#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktm n GLY 27 N 0.00 3.29 3.96 0.00 0.00 -1.26 -4.96 105.19 106.22 3ktm n GLY 27 Ca 0.00 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 3ktm n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ktm s LEU 28 N 3.27 3.61 0.22 0.99 1.43 -1.26 -5.11 118.68 121.83 3ktm s LEU 28 Ca 0.51 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.89 3ktm s LEU 28 Cb 0.07 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 3ktm s LEU 28 CO 0.02 -0.75 0.19 -0.76 0.23 0.00 0.00 176.35 175.28 3ktm s LEU 29 N -4.57 3.85 0.29 1.79 1.43 -1.26 -5.00 118.68 115.22 3ktm s LEU 29 Ca 0.49 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.12 3ktm s LEU 29 Cb -0.10 -2.41 -0.10 0.00 0.03 0.00 0.00 46.19 43.62 3ktm s LEU 29 CO 0.38 -0.01 1.11 0.00 0.23 0.00 0.00 176.35 178.06 3ktm s ALA 30 N -2.00 3.39 0.18 4.21 0.00 -0.13 -4.93 121.76 122.48 3ktm s ALA 30 Ca 0.32 0.91 -0.33 0.00 0.00 0.00 0.00 51.96 52.87 3ktm s ALA 30 Cb -0.09 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 3ktm s ALA 30 CO 0.25 -0.21 1.63 -1.91 0.00 0.00 0.00 175.76 175.52 3ktm n GLU 31 N 1.06 2.38 -2.02 0.00 2.13 -1.26 -4.53 120.64 118.40 3ktm n GLU 31 Ca -0.01 0.86 -0.41 0.00 0.66 0.00 0.00 57.16 58.26 3ktm n GLU 31 Cb 0.45 -2.65 -0.02 0.00 0.27 0.00 0.00 31.44 29.48 3ktm n GLU 31 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3ktm s PRO 32 N 1.04 4.28 -0.04 5.31 0.04 -1.26 -4.87 135.00 139.50 3ktm s PRO 32 Ca 0.78 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.83 3ktm s PRO 32 Cb -0.62 -3.08 0.10 0.00 0.04 0.00 0.00 34.50 30.95 3ktm s PRO 32 CO 0.36 -0.35 0.86 1.14 0.04 0.00 0.00 177.00 179.05 3ktm s GLN 33 N -1.10 0.83 0.12 4.56 -2.07 -1.26 -1.20 119.66 119.55 3ktm s GLN 33 Ca 0.55 -0.13 0.10 0.00 -1.82 0.00 0.00 55.36 54.05 3ktm s GLN 33 Cb -0.42 0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 31.85 3ktm s GLN 33 CO 0.49 -0.33 -0.24 0.96 -1.32 0.00 0.00 175.29 174.85 3ktm s ILE 34 N -2.43 2.06 -0.03 3.63 -5.25 -0.27 -0.09 121.20 118.83 3ktm s ILE 34 Ca 0.01 -1.70 0.03 0.00 -0.99 0.00 0.00 60.65 58.00 3ktm s ILE 34 Cb -0.01 -1.85 -0.00 0.00 2.95 0.00 0.00 42.46 43.56 3ktm s ILE 34 CO -0.04 0.02 -0.11 0.00 -1.79 0.00 0.00 174.94 173.01 3ktm s ALA 35 N -1.15 1.03 0.19 2.27 0.00 0.13 0.08 121.76 124.30 3ktm s ALA 35 Ca 0.12 -0.45 0.11 0.00 0.00 0.00 0.00 51.96 51.74 3ktm s ALA 35 Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3ktm s ALA 35 CO 0.06 0.19 -0.23 -1.64 0.00 0.00 0.00 175.76 174.14 3ktm s MET 36 N 0.06 1.47 -0.43 0.00 -1.94 -1.26 -0.32 119.30 116.88 3ktm s MET 36 Ca -0.02 -1.50 0.07 0.00 -1.71 0.00 0.00 55.69 52.53 3ktm s MET 36 Cb -0.08 -1.73 0.18 0.00 2.01 0.00 0.00 34.83 35.20 3ktm s MET 36 CO 0.01 0.37 0.62 0.12 -0.01 0.00 0.00 175.02 176.12 3ktm s PHE 37 N -1.76 -1.51 0.05 -0.03 5.36 -1.26 -4.91 117.98 113.92 3ktm s PHE 37 Ca 0.20 -0.06 -0.29 0.00 -0.96 0.00 0.00 56.93 55.81 3ktm s PHE 37 Cb -0.07 0.22 -0.15 0.00 -0.34 0.00 0.00 43.02 42.67 3ktm s PHE 37 CO 0.09 -1.17 0.73 0.00 -1.46 0.00 0.00 175.22 173.42 3ktm n GLY 39 N 1.33 0.36 3.20 0.00 0.00 -1.26 -5.03 105.19 103.79 3ktm n GLY 39 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3ktm n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ktm s ARG 40 N -0.98 1.17 0.24 1.61 1.81 -0.43 -4.83 118.95 117.53 3ktm s ARG 40 Ca 0.00 -1.61 -0.30 0.00 -1.72 0.00 0.00 55.73 52.10 3ktm s ARG 40 Cb 0.00 0.21 -0.09 0.00 -0.45 0.00 0.00 34.95 34.62 3ktm s ARG 40 CO 0.00 -0.36 0.94 -0.51 -0.68 0.00 0.00 175.30 174.69 3ktm s LEU 41 N -3.15 4.64 0.81 2.53 1.43 0.54 -4.01 118.68 121.47 3ktm s LEU 41 Ca 0.36 1.95 -0.14 0.00 -1.03 0.00 0.00 54.13 55.27 3ktm s LEU 41 Cb 0.07 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.70 3ktm s LEU 41 CO 0.10 0.16 0.70 0.59 0.23 0.00 0.00 176.35 178.13 3ktm n ASN 42 N 1.47 -0.75 -4.40 2.29 3.02 -0.90 -4.58 115.26 111.42 3ktm n ASN 42 Ca -0.02 0.52 -0.28 0.00 -0.03 0.00 0.00 54.58 54.77 3ktm n ASN 42 Cb 0.47 -1.30 -0.12 0.00 -0.61 0.00 0.00 39.78 38.21 3ktm n ASN 42 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3ktm s MET 43 N -3.42 1.45 0.03 3.52 -1.94 0.57 -1.38 119.30 118.13 3ktm s MET 43 Ca 0.66 -1.43 -0.07 0.00 -1.71 0.00 0.00 55.69 53.14 3ktm s MET 43 Cb -0.29 -1.86 -0.00 0.00 2.01 0.00 0.00 34.83 34.69 3ktm s MET 43 CO 0.58 0.42 0.14 -3.38 -0.01 0.00 0.00 175.02 172.77 3ktm s HIS 44 N -1.36 0.13 0.06 -0.03 -3.43 -0.64 0.17 115.29 110.19 3ktm s HIS 44 Ca 0.17 -0.38 -0.30 0.00 -0.80 0.00 0.00 55.06 53.75 3ktm s HIS 44 Cb -0.09 -0.09 -0.05 0.00 -1.43 0.00 0.00 32.58 30.92 3ktm s HIS 44 CO 0.08 -0.38 1.01 1.41 -2.00 0.00 0.00 174.74 174.86 3ktm s MET 45 N -2.44 4.59 -0.84 -0.38 1.75 0.88 -1.40 119.30 121.46 3ktm s MET 45 Ca -0.06 1.50 -0.24 0.00 -1.25 0.00 0.00 55.69 55.63 3ktm s MET 45 Cb -0.02 -3.41 0.05 0.00 2.84 0.00 0.00 34.83 34.30 3ktm s MET 45 CO -0.04 0.02 1.27 1.21 -0.65 0.00 0.00 175.02 176.83 3ktm s ASN 46 N 0.61 6.32 0.44 1.11 3.84 -0.31 -4.63 114.94 122.33 3ktm s ASN 46 Ca 0.51 -1.03 0.17 0.00 0.21 0.00 0.00 52.86 52.73 3ktm s ASN 46 Cb -0.23 -2.52 0.95 0.00 -0.55 0.00 0.00 41.25 38.90 3ktm s ASN 46 CO 0.29 -1.59 1.47 -0.37 -2.79 0.00 0.00 177.10 174.11 3ktm h VAL 47 N 6.25 0.00 0.11 -5.21 -1.51 -1.86 -0.27 116.25 113.75 3ktm h VAL 47 Ca -0.08 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 65.06 3ktm h VAL 47 Cb 1.04 0.39 -0.02 0.00 -2.13 0.00 0.00 31.29 30.57 3ktm h VAL 47 CO 1.29 0.00 -1.74 1.56 -1.23 0.00 0.00 177.57 177.45 3ktm h GLN 48 N 0.00 0.23 -0.00 5.19 4.20 -1.89 -0.33 115.11 