#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oc8 h GLY 18 N 0.00 0.81 1.43 5.00 0.00 -1.83 -2.93 103.07 105.55 1oc8 h GLY 18 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1oc8 h GLY 18 CO 0.00 0.15 -0.08 -2.00 0.00 0.00 0.00 176.54 174.61 1oc8 h LEU 19 N 0.59 0.66 -2.11 3.11 5.85 -1.88 -2.29 115.31 119.24 1oc8 h LEU 19 Ca 0.25 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1oc8 h LEU 19 Cb 0.13 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1oc8 h LEU 19 CO -0.15 0.78 0.17 0.50 -0.34 0.00 0.00 178.44 179.40 1oc8 h LYS 20 N 0.63 0.00 0.00 1.25 1.63 -1.86 0.49 116.57 118.72 1oc8 h LYS 20 Ca 0.12 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1oc8 h LYS 20 Cb 0.51 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1oc8 h LYS 20 CO 0.03 0.00 -0.04 0.87 -3.45 0.00 0.00 179.45 176.86 1oc8 h LYS 21 N 0.00 0.00 0.00 1.90 1.79 -1.27 -2.00 116.57 116.99 1oc8 h LYS 21 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1oc8 h LYS 21 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1oc8 h LYS 21 CO -0.00 0.04 0.00 1.19 -1.08 0.00 0.00 179.45 179.60 1oc8 n PHE 22 N -3.24 0.00 -3.18 -1.35 3.01 0.16 -4.25 117.46 108.62 1oc8 n PHE 22 Ca -0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.21 1oc8 n PHE 22 Cb 0.22 -0.47 -0.05 0.00 -0.01 0.00 0.00 39.48 39.16 1oc8 n PHE 22 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1oc8 n PHE 23 N -1.47 2.01 0.31 1.38 3.72 -0.75 -4.82 117.46 117.83 1oc8 n PHE 23 Ca 0.08 -3.90 0.14 0.00 -0.05 0.00 0.00 57.45 53.72 1oc8 n PHE 23 Cb 0.32 -0.46 0.62 0.00 -0.94 0.00 0.00 39.48 39.02 1oc8 n PHE 23 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oc8 h PRO 24 N 3.50 0.00 -0.00 -1.08 0.13 -1.74 -3.18 132.00 129.63 1oc8 h PRO 24 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1oc8 h PRO 24 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1oc8 h PRO 24 CO 0.66 0.00 -0.05 0.66 -0.23 0.00 0.00 178.00 179.05 1oc8 n TYR 25 N -2.48 0.00 -5.06 1.56 4.01 -1.26 -5.00 117.16 108.93 1oc8 n TYR 25 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1oc8 n TYR 25 Cb 0.18 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.04 1oc8 n TYR 25 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1oc8 s SER 26 N -0.61 2.74 0.03 7.72 0.01 -1.20 -4.96 113.70 117.43 1oc8 s SER 26 Ca 0.03 -0.49 0.22 0.00 1.31 0.00 0.00 55.95 57.02 1oc8 s SER 26 Cb 0.02 -1.21 -0.19 0.00 0.21 0.00 0.00 66.02 64.85 1oc8 s SER 26 CO 0.07 0.13 0.75 0.35 0.41 0.00 0.00 173.24 174.95 1oc8 n THR 27 N 3.55 0.13 -4.28 1.44 -2.24 -1.26 -4.86 114.28 106.76 1oc8 n THR 27 Ca -0.20 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 60.99 1oc8 n THR 27 Cb 0.53 0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 68.78 1oc8 n THR 27 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1oc8 s ASN 28 N -4.29 2.34 0.15 3.42 0.01 -1.26 -0.09 114.94 115.22 1oc8 s ASN 28 Ca -0.02 -0.77 0.06 0.00 -0.71 0.00 0.00 52.86 51.42 1oc8 s ASN 28 Cb 0.14 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.64 1oc8 s ASN 28 CO 0.86 -0.04 -0.12 0.68 -1.51 0.00 0.00 177.10 176.97 1oc8 s VAL 29 N -1.71 1.36 0.38 1.60 -7.23 -0.30 -4.65 120.40 109.86 1oc8 s VAL 29 Ca 0.09 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.08 1oc8 s VAL 29 Cb -0.07 -1.79 -0.10 0.00 0.56 0.00 0.00 36.38 34.97 1oc8 s VAL 29 CO 0.04 -0.61 0.86 -0.76 -0.31 0.00 0.00 175.10 174.33 1oc8 s LEU 30 N -2.98 4.01 -0.19 1.32 1.43 0.22 -1.03 118.68 121.47 1oc8 s LEU 30 Ca 0.16 1.52 -0.05 0.00 -1.03 0.00 0.00 54.13 54.73 1oc8 s LEU 30 Cb -0.01 -4.32 0.07 0.00 0.03 0.00 0.00 46.19 41.97 1oc8 s LEU 30 CO 0.03 -0.28 0.11 -0.75 0.23 0.00 0.00 176.35 175.69 1oc8 s LYS 31 N -3.04 0.09 0.26 1.70 2.47 -0.82 -2.07 119.74 118.34 1oc8 s LYS 31 Ca 0.58 -0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.86 1oc8 s LYS 31 Cb -0.10 -1.66 0.00 0.00 -1.46 0.00 0.00 37.83 34.61 1oc8 s LYS 31 CO 0.15 -0.73 0.00 0.41 0.16 0.00 0.00 175.35 175.35 1oc8 n GLY 32 N 5.28 -1.41 3.77 5.54 0.00 -1.25 -3.61 105.19 113.51 1oc8 n GLY 32 Ca -0.07 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1oc8 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oc8 s ALA 33 N -4.07 2.50 0.00 4.61 0.00 -1.26 -3.22 121.76 120.32 1oc8 s ALA 33 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1oc8 s ALA 33 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1oc8 s ALA 33 CO 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 175.76 174.55 1oc8 n ALA 34 N -2.27 0.00 -2.76 0.00 0.00 -1.26 -4.99 120.51 109.22 1oc8 n ALA 34 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 1oc8 n ALA 34 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1oc8 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oc8 s ALA 35 N -0.48 3.87 0.09 0.00 0.00 -1.20 -5.05 121.76 118.99 1oc8 s ALA 35 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1oc8 s ALA 35 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1oc8 s ALA 35 CO 0.00 0.72 -0.06 0.16 0.00 0.00 0.00 175.76 176.57 1oc8 s ASP 36 N -2.32 1.06 0.04 