39 -4.93 119.66 117.53 1sy9 s GLN 41 Ca 0.00 -0.43 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 1sy9 s GLN 41 Cb 0.00 0.55 0.08 0.00 1.10 0.00 0.00 33.01 34.74 1sy9 s GLN 41 CO 0.00 -0.52 0.09 1.21 -0.55 0.00 0.00 175.29 175.52 1sy9 s ASN 42 N -2.69 5.04 0.00 6.67 3.04 -1.26 -2.23 114.94 123.50 1sy9 s ASN 42 Ca 0.02 -1.65 0.00 0.00 0.04 0.00 0.00 52.86 51.27 1sy9 s ASN 42 Cb -0.01 -1.76 0.00 0.00 -1.54 0.00 0.00 41.25 37.94 1sy9 s ASN 42 CO -0.12 -0.39 0.00 -0.81 -3.04 0.00 0.00 177.10 172.74 1sy9 n PRO 43 N 4.58 2.11 -4.13 0.43 -0.04 -1.26 -5.01 135.00 131.68 1sy9 n PRO 43 Ca -0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 1sy9 n PRO 43 Cb 0.42 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.41 0.64 0.52 2.01 -1.26 -5.00 115.64 112.96 1sy9 s THR 44 Ca 0.00 -1.87 0.30 0.00 0.31 0.00 0.00 61.69 60.43 1sy9 s THR 44 Cb 0.00 -1.64 0.33 0.00 0.01 0.00 0.00 72.50 71.20 1sy9 s THR 44 CO 0.00 -0.90 1.95 -0.33 -0.69 0.00 0.00 174.62 174.66 1sy9 h GLU 45 N 3.04 0.00 0.47 4.92 4.39 -1.96 0.66 114.58 126.10 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 29.81 1sy9 h GLU 45 CO 0.65 0.00 -0.23 0.00 -1.16 0.00 0.00 179.01 178.27 1sy9 h ALA 46 N 1.44 -0.63 -0.48 3.43 0.00 -2.00 -1.88 119.26 119.15 1sy9 h ALA 46 Ca 0.06 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1sy9 h ALA 46 Cb 0.74 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1sy9 h ALA 46 CO -0.00 -0.60 -0.15 0.93 0.00 0.00 0.00 179.25 179.43 1sy9 h GLU 47 N -1.13 0.91 -0.41 0.00 4.39 -1.73 -2.55 114.58 114.06 1sy9 h GLU 47 Ca -0.06 -0.34 0.04 0.00 0.34 0.00 0.00 59.36 59.33 1sy9 h GLU 47 Cb 0.52 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1sy9 h GLU 47 CO 0.11 0.99 0.27 -0.07 -1.16 0.00 0.00 179.01 179.15 1sy9 h LEU 48 N 0.80 0.35 -0.72 1.33 3.38 0.22 -1.73 115.31 118.94 1sy9 h LEU 48 Ca 0.12 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1sy9 h LEU 48 Cb 0.68 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1sy9 h LEU 48 CO 0.05 0.24 0.18 -0.61 0.09 0.00 0.00 178.44 178.39 1sy9 h GLN 49 N 0.41 1.15 -0.70 1.13 4.15 -0.89 -2.78 115.11 117.57 1sy9 h GLN 49 Ca 0.17 -0.28 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 1sy9 h GLN 49 Cb 0.17 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1sy9 h GLN 49 CO -0.04 1.01 0.15 0.22 -1.93 0.00 0.00 178.83 178.24 1sy9 h ASP 50 N 1.09 1.08 -0.61 -0.69 1.82 -1.29 -1.92 116.42 115.91 1sy9 h ASP 50 Ca 0.23 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1sy9 h ASP 50 Cb 0.37 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1sy9 h ASP 50 CO 0.00 1.05 0.35 0.24 -1.61 0.00 0.00 179.24 179.27 1sy9 h MET 51 N 1.07 0.84 -0.36 0.28 2.86 -1.32 -2.50 114.93 115.81 1sy9 h MET 51 Ca 0.22 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 1sy9 h MET 51 Cb 0.40 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1sy9 h MET 51 CO 0.01 0.63 -0.18 0.82 1.06 0.00 0.00 176.91 179.25 1sy9 h ILE 52 N 0.83 1.26 -0.81 -1.22 1.08 -1.31 -3.06 117.51 114.27 1sy9 h ILE 52 Ca 0.22 -1.22 0.01 0.00 -0.39 0.00 0.00 64.86 63.48 1sy9 h ILE 52 Cb 0.02 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 1sy9 h ILE 52 CO -0.04 0.40 0.54 -1.13 -0.69 0.00 0.00 178.15 177.23 1sy9 h ASN 53 N 0.59 0.93 0.61 1.72 -0.00 -0.90 0.54 115.58 119.07 1sy9 h ASN 53 Ca 0.09 -0.02 -0.08 0.00 -0.00 0.00 0.00 56.30 56.29 1sy9 h ASN 53 Cb 0.63 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 1sy9 h ASN 53 CO 0.04 0.68 -0.38 -0.08 -0.00 0.00 0.00 177.43 177.69 1sy9 h GLU 54 N 1.10 0.00 0.00 6.67 4.81 -1.45 -3.13 114.58 122.58 1sy9 h GLU 54 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1sy9 h GLU 54 Cb -0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1sy9 h GLU 54 CO -0.06 0.38 -0.96 0.28 -0.73 0.00 0.00 179.01 177.91 1sy9 n VAL 55 N -3.75 0.00 -2.13 0.32 0.31 -0.80 -4.85 118.33 107.43 1sy9 n VAL 55 Ca -0.01 -0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.96 1sy9 n VAL 55 Cb 0.46 0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 34.29 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 -3.00 5.41 0.21 4.52 1.01 0.18 -4.80 116.67 120.19 1sy9 s ASP 56 Ca 0.08 -0.11 -0.04 0.00 0.71 0.00 0.00 52.55 53.19 1sy9 s ASP 56 Cb 0.16 -2.54 0.17 0.00 1.01 0.00 0.00 42.92 41.72 1sy9 s ASP 56 CO 0.86 -2.36 1.61 0.00 0.21 0.00 0.00 175.17 175.48 1sy9 h ALA 57 N 13.16 0.85 0.00 5.23 0.00 -1.88 -3.14 119.26 133.48 1sy9 h ALA 57 Ca -0.15 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 1sy9 h ALA 57 Cb 1.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1sy9 h ALA 57 CO 1.23 0.64 -1.53 -0.40 0.00 0.00 0.00 179.25 179.19 1sy9 n ASP 58 N -4.09 0.83 0.00 0.00 5.75 -1.26 -4.98 116.55 112.80 1sy9 n ASP 58 Ca -0.00 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1sy9 n ASP 58 Cb 0.46 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 1.45 0.71 0.12 6.12 0.00 -1.19 -4.96 105.19 107.43 1sy9 n GLY 59 Ca -0.12 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.00 1.61 -1.07 -1.93 -3.47 115.58 110.71 1sy9 h ASN 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1sy9 h ASN 60 Cb 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.27 1sy9 h ASN 60 CO 0.00 0.70 0.00 0.61 0.07 0.00 0.00 177.43 178.81 1sy9 n GLY 61 N 0.80 0.96 3.30 9.14 0.00 -1.26 -5.11 105.19 113.01 1sy9 n GLY 61 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1sy9 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sy9 s THR 62 N -2.00 0.66 -0.26 2.61 -4.23 -1.26 -4.86 115.64 106.30 1sy9 s THR 62 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1sy9 s THR 62 Cb 0.00 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1sy9 s THR 62 CO 0.00 -0.18 0.12 -0.63 -0.54 0.00 0.00 174.62 173.39 1sy9 s ILE 63 N -3.68 4.74 0.42 2.99 1.01 -1.18 -4.73 121.20 120.76 1sy9 s ILE 63 Ca 0.32 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.99 1sy9 s ILE 63 Cb 0.07 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1sy9 s ILE 63 CO 0.10 0.30 0.59 -1.81 0.00 0.00 0.00 174.94 174.12 1sy9 s ASP 64 N 1.68 5.72 0.22 3.58 1.01 -1.26 -2.40 116.67 125.21 1sy9 s ASP 64 Ca 0.07 -0.16 -0.11 0.00 0.71 0.00 0.00 52.55 53.06 1sy9 s ASP 64 Cb -0.15 -1.02 0.30 0.00 1.01 0.00 0.00 42.92 43.06 1sy9 s ASP 64 CO 0.07 -0.71 1.65 0.15 0.21 0.00 0.00 175.17 176.53 1sy9 h PHE 65 N 0.58 -0.13 -0.25 4.23 3.04 -1.99 0.11 116.94 122.53 1sy9 h PHE 65 Ca -0.43 0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.48 1sy9 h PHE 65 Cb 1.27 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.92 1sy9 h PHE 65 CO 0.41 -0.21 -0.23 -1.00 -2.02 0.00 0.00 178.31 175.26 1sy9 h PRO 66 N 0.08 0.46 -0.25 6.41 0.13 -1.96 -2.87 132.00 134.00 1sy9 h PRO 66 Ca 0.33 -0.17 -0.20 0.00 -0.87 0.00 0.00 66.00 65.10 1sy9 h PRO 66 Cb 0.54 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1sy9 h PRO 66 CO -0.59 0.67 -0.61 0.93 -0.23 0.00 0.00 178.00 178.17 1sy9 h GLU 67 N 0.41 0.86 -0.83 0.86 5.08 -1.48 -3.07 114.58 116.41 1sy9 h GLU 67 Ca 0.06 -0.59 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 1sy9 h GLU 67 Cb 0.64 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1sy9 h GLU 67 CO 0.05 1.21 0.40 0.35 -1.00 0.00 0.00 179.01 180.02 1sy9 h PHE 68 N 0.64 1.19 -0.40 4.33 3.57 -0.74 -2.87 116.94 122.65 1sy9 h PHE 68 Ca -0.00 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.28 1sy9 h PHE 68 Cb 1.23 