#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu9 s ALA 12 N 0.00 3.19 -0.20 -1.84 0.00 -1.26 -5.04 121.76 116.60 2pu9 s ALA 12 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 2pu9 s ALA 12 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2pu9 s ALA 12 CO 0.00 0.18 -0.11 0.42 0.00 0.00 0.00 175.76 176.26 2pu9 s ILE 13 N -1.77 2.85 0.19 0.00 1.01 -1.26 -5.09 121.20 117.13 2pu9 s ILE 13 Ca 0.53 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 60.20 2pu9 s ILE 13 Cb -0.16 -2.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.96 2pu9 s ILE 13 CO 0.20 0.47 1.42 -0.69 0.00 0.00 0.00 174.94 176.34 2pu9 s VAL 14 N 1.38 2.92 0.00 2.92 1.01 -1.26 -2.98 120.40 124.39 2pu9 s VAL 14 Ca 0.05 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2pu9 s VAL 14 Cb -0.14 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2pu9 s VAL 14 CO -0.07 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2pu9 n GLY 15 N 2.78 0.41 3.54 4.51 0.00 -1.25 -5.05 105.19 110.13 2pu9 n GLY 15 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2pu9 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pu9 s LYS 16 N -0.95 1.71 -0.14 1.61 -2.85 -1.16 -3.93 119.74 114.04 2pu9 s LYS 16 Ca 0.00 -1.49 -0.13 0.00 -1.00 0.00 0.00 55.97 53.35 2pu9 s LYS 16 Cb 0.00 0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 36.18 2pu9 s LYS 16 CO 0.00 -0.71 0.28 0.08 0.10 0.00 0.00 175.35 175.09 2pu9 s VAL 17 N -3.53 5.30 -0.18 1.79 1.01 -1.26 -4.43 120.40 119.10 2pu9 s VAL 17 Ca 0.26 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 2pu9 s VAL 17 Cb -0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2pu9 s VAL 17 CO 0.14 0.45 -0.08 -0.89 0.00 0.00 0.00 175.10 174.72 2pu9 s THR 18 N 0.04 3.22 0.06 3.92 2.01 -0.74 -4.98 115.64 119.17 2pu9 s THR 18 Ca 0.17 -0.57 -0.28 0.00 0.31 0.00 0.00 61.69 61.32 2pu9 s THR 18 Cb -0.13 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 2pu9 s THR 18 CO 0.05 0.47 0.89 -0.70 -0.69 0.00 0.00 174.62 174.64 2pu9 s GLU 19 N 1.00 4.60 0.42 4.92 2.12 -1.26 -1.99 118.70 128.51 2pu9 s GLU 19 Ca -0.00 1.29 0.07 0.00 0.36 0.00 0.00 54.97 56.68 2pu9 s GLU 19 Cb -0.15 -3.39 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 2pu9 s GLU 19 CO -0.01 0.18 0.03 0.14 -0.54 0.00 0.00 175.26 175.06 2pu9 s VAL 20 N 0.22 1.96 0.22 3.70 -7.23 -0.29 -4.91 120.40 114.07 2pu9 s VAL 20 Ca 0.45 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 2pu9 s VAL 20 Cb -0.22 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 2pu9 s VAL 20 CO 0.27 0.00 0.08 -0.46 -0.31 0.00 0.00 175.10 174.68 2pu9 n ASN 21 N -1.04 1.00 0.14 4.85 0.23 -1.26 -4.43 115.26 114.76 2pu9 n ASN 21 Ca -0.06 -2.16 0.10 0.00 -0.53 0.00 0.00 54.58 51.93 2pu9 n ASN 21 Cb 0.67 0.57 0.52 0.00 -2.08 0.00 0.00 39.78 39.46 2pu9 n ASN 21 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 2pu9 n LYS 22 N -0.48 0.13 -0.03 -3.83 2.85 -1.26 -2.48 118.16 113.06 2pu9 n LYS 22 Ca -0.03 0.60 0.01 0.00 -1.05 0.00 0.00 58.31 57.84 2pu9 n LYS 22 Cb 0.33 -1.90 -0.10 0.00 -0.65 0.00 0.00 35.03 32.71 2pu9 n LYS 22 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2pu9 n ASP 23 N -2.17 1.95 0.00 -5.58 8.00 -1.26 -4.68 116.55 112.81 2pu9 n ASP 23 Ca -0.01 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.60 2pu9 n ASP 23 Cb 0.05 1.23 -0.11 0.00 -0.02 0.00 0.00 41.12 42.27 2pu9 n ASP 23 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pu9 n THR 24 N -2.20 0.02 0.02 -3.53 -2.24 -1.10 -4.64 114.28 100.62 2pu9 n THR 24 Ca -0.11 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 2pu9 n THR 24 Cb 0.61 0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 69.42 2pu9 n THR 24 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2pu9 h PHE 25 N 0.00 -0.05 -0.70 4.78 3.57 -1.76 -3.19 116.94 119.59 2pu9 h PHE 25 