0.00 1.47 -1.26 -1.94 116.67 113.72 1oc8 s ASP 36 Ca 0.37 -1.00 0.01 0.00 1.18 0.00 0.00 52.55 53.10 1oc8 s ASP 36 Cb -0.13 0.11 -0.03 0.00 -0.34 0.00 0.00 42.92 42.53 1oc8 s ASP 36 CO 0.24 -0.48 -0.05 0.27 0.68 0.00 0.00 175.17 175.84 1oc8 s ILE 37 N -3.62 0.29 0.29 2.11 -4.36 -0.19 -4.92 121.20 110.80 1oc8 s ILE 37 Ca 0.11 -1.16 -0.30 0.00 -0.26 0.00 0.00 60.65 59.04 1oc8 s ILE 37 Cb 0.05 -0.64 -0.11 0.00 1.25 0.00 0.00 42.46 43.01 1oc8 s ILE 37 CO -0.05 -0.56 1.60 0.00 0.24 0.00 0.00 174.94 176.17 1oc8 s ALA 38 N -1.93 3.75 -0.42 2.27 0.00 -1.26 -1.14 121.76 123.02 1oc8 s ALA 38 Ca -0.09 1.58 -0.44 0.00 0.00 0.00 0.00 51.96 53.01 1oc8 s ALA 38 Cb -0.06 -3.65 -0.18 0.00 0.00 0.00 0.00 23.12 19.22 1oc8 s ALA 38 CO -0.02 -0.99 1.71 -0.11 0.00 0.00 0.00 175.76 176.35 1oc8 n LEU 39 N 2.20 1.61 -4.85 0.00 7.94 0.87 -4.79 117.00 119.97 1oc8 n LEU 39 Ca 0.08 1.09 -0.31 0.00 -1.11 0.00 0.00 56.01 55.76 1oc8 n LEU 39 Cb 0.37 -0.98 -0.02 0.00 0.53 0.00 0.00 43.42 43.32 1oc8 n LEU 39 CO 0.64 -0.69 0.66 -2.16 -1.11 0.00 0.00 177.39 174.73 1oc8 s PRO 40 N 3.53 3.83 0.13 1.96 0.04 -1.26 -4.99 135.00 138.24 1oc8 s PRO 40 Ca 1.04 0.83 0.09 0.00 0.04 0.00 0.00 61.00 63.00 1oc8 s PRO 40 Cb -1.34 -2.15 -0.16 0.00 0.04 0.00 0.00 34.50 30.89 1oc8 s PRO 40 CO 0.74 -0.33 1.24 0.66 0.04 0.00 0.00 177.00 179.36 1oc8 h SER 41 N 0.60 0.00 -6.37 6.66 4.64 -2.01 -3.47 113.55 113.60 1oc8 h SER 41 Ca -0.46 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.36 1oc8 h SER 41 Cb 1.19 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.16 1oc8 h SER 41 CO 0.62 0.90 -0.76 0.18 -0.87 0.00 0.00 176.83 176.90 1oc8 n LEU 42 N -3.29 -2.05 -4.70 5.97 4.77 -1.26 -4.81 117.00 111.63 1oc8 n LEU 42 Ca -0.01 -0.82 -0.43 0.00 -0.03 0.00 0.00 56.01 54.72 1oc8 n LEU 42 Cb 0.91 -2.30 -0.01 0.00 -2.33 0.00 0.00 43.42 39.69 1oc8 n LEU 42 CO 0.46 0.35 0.92 0.00 -1.33 0.00 0.00 177.39 177.78 1oc8 n ALA 43 N -4.40 1.32 0.00 -1.18 0.00 -1.26 -1.61 120.51 113.38 1oc8 n ALA 43 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1oc8 n ALA 43 Cb 0.51 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1oc8 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oc8 n GLY 44 N 0.90 2.30 3.94 0.00 0.00 -1.26 -4.99 105.19 106.08 1oc8 n GLY 44 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1oc8 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oc8 s LYS 45 N 0.00 3.11 -0.14 1.61 1.02 -0.63 -4.94 119.74 119.77 1oc8 s LYS 45 Ca 0.00 -0.34 -0.14 0.00 0.02 0.00 0.00 55.97 55.51 1oc8 s LYS 45 Cb 0.00 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1oc8 s LYS 45 CO 0.00 -0.31 0.31 0.99 -0.92 0.00 0.00 175.35 175.42 1oc8 s THR 46 N -2.63 5.28 -0.17 2.17 2.01 -0.99 -1.95 115.64 119.36 1oc8 s THR 46 Ca 0.49 0.58 -0.01 0.00 0.31 0.00 0.00 61.69 63.06 1oc8 s THR 46 Cb -0.10 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 1oc8 s THR 46 CO 0.40 0.42 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.93 1oc8 s VAL 47 N 0.21 2.85 -0.25 3.82 1.01 0.69 -1.24 120.40 127.49 1oc8 s VAL 47 Ca 0.18 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1oc8 s VAL 47 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1oc8 s VAL 47 CO 0.05 0.50 0.14 -0.36 0.00 0.00 0.00 175.10 175.43 1oc8 s PHE 48 N 0.95 3.23 -0.23 5.22 0.08 0.27 -0.24 117.98 127.26 1oc8 s PHE 48 Ca -0.02 0.04 -0.17 0.00 0.12 0.00 0.00 56.93 56.90 1oc8 s PHE 48 Cb -0.15 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.99 1oc8 s PHE 48 CO -0.01 -0.08 0.47 -0.06 -0.10 0.00 0.00 175.22 175.43 1oc8 s PHE 49 N 1.32 3.31 -0.38 0.36 0.40 -0.15 0.43 117.98 123.28 1oc8 s PHE 49 Ca 0.06 0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 56.98 1oc8 s PHE 49 Cb -0.15 -2.65 0.08 0.00 0.51 0.00 0.00 43.02 40.82 1oc8 s PHE 49 CO 0.06 -0.17 0.16 -0.47 0.70 0.00 0.00 175.22 175.49 1oc8 s TYR 50 N 1.90 3.40 -0.29 0.36 5.04 0.23 -1.84 117.35 126.16 1oc8 s TYR 50 Ca 0.21 -1.92 -0.22 0.00 -2.44 0.00 0.00 57.07 52.70 1oc8 s TYR 50 Cb -0.15 -2.76 -0.01 0.00 0.35 0.00 0.00 41.96 39.39 1oc8 s TYR 50 CO 0.09 -0.87 0.72 -0.06 -1.34 0.00 0.00 175.55 174.10 1oc8 s PHE 51 N 1.28 3.23 0.27 4.97 0.40 0.21 -0.62 117.98 127.71 1oc8 s PHE 51 Ca 0.02 0.79 -0.20 0.00 -0.60 0.00 0.00 56.93 56.94 1oc8 s PHE 51 Cb -0.22 -3.07 0.02 0.00 0.51 0.00 0.00 43.02 40.26 1oc8 s PHE 51 CO -0.01 -0.48 0.69 0.45 0.70 0.00 0.00 175.22 176.57 1oc8 s SER 52 N 1.57 -0.26 0.08 1.36 0.15 -1.01 -2.42 113.70 113.16 1oc8 s SER 52 Ca 0.30 -0.60 -0.26 0.00 0.70 0.00 0.00 55.95 56.09 1oc8 s SER 52 Cb -0.15 0.71 0.08 0.00 -1.71 0.00 0.00 66.02 64.95 1oc8 s SER 52 CO 0.11 -1.30 0.73 0.00 1.20 0.00 0.00 173.24 173.98 1oc8 s ALA 53 N -3.92 -1.71 0.52 5.45 0.00 -1.26 -1.16 121.76 119.69 1oc8 s ALA 53 Ca 0.11 0.77 0.19 0.00 0.00 0.00 0.00 51.96 53.04 1oc8 s ALA 53 Cb -0.05 0.61 1.37 0.00 0.00 0.00 0.00 23.12 25.05 1oc8 s ALA 53 CO 0.06 -0.70 2.15 0.66 0.00 0.00 0.00 175.76 177.92 1oc8 h SER 54 N 2.06 0.00 -0.11 0.00 4.64 -1.91 -3.05 113.55 115.17 1oc8 h SER 54 