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1sy9 h PHE 68 CO 0.08 0.86 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.57 1sy9 h LEU 69 N 1.17 1.01 -0.93 0.59 4.07 -1.55 -2.97 115.31 116.70 1sy9 h LEU 69 Ca 0.28 -0.46 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 1sy9 h LEU 69 Cb 0.11 -0.29 -0.04 0.00 1.08 0.00 0.00 40.66 41.52 1sy9 h LEU 69 CO -0.04 1.26 0.54 0.71 -1.08 0.00 0.00 178.44 179.83 1sy9 h THR 70 N 0.78 1.26 0.13 0.22 1.35 -1.43 -2.58 112.91 112.64 1sy9 h THR 70 Ca 0.07 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1sy9 h THR 70 Cb 0.97 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1sy9 h THR 70 CO 0.09 0.28 -0.06 -0.03 -0.25 0.00 0.00 175.52 175.55 1sy9 h MET 71 N 1.29 -0.17 -0.03 4.72 1.85 -1.48 -2.67 114.93 118.45 1sy9 h MET 71 Ca 0.33 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.43 1sy9 h MET 71 Cb -0.02 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.05 1sy9 h MET 71 CO -0.06 0.19 0.02 1.98 -0.40 0.00 0.00 176.91 178.64 1sy9 h MET 72 N -0.55 0.04 -0.61 0.39 -1.53 -1.50 0.50 114.93 111.67 1sy9 h MET 72 Ca -0.02 -0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1sy9 h MET 72 Cb 0.43 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.44 1sy9 h MET 72 CO 0.03 0.03 0.40 0.00 0.14 0.00 0.00 176.91 177.51 1sy9 h ALA 73 N 1.01 1.57 0.05 0.39 0.00 -1.56 -0.76 119.26 119.97 1sy9 h ALA 73 Ca 0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1sy9 h ALA 73 Cb -0.00 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.56 1sy9 h ALA 73 CO -0.00 0.40 -0.77 -0.09 0.00 0.00 0.00 179.25 178.79 1sy9 h ARG 74 N 0.82 0.42 -0.18 0.00 9.65 -1.13 -3.25 114.38 120.73 1sy9 h ARG 74 Ca 0.22 -0.53 -0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1sy9 h ARG 74 Cb -0.09 0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1sy9 h ARG 74 CO -0.05 1.19 0.11 -0.22 2.80 0.00 0.00 179.97 183.80 1sy9 h LYS 75 N -0.10 0.24 -0.62 0.20 1.63 0.40 -2.11 116.57 116.21 1sy9 h LYS 75 Ca -0.11 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1sy9 h LYS 75 Cb 1.50 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 33.05 1sy9 h LYS 75 CO 0.15 0.21 0.41 0.00 -3.45 0.00 0.00 179.45 176.77 1sy9 h MET 76 N 0.21 0.81 -0.35 1.90 -0.00 -1.28 0.21 114.93 116.43 1sy9 h MET 76 Ca 0.06 -0.05 -0.09 0.00 -0.00 0.00 0.00 59.70 59.62 1sy9 h MET 76 Cb 0.03 -0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 31.44 1sy9 h MET 76 CO -0.01 0.54 -0.15 0.87 -0.00 0.00 0.00 176.91 178.15 1sy9 h LYS 77 N 0.84 0.72 -0.04 -0.10 1.79 -1.53 -2.75 116.57 115.49 1sy9 h LYS 77 Ca 0.23 -0.31 -0.09 0.00 -2.18 0.00 0.00 60.65 58.30 1sy9 h LYS 77 Cb -0.09 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1sy9 h LYS 77 CO -0.05 0.91 -0.40 0.22 -1.08 0.00 0.00 179.45 179.04 1sy9 h ASP 78 N 0.50 0.10 -4.47 0.86 1.82 -0.79 -3.44 116.42 110.99 1sy9 h ASP 78 Ca 0.08 -0.04 -0.20 0.00 -0.39 0.00 0.00 57.03 56.48 1sy9 h ASP 78 Cb 0.68 -0.03 0.03 0.00 0.68 0.00 0.00 39.33 40.70 1sy9 h ASP 78 CO 0.05 0.49 0.03 0.41 -1.61 0.00 0.00 179.24 178.61 1sy9 n THR 79 N -4.04 0.00 -5.11 2.25 -1.04 0.69 -5.10 114.28 101.92 1sy9 n THR 79 Ca -0.02 -0.71 -0.30 0.00 -2.04 0.00 0.00 64.05 60.98 1sy9 n THR 79 Cb 0.45 -1.07 -0.15 0.00 -1.82 0.00 0.00 70.33 67.74 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 -2.67 2.98 0.53 8.00 1.01 -1.26 -4.87 116.67 120.39 1sy9 s ASP 80 Ca 0.27 -0.50 0.17 0.00 0.71 0.00 0.00 52.55 53.21 1sy9 s ASP 80 Cb -0.02 -0.31 1.32 0.00 1.01 0.00 0.00 42.92 44.92 1sy9 s ASP 80 CO 0.18 0.28 2.16 -1.28 0.21 0.00 0.00 175.17 176.72 1sy9 h SER 81 N 5.25 0.00 -0.74 0.27 0.87 -1.98 -0.89 113.55 116.34 1sy9 h SER 81 Ca -0.44 