Ca 0.00 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 2pu9 h PHE 25 Cb 0.68 0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.32 2pu9 h PHE 25 CO 0.00 -0.03 0.13 -1.49 -2.23 0.00 0.00 178.31 174.69 2pu9 h TRP 26 N -0.05 0.19 -0.95 0.41 4.06 -1.87 -1.08 115.95 116.66 2pu9 h TRP 26 Ca -0.01 0.04 0.15 0.00 2.06 0.00 0.00 58.89 61.14 2pu9 h TRP 26 Cb 0.04 0.02 -0.08 0.00 -1.00 0.00 0.00 29.16 28.14 2pu9 h TRP 26 CO 0.22 -0.10 0.60 -1.35 -3.56 0.00 0.00 178.44 174.25 2pu9 h PRO 27 N 0.23 0.74 -0.24 0.49 0.11 -1.82 0.26 132.00 131.77 2pu9 h PRO 27 Ca 0.39 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.29 2pu9 h PRO 27 Cb 0.66 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 2pu9 h PRO 27 CO -0.51 0.49 -0.52 0.82 -0.21 0.00 0.00 178.00 178.07 2pu9 h ILE 28 N 0.77 1.30 -0.25 4.15 2.04 -1.20 -3.11 117.51 121.21 2pu9 h ILE 28 Ca 0.49 -1.74 -0.13 0.00 1.00 0.00 0.00 64.86 64.49 2pu9 h ILE 28 Cb 0.73 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2pu9 h ILE 28 CO -0.25 0.55 -0.37 0.58 0.00 0.00 0.00 178.15 178.66 2pu9 h VAL 29 N 0.55 1.29 -0.22 1.67 2.07 -0.54 -2.64 116.25 118.43 2pu9 h VAL 29 Ca 0.02 -1.51 -0.12 0.00 0.82 0.00 0.00 66.70 65.91 2pu9 h VAL 29 Cb 1.09 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 2pu9 h VAL 29 CO 0.11 0.48 0.15 0.29 0.02 0.00 0.00 177.57 178.62 2pu9 n LYS 30 N -4.05 1.29 0.00 1.57 5.02 0.74 -3.11 118.16 119.62 2pu9 n LYS 30 Ca -0.01 -0.66 0.00 0.00 -2.02 0.00 0.00 58.31 55.61 2pu9 n LYS 30 Cb 0.49 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 2pu9 n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pu9 n ALA 31 N 0.31 0.29 0.33 7.82 0.00 -1.09 -4.91 120.51 123.26 2pu9 n ALA 31 Ca 0.13 -0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.71 2pu9 n ALA 31 Cb 0.71 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.74 2pu9 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pu9 h ALA 32 N 0.00 1.00 -0.87 0.00 0.00 -1.41 -3.48 119.26 114.49 2pu9 h ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pu9 h ALA 32 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2pu9 h ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2pu9 n GLY 33 N 0.14 3.95 0.17 0.00 0.00 -1.26 -1.58 105.19 106.60 2pu9 n GLY 33 Ca 0.02 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.20 2pu9 n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pu9 n ASP 34 N 8.21 0.64 -4.69 1.61 2.03 -1.26 -4.58 116.55 118.51 2pu9 n ASP 34 Ca 0.00 -0.78 -0.40 0.00 0.52 0.00 0.00 54.79 54.13 2pu9 n ASP 34 Cb 0.00 -0.03 -0.05 0.00 -0.72 0.00 0.00 41.12 40.32 2pu9 n ASP 34 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2pu9 s LYS 35 N -2.37 4.37 0.37 -0.67 1.02 -0.61 -5.04 119.74 116.80 2pu9 s LYS 35 Ca 0.31 0.89 -0.27 0.00 0.02 0.00 0.00 55.97 56.93 2pu9 s LYS 35 Cb 0.20 -3.50 -0.09 0.00 -0.52 0.00 0.00 37.83 33.92 2pu9 s LYS 35 CO 0.45 -0.10 1.20 -2.14 -0.92 0.00 0.00 175.35 173.85 2pu9 s PRO 36 N 1.36 4.17 -0.16 -1.68 0.02 -1.26 -4.80 135.00 132.65 2pu9 s PRO 36 Ca 0.37 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 2pu9 s PRO 36 Cb -0.17 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.50 2pu9 s PRO 36 CO 0.16 -0.25 -0.04 0.08 -0.33 0.00 0.00 177.00 176.61 2pu9 s VAL 37 N -1.31 3.81 -0.13 3.83 1.01 0.10 -1.59 120.40 126.12 2pu9 s VAL 37 Ca 0.54 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2pu9 s VAL 37 Cb -0.34 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2pu9 s VAL 37 CO 0.43 0.49 -0.09 -0.69 0.00 0.00 0.00 175.10 175.24 2pu9 s VAL 38 N 0.42 3.39 -0.18 2.92 1.01 0.24 0.26 120.40 128.46 2pu9 s VAL 38 Ca -0.04 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2pu9 s VAL 38 Cb -0.14 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.81 2pu9 s VAL 38 CO 0.03 0.52 -0.19 -0.22 0.00 0.00 0.00 