#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iz8 n GLY 4 N 0.00 3.91 0.05 1.47 0.00 -1.26 -4.98 105.19 104.38 1iz8 n GLY 4 Ca 0.00 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1iz8 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iz8 n ALA 5 N 0.00 3.06 -1.79 4.61 0.00 -1.26 -4.86 120.51 120.26 1iz8 n ALA 5 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 1iz8 n ALA 5 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 1iz8 n ALA 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iz8 s LYS 6 N -3.16 4.60 0.71 0.00 3.01 -1.26 -4.83 119.74 118.82 1iz8 s LYS 6 Ca 0.06 1.85 -0.13 0.00 -1.01 0.00 0.00 55.97 56.74 1iz8 s LYS 6 Cb 0.14 -3.18 0.03 0.00 -1.01 0.00 0.00 37.83 33.80 1iz8 s LYS 6 CO 0.73 0.15 1.10 -1.25 0.51 0.00 0.00 175.35 176.59 1iz8 s PRO 7 N -1.36 2.54 -0.27 -1.68 0.04 -1.26 -4.84 135.00 128.17 1iz8 s PRO 7 Ca 0.46 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 1iz8 s PRO 7 Cb -0.33 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1iz8 s PRO 7 CO 0.42 -1.44 0.42 0.12 0.04 0.00 0.00 177.00 176.55 1iz8 s PHE 8 N -2.58 3.25 0.00 0.56 5.36 -1.26 -4.96 117.98 118.34 1iz8 s PHE 8 Ca 0.64 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 1iz8 s PHE 8 Cb -0.19 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.86 1iz8 s PHE 8 CO 0.48 -0.26 0.00 0.41 -1.46 0.00 0.00 175.22 174.39 1iz8 n GLY 9 N 4.62 -0.65 3.09 13.12 0.00 -1.26 -4.88 105.19 119.22 1iz8 n GLY 9 Ca -0.07 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 1iz8 n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iz8 s GLU 10 N 0.00 0.78 0.15 1.61 1.03 -1.26 -5.12 118.70 115.88 1iz8 s GLU 10 Ca 0.00 -0.61 -0.30 0.00 0.03 0.00 0.00 54.97 54.09 1iz8 s GLU 10 Cb 0.00 -0.74 -0.07 0.00 -0.80 0.00 0.00 34.13 32.52 1iz8 s GLU 10 CO 0.00 0.18 1.19 0.15 -1.33 0.00 0.00 175.26 175.45 1iz8 s LYS 11 N -0.90 4.49 0.25 -4.83 -0.14 -1.26 -4.53 119.74 112.82 1iz8 s LYS 11 Ca 0.00 1.82 0.09 0.00 -1.36 0.00 0.00 55.97 56.53 1iz8 s LYS 11 Cb -0.07 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 1iz8 s LYS 11 CO 0.01 -0.12 -0.01 0.15 -0.76 0.00 0.00 175.35 174.62 1iz8 s LYS 12 N 0.16 2.29 0.06 1.68 1.02 0.12 -4.93 119.74 120.14 1iz8 s LYS 12 Ca 0.54 -1.38 0.06 0.00 0.02 0.00 0.00 55.97 55.21 1iz8 s LYS 12 Cb -0.31 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 1iz8 s LYS 12 CO 0.34 0.38 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.93 1iz8 s PHE 13 N -2.23 1.35 -0.10 3.18 0.40 -1.26 -1.26 117.98 118.05 1iz8 s PHE 13 Ca 0.31 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 56.15 1iz8 s PHE 13 Cb -0.07 -0.78 0.03 0.00 0.51 0.00 0.00 43.02 42.71 1iz8 s PHE 13 CO 0.20 0.07 0.26 -1.50 0.70 0.00 0.00 175.22 174.95 1iz8 s ILE 14 N -0.99 -0.00 -0.05 0.64 2.07 -0.65 -4.97 121.20 117.24 1iz8 s ILE 14 Ca 0.02 0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 58.97 1iz8 s ILE 14 Cb -0.09 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.10 1iz8 s ILE 14 CO 0.02 0.00 0.97 -0.70 -1.91 0.00 0.00 174.94 173.32 1iz8 s GLU 15 N 0.20 4.49 -0.14 3.50 -6.30 -1.26 0.07 118.70 119.25 1iz8 s GLU 15 Ca -0.00 1.37 -0.01 0.00 -2.50 0.00 0.00 54.97 53.83 1iz8 s GLU 15 Cb -0.02 -3.49 0.04 0.00 0.00 0.00 0.00 34.13 30.65 