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.13 1sy9 h SER 81 Cb 1.13 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.05 1sy9 h SER 81 CO 0.46 0.00 0.49 -0.33 -0.53 0.00 0.00 176.83 176.92 1sy9 h GLU 82 N 0.00 0.98 -0.37 2.24 5.08 -2.00 -1.53 114.58 118.98 1sy9 h GLU 82 Ca -0.00 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1sy9 h GLU 82 Cb 0.01 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1sy9 h GLU 82 CO 0.00 0.65 -0.42 0.93 -1.00 0.00 0.00 179.01 179.17 1sy9 h GLU 83 N 1.01 0.94 -0.73 2.33 5.08 -1.58 -2.89 114.58 118.73 1sy9 h GLU 83 Ca 0.27 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 1sy9 h GLU 83 Cb -0.12 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1sy9 h GLU 83 CO -0.06 1.17 0.22 0.93 -1.00 0.00 0.00 179.01 180.26 1sy9 h GLU 84 N 0.75 1.14 -0.03 2.33 5.08 -1.18 -2.78 114.58 119.90 1sy9 h GLU 84 Ca 0.05 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1sy9 h GLU 84 Cb 1.02 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1sy9 h GLU 84 CO 0.10 0.98 0.01 0.82 -1.00 0.00 0.00 179.01 179.92 1sy9 h ILE 85 N 1.09 1.12 -1.00 3.13 2.04 -1.26 -2.28 117.51 120.34 1sy9 h ILE 85 Ca 0.24 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1sy9 h ILE 85 Cb 0.32 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 1sy9 h ILE 85 CO -0.01 0.10 0.65 0.03 0.00 0.00 0.00 178.15 178.92 1sy9 h ARG 86 N -0.10 1.17 -0.37 2.37 3.08 -1.42 -2.17 114.38 116.93 1sy9 h ARG 86 Ca 0.01 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.82 1sy9 h ARG 86 Cb 0.15 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1sy9 h ARG 86 CO -0.00 0.77 -0.41 0.93 -1.07 0.00 0.00 179.97 180.19 1sy9 h GLU 87 N 1.20 0.94 -0.17 0.04 5.08 -1.37 -2.77 114.58 117.53 1sy9 h GLU 87 Ca 0.42 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1sy9 h GLU 87 Cb 0.12 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1sy9 h GLU 87 CO -0.16 1.17 -0.01 0.00 -1.00 0.00 0.00 179.01 179.01 1sy9 h ALA 88 N 0.76 0.23 -0.25 3.43 0.00 -1.07 -2.32 119.26 120.03 1sy9 h ALA 88 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sy9 h ALA 88 Cb 1.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1sy9 h ALA 88 CO 0.10 -0.05 0.17 0.35 0.00 0.00 0.00 179.25 179.81 1sy9 h PHE 89 N 0.04 0.32 -0.64 0.00 3.04 -1.47 -2.16 116.94 116.06 1sy9 h PHE 89 Ca 0.05 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.01 1sy9 h PHE 89 Cb 0.40 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.77 1sy9 h PHE 89 CO 0.04 0.20 0.43 -0.09 -2.02 0.00 0.00 178.31 176.86 1sy9 h ARG 90 N 0.34 0.84 -0.21 1.11 2.43 -1.48 0.75 114.38 118.17 1sy9 h ARG 90 Ca 0.09 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1sy9 h ARG 90 Cb -0.04 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1sy9 h ARG 90 CO -0.02 0.56 -0.03 0.28 -1.51 0.00 0.00 179.97 179.25 1sy9 h VAL 91 N 0.87 1.27 -0.33 0.20 2.07 -0.96 -3.18 116.25 116.19 1sy9 h VAL 91 Ca 0.24 -0.97 -0.16 0.00 0.82 0.00 0.00 66.70 66.63 1sy9 h VAL 91 Cb -0.09 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1sy9 h VAL 91 CO -0.05 0.30 -0.41 -0.26 0.02 0.00 0.00 177.57 177.16 1sy9 h PHE 92 N 0.12 0.98 -0.56 1.57 0.04 -1.01 -3.37 116.94 114.70 1sy9 h PHE 92 Ca 0.05 -0.30 -0.55 0.00 2.80 0.00 0.00 57.97 59.98 1sy9 h PHE 92 Cb 0.46 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.35 1sy9 h PHE 92 CO 0.04 1.08 1.87 -3.47 -0.60 0.00 0.00 178.31 177.24 1sy9 n ASP 93 N -4.04 3.95 -0.05 2.17 -0.08 0.22 -4.68 116.55 114.05 1sy9 n ASP 93 Ca -0.02 -2.81 -0.10 0.00 -1.51 0.00 0.00 54.79 50.35 1sy9 n ASP 93 Cb 0.55 -1.69 -0.03 0.00 2.34 0.00 0.00 41.12 42.29 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 8.27 0.28 0.00 -0.67 3.64 -1.78 -2.45 116.57 123.85 1sy9 h LYS 94 Ca 0.37 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1sy9 h LYS 94 Cb 0.86 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1sy9 h LYS 94 CO 1.45 0.18 0.00 0.38 -2.27 0.00 0.00 179.45 179.19 1sy9 h ASP 95 N 0.29 0.00 -2.31 4.20 2.03 -1.95 -3.47 116.42 115.21 1sy9 h ASP 95 Ca 0.08 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 56.02 1sy9 h ASP 95 Cb -0.03 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.44 1sy9 h ASP 95 CO -0.02 0.00 -0.44 0.61 -1.03 0.00 0.00 179.24 178.36 1sy9 n GLY 96 N 0.94 -0.07 0.00 7.15 0.00 -0.93 -4.86 105.19 107.42 1sy9 n GLY 96 Ca 0.04 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.34 0.00 0.00 1.61 6.94 -1.26 -4.86 115.26 116.34 1sy9 n ASN 97 Ca -0.21 0.38 0.00 0.00 -0.02 0.00 0.00 54.58 54.73 1sy9 n ASN 97 Cb 0.65 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 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 0.57 2.56 3.08 4.83 0.00 -1.26 -5.05 105.19 109.91 1sy9 n GLY 98 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.63 1.19 -0.18 1.61 1.51 -1.26 -4.36 117.35 113.22 1sy9 s TYR 99 Ca 0.00 -0.26 -0.21 0.00 -1.01 0.00 0.00 57.07 55.59 1sy9 s TYR 99 Cb 0.00 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1sy9 s TYR 99 CO 0.00 -0.06 0.63 0.42 -1.11 0.00 0.00 175.55 175.43 1sy9 s ILE 100 N -0.15 5.03 0.66 2.71 1.01 -1.16 -4.93 121.20 124.37 1sy9 s ILE 100 Ca 0.02 1.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.83 1sy9 s ILE 100 Cb -0.07 -3.95 0.06 0.00 0.01 0.00 0.00 42.46 38.52 1sy9 s ILE 100 CO 0.00 0.13 0.94 -0.44 0.00 0.00 0.00 174.94 175.57 1sy9 s SER 101 N 1.13 4.87 0.16 3.58 0.01 -1.26 -4.08 113.70 118.12 1sy9 s SER 101 Ca 0.29 0.20 -0.10 0.00 1.31 0.00 0.00 55.95 57.66 1sy9 s SER 101 Cb -0.16 -0.89 0.02 0.00 0.21 0.00 0.00 66.02 65.20 1sy9 s SER 101 CO 0.11 -1.50 1.56 0.00 0.41 0.00 0.00 173.24 173.82 1sy9 h ALA 102 N -0.39 0.71 -0.67 1.44 0.00 -1.94 -2.51 119.26 115.90 1sy9 h ALA 102 Ca -0.43 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 1sy9 h ALA 102 Cb 1.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1sy9 h ALA 102 CO 0.55 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.69 1sy9 h ALA 103 N 0.89 1.12 -0.62 0.00 0.00 -2.00 -2.55 119.26 116.11 1sy9 h ALA 103 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1sy9 h ALA 103 Cb 0.75 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1sy9 h ALA 103 CO 0.06 0.61 0.04 0.93 0.00 0.00 0.00 179.25 180.88 1sy9 h GLU 104 N 0.98 1.07 -0.43 0.00 5.08 -1.84 -2.83 114.58 116.62 1sy9 h GLU 104 Ca 0.22 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1sy9 h GLU 104 Cb 0.26 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1sy9 h GLU 104 CO -0.01 1.03 0.18 1.25 -1.00 0.00 0.00 179.01 180.45 1sy9 h LEU 105 N 0.98 0.58 -1.88 1.33 7.12 -1.19 -2.52 115.31 119.73 1sy9 h LEU 105 Ca 0.18 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1sy9 h LEU 105 Cb 0.52 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1sy9 h LEU 105 CO 0.02 0.59 0.04 0.03 -0.13 0.00 0.00 178.44 178.99 1sy9 h ARG 106 N 0.55 0.12 -0.00 1.25 3.08 -1.37 -2.73 114.38 115.27 1sy9 h ARG 106 Ca 0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1sy9 h ARG 106 Cb 0.18 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1sy9 h ARG 106 CO -0.01 0.09 0.00 1.25 -1.07 0.00 0.00 179.97 180.23 1sy9 h HIS 107 N 0.12 0.01 0.07 3.04 2.76 -1.20 -2.05 115.15 117.90 1sy9 h HIS 107 Ca 0.03 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1sy9 h HIS 107 Cb 0.01 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1sy9 h HIS 107 CO 0.00 0.01 -0.03 0.28 -1.30 0.00 0.00 177.93 176.89 1sy9 h VAL 