175.10 175.24 2pu9 s LEU 39 N 0.25 2.13 -0.56 3.92 2.96 0.77 -0.30 118.68 127.85 2pu9 s LEU 39 Ca -0.06 -0.66 -0.21 0.00 -0.22 0.00 0.00 54.13 52.97 2pu9 s LEU 39 Cb -0.15 -1.45 0.06 0.00 0.50 0.00 0.00 46.19 45.15 2pu9 s LEU 39 CO 0.04 -0.01 0.80 -0.62 -1.32 0.00 0.00 176.35 175.24 2pu9 s ASP 40 N 1.30 6.25 -0.40 3.68 2.15 -0.20 -1.06 116.67 128.40 2pu9 s ASP 40 Ca 0.04 -0.79 -0.22 0.00 0.43 0.00 0.00 52.55 52.02 2pu9 s ASP 40 Cb -0.13 -2.37 0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2pu9 s ASP 40 CO -0.12 -1.13 0.72 -0.04 -0.17 0.00 0.00 175.17 174.42 2pu9 s MET 41 N 3.35 3.55 0.37 4.34 -1.94 -0.00 -0.61 119.30 128.36 2pu9 s MET 41 Ca 0.21 -0.01 0.06 0.00 -1.71 0.00 0.00 55.69 54.24 2pu9 s MET 41 Cb -0.17 -3.87 -0.03 0.00 2.01 0.00 0.00 34.83 32.77 2pu9 s MET 41 CO 0.14 -0.92 0.22 -0.59 -0.01 0.00 0.00 175.02 173.85 2pu9 s PHE 42 N 2.99 1.77 0.04 -0.03 -0.71 -0.63 -1.90 117.98 119.50 2pu9 s PHE 42 Ca 0.27 -1.52 0.02 0.00 -1.04 0.00 0.00 56.93 54.67 2pu9 s PHE 42 Cb -0.13 -0.91 -0.02 0.00 -1.21 0.00 0.00 43.02 40.75 2pu9 s PHE 42 CO 0.18 -0.64 -0.07 0.95 -1.34 0.00 0.00 175.22 174.31 2pu9 s THR 43 N -3.33 0.48 0.27 -4.49 -4.23 -1.26 0.08 115.64 103.15 2pu9 s THR 43 Ca 0.33 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.79 2pu9 s THR 43 Cb 0.02 -0.55 0.20 0.00 1.34 0.00 0.00 72.50 73.51 2pu9 s THR 43 CO 0.22 -0.37 1.87 1.56 -0.54 0.00 0.00 174.62 177.36 2pu9 h GLN 44 N 4.60 1.06 -2.01 3.99 4.20 -1.98 -3.24 115.11 121.72 2pu9 h GLN 44 Ca -0.35 -0.14 -0.77 0.00 0.06 0.00 0.00 58.65 57.45 2pu9 h GLN 44 Cb 1.20 -0.20 -0.27 0.00 0.30 0.00 0.00 27.48 28.51 2pu9 h GLN 44 CO 0.41 0.80 1.05 0.91 -0.67 0.00 0.00 178.83 181.34 2pu9 n TRP 45 N -4.33 2.97 -4.29 2.96 7.02 -1.26 -4.91 117.44 115.61 2pu9 n TRP 45 Ca 0.07 -2.34 -0.30 0.00 -1.02 0.00 0.00 57.50 53.91 2pu9 n TRP 45 Cb 0.13 -1.18 -0.17 0.00 -2.42 0.00 0.00 31.31 27.67 2pu9 n TRP 45 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2pu9 h GLY 47 N 7.69 -1.21 1.27 0.00 0.00 -1.92 -1.96 103.07 106.94 2pu9 h GLY 47 Ca -0.35 0.50 0.08 0.00 0.00 0.00 0.00 47.33 47.56 2pu9 h GLY 47 CO 0.52 -0.41 0.30 -0.56 0.00 0.00 0.00 176.54 176.39 2pu9 h PRO 48 N -1.04 0.23 -0.41 4.80 0.13 -1.98 -1.03 132.00 132.70 2pu9 h PRO 48 Ca -0.09 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 2pu9 h PRO 48 Cb 0.84 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2pu9 h PRO 48 CO 0.09 0.15 0.01 1.03 -0.23 0.00 0.00 178.00 179.05 2pu9 h SER 49 N 0.23 0.70 -0.45 1.44 0.87 -1.80 -1.73 113.55 112.80 2pu9 h SER 49 Ca 0.20 -0.30 -0.11 0.00 -1.23 0.00 0.00 61.79 60.35 2pu9 h SER 49 Cb 0.49 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2pu9 h SER 49 CO -0.04 0.83 -0.11 0.50 -0.53 0.00 0.00 176.83 177.48 2pu9 h LYS 50 N 0.54 0.92 -0.64 2.24 3.64 -0.51 -2.31 116.57 120.46 2pu9 h LYS 50 Ca 0.12 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 2pu9 h LYS 50 Cb 0.47 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2pu9 h LYS 50 CO 0.02 0.98 0.23 0.00 -2.27 0.00 0.00 179.45 178.41 2pu9 h ALA 51 N 1.04 1.19 0.00 5.00 0.00 -1.06 -2.95 119.26 122.48 2pu9 h ALA 51 Ca 0.13 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2pu9 h ALA 51 Cb 0.64 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2pu9 h ALA 51 CO 0.04 0.57 -0.57 0.52 0.00 0.00 0.00 179.25 179.81 2pu9 h MET 52 N 0.93 0.00 -0.95 0.00 2.86 -1.09 -3.38 114.93 113.30 2pu9 h MET 52 Ca 0.21 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.98 2pu9 h MET 52 Cb 0.23 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.75 2pu9 h MET 52 CO -0.01 0.57 -0.44 0.00 1.06 0.00 0.00 176.91 178.08 2pu9 n ALA 53 N -2.34 -0.31 -0.15 6.32 0.00 -0.89 -1.37 120.51 121.77 2pu9 n ALA 53 Ca -0.00 0.89 -0.04 0.00 0.00 0.00 0.00 53.44 54.29 2pu9 n ALA 53 Cb 0.64 -0.31 0.05 