122.51 3ktm h GLN 48 Ca 0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.32 3ktm h GLN 48 Cb 0.70 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3ktm h GLN 48 CO 0.00 1.06 -0.01 0.27 -0.67 0.00 0.00 178.83 179.48 3ktm n ASN 49 N -3.41 1.20 0.00 1.46 0.23 -0.93 -4.91 115.26 108.91 3ktm n ASN 49 Ca -0.22 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 3ktm n ASN 49 Cb 1.05 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.84 3ktm n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ktm n GLY 50 N 0.28 2.00 3.95 4.83 0.00 -0.16 -5.01 105.19 111.07 3ktm n GLY 50 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3ktm n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktm s LYS 51 N -0.05 3.37 0.30 1.61 1.02 -1.26 -4.79 119.74 119.95 3ktm s LYS 51 Ca 0.00 -0.39 -0.20 0.00 0.02 0.00 0.00 55.97 55.40 3ktm s LYS 51 Cb 0.00 -2.64 -0.09 0.00 -0.52 0.00 0.00 37.83 34.58 3ktm s LYS 51 CO 0.00 0.04 0.80 -1.58 -0.92 0.00 0.00 175.35 173.69 3ktm s TRP 52 N -2.37 3.53 0.15 3.18 0.52 -1.26 -1.16 118.94 121.52 3ktm s TRP 52 Ca 0.42 1.44 0.06 0.00 0.02 0.00 0.00 56.10 58.04 3ktm s TRP 52 Cb -0.10 -2.68 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 3ktm s TRP 52 CO 0.36 0.18 -0.13 -0.51 0.02 0.00 0.00 176.95 176.87 3ktm s ASP 53 N -1.91 2.07 0.85 2.95 1.01 -0.50 -4.88 116.67 116.26 3ktm s ASP 53 Ca 0.50 -0.92 -0.10 0.00 0.71 0.00 0.00 52.55 52.75 3ktm s ASP 53 Cb -0.14 -0.07 0.16 0.00 1.01 0.00 0.00 42.92 43.88 3ktm s ASP 53 CO 0.19 -0.21 1.17 -0.55 0.21 0.00 0.00 175.17 175.99 3ktm s SER 54 N -2.87 3.76 0.15 0.27 0.15 -1.26 -1.63 113.70 112.26 3ktm s SER 54 Ca 0.14 0.07 -0.31 0.00 0.70 0.00 0.00 55.95 56.56 3ktm s SER 54 Cb -0.02 -0.31 -0.11 0.00 -1.71 0.00 0.00 66.02 63.88 3ktm s SER 54 CO 0.03 -2.29 1.77 -0.62 1.20 0.00 0.00 173.24 173.33 3ktm s ASP 55 N -4.79 6.43 0.26 5.45 2.15 -0.48 -4.75 116.67 120.94 3ktm s ASP 55 Ca 0.70 2.78 -0.02 0.00 0.43 0.00 0.00 52.55 56.44 3ktm s ASP 55 Cb -0.05 -2.58 0.49 0.00 -0.30 0.00 0.00 42.92 40.48 3ktm s ASP 55 CO 0.49 -0.98 1.80 -0.65 -0.17 0.00 0.00 175.17 175.66 3ktm h PRO 56 N 7.88 0.75 -0.00 4.34 0.11 -1.93 -1.13 132.00 142.02 3ktm h PRO 56 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ktm h PRO 56 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ktm h PRO 56 CO 0.95 0.50 -0.20 -1.13 -0.21 0.00 0.00 178.00 177.91 3ktm n SER 57 N -4.76 0.40 -2.40 -2.05 3.41 -1.26 -4.94 113.62 102.01 3ktm n SER 57 Ca 0.16 -0.24 -0.19 0.00 -0.26 0.00 0.00 58.87 58.34 3ktm n SER 57 Cb 0.36 -0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 3ktm n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ktm n GLY 58 N 1.40 -0.40 0.00 5.00 0.00 -0.43 -4.83 105.19 105.93 3ktm n GLY 58 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ktm n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ktm n THR 59 N -4.19 0.00 -2.23 2.61 -2.24 -1.26 -0.37 114.28 106.60 3ktm n THR 59 Ca -0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3ktm n THR 59 Cb 0.64 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 3ktm n THR 59 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ktm s LYS 60 N -0.48 4.36 0.44 -0.78 -0.14 -1.26 -4.99 119.74 116.89 3ktm s LYS 60 Ca 0.00 2.02 0.03 0.00 -1.36 0.00 0.00 55.97 56.66 3ktm s LYS 60 Cb 0.00 -3.24 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 3ktm s LYS 60 CO 0.00 -0.34 0.07 -0.08 -0.76 0.00 0.00 175.35 174.25 3ktm s THR 61 N 0.73 0.92 0.06 2.17 -1.32 -1.26 -2.11 115.64 114.83 3ktm s THR 61 Ca 0.61 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.79 3ktm s THR 61 Cb -0.36 -2.36 -0.16 0.00 -1.51 0.00 0.00 72.50 68.12 3ktm s THR 61 CO 0.33 0.00 0.72 0.00 -2.21 0.00 0.00 174.62 173.45 3ktm s ILE 63 N -0.31 4.74 -0.14 0.00 1.01 -1.26 -5.00 121.20 120.25 3ktm s ILE 63 Ca 0.67 -0.95 0.15 0.00 0.00 0.00 0.00 60.65 60.52 3ktm s ILE 63 Cb -0.94 -3.42 0.32 0.00 0.01 0.00 0.00 42.46 38.43 3ktm s ILE 63 CO 0.47 -0.09 1.16 -0.90 0.00 0.00 0.00 174.94 175.58 3ktm n ASP 64 N -0.35 1.77 -3.79 3.58 5.75 -1.26 -5.00 116.55 117.24 3ktm n ASP 64 Ca -0.08 -3.20 -0.13 0.00 -0.01 0.00 0.00 54.79 51.37 3ktm n ASP 64 Cb 0.54 -0.43 -0.09 0.00 -1.03 0.00 0.00 41.12 40.11 3ktm n ASP 64 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ktm s THR 65 N -2.50 0.06 0.06 2.12 -4.23 -1.26 -5.04 115.64 104.85 3ktm s THR 65 Ca 0.31 -0.51 -0.27 0.00 -1.18 0.00 0.00 61.69 60.04 3ktm s THR 65 Cb 0.30 -0.56 -0.17 0.00 1.34 0.00 0.00 72.50 73.40 3ktm s THR 65 CO -0.03 -0.28 1.59 0.11 -0.54 0.00 0.00 174.62 175.47 3ktm h LYS 66 N 4.04 -0.40 -0.94 3.99 1.79 -1.96 -0.52 116.57 122.58 3ktm h LYS 66 Ca -0.30 0.03 0.25 0.00 -2.18 0.00 0.00 60.65 58.45 3ktm h LYS 66 Cb 1.18 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 31.79 3ktm h LYS 66 CO 0.40 -0.21 0.46 0.93 -1.08 0.00 0.00 179.45 179.95 3ktm h GLU 67 N -0.49 0.40 -0.16 3.15 3.07 -1.97 0.28 114.58 118.86 3ktm h GLU 67 Ca -0.04 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.66 3ktm h GLU 67 Cb 0.37 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3ktm h GLU 67 CO 0.07 0.27 -0.49 0.78 -1.40 0.00 0.00 179.01 178.23 3ktm h GLY 68 N 0.41 0.46 1.12 -3.84 0.00 -1.85 -0.91 103.07 98.48 3ktm h GLY 68 Ca 0.61 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 3ktm h GLY 68 CO -0.54 0.45 -0.38 -2.22 0.00 0.00 0.00 176.54 173.85 3ktm h ILE 69 N 0.34 1.27 0.00 2.60 2.04 0.11 -1.52 117.51 122.34 3ktm h ILE 69 Ca 0.02 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.33 3ktm h ILE 69 Cb 0.98 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3ktm