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1oc8 h SER 54 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1oc8 h SER 54 CO 0.35 0.03 0.00 -2.67 -0.87 0.00 0.00 176.83 173.67 1oc8 n TRP 55 N -4.33 0.21 -4.00 4.77 4.27 -1.26 -4.77 117.44 112.33 1oc8 n TRP 55 Ca -0.03 -0.09 -0.32 0.00 -3.89 0.00 0.00 57.50 53.17 1oc8 n TRP 55 Cb 0.11 -0.05 -0.15 0.00 -1.36 0.00 0.00 31.31 29.87 1oc8 n TRP 55 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1oc8 h PRO 57 N 7.75 0.38 0.00 0.00 0.11 -1.89 -1.75 132.00 136.59 1oc8 h PRO 57 Ca -0.12 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 1oc8 h PRO 57 Cb 1.03 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1oc8 h PRO 57 CO 0.52 0.25 -0.18 -1.00 -0.21 0.00 0.00 178.00 177.37 1oc8 h PRO 58 N 0.39 0.00 -0.37 1.05 0.13 -1.95 -1.58 132.00 129.67 1oc8 h PRO 58 Ca 0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1oc8 h PRO 58 Cb 0.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.18 1oc8 h PRO 58 CO -0.11 0.18 0.22 0.00 -0.23 0.00 0.00 178.00 178.06 1oc8 h ARG 60 N 0.48 0.54 0.04 0.00 2.43 -0.43 0.88 114.38 118.33 1oc8 h ARG 60 Ca 0.13 -0.09 -0.24 0.00 -0.81 0.00 0.00 59.98 58.97 1oc8 h ARG 60 Cb 0.01 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1oc8 h ARG 60 CO -0.02 0.50 -1.04 0.00 -1.51 0.00 0.00 179.97 177.90 1oc8 h ALA 61 N 1.57 0.27 0.20 2.80 0.00 -1.15 -3.36 119.26 119.59 1oc8 h ALA 61 Ca 0.13 -0.75 -0.32 0.00 0.00 0.00 0.00 54.91 53.97 1oc8 h ALA 61 Cb 0.20 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1oc8 h ALA 61 CO -0.00 0.83 -1.46 0.35 0.00 0.00 0.00 179.25 178.97 1oc8 h PHE 62 N 0.20 0.76 -0.71 0.00 3.57 -0.74 -3.38 116.94 116.64 1oc8 h PHE 62 Ca -0.10 -0.55 0.14 0.00 3.53 0.00 0.00 57.97 60.98 1oc8 h PHE 62 Cb 1.69 -0.03 -0.14 0.00 2.79 0.00 0.00 35.95 40.27 1oc8 h PHE 62 CO 0.07 1.48 -0.21 1.15 -2.23 0.00 0.00 178.31 178.56 1oc8 h THR 63 N 0.11 0.24 -0.46 4.41 2.02 -0.99 0.81 112.91 119.06 1oc8 h THR 63 Ca -0.23 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.96 1oc8 h THR 63 Cb 2.09 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1oc8 h THR 63 CO 0.23 0.00 0.31 -0.65 0.37 0.00 0.00 175.52 175.78 1oc8 h PRO 64 N -0.03 0.59 -0.43 6.66 0.11 -1.77 0.33 132.00 137.46 1oc8 h PRO 64 Ca 0.33 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.29 1oc8 h PRO 64 Cb 0.54 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1oc8 h PRO 64 CO -0.75 0.39 -0.19 1.96 -0.21 0.00 0.00 178.00 179.20 1oc8 h GLN 65 N 0.61 0.83 -0.23 1.05 4.20 -1.09 -0.89 115.11 119.59 1oc8 h GLN 65 Ca 0.17 -0.33 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 1oc8 h GLN 65 Cb -0.04 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1oc8 h GLN 65 CO -0.04 0.95 -0.54 1.25 -0.67 0.00 0.00 178.83 179.79 1oc8 h LEU 66 N 0.73 0.75 -0.43 1.46 5.85 -0.25 -1.80 115.31 121.62 1oc8 h LEU 66 Ca 0.11 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1oc8 h LEU 66 Cb 0.71 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1oc8 h LEU 66 CO 0.05 1.14 0.15 0.40 -0.34 0.00 0.00 178.44 179.84 1oc8 h ILE 67 N 0.52 1.21 -0.75 4.05 2.04 -0.24 0.10 117.51 124.45 1oc8 h ILE 67 Ca 0.01 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1oc8 h ILE 67 Cb 1.11 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1oc8 h ILE 67 CO 0.11 0.25 0.49 0.44 0.00 0.00 0.00 178.15 179.44 1oc8 h ASP 68 N 0.56 0.87 -0.56 1.72 3.32 -1.07 -1.65 116.42 119.61 1oc8 h ASP 68 Ca 0.14 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1oc8 h ASP 68 Cb 0.24 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1oc8 h ASP 68 CO -0.01 0.64 0.05 0.15 -1.72 0.00 0.00 179.24 178.35 1oc8 h PHE 69 N 1.02 1.04 0.01 4.55 3.04 -1.07 -2.44 116.94 123.08 1oc8 h PHE 69 Ca 0.27 -0.16 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 1oc8 h PHE 69 Cb -0.10 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.13 1oc8 h PHE 69 CO -0.02 0.92 -0.00 -0.92 -2.02 0.00 0.00 178.31 176.27 1oc8 h TYR 70 N 0.85 -0.01 -0.35 0.41 3.20 -0.63 -0.10 116.97 120.35 1oc8 h TYR 70 Ca 0.17 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1oc8 h TYR 70 Cb 0.47 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1oc8 h TYR 70 CO 0.03 0.04 -0.06 1.57 -1.64 0.00 0.00 178.16 178.10 1oc8 h LYS 71 N -0.06 0.57 0.00 1.82 -0.00 -1.25 -0.02 116.57 117.63 1oc8 h LYS 71 Ca -0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 1oc8 h LYS 71 Cb 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.21 1oc8 h LYS 71 CO 0.00 0.64 -0.53 0.00 -0.00 0.00 0.00 179.45 179.56 1oc8 h ALA 72 N 1.41 0.71 0.00 0.07 0.00 -1.17 -3.40 119.26 116.88 1oc8 h ALA 72 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1oc8 h ALA 72 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1oc8 h ALA 72 CO 0.02 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.99 1oc8 n HIS 73 N -2.60 0.00 -0.10 0.00 8.25 -0.08 -4.89 115.22 115.80 1oc8 n HIS 73 Ca 0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.43 1oc8 n HIS 73 Cb 0.50 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 