0.00 0.00 0.00 0.00 19.45 19.83 2pu9 n ALA 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2pu9 h PRO 54 N 0.00 0.33 -0.64 0.00 0.11 -1.78 -1.46 132.00 128.55 2pu9 h PRO 54 Ca 0.26 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.30 2pu9 h PRO 54 Cb 0.50 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 2pu9 h PRO 54 CO -0.92 0.22 0.19 0.87 -0.21 0.00 0.00 178.00 178.14 2pu9 h LYS 55 N 0.34 0.98 -0.59 1.05 1.57 -1.48 -2.21 116.57 116.22 2pu9 h LYS 55 Ca 0.23 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2pu9 h LYS 55 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2pu9 h LYS 55 CO -0.23 0.85 0.06 -0.92 -0.57 0.00 0.00 179.45 178.63 2pu9 h TYR 56 N 0.94 1.04 -0.60 -1.35 3.20 -0.74 -1.45 116.97 118.00 2pu9 h TYR 56 Ca 0.21 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2pu9 h TYR 56 Cb 0.29 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2pu9 h TYR 56 CO 0.02 0.91 0.37 0.93 -1.64 0.00 0.00 178.16 178.74 2pu9 h GLU 57 N 0.91 0.82 -0.33 1.82 4.39 -0.85 -2.48 114.58 118.86 2pu9 h GLU 57 Ca 0.18 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 2pu9 h GLU 57 Cb 0.45 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2pu9 h GLU 57 CO 0.02 0.58 -0.19 0.87 -1.16 0.00 0.00 179.01 179.14 2pu9 h LYS 58 N 0.82 0.62 -0.80 2.33 1.57 -1.09 -2.87 116.57 117.14 2pu9 h LYS 58 Ca 0.22 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2pu9 h LYS 58 Cb -0.03 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2pu9 h LYS 58 CO -0.04 0.77 0.53 -0.07 -0.57 0.00 0.00 179.45 180.07 2pu9 h LEU 59 N 0.55 0.91 -1.57 2.94 3.38 -0.84 -0.62 115.31 120.06 2pu9 h LEU 59 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2pu9 h LEU 59 Cb 0.63 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2pu9 h LEU 59 CO 0.04 0.66 0.18 0.00 0.09 0.00 0.00 178.44 179.41 2pu9 h ALA 60 N 1.30 1.68 0.01 1.53 0.00 -1.25 -0.58 119.26 121.95 2pu9 h ALA 60 Ca 0.30 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 2pu9 h ALA 60 Cb -0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2pu9 h ALA 60 CO -0.07 0.27 -0.91 0.93 0.00 0.00 0.00 179.25 179.47 2pu9 h GLU 61 N 0.47 0.14 0.08 0.00 5.08 -1.18 -3.32 114.58 115.85 2pu9 h GLU 61 Ca 0.12 -0.17 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 2pu9 h GLU 61 Cb 0.03 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2pu9 h GLU 61 CO -0.02 0.96 -1.19 0.93 -1.00 0.00 0.00 179.01 178.69 2pu9 h GLU 62 N 0.07 0.18 -3.51 2.33 3.07 -0.54 -3.41 114.58 112.76 2pu9 h GLU 62 Ca -0.04 -0.30 -0.68 0.00 -0.50 0.00 0.00 59.36 57.84 2pu9 h GLU 62 Cb 1.57 0.11 -0.37 0.00 -0.84 0.00 0.00 28.75 29.22 2pu9 h GLU 62 CO 0.13 1.13 -0.43 0.71 -1.40 0.00 0.00 179.01 179.15 2pu9 s TYR 63 N -2.67 3.35 -0.71 4.33 2.02 -0.28 -4.91 117.35 118.48 2pu9 s TYR 63 Ca -0.03 -2.85 0.26 0.00 -0.37 0.00 0.00 57.07 54.08 2pu9 s TYR 63 Cb 0.08 -3.10 0.87 0.00 -0.40 0.00 0.00 41.96 39.41 2pu9 s TYR 63 CO 0.86 -0.81 1.77 1.28 -1.57 0.00 0.00 175.55 177.08 2pu9 n LEU 64 N 3.35 0.72 -0.58 -1.29 4.77 -1.26 -2.80 117.00 119.92 2pu9 n LEU 64 Ca 0.07 0.59 0.07 0.00 -0.03 0.00 0.00 56.01 56.71 2pu9 n LEU 64 Cb 0.36 -0.38 0.24 0.00 -2.33 0.00 0.00 43.42 41.31 2pu9 n LEU 64 CO 0.34 -0.24 0.68 -0.90 -1.33 0.00 0.00 177.39 175.94 2pu9 n ASP 65 N -2.20 1.70 -4.11 -1.43 5.75 -1.26 -4.76 116.55 110.24 2pu9 n ASP 65 Ca 0.05 -1.89 -0.24 0.00 -0.01 0.00 0.00 54.79 52.71 2pu9 n ASP 65 Cb 0.39 -0.18 -0.16 0.00 -1.03 0.00 0.00 41.12 40.14 2pu9 n ASP 65 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2pu9 s VAL 66 N -1.64 1.22 -0.22 2.12 1.01 -1.12 -4.16 120.40 117.60 2pu9 s VAL 66 Ca 0.26 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2pu9 s VAL 66 Cb 0.14 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2pu9 s VAL 66 CO 0.19 0.35 0.46 -0.63 0.00 0.00 0.00 