h ILE 69 CO 0.09 0.52 -0.02 0.25 0.00 0.00 0.00 178.15 178.99 3ktm h LEU 70 N 0.76 -0.06 -1.42 1.44 5.85 -0.66 -0.88 115.31 120.34 3ktm h LEU 70 Ca 0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3ktm h LEU 70 Cb 0.97 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3ktm h LEU 70 CO 0.09 -0.03 0.28 1.56 -0.34 0.00 0.00 178.44 180.00 3ktm h GLN 71 N -0.04 0.67 -0.27 1.25 4.20 -1.09 -1.23 115.11 118.60 3ktm h GLN 71 Ca 0.01 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 3ktm h GLN 71 Cb 0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3ktm h GLN 71 CO -0.02 0.49 -0.30 -0.92 -0.67 0.00 0.00 178.83 177.41 3ktm h TYR 72 N 0.68 0.63 -0.15 2.96 3.20 -0.76 -1.79 116.97 121.75 3ktm h TYR 72 Ca 0.18 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ktm h TYR 72 Cb 0.00 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3ktm h TYR 72 CO 0.00 0.79 0.08 0.00 -1.64 0.00 0.00 178.16 177.39 3ktm h GLN 74 N 0.13 1.10 -0.69 0.00 4.20 -1.09 -1.28 115.11 117.48 3ktm h GLN 74 Ca 0.05 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3ktm h GLN 74 Cb 0.08 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3ktm h GLN 74 CO -0.01 0.73 0.35 0.93 -0.67 0.00 0.00 178.83 180.16 3ktm h GLU 75 N 1.13 0.99 0.00 1.46 5.08 -0.91 -2.63 114.58 119.71 3ktm h GLU 75 Ca 0.41 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3ktm h GLU 75 Cb 0.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ktm h GLU 75 CO -0.15 0.77 -0.61 1.33 -1.00 0.00 0.00 179.01 179.35 3ktm n VAL 76 N -4.46 0.05 -3.01 3.13 0.24 -0.96 -4.15 118.33 109.17 3ktm n VAL 76 Ca 0.06 -0.05 -0.23 0.00 -2.04 0.00 0.00 64.34 62.08 3ktm n VAL 76 Cb 0.12 0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 3ktm n VAL 76 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3ktm n TYR 77 N -1.61 2.44 0.12 6.34 4.01 -0.51 -4.93 117.16 123.03 3ktm n TYR 77 Ca 0.05 -3.85 0.15 0.00 -0.16 0.00 0.00 57.90 54.08 3ktm n TYR 77 Cb 0.35 -0.44 0.67 0.00 -0.31 0.00 0.00 39.34 39.62 3ktm n TYR 77 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ktm h PRO 78 N 2.97 0.00 -0.13 -0.72 0.13 -1.63 -1.95 132.00 130.67 3ktm h PRO 78 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ktm h PRO 78 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3ktm h PRO 78 CO 0.69 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 3ktm n GLU 79 N -4.44 1.45 -4.45 0.86 1.02 -1.26 -4.86 120.64 108.96 3ktm n GLU 79 Ca 0.04 -0.69 -0.28 0.00 -0.02 0.00 0.00 57.16 56.21 3ktm n GLU 79 Cb 0.37 -1.29 -0.13 0.00 -0.02 0.00 0.00 31.44 30.37 3ktm n GLU 79 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ktm s LEU 80 N -1.39 2.28 -1.02 -4.62 1.43 -0.73 -5.07 118.68 109.56 3ktm s LEU 80 Ca 0.25 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 3ktm s LEU 80 Cb 0.13 -1.14 0.17 0.00 0.03 0.00 0.00 46.19 45.38 3ktm s LEU 80 CO 0.20 0.16 1.18 -1.58 0.23 0.00 0.00 176.35 176.54 3ktm s GLN 81 N -1.86 3.82 -0.18 1.70 0.74 -1.26 -4.97 119.66 117.64 3ktm s GLN 81 Ca 0.12 -2.27 -0.29 0.00 0.05 0.00 0.00 55.36 52.97 3ktm s GLN 81 Cb -0.10 -4.86 -0.02 0.00 1.10 0.00 0.00 33.01 29.13 3ktm s GLN 81 CO 0.05 -1.65 1.40 0.42 -0.55 0.00 0.00 175.29 174.95 3ktm s ILE 82 N 1.60 4.03 -0.58 -2.34 -1.09 -1.26 0.18 121.20 121.74 3ktm s ILE 82 Ca 0.34 1.22 0.06 0.00 -2.23 0.00 0.00 60.65 60.04 3ktm s ILE 82 Cb -0.05 -3.89 0.10 0.00 -1.58 0.00 0.00 42.46 37.04 3ktm s ILE 82 CO -0.06 -0.22 0.92 0.35 -1.23 0.00 0.00 174.94 174.70 3ktm n THR 83 N 5.74 0.53 0.00 2.92 -2.24 0.69 -4.90 114.28 117.01 3ktm n THR 83 Ca 0.15 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3ktm n THR 83 Cb 0.45 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3ktm n THR 83 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ktm n ASN 84 N 0.16 0.00 -4.07 3.42 2.85 -1.17 -4.99 115.26 111.47 3ktm n ASN 84 Ca 0.05 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.44 3ktm n ASN 84 Cb 0.25 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.17 3ktm n ASN 84 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3ktm s VAL 85 N -2.00 0.20 -0.26 3.44 -7.23 -1.26 -0.08 120.40 113.21 3ktm s VAL 85 Ca 0.00 -1.64 -0.25 0.00 -1.81 0.00 0.00 61.98 58.28 3ktm s VAL 85 Cb 0.00 -1.29 0.08 0.00 0.56 0.00 0.00 36.38 35.72 3ktm s VAL 85 CO 0.00 -0.90 0.75 0.54 -0.31 0.00 0.00 175.10 175.18 3ktm s VAL 86 N -3.48 0.00 0.43 1.32 0.11 -1.03 -3.42 120.40 114.33 3ktm s VAL 86 Ca 0.03 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.82 3ktm s VAL 86 Cb 0.05 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.81 3ktm s VAL 86 CO -0.08 0.00 1.43 -1.61 -3.33 0.00 0.00 175.10 171.51 3ktm s GLU 87 N 0.25 3.80 0.81 1.54 8.01 -1.26 -0.45 118.70 131.40 3ktm s GLU 87 Ca -0.00 2.43 -0.12 0.00 0.01 0.00 0.00 54.97 57.29 3ktm s GLU 87 Cb -0.05 -2.73 0.08 0.00 -4.31 0.00 0.00 34.13 27.12 3ktm s GLU 87 CO 0.01 -0.73 1.11 0.00 0.01 0.00 0.00 175.26 175.66 3ktm s ALA 88 N -1.19 2.25 0.05 5.21 0.00 -0.70 -4.76 121.76 122.63 3ktm s ALA 88 Ca 0.59 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 3ktm s ALA 88 Cb -0.44 -3.08 -0.31 0.00 0.00 0.00 0.00 23.12 19.29 3ktm s ALA 88 CO 0.57 -1.76 1.08 -0.91 0.00 0.00 0.00 175.76 174.74 3ktm h ASN 89 N -1.12 0.75 -4.13 0.00 2.35 -1.94 -3.46 115.58 108.04 3ktm h ASN 89 Ca -0.47 -0.76 -0.64 0.00 -0.55 0.00 0.00 56.30 53.88 3ktm h ASN 89 Cb 1.28 -0.24 -0.23 0.00 0.05 0.00 0.00 38.32 39.17 3ktm h ASN 89 CO 0.60 1.58 -0.86 -1.10 -1.65 0.00 0.00 177.43 176.01 3ktm s GLN 90 N -2.76 1.40 0.84 0.81 -1.52 -1.26 -5.11 119.66 112.06 3ktm s GLN 90 Ca -0.08 -1.18 -0.11 0.00 -1.95 0.00 0.00 55.36 52.05 3ktm s GLN 90 Cb 0.05 -1.71 0.10 0.00 -0.22 0.00 0.00 33.01 31.24 3ktm s GLN 90 CO 0.93 0.42 1.13 -1.25 -0.25 0.00 0.00 175.29 176.26 3ktm s PRO 91 N -1.70 1.63 0.09 2.91 0.04 -1.26 -4.62 135.00 132.09 3ktm s PRO 91 Ca 0.10 1.42 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3ktm s PRO 91 Cb -0.10 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 3ktm s PRO 91 CO 0.04 -2.16 -0.10 0.54 0.04 0.00 0.00 177.00 175.37 3ktm s VAL 92 N -2.69 0.88 -0.27 -0.36 0.11 0.17 -4.89 120.40 113.35 3ktm s VAL 92 Ca 0.65 -1.60 -0.19 0.00 -2.93 0.00 0.00 61.98 57.92 3ktm s VAL 92 Cb -0.21 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.32 3ktm s VAL 92 CO 0.56 -0.56 0.55 -0.89 -3.33 0.00 0.00 175.10 171.42 3ktm s THR 93 N -2.40 5.04 -0.20 5.04 2.01 -1.26 -1.36 115.64 122.50 3ktm s THR 93 Ca 0.04 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.93 3ktm s THR 93 Cb -0.03 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.63 3ktm s THR 93 CO -0.00 0.03 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.18 3ktm s ILE 94 N 2.38 2.38 0.39 1.82 1.01 -0.17 -4.92 121.20 124.09 3ktm s ILE 94 Ca 0.22 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 3ktm s ILE 94 Cb -0.15 -2.08 -0.07 0.00 0.01 0.00 0.00 42.46 40.16 3ktm s ILE 94 CO 0.10 0.43 0.78 -1.10 0.00 0.00 0.00 174.94 175.14 3ktm s GLN 95 N 1.31 3.86 -0.61 2.79 -0.21 -1.26 -1.73 119.66 123.81 3ktm s GLN 95 Ca 0.03 0.57 -0.16 0.00 0.02 0.00 0.00 55.36 55.83 3ktm s GLN 95 Cb -0.14 -2.38 0.02 0.00 1.00 0.00 0.00 33.01 31.51 3ktm s GLN 95 CO -0.10 0.00 0.64 0.09 -2.12 0.00 0.00 175.29 173.81 3ktm n ASN 96 N -1.04 -6.31 -4.90 5.90 3.02 -1.24 -4.99 115.26 105.69 3ktm n ASN 96 Ca 0.03 -0.21 -0.28 0.00 -0.03 0.00 0.00 54.58 54.09 3ktm n ASN 96 Cb 0.54 -3.20 0.07 0.00 -0.61 0.00 0.00 39.78 36.58 3ktm n ASN 96 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3ktm s TRP 97 N -2.44 3.08 0.19 3.10 0.52 -1.26 -4.83 118.94 117.31 3ktm s TRP 97 Ca 0.18 0.76 0.11 0.00 0.02 0.00 0.00 56.10 57.16 3ktm s TRP 97 Cb -0.03 -3.24 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 3ktm s TRP 97 CO 0.83 -1.44 -0.22 0.00 0.02 0.00 0.00 176.95 176.14 3ktm s LYS 99 N -2.80 3.48 0.18 0.00 1.02 -1.15 -0.34 119.74 120.13 3ktm s LYS 99 Ca 0.20 -0.46 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 3ktm s LYS 99 Cb -0.07 -2.78 -0.17 0.00 -0.52 0.00 0.00 37.83 34.29 3ktm s LYS 99 CO 0.09 0.30 0.59 -2.13 -0.92 0.00 0.00 175.35 173.28 3ktm n ARG 100 N -1.36 0.01 0.00 1.68 0.63 -1.26 -1.08 116.66 115.27 3ktm n ARG 100 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 3ktm n ARG 100 Cb 0.56 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.40 3ktm n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ktm n GLY 101 N 1.94 2.24 3.44 5.14 0.00 0.50 -4.46 105.19 113.99 3ktm n GLY 101 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3ktm n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktm n ARG 102 N -2.00 -4.52 -0.04 1.61 1.74 -0.24 -4.87 116.66 108.34 3ktm n ARG 102 Ca 0.00 0.63 -0.13 0.00 -0.77 0.00 0.00 57.85 57.59 3ktm n ARG 102 Cb 0.00 -5.44 -0.14 0.00 -1.02 0.00 0.00 32.46 25.85 3ktm n ARG 102 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3ktm n LYS 103 N -4.12 0.67 -3.96 5.56 4.81 -1.26 -4.78 118.16 115.08 3ktm n LYS 103 Ca -0.02 0.23 -0.31 0.00 -0.87 0.00 0.00 58.31 57.34 3ktm n LYS 103 Cb 0.56 -1.71 -0.15 0.00 0.02 0.00 0.00 35.03 33.75 3ktm n LYS 103 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3ktm s GLN 104 N -2.56 1.65 -0.08 1.64 -0.21 -1.26 -4.98 119.66 113.85 3ktm s GLN 104 Ca -0.12 -1.21 0.12 0.00 0.02 0.00 0.00 55.36 54.17 3ktm s GLN 104 Cb 0.07 -2.70 0.18 0.00 1.00 0.00 0.00 33.01 31.57 3ktm s GLN 104 CO 0.80 -0.68 1.07 0.00 -2.12 0.00 0.00 175.29 174.36 3ktm s LYS 106 N -1.93 3.22 0.28 0.00 1.02 -1.26 -3.98 119.74 117.09 3ktm s LYS 106 Ca 0.20 -0.51 -0.05 0.00 0.02 0.00 0.00 55.97 55.63 3ktm s LYS 106 Cb 0.17 -3.95 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 3ktm s LYS 106 CO 0.02 -0.94 0.39 -0.08 -0.92 0.00 0.00 175.35 173.81 3ktm s THR 107 N 2.56 0.00 0.07 2.17 -1.32 -1.26 -4.95 115.64 112.91 3ktm s THR 107 Ca 0.19 -1.65 -0.30 0.00 -1.21 0.00 0.00 61.69 58.71 3ktm s THR 107 Cb -0.15 -2.46 -0.05 0.00 -1.51 0.00 0.00 72.50 68.32 3ktm s THR 107 CO 0.17 0.00 1.11 -1.00 -2.21 0.00 0.00 174.62 172.69 3ktm s HIS 108 N -3.63 3.55 0.91 9.09 3.76 -1.26 -3.71 115.29 124.00 3ktm s HIS 108 Ca 0.30 1.49 -0.13 0.00 -0.15 0.00 0.00 55.06 56.58 3ktm s HIS 108 Cb 0.01 -3.29 0.05 0.00 1.11 0.00 0.00 32.58 30.46 3ktm s HIS 108 CO 0.15 -0.73 0.59 -0.35 -0.85 0.00 0.00 174.74 173.55 3ktm n PRO 109 N 3.53 -0.22 -4.08 8.40 -0.04 -1.26 -4.68 135.00 136.65 3ktm n PRO 109 Ca 0.07 -0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 3ktm n PRO 109 Cb 0.48 -1.97 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 3ktm n PRO 109 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3ktm s HIS 110 N -2.36 0.47 -0.33 0.54 3.76 -0.71 -4.94 115.29 111.72 3ktm s HIS 110 Ca 0.60 -0.24 -0.17 0.00 -0.15 0.00 0.00 55.06 55.10 3ktm s HIS 110 Cb -0.23 -0.29 -0.01 0.00 1.11 0.00 0.00 32.58 33.15 3ktm s HIS 110 CO 0.64 -0.04 0.45 0.12 -0.85 0.00 0.00 174.74 175.05 3ktm s PHE 111 N -0.61 3.20 0.03 1.40 5.99 -1.26 -1.00 117.98 125.73 3ktm s PHE 111 Ca -0.03 0.16 -0.00 0.00 0.00 0.00 0.00 56.93 57.05 3ktm s PHE 111 Cb -0.05 -2.80 -0.03 0.00 0.00 0.00 0.00 43.02 40.15 3ktm s PHE 111 CO -0.00 -0.46 -0.03 0.14 -0.00 0.00 0.00 175.22 174.87 3ktm s VAL 112 N 