108 N -0.00 1.21 -0.78 5.26 2.07 -1.53 -2.54 116.25 119.93 1sy9 h VAL 108 Ca 0.00 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 66.14 1sy9 h VAL 108 Cb 0.01 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 1sy9 h VAL 108 CO -0.00 0.33 0.46 0.24 0.02 0.00 0.00 177.57 178.63 1sy9 h MET 109 N -0.80 0.81 -0.23 1.57 2.07 -1.58 0.32 114.93 117.08 1sy9 h MET 109 Ca -0.01 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.55 1sy9 h MET 109 Cb 0.62 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.16 1sy9 h MET 109 CO 0.02 0.53 0.04 1.15 1.07 0.00 0.00 176.91 179.72 1sy9 h THR 110 N 0.83 1.23 -0.33 2.22 2.02 -1.35 0.24 112.91 117.77 1sy9 h THR 110 Ca 0.35 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1sy9 h THR 110 Cb 0.22 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1sy9 h THR 110 CO -0.19 0.24 0.10 0.78 0.37 0.00 0.00 175.52 176.82 1sy9 h ASN 111 N 0.18 0.42 0.20 4.18 2.35 -0.94 -1.96 115.58 120.01 1sy9 h ASN 111 Ca 0.07 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 1sy9 h ASN 111 Cb 0.32 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1sy9 h ASN 111 CO 0.00 0.41 -0.47 -0.07 -1.65 0.00 0.00 177.43 175.65 1sy9 h LEU 112 N 0.46 0.35 0.00 1.61 3.38 0.05 -3.47 115.31 117.69 1sy9 h LEU 112 Ca 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sy9 h LEU 112 Cb 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1sy9 h LEU 112 CO -0.01 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1sy9 n GLY 113 N 0.00 0.79 2.84 0.83 0.00 -0.48 -4.80 105.19 104.37 1sy9 n GLY 113 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 0.25 -0.06 1.61 2.12 -0.05 -4.96 118.70 117.61 1sy9 s GLU 114 Ca 0.00 0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.35 1sy9 s GLU 114 Cb 0.00 -0.38 -0.03 0.00 0.26 0.00 0.00 34.13 33.97 1sy9 s GLU 114 CO 0.00 -0.08 0.01 0.15 -0.54 0.00 0.00 175.26 174.80 1sy9 s LYS 115 N 0.70 2.96 0.11 4.30 1.02 -1.26 -3.28 119.74 124.29 1sy9 s LYS 115 Ca -0.07 -0.45 -0.23 0.00 0.02 0.00 0.00 55.97 55.24 1sy9 s LYS 115 Cb -0.10 -2.78 0.06 0.00 -0.52 0.00 0.00 37.83 34.49 1sy9 s LYS 115 CO -0.01 0.69 0.58 -0.48 -0.92 0.00 0.00 175.35 175.20 1sy9 s LEU 116 N -1.08 -0.40 0.65 3.17 -0.00 -1.26 -5.10 118.68 114.67 1sy9 s LEU 116 Ca 0.15 0.09 -0.06 0.00 -0.00 0.00 0.00 54.13 54.31 1sy9 s LEU 116 Cb -0.11 2.43 0.04 0.00 -0.00 0.00 0.00 46.19 48.55 1sy9 s LEU 116 CO 0.05 -0.87 0.97 0.42 -0.00 0.00 0.00 176.35 176.91 1sy9 s THR 117 N -3.20 2.91 0.40 5.48 -4.23 -1.26 -4.93 115.64 110.80 1sy9 s THR 117 Ca -0.01 -0.13 0.22 0.00 -1.18 0.00 0.00 61.69 60.59 1sy9 s THR 117 Cb -0.00 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.86 1sy9 s THR 117 CO -0.08 -0.22 2.00 -2.24 -0.54 0.00 0.00 174.62 173.53 1sy9 h ASP 118 N -0.41 0.00 -0.15 3.99 2.03 -1.99 -1.52 116.42 118.37 1sy9 h ASP 118 Ca -0.45 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 55.70 1sy9 h ASP 118 Cb 1.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 1sy9 h ASP 118 CO 0.60 0.18 -0.43 -0.33 -1.03 0.00 0.00 179.24 178.24 1sy9 h GLU 119 N 0.00 0.69 -0.79 4.15 5.08 -2.00 -1.49 114.58 120.23 1sy9 h GLU 119 Ca -0.00 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1sy9 h GLU 119 Cb 0.41 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1sy9 h GLU 119 CO 0.02 0.98 0.30 1.49 -1.00 0.00 0.00 179.01 180.81 1sy9 h GLU 120 N 0.56 1.19 -0.55 2.33 4.81 -1.66 -2.52 114.58 118.75 1sy9 h GLU 120 Ca 0.04 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 58.93 1sy9 h GLU 120 Cb 0.97 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1sy9 h GLU 120 CO 0.09 0.98 -0.11 0.28 -0.73 0.00 0.00 179.01 179.52 1sy9 h VAL 121 N 1.16 1.27 -0.42 