1oc8 n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oc8 h ALA 74 N 0.00 -0.40 0.84 -1.41 0.00 -1.12 0.19 119.26 117.35 1oc8 h ALA 74 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1oc8 h ALA 74 Cb 0.04 0.99 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1oc8 h ALA 74 CO 0.00 -0.54 -0.40 1.49 0.00 0.00 0.00 179.25 179.79 1oc8 h GLU 75 N -0.11 -1.09 -0.65 0.00 4.57 -1.85 -0.28 114.58 115.18 1oc8 h GLU 75 Ca 0.05 0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.39 1oc8 h GLU 75 Cb 0.23 0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 1oc8 h GLU 75 CO -0.31 -0.72 0.29 -0.22 -1.18 0.00 0.00 179.01 176.87 1oc8 h LYS 76 N -1.28 0.49 -0.00 1.92 1.63 -1.90 -0.77 116.57 116.66 1oc8 h LYS 76 Ca -0.12 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 1oc8 h LYS 76 Cb 0.87 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1oc8 h LYS 76 CO 0.19 0.32 -0.03 1.63 -3.45 0.00 0.00 179.45 178.12 1oc8 n LYS 77 N -4.92 0.38 -3.46 1.90 4.01 0.65 -4.96 118.16 111.75 1oc8 n LYS 77 Ca 0.09 -0.03 -0.23 0.00 -0.51 0.00 0.00 58.31 57.64 1oc8 n LYS 77 Cb 0.26 -1.50 0.06 0.00 -0.51 0.00 0.00 35.03 33.34 1oc8 n LYS 77 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1oc8 n ASN 78 N -1.28 -5.83 -4.17 4.39 5.15 -0.17 -4.83 115.26 108.51 1oc8 n ASN 78 Ca 0.13 -0.85 -0.11 0.00 -0.60 0.00 0.00 54.58 53.15 1oc8 n ASN 78 Cb 0.26 -4.34 -0.10 0.00 -0.53 0.00 0.00 39.78 35.08 1oc8 n ASN 78 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1oc8 s PHE 79 N -3.43 0.96 0.13 1.20 -0.12 -0.88 -2.34 117.98 113.50 1oc8 s PHE 79 Ca 0.45 -1.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.15 1oc8 s PHE 79 Cb -0.11 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1oc8 s PHE 79 CO 0.80 -0.46 -0.05 -2.00 -0.05 0.00 0.00 175.22 173.46 1oc8 s GLU 80 N -4.03 0.98 -0.02 1.99 2.56 -0.37 -4.73 118.70 115.08 1oc8 s GLU 80 Ca 0.25 -1.43 0.04 0.00 0.00 0.00 0.00 54.97 53.84 1oc8 s GLU 80 Cb 0.07 -0.32 -0.01 0.00 2.00 0.00 0.00 34.13 35.87 1oc8 s GLU 80 CO 0.03 -0.03 -0.15 0.08 -0.56 0.00 0.00 175.26 174.62 1oc8 s VAL 81 N -3.57 1.21 -0.07 3.70 1.01 -1.26 -0.56 120.40 120.86 1oc8 s VAL 81 Ca 0.17 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1oc8 s VAL 81 Cb 0.05 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1oc8 s VAL 81 CO -0.01 0.35 -0.08 -0.32 0.00 0.00 0.00 175.10 175.04 1oc8 s MET 82 N -0.25 1.33 -0.07 2.72 1.75 0.17 -1.89 119.30 123.06 1oc8 s MET 82 Ca 0.04 -0.26 -0.30 0.00 -1.25 0.00 0.00 55.69 53.92 1oc8 s MET 82 Cb -0.07 -1.22 -0.02 0.00 2.84 0.00 0.00 34.83 36.35 1oc8 s MET 82 CO -0.00 -0.07 1.12 -1.17 -0.65 0.00 0.00 175.02 174.25 1oc8 s LEU 83 N 0.96 4.27 -0.35 4.11 2.96 0.16 -0.60 118.68 130.19 1oc8 s LEU 83 Ca -0.10 1.70 -0.04 0.00 -0.22 0.00 0.00 54.13 55.47 1oc8 s LEU 83 Cb -0.15 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.05 1oc8 s LEU 83 CO 0.00 -0.52 0.12 -0.63 -1.32 0.00 0.00 176.35 174.00 1oc8 s ILE 84 N 2.10 3.44 -0.07 6.68 -1.09 0.21 -1.60 121.20 130.86 1oc8 s ILE 84 Ca 0.53 -1.50 -0.23 0.00 -2.23 0.00 0.00 60.65 57.22 1oc8 s ILE 84 Cb -0.22 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 1oc8 s ILE 84 CO 0.20 -0.34 0.68 -0.55 -1.23 0.00 0.00 174.94 173.71 1oc8 s SER 85 N 1.56 6.95 -0.25 3.58 0.15 -1.26 -2.39 113.70 122.04 1oc8 s SER 85 Ca 0.00 1.15 0.11 0.00 0.70 0.00 0.00 55.95 57.91 1oc8 s SER 85 Cb -0.21 -2.40 0.72 0.00 -1.71 0.00 0.00 66.02 62.42 1oc8 s SER 85 CO -0.00 -0.11 1.66 0.79 1.20 0.00 0.00 173.24 176.78 1oc8 n TRP 86 N 3.79 2.05 -1.19 3.44 7.02 -0.30 -4.96 117.44 127.29 1oc8 n TRP 86 Ca -0.02 -0.84 -0.32 0.00 -1.02 0.00 0.00 57.50 55.30 1oc8 n TRP 86 Cb 0.51 -0.55 0.11 0.00 -2.42 0.00 0.00 31.31 28.97 1oc8 n TRP 86 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1oc8 s ASP 87 N -0.76 3.99 0.26 -0.99 1.01 -1.26 -4.88 116.67 114.03 1oc8 s ASP 87 Ca 0.50 2.10 0.21 0.00 0.71 0.00 0.00 52.55 56.07 1oc8 s ASP 87 Cb 0.39 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.85 1oc8 s ASP 87 CO 0.14 -2.39 1.22 -0.33 0.21 0.00 0.00 175.17 174.02 1oc8 h GLU 88 N -1.00 0.00 -3.50 8.23 3.07 -1.96 -3.48 114.58 115.94 1oc8 h GLU 88 Ca -0.45 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.36 1oc8 h GLU 88 Cb 1.26 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 29.06 1oc8 h GLU 88 CO 0.48 0.09 -0.10 -1.54 -1.40 0.00 0.00 179.01 176.54 1oc8 s SER 89 N -5.78 -0.16 0.32 1.42 1.04 -1.26 -5.04 113.70 104.23 1oc8 s SER 89 Ca 0.02 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.91 1oc8 s SER 89 Cb 0.08 0.51 0.53 0.00 0.10 0.00 0.00 66.02 67.24 1oc8 s SER 89 CO 0.75 -0.96 1.86 0.00 0.98 0.00 0.00 173.24 175.87 1oc8 h ALA 90 N 2.34 1.32 -0.23 5.32 0.00 -1.97 -1.30 119.26 124.75 1oc8 h ALA 90 Ca -0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1oc8 h ALA 90 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1oc8 h ALA 90 CO 0.43 0.47 0.05 0.93 0.00 0.00 0.00 179.25 181.13 1oc8 h GLU 91 N 0.61 0.37 -0.64 0.00 3.07 -2.00 -0.90 114.58 115.10 1oc8 h GLU 91 Ca 0.13 