175.10 175.47 2pu9 s ILE 67 N -0.09 5.14 -0.19 2.22 1.01 -0.62 -4.78 121.20 123.88 2pu9 s ILE 67 Ca 0.00 0.81 -0.05 0.00 0.00 0.00 0.00 60.65 61.41 2pu9 s ILE 67 Cb -0.09 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2pu9 s ILE 67 CO 0.01 0.19 0.01 -0.36 0.00 0.00 0.00 174.94 174.78 2pu9 s PHE 68 N 1.66 3.07 0.33 3.97 0.40 -1.26 -0.59 117.98 125.56 2pu9 s PHE 68 Ca 0.21 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 2pu9 s PHE 68 Cb -0.15 -2.07 -0.06 0.00 0.51 0.00 0.00 43.02 41.25 2pu9 s PHE 68 CO 0.09 -0.16 0.07 -0.51 0.70 0.00 0.00 175.22 175.41 2pu9 s LEU 69 N 0.84 2.12 -0.10 -0.37 1.43 0.60 -1.79 118.68 121.41 2pu9 s LEU 69 Ca 0.01 -1.40 -0.10 0.00 -1.03 0.00 0.00 54.13 51.61 2pu9 s LEU 69 Cb -0.14 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.77 2pu9 s LEU 69 CO 0.02 -0.64 0.28 -1.59 0.23 0.00 0.00 176.35 174.65 2pu9 s LYS 70 N -3.89 0.34 -0.11 1.70 -2.85 -0.84 -1.03 119.74 113.06 2pu9 s LYS 70 Ca 0.36 0.35 0.01 0.00 -1.00 0.00 0.00 55.97 55.69 2pu9 s LYS 70 Cb 0.08 0.17 0.02 0.00 -2.06 0.00 0.00 37.83 36.03 2pu9 s LYS 70 CO 0.15 -0.05 -0.14 -1.17 0.10 0.00 0.00 175.35 174.24 2pu9 s LEU 71 N 0.05 1.68 -0.53 2.77 2.96 0.22 -1.14 118.68 124.69 2pu9 s LEU 71 Ca -0.01 -0.43 -0.27 0.00 -0.22 0.00 0.00 54.13 53.20 2pu9 s LEU 71 Cb -0.02 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.62 2pu9 s LEU 71 CO 0.01 -0.01 1.10 -0.62 -1.32 0.00 0.00 176.35 175.51 2pu9 s ASP 72 N 1.11 6.50 -1.36 3.68 -1.08 -1.26 -1.61 116.67 122.65 2pu9 s ASP 72 Ca -0.04 0.15 -0.16 0.00 -0.52 0.00 0.00 52.55 51.98 2pu9 s ASP 72 Cb -0.14 -2.52 0.03 0.00 -1.46 0.00 0.00 42.92 38.83 2pu9 s ASP 72 CO -0.03 -1.31 2.03 0.00 0.52 0.00 0.00 175.17 176.38 2pu9 n ASN 74 N 7.24 0.98 -0.10 0.00 0.23 -1.26 -4.84 115.26 117.52 2pu9 n ASN 74 Ca 0.51 -0.60 -0.09 0.00 -0.53 0.00 0.00 54.58 53.87 2pu9 n ASN 74 Cb 0.42 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.10 2pu9 n ASN 74 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2pu9 h GLN 75 N 0.00 0.43 -0.22 -3.83 5.75 -1.99 -1.77 115.11 113.48 2pu9 h GLN 75 Ca 0.00 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 2pu9 h GLN 75 Cb 0.00 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 2pu9 h GLN 75 CO 0.00 0.30 -0.09 1.49 -2.65 0.00 0.00 178.83 177.88 2pu9 h GLU 76 N 0.44 -0.06 -0.72 1.69 4.81 -1.96 -2.39 114.58 116.40 2pu9 h GLU 76 Ca 0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2pu9 h GLU 76 Cb -0.04 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2pu9 h GLU 76 CO -0.02 -0.04 0.01 0.09 -0.73 0.00 0.00 179.01 178.32 2pu9 n ASN 77 N -5.25 4.30 -0.28 1.04 3.02 -1.17 -4.56 115.26 112.36 2pu9 n ASN 77 Ca -0.01 -2.66 0.08 0.00 -0.03 0.00 0.00 54.58 51.95 2pu9 n ASN 77 Cb 0.17 -0.63 0.23 0.00 -0.61 0.00 0.00 39.78 38.94 2pu9 n ASN 77 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2pu9 h LYS 78 N 2.74 0.42 -0.58 3.52 3.64 -0.77 -1.65 116.57 123.89 2pu9 h LYS 78 Ca 0.01 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2pu9 h LYS 78 Cb 1.56 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 2pu9 h LYS 78 CO 0.36 0.28 0.09 1.79 -2.27 0.00 0.00 179.45 179.69 2pu9 h THR 79 N 0.43 1.26 -0.28 1.00 1.35 -1.83 -2.00 112.91 112.85 2pu9 h THR 79 Ca 0.47 -1.