0.32 2.07 -1.17 -3.02 116.25 116.46 1sy9 h VAL 121 Ca 0.26 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1sy9 h VAL 121 Cb 0.24 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1sy9 h VAL 121 CO -0.02 0.45 0.28 -0.78 0.02 0.00 0.00 177.57 177.52 1sy9 h ASP 122 N 0.93 0.49 -1.00 0.57 1.82 -0.87 -2.37 116.42 115.98 1sy9 h ASP 122 Ca 0.14 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1sy9 h ASP 122 Cb 0.68 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 40.52 1sy9 h ASP 122 CO 0.05 0.35 0.66 -0.08 -1.61 0.00 0.00 179.24 178.62 1sy9 h GLU 123 N 0.57 1.32 -0.86 0.28 4.81 -1.42 -1.32 114.58 117.95 1sy9 h GLU 123 Ca 0.15 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1sy9 h GLU 123 Cb -0.06 -0.30 -0.06 0.00 0.63 0.00 0.00 28.75 28.96 1sy9 h GLU 123 CO -0.03 0.87 0.56 0.52 -0.73 0.00 0.00 179.01 180.20 1sy9 h MET 124 N 1.35 0.83 -0.58 1.92 2.86 -1.30 0.11 114.93 120.12 1sy9 h MET 124 Ca 0.37 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.88 1sy9 h MET 124 Cb -0.15 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.30 1sy9 h MET 124 CO -0.08 0.55 0.05 0.82 1.06 0.00 0.00 176.91 179.31 1sy9 h ILE 125 N 0.85 1.25 -0.98 -1.22 2.04 -1.05 -2.88 117.51 115.53 1sy9 h ILE 125 Ca 0.39 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 65.27 1sy9 h ILE 125 Cb 0.39 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1sy9 h ILE 125 CO -0.16 0.38 0.64 -0.09 0.00 0.00 0.00 178.15 178.91 1sy9 h ARG 126 N 0.90 1.19 -1.00 2.37 2.43 -0.27 0.76 114.38 120.76 1sy9 h ARG 126 Ca 0.18 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1sy9 h ARG 126 Cb 0.45 -0.27 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1sy9 h ARG 126 CO 0.02 0.78 0.66 0.93 -1.51 0.00 0.00 179.97 180.85 1sy9 h GLU 127 N 1.22 1.32 0.00 0.20 5.08 -1.20 -3.16 114.58 118.04 1sy9 h GLU 127 Ca 0.39 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1sy9 h GLU 127 Cb 0.03 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 28.98 1sy9 h GLU 127 CO -0.13 0.88 -0.69 0.00 -1.00 0.00 0.00 179.01 178.08 1sy9 n ALA 128 N -2.38 3.72 -1.37 3.43 0.00 -1.02 -4.77 120.51 118.11 1sy9 n ALA 128 Ca 0.12 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 1sy9 n ALA 128 Cb 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.35 3.06 -0.16 0.00 2.03 0.26 -4.64 116.55 115.75 1sy9 n ASP 129 Ca 0.02 -2.74 -0.11 0.00 0.52 0.00 0.00 54.79 52.48 1sy9 n ASP 129 Cb 0.22 -1.33 -0.00 0.00 -0.72 0.00 0.00 41.12 39.29 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 4.28 1.27 0.00 5.18 2.04 -1.86 -2.96 117.51 125.46 1sy9 h ILE 130 Ca 0.48 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 1sy9 h ILE 130 Cb 0.65 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1sy9 h ILE 130 CO 1.93 0.48 -0.20 -2.24 0.00 0.00 0.00 178.15 178.12 1sy9 h ASP 131 N 0.87 0.00 0.00 1.72 2.03 -1.95 -3.47 116.42 115.63 1sy9 h ASP 131 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1sy9 h ASP 131 Cb 0.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 1sy9 h ASP 131 CO 0.07 0.20 0.00 0.61 -1.03 0.00 0.00 179.24 179.09 1sy9 n GLY 132 N -0.12 0.59 0.00 7.15 0.00 -1.12 -4.94 105.19 106.74 1sy9 n GLY 132 Ca -0.01 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.34 1sy9 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sy9 n ASP 133 N 1.61 0.13 0.00 1.61 5.75 -1.26 -4.90 116.55 119.48 1sy9 n ASP 133 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1sy9 n ASP 133 Cb 0.19 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 0.84 3.02 6.12 0.00 -1.26 -5.03 105.19 110.38 1sy9 n GLY 134 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.52 0.42 -0.28 1.61 -0.21 -1.26 -4.97 119.66 