2.23 0.17 -0.37 3.12 -7.23 -0.46 -4.90 120.40 112.96 3ktm s VAL 112 Ca 0.16 -1.24 -0.16 0.00 -1.81 0.00 0.00 61.98 58.93 3ktm s VAL 112 Cb -0.16 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.06 3ktm s VAL 112 CO 0.12 -0.67 0.42 -0.63 -0.31 0.00 0.00 175.10 174.03 3ktm s ILE 113 N -2.32 5.11 1.05 -0.62 1.09 -1.26 0.41 121.20 124.66 3ktm s ILE 113 Ca -0.08 -0.03 -0.12 0.00 -1.10 0.00 0.00 60.65 59.32 3ktm s ILE 113 Cb -0.04 -3.92 0.22 0.00 -1.06 0.00 0.00 42.46 37.66 3ktm s ILE 113 CO -0.04 -0.23 1.07 -2.84 -0.10 0.00 0.00 174.94 172.80 3ktm s PRO 114 N 2.14 0.02 -0.14 2.79 0.02 -1.26 -4.80 135.00 133.77 3ktm s PRO 114 Ca 0.13 0.62 0.00 0.00 0.02 0.00 0.00 61.00 61.78 3ktm s PRO 114 Cb -0.16 -1.68 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 3ktm s PRO 114 CO 0.13 -3.03 -0.15 0.71 -0.33 0.00 0.00 177.00 174.33 3ktm s TYR 115 N -2.81 2.78 -0.08 6.54 1.51 0.11 -1.72 117.35 123.68 3ktm s TYR 115 Ca 0.66 -0.88 -0.29 0.00 -1.01 0.00 0.00 57.07 55.56 3ktm s TYR 115 Cb -0.20 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3ktm s TYR 115 CO 0.60 -0.37 0.95 1.03 -1.11 0.00 0.00 175.55 176.65 3ktm s ARG 116 N 0.61 4.45 -0.49 -0.62 0.52 0.41 -1.11 118.95 122.71 3ktm s ARG 116 Ca -0.08 1.31 -0.25 0.00 -0.52 0.00 0.00 55.73 56.19 3ktm s ARG 116 Cb -0.16 -3.52 0.03 0.00 0.52 0.00 0.00 34.95 31.83 3ktm s ARG 116 CO 0.03 -0.21 0.91 0.00 0.02 0.00 0.00 175.30 176.05 3ktm s LEU 118 N 3.77 4.27 0.03 0.00 1.43 0.88 -4.64 118.68 124.42 3ktm s LEU 118 Ca 0.34 1.47 -0.04 0.00 -1.03 0.00 0.00 54.13 54.86 3ktm s LEU 118 Cb -0.11 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 3ktm s LEU 118 CO 0.24 -0.36 0.25 -0.69 0.23 0.00 0.00 176.35 176.02 3ktm s VAL 119 N 1.65 5.33 0.00 -1.59 1.01 -1.26 -0.22 120.40 125.31 3ktm s VAL 119 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3ktm s VAL 119 Cb -0.19 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3ktm s VAL 119 CO 0.20 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3ktm n GLY 120 N 0.79 2.36 3.70 4.51 0.00 0.13 -4.54 105.19 112.13 3ktm n GLY 120 Ca -0.09 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3ktm n GLY 120 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ktm s GLU 121 N 0.00 4.45 0.11 1.61 2.12 -1.26 -4.63 118.70 121.10 3ktm s GLU 121 Ca 0.00 1.27 -0.31 0.00 0.36 0.00 0.00 54.97 56.29 3ktm s GLU 121 Cb 0.00 -3.50 -0.08 0.00 0.26 0.00 0.00 34.13 30.81 3ktm s GLU 121 CO 0.00 -0.17 1.37 0.12 -0.54 0.00 0.00 175.26 176.04 3ktm s PHE 122 N 1.51 3.27 -0.03 5.30 5.36 -1.26 -5.04 117.98 127.09 3ktm s PHE 122 Ca 0.46 0.99 0.01 0.00 -0.96 0.00 0.00 56.93 57.44 3ktm s PHE 122 Cb -0.19 -3.65 0.01 0.00 -0.34 0.00 0.00 43.02 38.85 3ktm s PHE 122 CO 0.21 -2.26 -0.04 0.08 -1.46 0.00 0.00 175.22 171.75 3ktm s VAL 123 N 1.09 0.43 0.23 3.12 1.01 -1.26 -5.05 120.40 119.97 3ktm s VAL 123 Ca 0.64 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 3ktm s VAL 123 Cb -0.36 -0.43 -0.15 0.00 0.00 0.00 0.00 36.38 35.44 3ktm s VAL 123 CO 0.30 0.17 1.08 -1.20 0.00 0.00 0.00 175.10 175.45 3ktm n SER 124 N 3.65 1.32 -4.74 3.32 7.64 -1.26 -4.94 113.62 118.61 3ktm n SER 124 Ca -0.21 1.16 -0.32 0.00 1.01 0.00 0.00 58.87 60.51 3ktm n SER 124 Cb 0.53 -1.26 0.11 0.00 -1.01 0.00 0.00 64.21 62.58 3ktm n SER 124 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3ktm s ASP 125 N -0.29 4.11 -0.12 6.43 1.01 -1.26 -5.00 116.67 121.55 3ktm s ASP 125 Ca 0.65 2.03 -0.12 0.00 0.71 0.00 0.00 52.55 55.82 3ktm s ASP 125 Cb -0.77 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 40.57 3ktm s ASP 125 CO 0.56 -2.31 0.27 0.00 0.21 0.00 0.00 175.17 173.90 3ktm s ALA 126 N -2.62 3.69 -0.04 5.23 0.00 -1.26 -5.00 121.76 121.76 3ktm s ALA 126 Ca 0.65 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.21 3ktm s ALA 126 Cb -0.21 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 3ktm s ALA 126 CO 0.53 0.31 -0.20 -0.51 0.00 0.00 0.00 175.76 175.89 3ktm s LEU 127 N -0.25 2.40 0.01 0.00 1.43 -1.26 -5.11 118.68 115.90 3ktm s LEU 127 Ca 0.17 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 3ktm s LEU 127 Cb -0.13 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3ktm s LEU 127 CO 0.06 0.33 0.95 -0.76 0.23 0.00 0.00 176.35 177.15 3ktm s LEU 128 N -0.64 4.38 -0.64 1.79 1.43 -1.26 -5.01 118.68 118.73 3ktm s LEU 128 Ca 0.10 1.62 -0.09 0.00 -1.03 0.00 0.00 54.13 54.74 3ktm s LEU 128 Cb -0.11 -3.52 0.17 0.00 0.03 0.00 0.00 46.19 42.76 3ktm s LEU 128 CO 0.00 -0.22 0.52 -0.69 0.23 0.00 0.00 176.35 176.19 3ktm s VAL 129 N 0.86 4.52 1.19 -1.59 1.01 -1.26 -4.97 120.40 120.16 3ktm s VAL 129 Ca 0.50 -2.39 -0.15 0.00 0.00 0.00 0.00 61.98 59.94 3ktm s VAL 129 Cb -0.21 -3.90 0.28 0.00 0.00 0.00 0.00 36.38 32.56 3ktm s VAL 129 CO 0.27 -0.89 1.03 -2.16 0.00 0.00 0.00 175.10 173.35 3ktm s PRO 130 N 0.51 -1.11 0.22 2.72 0.04 -1.26 -4.85 135.00 131.27 3ktm s PRO 130 Ca 0.13 0.48 -0.32 0.00 0.04 0.00 0.00 61.00 61.34 3ktm s PRO 130 Cb -0.19 -1.56 -0.14 0.00 0.04 0.00 0.00 34.50 32.65 3ktm s PRO 130 CO -0.04 -3.76 1.39 -3.47 0.04 0.00 0.00 177.00 171.16 3ktm n ASP 131 N -4.89 2.60 0.00 6.66 4.64 -1.26 -1.94 116.55 122.36 3ktm n ASP 131 Ca 0.06 1.14 0.00 0.00 -1.38 0.00 0.00 54.79 54.61 3ktm n ASP 131 Cb 0.57 -1.40 0.00 0.00 -1.04 0.00 0.00 41.12 39.25 3ktm n ASP 131 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3ktm n LYS 132 N 2.11 0.00 -2.72 -0.67 5.02 -1.26 -4.91 118.16 115.74 3ktm n LYS 132 Ca 0.12 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.18 3ktm n LYS 132 Cb 0.30 -2.84 0.03 0.00 -0.02 0.00 0.00 35.03 32.50 