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.22 2pu9 h THR 79 Cb 0.77 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2pu9 h THR 79 CO -0.45 0.37 -0.24 0.25 -0.25 0.00 0.00 175.52 175.19 2pu9 h LEU 80 N 0.87 0.69 -0.65 3.87 5.85 -1.75 -2.50 115.31 121.70 2pu9 h LEU 80 Ca 0.18 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.45 2pu9 h LEU 80 Cb 0.43 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2pu9 h LEU 80 CO 0.01 1.01 0.42 0.00 -0.34 0.00 0.00 178.44 179.55 2pu9 h ALA 81 N 0.71 0.83 -0.16 1.25 0.00 -1.30 0.13 119.26 120.72 2pu9 h ALA 81 Ca 0.05 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2pu9 h ALA 81 Cb 0.80 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2pu9 h ALA 81 CO 0.06 0.23 -0.06 -0.22 0.00 0.00 0.00 179.25 179.27 2pu9 h LYS 82 N 0.86 -0.03 -0.46 0.00 3.64 -1.29 -0.96 116.57 118.33 2pu9 h LYS 82 Ca 0.24 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 2pu9 h LYS 82 Cb -0.08 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2pu9 h LYS 82 CO -0.06 -0.02 -0.15 1.49 -2.27 0.00 0.00 179.45 178.44 2pu9 h GLU 83 N -0.03 0.91 0.00 1.90 4.81 -1.07 -2.98 114.58 118.12 2pu9 h GLU 83 Ca 0.08 -0.37 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 2pu9 h GLU 83 Cb 0.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2pu9 h GLU 83 CO -0.18 1.02 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.76 2pu9 h LEU 84 N 0.75 0.00 -2.01 1.64 3.38 -0.82 -3.49 115.31 114.76 2pu9 h LEU 84 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2pu9 h LEU 84 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2pu9 h LEU 84 CO 0.05 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.48 2pu9 n GLY 85 N -0.40 -2.42 3.14 0.83 0.00 -0.38 -5.09 105.19 100.87 2pu9 n GLY 85 Ca -0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 2pu9 n GLY 85 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pu9 s ILE 86 N 0.00 -0.02 0.01 -0.61 2.07 -1.25 -5.04 121.20 116.36 2pu9 s ILE 86 Ca 0.00 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2pu9 s ILE 86 Cb 0.00 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.15 2pu9 s ILE 86 CO 0.00 0.03 0.00 0.54 -1.91 0.00 0.00 174.94 173.60 2pu9 n ARG 87 N 3.78 0.00 -3.30 3.50 1.74 -1.26 -5.01 116.66 116.11 2pu9 n ARG 87 Ca -0.21 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.49 2pu9 n ARG 87 Cb 0.55 -0.44 -0.06 0.00 -1.02 0.00 0.00 32.46 31.50 2pu9 n ARG 87 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2pu9 s VAL 88 N -2.00 4.96 -0.18 1.55 1.01 -1.26 -5.07 120.40 119.41 2pu9 s VAL 88 Ca 0.00 1.10 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 2pu9 s VAL 88 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2pu9 s VAL 88 CO 0.00 0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 2pu9 s VAL 89 N -0.37 3.70 0.63 2.92 1.01 -1.26 -3.34 120.40 123.69 2pu9 s VAL 89 Ca 0.28 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 2pu9 s VAL 89 Cb -0.18 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.60 2pu9 s VAL 89 CO 0.15 0.47 0.91 -2.16 0.00 0.00 0.00 175.10 174.47 2pu9 s PRO 90 N 0.74 2.50 -0.02 2.72 0.04 -1.26 -4.69 135.00 135.04 2pu9 s PRO 90 Ca -0.02 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.69 2pu9 s PRO 90 Cb -0.15 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.12 2pu9 s PRO 90 CO 0.02 -0.93 -0.00 0.99 0.04 0.00 0.00 177.00 177.12 2pu9 s THR 91 N -3.03 0.16 -0.22 1.26 2.01 -0.80 0.06 115.64 115.09 2pu9 s THR 91 Ca 0.57 0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.56 2pu9 s THR 91 Cb -0.11 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 2pu9 s THR 91 CO 0.43 0.12 0.04 -0.36 -0.69 0.00 0.00 174.62 174.15 2pu9 s PHE 92 N 0.75 3.08 -0.15 4.92 0.40 0.72 -0.82 117.98 126.88 2pu9 s PHE 92 Ca -0.07 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.77 2pu9 s PHE 92 Cb -0.10 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 2pu9 s PHE 92 CO -0.01 -0.26 0.13 0.15 0.70 0.00 0.00 175.22 175.92 2pu9 s LYS 93 N 1.23 3.76 -0.21 0.44 -0.14 -0.22 -1.13 119.74 123.47 2pu9 s LYS 93 Ca 0.04 -0.19 -0.03 0.00 -1.36 0.00 0.00 55.97 54.43 2pu9 s LYS 93 Cb -0.15 -3.27 -0.00 0.00 -1.68 0.00 0.00 37.83 32.73 2pu9 s LYS 93 CO 0.02 0.56 -0.07 0.42 -0.76 0.00 0.00 175.35 175.52 2pu9 s ILE 94 N -0.39 3.18 0.14 2.17 1.09 0.54 -0.17 121.20 127.76 2pu9 s ILE 94 Ca 0.12 -0.56 0.10 0.00 -1.10 