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1oc8 h GLU 91 Cb 0.31 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1oc8 h GLU 91 CO 0.01 0.49 0.30 -0.44 -1.40 0.00 0.00 179.01 177.97 1oc8 h ASP 92 N 0.19 0.84 -0.05 1.42 5.19 -1.90 -2.61 116.42 119.50 1oc8 h ASP 92 Ca 0.07 -0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1oc8 h ASP 92 Cb 0.29 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 1oc8 h ASP 92 CO 0.00 0.74 -0.09 0.15 -3.12 0.00 0.00 179.24 176.92 1oc8 h PHE 93 N 0.88 -0.22 -0.38 4.55 3.57 -1.02 -1.08 116.94 123.24 1oc8 h PHE 93 Ca 0.22 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.77 1oc8 h PHE 93 Cb 0.13 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1oc8 h PHE 93 CO 0.00 -0.13 0.13 -0.22 -2.23 0.00 0.00 178.31 175.86 1oc8 h LYS 94 N -0.13 0.28 -0.12 1.11 3.64 -0.90 0.78 116.57 121.23 1oc8 h LYS 94 Ca 0.05 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1oc8 h LYS 94 Cb 0.20 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1oc8 h LYS 94 CO -0.12 0.18 -0.39 -0.44 -2.27 0.00 0.00 179.45 176.41 1oc8 h ASP 95 N 0.28 0.27 0.06 4.20 3.32 -1.38 -2.51 116.42 120.66 1oc8 h ASP 95 Ca 0.17 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 1oc8 h ASP 95 Cb 0.15 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.65 1oc8 h ASP 95 CO -0.18 0.64 -0.79 0.22 -1.72 0.00 0.00 179.24 177.41 1oc8 h TYR 96 N 0.22 0.68 0.00 4.55 3.20 -0.33 -3.30 116.97 121.99 1oc8 h TYR 96 Ca 0.02 -0.41 -0.09 0.00 3.14 0.00 0.00 58.73 61.39 1oc8 h TYR 96 Cb 0.79 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1oc8 h TYR 96 CO 0.01 1.26 -0.42 -0.92 -1.64 0.00 0.00 178.16 176.46 1oc8 h TYR 97 N -0.09 0.00 -0.14 -3.82 3.20 -0.90 -3.19 116.97 112.03 1oc8 h TYR 97 Ca -0.12 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.79 1oc8 h TYR 97 Cb 1.53 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 1oc8 h TYR 97 CO 0.15 0.42 0.19 0.00 -1.64 0.00 0.00 178.16 177.28 1oc8 h ALA 98 N 1.58 1.65 -0.41 1.82 0.00 -1.52 -0.80 119.26 121.58 1oc8 h ALA 98 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1oc8 h ALA 98 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1oc8 h ALA 98 CO 0.05 -0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.67 1oc8 n LYS 99 N -3.60 3.68 -4.58 0.00 5.02 -1.20 -4.89 118.16 112.59 1oc8 n LYS 99 Ca 0.01 -2.19 -0.25 0.00 -2.02 0.00 0.00 58.31 53.85 1oc8 n LYS 99 Cb 0.30 -2.02 -0.14 0.00 -0.02 0.00 0.00 35.03 33.15 1oc8 n LYS 99 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1oc8 s MET 100 N -2.20 1.34 0.00 1.97 -1.94 -0.31 -5.07 119.30 113.10 1oc8 s MET 100 Ca 0.38 -0.99 0.26 0.00 -1.71 0.00 0.00 55.69 53.63 1oc8 s MET 100 Cb 0.29 -1.49 0.70 0.00 2.01 0.00 0.00 34.83 36.34 1oc8 s MET 100 CO 0.12 0.37 1.53 -0.35 -0.01 0.00 0.00 175.02 176.68 1oc8 n PRO 101 N 1.70 0.69 0.00 2.03 -0.04 -1.26 -4.75 135.00 133.37 1oc8 n PRO 101 Ca -0.18 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1oc8 n PRO 101 Cb 0.53 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1oc8 n PRO 101 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1oc8 n TRP 102 N -0.80 0.00 -2.98 0.54 2.14 -1.26 -4.80 117.44 110.28 1oc8 n TRP 102 Ca 0.11 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.45 1oc8 n TRP 102 Cb 0.35 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 30.86 1oc8 n TRP 102 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1oc8 s LEU 103 N 0.00 3.64 -0.04 5.67 1.43 -0.79 -3.95 118.68 124.64 1oc8 s LEU 103 Ca 0.00 0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1oc8 s LEU 103 Cb 0.00 -3.16 0.02 0.00 0.03 0.00 0.00 46.19 43.08 1oc8 s LEU 103 CO 0.00 -0.71 0.21 0.00 0.23 0.00 0.00 176.35 176.09 1oc8 s ALA 104 N -2.56 -0.53 0.06 4.21 0.00 -0.88 -0.66 121.76 121.40 1oc8 s ALA 104 Ca 0.48 0.34 -0.31 0.00 0.00 0.00 0.00 51.96 52.47 1oc8 s ALA 104 Cb -0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 1oc8 s ALA 104 CO 0.38 -0.17 1.24 -1.17 0.00 0.00 0.00 175.76 176.04 1oc8 s LEU 105 N -0.62 4.36 0.21 0.00 2.96 -0.63 -0.61 118.68 124.35 1oc8 s LEU 105 Ca -0.07 2.05 -0.32 0.00 -0.22 0.00 0.00 54.13 55.57 1oc8 s LEU 105 Cb -0.04 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.92 1oc8 s LEU 105 CO 0.01 -0.52 1.25 -2.65 -1.32 0.00 0.00 176.35 173.13 1oc8 n PRO 106 N 4.11 1.53 -0.34 0.98 -0.02 -1.26 -4.78 135.00 135.22 1oc8 n PRO 106 Ca 0.10 0.54 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 1oc8 n PRO 106 Cb 0.46 -2.10 0.25 0.00 -0.02 0.00 0.00 33.50 32.09 1oc8 n PRO 106 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1oc8 h PHE 107 N 3.63 1.09 -0.01 6.00 3.57 -1.98 -1.78 116.94 127.46 1oc8 h PHE 107 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1oc8 h PHE 107 Cb 1.32 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1oc8 h PHE 107 CO 0.55 0.47 0.03 0.93 -2.23 0.00 0.00 178.31 178.06 1oc8 h GLU 108 N 0.98 0.00 -3.85 1.11 3.07 -2.01 -3.23 114.58 110.65 1oc8 h GLU 108 Ca 0.46 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.58 1oc8 h GLU 108 Cb 0.43 