3ktm n LYS 132 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ktm s LYS 134 N -4.75 1.06 -0.25 0.00 2.20 -0.42 -4.86 119.74 112.73 3ktm s LYS 134 Ca 0.53 -0.99 -0.09 0.00 -0.36 0.00 0.00 55.97 55.05 3ktm s LYS 134 Cb -0.10 -1.19 -0.04 0.00 -1.51 0.00 0.00 37.83 34.98 3ktm s LYS 134 CO 0.40 0.28 0.13 0.12 -0.36 0.00 0.00 175.35 175.93 3ktm s PHE 135 N -1.06 3.21 0.18 4.03 2.19 -1.26 -1.44 117.98 123.82 3ktm s PHE 135 Ca 0.04 -0.01 0.05 0.00 0.33 0.00 0.00 56.93 57.34 3ktm s PHE 135 Cb -0.09 -2.28 -0.05 0.00 -1.31 0.00 0.00 43.02 39.29 3ktm s PHE 135 CO 0.03 -0.12 -0.10 -0.51 1.83 0.00 0.00 175.22 176.35 3ktm s LEU 136 N 1.38 2.49 -0.10 6.12 2.01 0.73 -5.00 118.68 126.31 3ktm s LEU 136 Ca 0.06 -1.05 -0.18 0.00 0.01 0.00 0.00 54.13 52.97 3ktm s LEU 136 Cb -0.15 -0.42 0.04 0.00 0.01 0.00 0.00 46.19 45.67 3ktm s LEU 136 CO 0.06 -0.32 0.45 -1.38 1.01 0.00 0.00 176.35 176.17 3ktm s HIS 137 N -3.24 -0.43 -0.04 0.29 -3.43 -1.26 0.88 115.29 108.05 3ktm s HIS 137 Ca 0.20 0.92 0.01 0.00 -0.80 0.00 0.00 55.06 55.39 3ktm s HIS 137 Cb 0.02 0.19 0.02 0.00 -1.43 0.00 0.00 32.58 31.38 3ktm s HIS 137 CO 0.04 -0.35 -0.05 -1.14 -2.00 0.00 0.00 174.74 171.23 3ktm s GLN 138 N -0.48 0.84 -0.03 -0.38 0.74 0.19 -4.98 119.66 115.56 3ktm s GLN 138 Ca -0.06 -0.14 -0.00 0.00 0.05 0.00 0.00 55.36 55.20 3ktm s GLN 138 Cb -0.03 -0.82 0.03 0.00 1.10 0.00 0.00 33.01 33.28 3ktm s GLN 138 CO 0.03 -0.04 0.02 -1.83 -0.55 0.00 0.00 175.29 172.93 3ktm s GLU 139 N 0.74 0.14 -0.31 1.67 1.03 -1.26 -0.10 118.70 120.60 3ktm s GLU 139 Ca -0.10 0.18 0.02 0.00 0.03 0.00 0.00 54.97 55.10 3ktm s GLU 139 Cb -0.13 -0.45 0.08 0.00 -0.80 0.00 0.00 34.13 32.83 3ktm s GLU 139 CO 0.00 -0.20 -0.01 1.03 -1.33 0.00 0.00 175.26 174.76 3ktm s ARG 140 N 1.35 1.99 0.02 -4.83 0.52 -0.37 -4.99 118.95 112.64 3ktm s ARG 140 Ca -0.05 -1.56 0.07 0.00 -0.52 0.00 0.00 55.73 53.66 3ktm s ARG 140 Cb -0.13 -3.12 0.29 0.00 0.52 0.00 0.00 34.95 32.52 3ktm s ARG 140 CO -0.03 -0.75 1.21 -1.33 0.02 0.00 0.00 175.30 174.42 3ktm n MET 141 N 4.42 0.01 -0.06 3.54 2.81 -1.26 -1.97 117.12 124.60 3ktm n MET 141 Ca -0.07 0.42 0.10 0.00 -1.81 0.00 0.00 57.70 56.34 3ktm n MET 141 Cb 0.42 -1.53 0.12 0.00 -0.71 0.00 0.00 33.22 31.52 3ktm n MET 141 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3ktm n ASP 142 N -1.55 2.88 -4.61 7.83 3.85 -1.26 -4.97 116.55 118.71 3ktm n ASP 142 Ca 0.01 -1.87 -0.25 0.00 -0.71 0.00 0.00 54.79 51.97 3ktm n ASP 142 Cb 0.07 -0.08 -0.08 0.00 -1.35 0.00 0.00 41.12 39.67 3ktm n ASP 142 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3ktm s VAL 143 N -1.55 3.31 -0.45 2.12 1.01 -0.83 -5.09 120.40 118.92 3ktm s VAL 143 Ca 0.27 -1.81 0.05 0.00 0.00 0.00 0.00 61.98 60.49 3ktm s VAL 143 Cb 0.18 -2.71 0.18 0.00 0.00 0.00 0.00 36.38 34.03 3ktm s VAL 143 CO 0.26 -0.26 0.51 0.00 0.00 0.00 0.00 175.10 175.61 3ktm s GLU 145 N 0.62 2.40 0.82 0.00 0.41 -0.79 -4.79 118.70 117.38 3ktm s GLU 145 Ca 0.29 -1.45 -0.10 0.00 -0.41 0.00 0.00 54.97 53.30 3ktm s GLU 145 Cb -0.01 -2.64 0.12 0.00 -1.78 0.00 0.00 34.13 29.82 3ktm s GLU 145 CO -0.11 -0.75 1.15 0.95 -0.49 0.00 0.00 175.26 176.01 3ktm s THR 146 N -2.63 2.11 0.16 3.63 -4.23 -1.26 -0.60 115.64 112.81 3ktm s THR 146 Ca 0.60 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 3ktm s THR 146 Cb -0.07 -2.93 -0.00 0.00 1.34 0.00 0.00 72.50 70.84 3ktm s THR 146 CO 0.38 0.00 1.54 -0.74 -0.54 0.00 0.00 174.62 175.26 3ktm h HIS 147 N -1.03 1.14 -0.60 3.99 -0.00 -1.96 -2.90 115.15 113.78 3ktm h HIS 147 Ca -0.43 -0.28 0.01 0.00 -0.00 0.00 0.00 60.37 59.66 3ktm h HIS 147 Cb 1.28 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 28.40 3ktm h HIS 147 CO -0.28 1.11 0.40 1.25 -0.00 0.00 0.00 177.93 180.41 3ktm h LEU 148 N 0.84 0.69 0.23 0.26 5.85 -1.95 -0.41 115.31 120.83 3ktm h LEU 148 Ca 0.11 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3ktm h LEU 148 Cb 0.81 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3ktm h LEU 148 CO 0.07 0.50 -0.35 -0.74 -0.34 0.00 0.00 178.44 177.57 3ktm h HIS 149 N 0.82 -0.97 0.00 1.25 2.76 -1.91 -1.31 115.15 115.78 3ktm h HIS 149 Ca 0.22 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 3ktm h HIS 149 Cb -0.09 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 3ktm h HIS 149 CO -0.03 -0.48 -0.17 -1.49 -1.30 0.00 0.00 177.93 174.46 3ktm h TRP 150 N -0.65 0.00 -0.53 5.26 4.06 -1.31 0.07 115.95 122.86 3ktm h TRP 150 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 3ktm h TRP 150 Cb 0.64 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 3ktm h TRP 150 CO -0.26 0.17 0.18 1.25 -3.56 0.00 0.00 178.44 176.23 3ktm h HIS 151 N 0.00 0.83 -0.03 0.49 2.76 -0.65 -1.38 115.15 117.18 3ktm h HIS 151 Ca -0.00 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.09 3ktm h HIS 151 Cb 0.31 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 3ktm h HIS 151 CO 0.00 0.70 0.01 1.15 -1.30 0.00 0.00 177.93 178.49 3ktm h THR 152 N 0.72 1.15 -0.90 6.26 2.02 -0.03 -0.34 112.91 121.78 3ktm h THR 152 Ca 0.17 -0.43 0.11 0.00 0.77 0.00 0.00 66.41 67.04 3ktm h THR 152 Cb 0.24 1.