0.00 0.00 60.65 59.20 2pu9 s ILE 94 Cb -0.12 -2.43 -0.04 0.00 -1.06 0.00 0.00 42.46 38.82 2pu9 s ILE 94 CO 0.01 0.45 -0.24 -0.76 -0.10 0.00 0.00 174.94 174.30 2pu9 s LEU 95 N 1.38 2.36 -0.28 2.97 1.02 0.14 0.13 118.68 126.40 2pu9 s LEU 95 Ca 0.05 -0.78 -0.18 0.00 0.02 0.00 0.00 54.13 53.24 2pu9 s LEU 95 Cb -0.14 -1.07 0.09 0.00 0.02 0.00 0.00 46.19 45.10 2pu9 s LEU 95 CO -0.04 0.11 0.78 -0.75 0.02 0.00 0.00 176.35 176.46 2pu9 s LYS 96 N -2.26 0.65 -0.51 1.70 2.20 -0.08 0.00 119.74 121.44 2pu9 s LYS 96 Ca 0.14 1.03 -0.03 0.00 -0.36 0.00 0.00 55.97 56.75 2pu9 s LYS 96 Cb -0.09 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 2pu9 s LYS 96 CO 0.06 -0.12 0.38 -1.91 -0.36 0.00 0.00 175.35 173.41 2pu9 n GLU 97 N 3.75 -2.65 -1.40 4.03 4.07 -1.26 -3.10 120.64 124.09 2pu9 n GLU 97 Ca -0.18 0.31 -0.14 0.00 -0.06 0.00 0.00 57.16 57.09 2pu9 n GLU 97 Cb 0.58 -3.80 -0.06 0.00 -0.06 0.00 0.00 31.44 28.10 2pu9 n GLU 97 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2pu9 n ASN 98 N -0.06 -5.30 -4.00 4.31 4.13 -1.26 -4.96 115.26 108.12 2pu9 n ASN 98 Ca -0.01 0.34 -0.09 0.00 1.68 0.00 0.00 54.58 56.51 2pu9 n ASN 98 Cb 0.53 -4.01 -0.10 0.00 -1.54 0.00 0.00 39.78 34.65 2pu9 n ASN 98 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2pu9 s SER 99 N -2.61 0.29 -0.11 6.41 1.04 -1.18 -5.04 113.70 112.50 2pu9 s SER 99 Ca 0.00 -0.62 -0.30 0.00 0.48 0.00 0.00 55.95 55.51 2pu9 s SER 99 Cb 0.00 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 2pu9 s SER 99 CO 0.00 -0.41 1.31 -0.69 0.98 0.00 0.00 173.24 174.43 2pu9 s VAL 100 N -2.26 4.14 -0.11 5.02 1.01 -1.26 -0.91 120.40 126.03 2pu9 s VAL 100 Ca -0.08 1.42 0.05 0.00 0.00 0.00 0.00 61.98 63.36 2pu9 s VAL 100 Cb -0.04 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 2pu9 s VAL 100 CO -0.04 -0.09 0.15 1.33 0.00 0.00 0.00 175.10 176.46 2pu9 n VAL 101 N 5.14 0.00 -3.79 2.92 0.24 0.12 -4.94 118.33 118.02 2pu9 n VAL 101 Ca 0.14 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 2pu9 n VAL 101 Cb 0.45 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 2pu9 n VAL 101 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2pu9 s GLY 102 N -1.99 0.03 -0.27 7.63 0.00 -0.51 -4.99 107.32 107.23 2pu9 s GLY 102 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 44.72 44.06 2pu9 s GLY 102 CO 0.19 -0.59 0.71 1.85 0.00 0.00 0.00 173.10 175.26 2pu9 s GLU 103 N -3.87 0.79 -0.13 2.90 2.12 -1.26 -0.34 118.70 118.91 2pu9 s GLU 103 Ca 0.07 1.08 -0.00 0.00 0.36 0.00 0.00 54.97 56.48 2pu9 s GLU 103 Cb 0.03 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.76 2pu9 s GLU 103 CO -0.08 -0.12 -0.07 0.08 -0.54 0.00 0.00 175.26 174.52 2pu9 s VAL 104 N 0.85 1.11 -0.14 3.70 1.01 -0.28 -4.99 120.40 121.65 2pu9 s VAL 104 Ca -0.04 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 2pu9 s VAL 104 Cb -0.05 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 2pu9 s VAL 104 CO -0.07 0.30 0.21 0.42 0.00 0.00 0.00 175.10 175.96 2pu9 s THR 105 N 1.66 5.37 0.00 3.92 -4.23 -1.26 -0.20 115.64 120.90 2pu9 s THR 105 Ca 0.04 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 2pu9 s THR 105 Cb -0.13 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2pu9 s THR 105 CO -0.08 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 2pu9 n GLY 106 N 2.85 0.06 2.58 3.99 0.00 0.11 -4.62 105.19 110.16 2pu9 n GLY 106 Ca -0.16 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 2pu9 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu9 n ALA 107 N 0.39 6.37 -3.52 4.61 0.00 -1.26 -4.71 120.51 122.38 2pu9 n ALA 107 Ca 0.00 -3.91 -0.42 0.00 0.00 0.00 0.00 53.44 49.12 2pu9 n ALA 107 Cb 0.00 -3.23 -0.06 0.00 0.00 0.00 0.00 19.45 16.16 2pu9 n ALA 107 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pu9 s LYS 108 N 1.47 2.94 0.07 0.00 1.02 -1.26 -4.95 119.74 