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.21 1oc8 h GLU 108 CO -0.22 0.00 2.19 -3.47 -1.40 0.00 0.00 179.01 176.11 1oc8 n ASP 109 N -3.38 4.84 0.09 1.42 2.03 -0.67 -4.67 116.55 116.22 1oc8 n ASP 109 Ca -0.03 -3.03 -0.05 0.00 0.52 0.00 0.00 54.79 52.20 1oc8 n ASP 109 Cb 0.11 -1.54 0.11 0.00 -0.72 0.00 0.00 41.12 39.08 1oc8 n ASP 109 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1oc8 h ARG 110 N 6.04 0.18 -0.63 -0.67 2.47 -1.81 -2.25 114.38 117.70 1oc8 h ARG 110 Ca 0.42 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.94 1oc8 h ARG 110 Cb 0.67 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.99 1oc8 h ARG 110 CO 1.63 0.77 0.13 0.87 0.56 0.00 0.00 179.97 183.93 1oc8 h LYS 111 N 0.13 1.01 -0.69 0.04 1.57 -1.92 -0.99 116.57 115.70 1oc8 h LYS 111 Ca -0.01 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1oc8 h LYS 111 Cb 1.18 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 1oc8 h LYS 111 CO 0.10 0.91 0.17 0.78 -0.57 0.00 0.00 179.45 180.84 1oc8 h GLY 112 N 1.04 1.19 1.03 3.86 0.00 -1.88 0.25 103.07 108.56 1oc8 h GLY 112 Ca 0.20 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1oc8 h GLY 112 CO 0.01 0.68 0.11 1.98 0.00 0.00 0.00 176.54 179.32 1oc8 h MET 113 N 1.05 0.98 -0.66 4.80 1.85 -0.91 -2.23 114.93 119.81 1oc8 h MET 113 Ca 0.22 -0.26 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 1oc8 h MET 113 Cb 0.36 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.25 1oc8 h MET 113 CO 0.00 0.92 0.20 0.93 -0.40 0.00 0.00 176.91 178.56 1oc8 h GLU 114 N 0.89 1.03 -0.38 0.39 4.39 -0.92 0.02 114.58 120.00 1oc8 h GLU 114 Ca 0.18 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1oc8 h GLU 114 Cb 0.41 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1oc8 h GLU 114 CO 0.01 0.90 0.19 0.35 -1.16 0.00 0.00 179.01 179.30 1oc8 h PHE 115 N 0.96 0.36 -0.11 4.33 3.57 -0.80 -0.15 116.94 125.09 1oc8 h PHE 115 Ca 0.21 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.56 1oc8 h PHE 115 Cb 0.31 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1oc8 h PHE 115 CO 0.02 0.19 -0.64 -0.07 -2.23 0.00 0.00 178.31 175.59 1oc8 h LEU 116 N 0.39 0.48 -0.53 0.59 3.38 -1.26 0.38 115.31 118.75 1oc8 h LEU 116 Ca 0.16 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1oc8 h LEU 116 Cb 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1oc8 h LEU 116 CO -0.11 0.99 0.33 0.74 0.09 0.00 0.00 178.44 180.48 1oc8 h THR 117 N 0.31 1.16 -0.21 0.22 2.02 -0.67 -1.37 112.91 114.36 1oc8 h THR 117 Ca -0.01 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1oc8 h THR 117 Cb 1.18 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1oc8 h THR 117 CO 0.11 0.16 -0.02 0.74 0.37 0.00 0.00 175.52 176.88 1oc8 h THR 118 N 0.72 1.27 -0.96 3.16 2.02 -0.90 -0.03 112.91 118.19 1oc8 h THR 118 Ca 0.19 -0.95 0.04 0.00 0.77 0.00 0.00 66.41 66.46 1oc8 h THR 118 Cb -0.03 1.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1oc8 h THR 118 CO -0.04 0.29 0.62 1.23 0.37 0.00 0.00 175.52 178.00 1oc8 h GLY 119 N 0.14 1.41 -0.44 2.16 0.00 -0.67 -1.86 103.07 103.82 1oc8 h GLY 119 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1oc8 h GLY 119 CO 0.02 0.39 -0.14 0.69 0.00 0.00 0.00 176.54 177.49 1oc8 n PHE 120 N -4.49 0.00 -3.64 5.60 3.72 -0.54 -4.98 117.46 113.14 1oc8 n PHE 120 Ca 0.13 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.30 1oc8 n PHE 120 Cb 0.11 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1oc8 n PHE 120 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1oc8 n ASP 121 N -0.01 -3.10 -4.60 4.37 2.03 -0.40 -4.90 116.55 109.94 1oc8 n ASP 121 Ca 0.15 -0.86 -0.42 0.00 0.52 0.00 0.00 54.79 54.17 1oc8 n ASP 121 Cb 0.39 -4.01 -0.04 0.00 -0.72 0.00 0.00 41.12 36.74 1oc8 n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1oc8 s VAL 122 N -3.58 4.64 -0.77 5.18 1.01 -0.16 -4.89 120.40 121.82 1oc8 s VAL 122 Ca 0.20 1.16 0.17 0.00 0.00 0.00 0.00 61.98 63.51 1oc8 s VAL 122 Cb -0.06 -4.29 -0.19 0.00 0.00 0.00 0.00 36.38 31.85 1oc8 s VAL 122 CO 0.82 -0.47 0.71 0.29 0.00 0.00 0.00 175.10 176.44 1oc8 n LYS 123 N 6.63 1.37 -3.67 2.72 5.02 -1.26 -4.91 118.16 124.05 1oc8 n LYS 123 Ca 0.06 -0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 1oc8 n LYS 123 Cb 0.48 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.17 1oc8 n LYS 123 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1oc8 s SER 124 N -2.65 -0.19 0.10 4.39 1.04 -1.26 -5.19 113.70 109.95 1oc8 s SER 124 Ca 0.06 -0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.29 1oc8 s SER 124 Cb 0.13 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1oc8 s SER 124 CO 0.70 -0.71 -0.14 0.27 0.98 0.00 0.00 173.24 174.34 1oc8 s ILE 125 N -3.06 1.23 0.37 -1.02 -4.36 -1.26 -4.15 121.20 108.95 1oc8 s ILE 125 Ca 0.11 -1.59 -0.25 0.00 -0.26 0.00 0.00 60.65 58.65 1oc8 s ILE 125 Cb -0.00 -1.38 -0.09 0.00 1.25 0.00 0.00 42.46 42.23 1oc8 s ILE 125 CO -0.01 -0.38 1.08 -2.16 0.24 0.00 0.00 174.94 173.71 1oc8 s PRO 126 N -2.42 4.24 -0.06 0.37 0.04 -1.26 -4.78 135.00 131.13 1oc8 s PRO 126 Ca 