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.97 3ktm h THR 152 CO -0.01 0.12 0.58 0.58 0.37 0.00 0.00 175.52 177.16 3ktm h VAL 153 N -0.13 0.92 -0.22 3.16 2.07 -0.89 0.15 116.25 121.31 3ktm h VAL 153 Ca 0.01 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 3ktm h VAL 153 Cb 0.18 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3ktm h VAL 153 CO -0.00 0.15 -0.15 0.00 0.02 0.00 0.00 177.57 177.59 3ktm h ALA 154 N 1.57 0.31 -0.29 1.67 0.00 -0.94 -1.56 119.26 120.01 3ktm h ALA 154 Ca 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ktm h ALA 154 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ktm h ALA 154 CO -0.20 0.20 0.13 -0.22 0.00 0.00 0.00 179.25 179.17 3ktm h LYS 155 N 0.18 0.43 0.00 0.00 3.64 -0.14 -2.36 116.57 118.32 3ktm h LYS 155 Ca 0.04 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 3ktm h LYS 155 Cb 0.67 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3ktm h LYS 155 CO 0.04 0.43 -0.56 1.05 -2.27 0.00 0.00 179.45 178.14 3ktm h GLU 156 N 0.33 0.00 -0.09 1.90 4.11 -0.79 -2.10 114.58 117.94 3ktm h GLU 156 Ca 0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.44 3ktm h GLU 156 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3ktm h GLU 156 CO -0.01 0.56 -0.37 1.15 0.07 0.00 0.00 179.01 180.41 3ktm h THR 157 N 0.00 1.29 -0.04 -1.06 2.02 -1.08 0.15 112.91 114.20 3ktm h THR 157 Ca -0.01 -1.39 -0.24 0.00 0.77 0.00 0.00 66.41 65.55 3ktm h THR 157 Cb 1.08 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 69.13 3ktm h THR 157 CO 0.07 0.41 -0.93 0.00 0.37 0.00 0.00 175.52 175.45 3ktm h SER 159 N 0.37 -0.04 -0.45 0.00 0.02 -0.95 0.96 113.55 113.45 3ktm h SER 159 Ca -0.09 -0.02 0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3ktm h SER 159 Cb 1.56 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.09 3ktm h SER 159 CO 0.18 -0.00 0.42 -0.33 -1.14 0.00 0.00 176.83 175.96 3ktm h GLU 160 N -0.07 0.00 -0.62 3.45 5.08 -1.06 0.90 114.58 122.26 3ktm h GLU 160 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ktm h GLU 160 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ktm h GLU 160 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3ktm n LYS 161 N -3.90 4.53 -3.88 2.33 5.02 -0.88 -4.93 118.16 116.44 3ktm n LYS 161 Ca 0.08 -2.92 -0.25 0.00 -2.02 0.00 0.00 58.31 53.19 3ktm n LYS 161 Cb 0.62 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 3ktm n LYS 161 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ktm n SER 162 N 0.65 -1.48 -4.08 4.39 7.64 0.31 -4.98 113.62 116.07 3ktm n SER 162 Ca 0.26 -0.91 -0.15 0.00 1.01 0.00 0.00 58.87 59.08 3ktm n SER 162 Cb 1.10 -3.50 -0.10 0.00 -1.01 0.00 0.00 64.21 60.70 3ktm n SER 162 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ktm s THR 163 N -3.71 0.14 -0.06 0.44 -4.23 0.28 -4.61 115.64 103.88 3ktm s THR 163 Ca 0.16 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.69 3ktm s THR 163 Cb -0.08 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 3ktm s THR 163 CO 0.86 0.00 -0.11 0.21 -0.54 0.00 0.00 174.62 175.04 3ktm s ASN 164 N -3.24 4.33 -0.24 3.99 2.47 0.17 -3.10 114.94 119.31 3ktm s ASN 164 Ca 0.39 -0.12 -0.29 0.00 0.42 0.00 0.00 52.86 53.26 3ktm s ASN 164 Cb 0.06 -1.05 -0.01 0.00 -1.45 0.00 0.00 41.25 38.80 3ktm s ASN 164 CO 0.15 0.34 1.46 -0.22 -3.72 0.00 0.00 177.10 175.11 3ktm s LEU 165 N -0.69 3.92 -0.14 3.21 2.96 -1.26 0.42 118.68 127.10 3ktm s LEU 165 Ca 0.10 1.47 -0.06 0.00 -0.22 0.00 0.00 54.13 55.42 3ktm s LEU 165 Cb -0.11 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.80 3ktm s LEU 165 CO 0.01 -1.14 0.27 1.57 -1.32 0.00 0.00 176.35 175.75 3ktm n HIS 166 N 7.94 1.07 -3.57 5.38 -0.00 0.73 -4.94 115.22 121.83 3ktm n HIS 166 Ca 0.17 0.24 -0.08 0.00 -0.00 0.00 0.00 57.72 58.04 3ktm n HIS 166 Cb 0.46 -1.14 -0.02 0.00 -0.00 0.00 0.00 29.99 29.29 3ktm n HIS 166 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3ktm s ASP 167 N -6.97 -0.36 0.26 0.26 3.68 -1.21 -5.00 116.67 107.33 3ktm s ASP 167 Ca -0.25 -0.14 -0.21 0.00 2.13 0.00 0.00 52.55 54.08 3ktm s ASP 167 Cb 0.07 0.49 0.04 0.00 -1.45 0.00 0.00 42.92 42.07 3ktm s ASP 167 CO 0.74 -0.83 0.81 -0.72 0.13 0.00 0.00 175.17 175.29 3ktm s TYR 168 N -3.38 -0.11 0.08 -5.34 1.13 -1.26 -0.83 117.35 107.65 3ktm s TYR 168 Ca 0.06 -0.35 -0.22 0.00 -1.41 0.00 0.00 57.07 55.16 3ktm s TYR 168 Cb -0.02 0.72 0.05 0.00 -1.10 0.00 0.00 41.96 41.61 3ktm s TYR 168 CO -0.06 -1.18 0.52 0.20 -2.51 0.00 0.00 175.55 172.52 3ktm s GLY 169 N -2.98 -0.45 0.64 5.49 0.00 0.23 -4.98 107.32 105.27 3ktm s GLY 169 Ca 0.13 0.47 -0.12 0.00 0.00 0.00 0.00 44.72 45.20 3ktm s GLY 169 CO 0.07 0.17 1.04 1.06 0.00 0.00 0.00 173.10 175.44 3ktm s MET 170 N -2.97 3.27 0.08 2.90 -1.94 -1.26 -1.30 119.30 118.08 3ktm s MET 170 Ca -0.02 0.95 0.02 0.00 -1.71 0.00 0.00 55.69 54.93 3ktm s MET 170 Cb -0.00 -2.03 -0.03 0.00 2.01 0.00 0.00 34.83 34.77 3ktm s MET 170 CO -0.06 -0.84 -0.08 -0.51 -0.01 0.00 0.00 175.02 173.52 3ktm s LEU 171 N -5.12 2.40 -0.37 -0.03 1.43 -1.01 -4.57 118.68 111.41 3ktm s LEU 171 Ca 0.58 -0.80 -0.33 0.00 -1.03 0.00 0.00 54.13 52.55 3ktm s LEU 171 Cb -0.13 -0.17 0.05 0.00 0.03 0.00 0.00 46.19 45.97 3ktm s LEU 171 CO 0.49 -0.32 0.55 0.18 0.23 0.00 0.00 176.35 177.48 3ktm n LEU 172 N 0.63 -2.17 -4.75 1.79 4.77 -1.26 -2.57 117.00 113.42 3ktm n LEU 172 Ca -0.17 -0.12 -0.37 0.00 -0.03 0.00 0.00 56.01 55.32 3ktm n LEU 172 Cb 0.58 -1.37 0.03 0.00 -2.33 0.00 0.00 43.42 40.32 3ktm n LEU 172 CO 0.26 -0.05 0.90 -2.16 -1.33 0.00 0.00 177.39 175.01 3ktm s PRO 173 N -2.06 3.22 0.00 3.23 0.04 -1.26 -0.56 135.00 137.61 3ktm s PRO 173 Ca 0.32 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3ktm s PRO 173 Cb -0.03 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3ktm s PRO 173 CO 0.72 -1.06 0.48 0.00 0.04 0.00 0.00 177.00 177.18 3ktm n GLY 175 N -0.05 -0.41 3.58 0.00 0.00 -1.11 -4.93 105.19 102.27 3ktm n GLY 175 Ca 0.00 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 3ktm n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ktm s ILE 176 N -2.00 3.15 -1.26 -0.61 1.09 -1.26 -1.50 