119.03 2pu9 s LYS 108 Ca 0.54 -2.29 -0.31 0.00 0.02 0.00 0.00 55.97 53.92 2pu9 s LYS 108 Cb 0.15 -4.05 -0.18 0.00 -0.52 0.00 0.00 37.83 33.23 2pu9 s LYS 108 CO -0.06 -1.23 1.65 -0.92 -0.92 0.00 0.00 175.35 173.87 2pu9 h TYR 109 N 7.71 -0.68 -0.42 3.18 3.20 -1.99 -0.06 116.97 127.91 2pu9 h TYR 109 Ca -0.03 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.90 2pu9 h TYR 109 Cb 1.02 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 39.45 2pu9 h TYR 109 CO 0.81 -0.42 0.01 -0.44 -1.64 0.00 0.00 178.16 176.48 2pu9 h ASP 110 N -0.73 -0.15 -0.75 -2.11 3.32 -1.99 0.29 116.42 114.30 2pu9 h ASP 110 Ca -0.07 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.08 2pu9 h ASP 110 Cb 0.56 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 2pu9 h ASP 110 CO 0.12 -0.04 0.49 0.11 -1.72 0.00 0.00 179.24 178.20 2pu9 h LYS 111 N 0.12 0.98 -0.72 3.56 1.79 -1.96 0.40 116.57 120.75 2pu9 h LYS 111 Ca 0.21 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.58 2pu9 h LYS 111 Cb 0.30 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 2pu9 h LYS 111 CO -0.34 0.66 0.29 1.25 -1.08 0.00 0.00 179.45 180.23 2pu9 h LEU 112 N 1.01 0.99 -0.03 2.94 5.85 0.10 -0.15 115.31 126.02 2pu9 h LEU 112 Ca 0.27 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2pu9 h LEU 112 Cb -0.11 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.66 2pu9 h LEU 112 CO -0.06 0.89 0.02 0.25 -0.34 0.00 0.00 178.44 179.20 2pu9 h LEU 113 N 1.03 0.04 -1.20 2.25 6.46 0.27 -0.14 115.31 124.01 2pu9 h LEU 113 Ca 0.24 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 2pu9 h LEU 113 Cb 0.21 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 2pu9 h LEU 113 CO -0.02 0.11 0.55 -0.33 -0.62 0.00 0.00 178.44 178.13 2pu9 h GLU 114 N -0.03 1.02 -0.35 1.25 5.08 -0.66 0.14 114.58 121.03 2pu9 h GLU 114 Ca 0.01 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2pu9 h GLU 114 Cb 0.08 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2pu9 h GLU 114 CO -0.00 0.68 -0.27 0.00 -1.00 0.00 0.00 179.01 178.42 2pu9 h ALA 115 N 1.51 0.88 -0.30 3.43 0.00 -0.62 0.13 119.26 124.28 2pu9 h ALA 115 Ca 0.32 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2pu9 h ALA 115 Cb -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2pu9 h ALA 115 CO -0.09 0.63 -0.30 0.82 0.00 0.00 0.00 179.25 180.32 2pu9 h ILE 116 N 0.62 1.30 0.00 0.00 2.04 -0.10 -0.72 117.51 120.64 2pu9 h ILE 116 Ca 0.08 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.40 2pu9 h ILE 116 Cb 0.77 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2pu9 h ILE 116 CO 0.06 0.47 -0.35 1.56 0.00 0.00 0.00 178.15 179.90 2pu9 h GLN 117 N 0.49 0.00 -0.20 2.37 4.20 -0.56 0.60 115.11 122.02 2pu9 h GLN 117 Ca 0.05 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.55 2pu9 h GLN 117 Cb 0.87 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.66 2pu9 h GLN 117 CO 0.07 0.35 -0.69 0.00 -0.67 0.00 0.00 178.83 177.90 2pu9 h ALA 118 N 1.65 0.35 -0.28 3.87 0.00 -0.53 -2.44 119.26 121.87 2pu9 h ALA 118 Ca -0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 2pu9 h ALA 118 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2pu9 h ALA 118 CO 0.05 0.66 -0.35 0.00 0.00 0.00 0.00 179.25 179.61 2pu9 h ALA 119 N 0.59 0.86 -0.45 0.00 0.00 -0.56 -3.08 119.26 116.63 2pu9 h ALA 119 Ca -0.03 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 2pu9 h ALA 119 Cb 1.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2pu9 h ALA 119 CO 0.15 0.63 -0.14 0.00 0.00 0.00 0.00 179.25 179.89 2pu9 h ARG 120 N 0.52 0.88 -0.02 0.00 3.08 -0.89 -3.46 114.38 114.50 2pu9 h ARG 120 Ca 0.05 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2pu9 h ARG 120 Cb 0.85 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2pu9 h ARG 120 CO 0.07 1.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.84