0.05 1.64 0.02 0.00 0.04 0.00 0.00 61.00 62.76 1oc8 s PRO 126 Cb -0.06 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.78 1oc8 s PRO 126 CO 0.02 -0.10 -0.12 0.99 0.04 0.00 0.00 177.00 177.83 1oc8 s THR 127 N -1.50 1.11 -0.14 1.26 2.01 -1.02 -5.01 115.64 112.36 1oc8 s THR 127 Ca 0.55 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 1oc8 s THR 127 Cb -0.26 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.27 1oc8 s THR 127 CO 0.33 0.35 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.32 1oc8 s LEU 128 N 0.63 1.37 -0.03 4.42 2.96 -1.26 -0.62 118.68 126.15 1oc8 s LEU 128 Ca -0.14 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1oc8 s LEU 128 Cb -0.15 -0.88 -0.00 0.00 0.50 0.00 0.00 46.19 45.66 1oc8 s LEU 128 CO 0.03 -0.15 -0.12 0.54 -1.32 0.00 0.00 176.35 175.33 1oc8 s VAL 129 N 1.67 1.04 -0.14 1.68 0.11 -0.77 -4.46 120.40 119.54 1oc8 s VAL 129 Ca 0.03 -0.51 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1oc8 s VAL 129 Cb -0.14 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 1oc8 s VAL 129 CO -0.08 0.31 -0.08 -0.83 -3.33 0.00 0.00 175.10 171.09 1oc8 s GLY 130 N 0.07 1.64 0.18 6.54 0.00 -0.78 -0.98 107.32 114.00 1oc8 s GLY 130 Ca -0.02 -0.85 0.11 0.00 0.00 0.00 0.00 44.72 43.96 1oc8 s GLY 130 CO 0.01 -0.13 -0.23 -1.34 0.00 0.00 0.00 173.10 171.41 1oc8 s VAL 131 N 0.33 2.19 -0.36 1.40 -7.23 0.67 -0.03 120.40 117.37 1oc8 s VAL 131 Ca -0.07 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 57.88 1oc8 s VAL 131 Cb -0.15 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.78 1oc8 s VAL 131 CO 0.04 -0.15 0.91 -0.70 -0.31 0.00 0.00 175.10 174.89 1oc8 s GLU 132 N -2.64 3.86 0.32 4.82 2.12 -0.16 -0.22 118.70 126.81 1oc8 s GLU 132 Ca 0.19 0.59 0.03 0.00 0.36 0.00 0.00 54.97 56.14 1oc8 s GLU 132 Cb -0.08 -3.79 0.62 0.00 0.26 0.00 0.00 34.13 31.15 1oc8 s GLU 132 CO 0.09 -0.91 1.90 0.00 -0.54 0.00 0.00 175.26 175.80 1oc8 h ALA 133 N 8.41 1.61 -0.45 6.30 0.00 -1.66 0.25 119.26 133.71 1oc8 h ALA 133 Ca -0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1oc8 h ALA 133 Cb 1.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1oc8 h ALA 133 CO 0.97 0.23 0.08 -0.44 0.00 0.00 0.00 179.25 180.09 1oc8 h ASP 134 N 0.91 0.71 0.00 0.00 5.19 -1.84 -3.31 116.42 118.08 1oc8 h ASP 134 Ca 0.40 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1oc8 h ASP 134 Cb 0.35 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1oc8 h ASP 134 CO -0.16 0.78 -1.68 -1.54 -3.12 0.00 0.00 179.24 173.51 1oc8 n SER 135 N -4.48 1.28 0.00 6.45 3.41 -1.06 -4.65 113.62 114.58 1oc8 n SER 135 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1oc8 n SER 135 Cb 0.24 1.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 1oc8 n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oc8 n GLY 136 N 1.57 0.63 3.79 5.00 0.00 0.84 -5.00 105.19 112.02 1oc8 n GLY 136 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1oc8 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oc8 s ASN 137 N -2.15 7.27 0.02 1.61 -0.87 -1.24 -4.80 114.94 114.78 1oc8 s ASN 137 Ca 0.00 1.73 -0.30 0.00 -1.57 0.00 0.00 52.86 52.72 1oc8 s ASN 137 Cb 0.00 -2.54 -0.05 0.00 -0.02 0.00 0.00 41.25 38.64 1oc8 s ASN 137 CO 0.00 -0.05 1.27 -0.63 -2.57 0.00 0.00 177.10 175.13 1oc8 s ILE 138 N -1.60 3.92 -0.21 0.60 1.01 -1.26 -0.99 121.20 122.68 1oc8 s ILE 138 Ca 0.49 1.34 -0.19 0.00 0.00 0.00 0.00 60.65 62.28 1oc8 s ILE 138 Cb -0.18 -3.86 -0.16 0.00 0.01 0.00 0.00 42.46 38.27 1oc8 s ILE 138 CO 0.23 0.05 0.10 -0.38 0.00 0.00 0.00 174.94 174.94 1oc8 n ILE 139 N 4.30 1.52 -3.89 2.92 2.08 0.95 -0.91 119.36 126.34 1oc8 n ILE 139 Ca 0.11 -0.04 -0.11 0.00 0.56 0.00 0.00 62.75 63.27 1oc8 n ILE 139 Cb 0.45 -2.07 -0.13 0.00 -0.75 0.00 0.00 39.64 37.14 1oc8 n ILE 139 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1oc8 s THR 140 N -2.37 0.02 -0.60 1.39 -1.32 -1.10 -2.13 115.64 109.54 1oc8 s THR 140 Ca -0.28 -0.21 0.06 0.00 -1.21 0.00 0.00 61.69 60.05 1oc8 s THR 140 Cb 0.06 -0.10 0.17 0.00 -1.51 0.00 0.00 72.50 71.13 1oc8 s THR 140 CO 0.54 -0.11 1.10 0.35 -2.21 0.00 0.00 174.62 174.28 1oc8 n THR 141 N 2.72 0.87 -0.53 5.08 -2.24 -1.26 -1.86 114.28 117.05 1oc8 n THR 141 Ca -0.15 -0.93 0.05 0.00 -2.27 0.00 0.00 64.05 60.75 1oc8 n THR 141 Cb 0.59 0.58 0.10 0.00 -2.10 0.00 0.00 70.33 69.51 1oc8 n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oc8 n GLN 142 N 0.15 2.36 0.17 -0.78 10.64 -1.26 -4.73 117.38 123.93 1oc8 n GLN 142 Ca 0.07 -2.13 0.05 0.00 -1.83 0.00 0.00 57.00 53.15 1oc8 n GLN 142 Cb 0.33 -1.32 0.50 0.00 -0.86 0.00 0.00 30.24 28.88 1oc8 n GLN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1oc8 h ALA 143 N 0.51 1.72 0.00 2.61 0.00 -1.83 0.49 119.26 122.77 1oc8 h ALA 143 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1oc8 h ALA 143 Cb 0.83 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1oc8 h ALA 143 CO 0.03 0.21 -0.13 -0.09 0.00 0.00 0.00 179.25 179.27 1oc8 h ARG 144 N 0.14 0.00 0.05 0.00 1.12 -1.85 0.68 114.38 114.52 1oc8 h ARG 144 Ca 0.03 0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.54 1oc8 h ARG 144 Cb 0.20 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.12 1oc8 h ARG 144 CO 0.01 0.13 -2.11 2.41 -3.11 0.00 0.00 179.97 177.30 1oc8 n THR 145 N -4.20 1.63 0.15 0.20 -1.04 -0.81 -4.44 114.28 105.76 1oc8 n THR 145 Ca -0.02 -0.69 0.03 0.00 -2.04 0.00 0.00 64.05 61.33 1oc8 n THR 145 Cb 0.21 -1.36 0.13 0.00 -1.82 0.00 0.00 70.33 67.49 1oc8 n THR 145 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1oc8 h MET 146 N 0.03 0.00 0.00 -2.82 2.86 -0.67 -2.82 114.93 111.52 1oc8 h MET 146 Ca -0.45 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.17 1oc8 h MET 146 Cb 2.