121.20 118.80 3ktm s ILE 176 Ca 0.00 0.13 -0.04 0.00 -1.10 0.00 0.00 60.65 59.63 3ktm s ILE 176 Cb 0.00 -3.26 0.00 0.00 -1.06 0.00 0.00 42.46 38.15 3ktm s ILE 176 CO 0.00 -0.21 0.58 -0.67 -0.10 0.00 0.00 174.94 174.55 3ktm n ASP 177 N 12.88 -5.39 -4.04 3.58 -0.08 -1.22 -4.89 116.55 117.39 3ktm n ASP 177 Ca 0.29 -0.27 -0.26 0.00 -1.51 0.00 0.00 54.79 53.05 3ktm n ASP 177 Cb 0.49 -4.19 -0.17 0.00 2.34 0.00 0.00 41.12 39.59 3ktm n ASP 177 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3ktm s LYS 178 N -5.59 1.87 0.10 -0.67 -0.14 -0.56 -4.14 119.74 110.61 3ktm s LYS 178 Ca 0.29 -0.47 0.04 0.00 -1.36 0.00 0.00 55.97 54.47 3ktm s LYS 178 Cb -0.13 -1.54 -0.04 0.00 -1.68 0.00 0.00 37.83 34.45 3ktm s LYS 178 CO 0.36 0.03 -0.10 -0.06 -0.76 0.00 0.00 175.35 174.81 3ktm s PHE 179 N 0.69 1.11 -2.46 3.18 0.40 0.23 -0.26 117.98 120.86 3ktm s PHE 179 Ca -0.14 -0.65 0.23 0.00 -0.60 0.00 0.00 56.93 55.77 3ktm s PHE 179 Cb -0.16 -0.60 0.51 0.00 0.51 0.00 0.00 43.02 43.28 3ktm s PHE 179 CO 0.03 0.02 1.44 0.54 0.70 0.00 0.00 175.22 177.95 3ktm n ARG 180 N 0.51 2.24 -2.50 0.44 1.74 0.28 -1.88 116.66 117.49 3ktm n ARG 180 Ca -0.16 -1.87 -0.00 0.00 -0.77 0.00 0.00 57.85 55.05 3ktm n ARG 180 Cb 0.58 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.55 3ktm n ARG 180 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ktm n GLY 181 N 1.37 0.85 3.46 -0.13 0.00 -1.12 -1.24 105.19 108.39 3ktm n GLY 181 Ca 0.18 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 3ktm n GLY 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktm s VAL 182 N -2.29 0.01 -0.04 1.61 0.11 0.85 -2.41 120.40 118.25 3ktm s VAL 182 Ca 0.10 -0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 3ktm s VAL 182 Cb -0.01 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 3ktm s VAL 182 CO 0.01 -0.05 -0.22 -1.83 -3.33 0.00 0.00 175.10 169.69 3ktm s GLU 183 N -0.62 2.07 0.29 1.54 -1.05 -0.42 0.57 118.70 121.09 3ktm s GLU 183 Ca -0.07 -0.79 -0.10 0.00 -0.15 0.00 0.00 54.97 53.86 3ktm s GLU 183 Cb -0.03 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.82 3ktm s GLU 183 CO 0.05 0.39 0.51 -0.59 0.95 0.00 0.00 175.26 176.57 3ktm s PHE 184 N -0.26 0.57 -0.13 4.83 -0.71 0.25 -0.60 117.98 121.93 3ktm s PHE 184 Ca 0.01 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 54.98 3ktm s PHE 184 Cb -0.11 0.17 0.02 0.00 -1.21 0.00 0.00 43.02 41.89 3ktm s PHE 184 CO 0.01 -1.10 -0.11 0.08 -1.34 0.00 0.00 175.22 172.76 3ktm s VAL 185 N -3.51 1.35 -0.05 -2.49 1.01 -0.01 -0.20 120.40 116.50 3ktm s VAL 185 Ca 0.24 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3ktm s VAL 185 Cb -0.01 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3ktm s VAL 185 CO 0.13 0.42 0.23 0.00 0.00 0.00 0.00 175.10 175.88 3ktm s PRO 188 N -4.01 4.13 0.11 0.00 0.02 -1.26 0.42 135.00 134.42 3ktm s PRO 188 Ca 0.34 2.57 -0.30 0.00 0.02 0.00 0.00 61.00 63.62 3ktm s PRO 188 Cb 0.07 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.44 3ktm s PRO 188 CO 0.11 -0.68 1.59 -0.07 -0.33 0.00 0.00 177.00 177.62 3ktm h LEU 189 N 5.87 -1.20 -1.71 -5.54 3.38 -1.90 -3.43 115.31 110.77 3ktm h LEU 189 Ca -0.45 0.14 -0.40 0.00 0.09 0.00 0.00 57.88 57.26 3ktm h LEU 189 Cb 1.21 0.46 0.08 0.00 0.09 0.00 0.00 40.66 42.50 3ktm h LEU 189 CO 0.88 -0.47 -0.81 0.00 0.09 0.00 0.00 178.44 178.12 3ktm n ALA 190 N -2.83 -1.99 -2.50 1.53 0.00 -1.26 -4.96 120.51 108.50 3ktm n ALA 190 Ca -0.07 -0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 3ktm n ALA 190 Cb 0.37 -2.17 -0.15 0.00 0.00 0.00 0.00 19.45 17.50 3ktm n ALA 190 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ktm s ILE 191 N -3.57 1.47 -0.53 0.00 1.01 -1.26 -5.10 121.20 113.21 3ktm s ILE 191 Ca 0.03 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 59.47 3ktm s ILE 191 Cb -0.01 -1.26 0.03 0.00 0.01 0.00 0.00 42.46 41.24 3ktm s ILE 191 CO 0.79 0.28 1.01 -0.70 0.00 0.00 0.00 174.94 176.32 3ktm s GLU 192 N -0.78 3.44 0.51 2.79 2.56 -1.26 -5.04 118.70 120.92 3ktm s GLU 192 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.97 54.97 3ktm s GLU 192 Cb -0.08 -4.01 0.12 0.00 2.00 0.00 0.00 34.13 32.16 3ktm s GLU 192 CO 0.00 -1.46 0.70 0.41 -0.56 0.00 0.00 175.26 174.35 3ktm n GLY 193 N 5.05 -0.93 3.62 -1.50 0.00 -1.26 -5.12 105.19 105.05 3ktm n GLY 193 Ca 0.05 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 3ktm n GLY 193 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ktm s ARG 194 N -4.46 1.38 0.14 1.61 1.70 -1.26 -5.18 118.95 112.87 3ktm s ARG 194 Ca 0.41 -0.64 0.01 0.00 -0.47 0.00 0.00 55.73 55.03 3ktm s ARG 194 Cb -0.01 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 3ktm s ARG 194 CO 0.28 -0.62 0.01 0.15 -1.08 0.00 0.00 175.30 174.04 3ktm s LYS 195 N -3.66 0.97 -0.11 3.89 1.02 -1.26 -5.16 119.74 115.43 3ktm s LYS 195 Ca 0.06 -1.45 -0.04 0.00 0.02 0.00 0.00 55.97 54.57 3ktm s LYS 195 Cb -0.03 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 3ktm s LYS 195 CO -0.04 -0.15 0.04 -1.17 -0.92 0.00 0.00 175.35 173.10 3ktm s LEU 196 N -3.09 3.77 -0.51 3.17 2.96 -1.26 -5.07 118.68 118.65 3ktm s LEU 196 Ca 0.21 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3ktm s LEU 196 Cb 0.07 -1.89 0.13 0.00 0.50 0.00 0.00 46.19 45.00 3ktm s LEU 196 CO 0.01 0.36 0.30 0.00 -1.32 0.00 0.00 176.35 175.69 3ktm s ALA 197 N -0.73 3.34 0.00 5.97 0.00 -1.26 -5.39 121.76 123.68 3ktm s ALA 197 Ca 0.12 -2.96 0.00 0.00 0.00 0.00 0.00 51.96 49.12 3ktm s ALA 197 Cb -0.12 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3ktm s ALA 197 CO 0.02 -1.95 0.44 0.00 0.00 0.00 0.00 175.76 174.28