114.45 1sy9 s GLN 135 Ca 0.00 -0.70 -0.18 0.00 0.02 0.00 0.00 55.36 54.50 1sy9 s GLN 135 Cb 0.00 -0.06 -0.02 0.00 1.00 0.00 0.00 33.01 33.92 1sy9 s GLN 135 CO 0.00 -0.01 0.52 0.08 -2.12 0.00 0.00 175.29 173.76 1sy9 s VAL 136 N -1.52 5.05 0.06 1.09 1.01 -1.26 -4.79 120.40 120.05 1sy9 s VAL 136 Ca -0.12 0.77 -0.00 0.00 0.00 0.00 0.00 61.98 62.62 1sy9 s VAL 136 Cb -0.09 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1sy9 s VAL 136 CO -0.01 0.01 0.08 -0.46 0.00 0.00 0.00 175.10 174.73 1sy9 n ASN 137 N 5.60 0.08 -0.12 3.32 0.23 -1.26 -3.01 115.26 120.10 1sy9 n ASN 137 Ca -0.04 -1.08 -0.13 0.00 -0.53 0.00 0.00 54.58 52.80 1sy9 n ASN 137 Cb 0.50 -0.05 -0.02 0.00 -2.08 0.00 0.00 39.78 38.12 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 -0.53 1.13 -0.22 -2.53 3.20 -1.98 -3.02 116.97 113.03 1sy9 h TYR 138 Ca -0.03 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1sy9 h TYR 138 Cb 0.09 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1sy9 h TYR 138 CO 0.00 1.18 0.14 0.93 -1.64 0.00 0.00 178.16 178.77 1sy9 h GLU 139 N 0.76 0.29 -0.65 1.82 5.08 -1.97 -2.68 114.58 117.24 1sy9 h GLU 139 Ca 0.06 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1sy9 h GLU 139 Cb 0.99 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1sy9 h GLU 139 CO 0.10 0.20 0.26 0.93 -1.00 0.00 0.00 179.01 179.49 1sy9 h GLU 140 N 0.29 0.95 0.00 2.33 5.08 -1.85 -2.61 114.58 118.76 1sy9 h GLU 140 Ca 0.08 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1sy9 h GLU 140 Cb -0.03 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1sy9 h GLU 140 CO -0.02 0.77 -0.00 0.35 -1.00 0.00 0.00 179.01 179.11 1sy9 h PHE 141 N 0.93 -0.01 -0.33 4.33 3.04 -1.36 -2.92 116.94 120.63 1sy9 h PHE 141 Ca 0.22 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 62.02 1sy9 h PHE 141 Cb 0.18 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.69 1sy9 h PHE 141 CO 0.01 -0.00 -0.38 -0.39 -2.02 0.00 0.00 178.31 175.53 1sy9 h VAL 142 N -0.01 1.28 0.10 1.41 -1.51 -1.37 -2.93 116.25 113.23 1sy9 h VAL 142 Ca 0.00 -1.56 -0.00 0.00 -1.23 0.00 0.00 66.70 63.91 1sy9 h VAL 142 Cb 0.01 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1sy9 h VAL 142 CO -0.00 0.51 -0.05 -0.61 -1.23 0.00 0.00 177.57 176.19 1sy9 h GLN 143 N 0.62 -0.14 -0.66 5.19 4.15 -1.47 0.33 115.11 123.13 1sy9 h GLN 143 Ca 0.05 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 1sy9 h GLN 143 Cb 0.97 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 1sy9 h GLN 143 CO 0.09 -0.09 0.29 1.98 -1.93 0.00 0.00 178.83 179.17 1sy9 h MET 144 N -0.14 0.96 -0.36 1.69 4.05 -1.61 -0.31 114.93 119.20 1sy9 h MET 144 Ca -0.01 -0.14 -0.16 0.00 -0.28 0.00 0.00 59.70 59.11 1sy9 h MET 144 Cb 0.11 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1sy9 h MET 144 CO 0.02 0.76 -0.40 0.52 0.23 0.00 0.00 176.91 178.04 1sy9 h MET 145 N 0.95 0.89 -0.01 0.39 2.86 -1.28 -2.80 114.93 115.93 1sy9 h MET 145 Ca 0.23 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1sy9 h MET 145 Cb 0.14 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1sy9 h MET 145 CO -0.03 1.12 0.00 0.25 1.06 0.00 0.00 176.91 179.31 1sy9 n THR 146 N -4.05 0.01 -0.38 2.22 -2.24 0.11 -3.95 114.28 106.00 1sy9 n THR 146 Ca -0.02 -0.07 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 1sy9 n THR 146 Cb 0.55 -0.23 0.11 0.00 -2.10 0.00 0.00 70.33 68.66 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sy9 h ALA 147 N 4.05 1.28 -0.02 6.98 0.00 -0.78 -3.50 119.26 127.29 1sy9 h ALA 147 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sy9 h ALA 147 Cb 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1sy9 h ALA 147 CO 0.00 0.67 0.00 1.63 0.00 0.00 0.00 179.25 181.55