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.68 1oc8 h MET 146 CO 0.03 0.47 -0.06 0.28 1.06 0.00 0.00 176.91 178.70 1oc8 h VAL 147 N 0.00 0.96 0.02 -2.22 2.07 -1.08 0.47 116.25 116.47 1oc8 h VAL 147 Ca -0.00 -0.22 -0.32 0.00 0.82 0.00 0.00 66.70 66.98 1oc8 h VAL 147 Cb 1.23 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1oc8 h VAL 147 CO 0.06 0.06 -1.89 1.33 0.02 0.00 0.00 177.57 177.16 1oc8 n VAL 148 N -4.35 1.60 0.09 2.57 0.24 -1.18 -3.57 118.33 113.73 1oc8 n VAL 148 Ca -0.03 -0.78 -0.01 0.00 -2.04 0.00 0.00 64.34 61.49 1oc8 n VAL 148 Cb 0.14 -1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 31.40 1oc8 n VAL 148 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1oc8 h LYS 149 N 0.01 0.00 -2.13 7.34 1.57 -1.22 -3.37 116.57 118.77 1oc8 h LYS 149 Ca -0.36 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.86 1oc8 h LYS 149 Cb 2.05 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.95 1oc8 h LYS 149 CO 0.07 0.57 -0.85 -3.47 -0.57 0.00 0.00 179.45 175.20 1oc8 n ASP 150 N -3.18 2.54 -0.00 0.86 2.03 0.16 -4.95 116.55 114.01 1oc8 n ASP 150 Ca -0.02 -3.25 0.12 0.00 0.52 0.00 0.00 54.79 52.16 1oc8 n ASP 150 Cb 0.82 -0.62 0.55 0.00 -0.72 0.00 0.00 41.12 41.15 1oc8 n ASP 150 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1oc8 h PRO 151 N 3.56 0.28 -0.01 -0.67 0.11 -1.73 -1.83 132.00 131.70 1oc8 h PRO 151 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1oc8 h PRO 151 Cb 0.73 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1oc8 h PRO 151 CO 0.68 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 1oc8 n GLU 152 N -4.47 1.07 -3.36 1.05 -0.58 -1.26 -4.91 120.64 108.19 1oc8 n GLU 152 Ca 0.07 -0.10 -0.17 0.00 -0.42 0.00 0.00 57.16 56.54 1oc8 n GLU 152 Cb 0.33 -1.37 0.07 0.00 -0.57 0.00 0.00 31.44 29.90 1oc8 n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1oc8 n ALA 153 N -0.76 -2.29 -0.40 0.62 0.00 -0.69 -4.98 120.51 112.02 1oc8 n ALA 153 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1oc8 n ALA 153 Cb 0.11 -4.25 0.00 0.00 0.00 0.00 0.00 19.45 15.30 1oc8 n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1oc8 n LYS 154 N -3.67 0.00 0.00 0.00 4.76 -1.26 -4.20 118.16 113.80 1oc8 n LYS 154 Ca -0.17 0.23 0.04 0.00 -2.87 0.00 0.00 58.31 55.55 1oc8 n LYS 154 Cb 0.64 -0.69 0.25 0.00 -1.84 0.00 0.00 35.03 33.40 1oc8 n LYS 154 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1oc8 n ASP 155 N -1.56 0.00 -4.70 4.39 5.75 -1.26 -4.79 116.55 114.38 1oc8 n ASP 155 Ca 0.00 -0.41 -0.40 0.00 -0.01 0.00 0.00 54.79 53.97 1oc8 n ASP 155 Cb 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 1oc8 n ASP 155 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1oc8 n PHE 156 N -0.89 1.92 0.45 2.11 -0.00 -1.26 0.53 117.46 120.32 1oc8 n PHE 156 Ca 0.06 0.47 -0.05 0.00 -0.00 0.00 0.00 57.45 57.93 1oc8 n PHE 156 Cb 0.03 -2.32 0.06 0.00 -0.00 0.00 0.00 39.48 37.24 1oc8 n PHE 156 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1oc8 n PRO 157 N -0.51 1.44 -3.99 -7.13 -0.04 -1.26 -4.95 135.00 118.56 1oc8 n PRO 157 Ca 0.09 -0.77 -0.26 0.00 -0.04 0.00 0.00 63.50 62.52 1oc8 n PRO 157 Cb 0.43 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 1oc8 n PRO 157 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1oc8 n TRP 158 N 0.10 -1.62 -1.69 0.54 8.01 0.19 -4.61 117.44 118.36 1oc8 n TRP 158 Ca 0.14 0.74 -0.42 0.00 -1.31 0.00 0.00 57.50 56.64 1oc8 n TRP 158 Cb 0.74 -3.65 -0.00 0.00 -2.01 0.00 0.00 31.31 26.39 1oc8 n TRP 158 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1oc8 n PRO 159 N -4.42 2.03 -2.71 -0.99 -0.02 -1.26 -4.73 135.00 122.91 1oc8 n PRO 159 Ca -0.30 0.71 -0.07 0.00 -2.02 0.00 0.00 63.50 61.82 1oc8 n PRO 159 Cb 0.68 -2.29 0.09 0.00 -0.02 0.00 0.00 33.50 31.97 1oc8 n PRO 159 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1oc8 n ASN 160 N 0.73 -2.00 -1.48 2.55 6.94 -0.90 -4.99 115.26 116.11 1oc8 n ASN 160 Ca 0.05 -3.04 -0.03 0.00 -0.02 0.00 0.00 54.58 51.54 1oc8 n ASN 160 Cb 0.36 1.59 0.02 0.00 -2.36 0.00 0.00 39.78 39.39 1oc8 n ASN 160 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1oc8 n VAL 161 N 0.19 -1.19 0.00 3.53 3.14 -1.26 -4.64 118.33 118.10 1oc8 n VAL 161 Ca 0.01 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 1oc8 n VAL 161 Cb 0.73 -3.00 0.00 0.00 -1.06 0.00 0.00 33.84 30.52 1oc8 n VAL 161 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75