1iz8 s GLU 15 CO -0.00 -0.15 -0.03 0.42 0.02 0.00 0.00 175.26 175.52 1iz8 s ILE 16 N 1.41 0.85 -1.38 -3.70 -1.09 -1.26 -4.71 121.20 111.32 1iz8 s ILE 16 Ca 0.49 -0.41 -0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1iz8 s ILE 16 Cb -0.20 -1.05 0.02 0.00 -1.58 0.00 0.00 42.46 39.65 1iz8 s ILE 16 CO 0.23 0.14 0.72 0.29 -1.23 0.00 0.00 174.94 175.09 1iz8 n LYS 17 N 4.97 -4.76 -1.80 2.79 5.02 -1.26 -0.43 118.16 122.69 1iz8 n LYS 17 Ca -0.10 0.58 -0.16 0.00 -2.02 0.00 0.00 58.31 56.60 1iz8 n LYS 17 Cb 0.48 -5.14 -0.04 0.00 -0.02 0.00 0.00 35.03 30.31 1iz8 n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iz8 n GLY 18 N -1.66 0.82 0.02 0.72 0.00 -1.26 -4.92 105.19 98.92 1iz8 n GLY 18 Ca -0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1iz8 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iz8 n ARG 19 N -2.53 1.45 -1.70 1.61 5.12 0.43 -5.13 116.66 115.91 1iz8 n ARG 19 Ca -0.17 0.02 -0.01 0.00 -1.93 0.00 0.00 57.85 55.76 1iz8 n ARG 19 Cb 0.57 -1.11 -0.01 0.00 -1.16 0.00 0.00 32.46 30.75 1iz8 n ARG 19 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1iz8 n ARG 20 N -2.45 -1.33 -4.29 5.56 0.63 -1.25 -4.44 116.66 109.09 1iz8 n ARG 20 Ca -0.09 1.35 -0.29 0.00 -0.92 0.00 0.00 57.85 57.91 1iz8 n ARG 20 Cb 0.62 -2.03 -0.11 0.00 0.45 0.00 0.00 32.46 31.39 1iz8 n ARG 20 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1iz8 s MET 21 N -1.08 1.84 0.03 -0.14 -1.94 0.11 -2.28 119.30 115.84 1iz8 s MET 21 Ca -0.06 -1.17 0.01 0.00 -1.71 0.00 0.00 55.69 52.75 1iz8 s MET 21 Cb 0.00 -2.14 -0.04 0.00 2.01 0.00 0.00 34.83 34.67 1iz8 s MET 21 CO 0.17 0.48 0.12 0.00 -0.01 0.00 0.00 175.02 175.78 1iz8 s ALA 22 N -1.20 3.70 0.22 3.03 0.00 -1.26 -1.64 121.76 124.62 1iz8 s ALA 22 Ca 0.19 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 1iz8 s ALA 22 Cb -0.10 -1.61 0.04 0.00 0.00 0.00 0.00 23.12 21.44 1iz8 s ALA 22 CO 0.11 0.74 0.74 1.52 0.00 0.00 0.00 175.76 178.87 1iz8 s TYR 23 N -1.33 -0.26 -0.12 0.00 1.13 -0.39 -1.34 117.35 115.04 1iz8 s TYR 23 Ca 0.28 -0.10 -0.02 0.00 -1.41 0.00 0.00 57.07 55.81 1iz8 s TYR 23 Cb -0.12 0.66 -0.03 0.00 -1.10 0.00 0.00 41.96 41.37 1iz8 s TYR 23 CO 0.20 -1.06 -0.03 0.42 -2.51 0.00 0.00 175.55 172.57 1iz8 s ILE 24 N -3.75 3.96 -0.31 -3.49 1.01 0.26 0.14 121.20 119.02 1iz8 s ILE 24 Ca 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1iz8 s ILE 24 Cb -0.04 -2.69 0.13 0.00 0.01 0.00 0.00 42.46 39.87 1iz8 s ILE 24 CO 0.01 0.54 0.26 -0.62 0.00 0.00 0.00 174.94 175.14 1iz8 s ASP 25 N -0.21 2.12 -0.08 3.58 2.15 -1.25 -1.73 116.67 121.24 1iz8 s ASP 25 Ca 0.04 -1.14 0.03 0.00 0.43 0.00 0.00 52.55 51.92 1iz8 s ASP 25 Cb -0.13 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 1iz8 s ASP 25 CO 0.02 -0.37 -0.19 -1.61 -0.17 0.00 0.00 175.17 172.86 1iz8 s GLU 26 N 2.04 2.35 0.27 4.34 0.41 0.01 -4.98 118.70 123.14 1iz8 s GLU 26 Ca 0.11 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 54.01 1iz8 s GLU 26 Cb -0.15 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 1iz8 s GLU 26 CO -0.26 0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.05 1iz8 n GLY 27 N 3.57 -1.89 3.25 -1.39 0.00 -1.26 -0.38 105.19 107.09 1iz8 n GLY 27 Ca -0.20 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 1iz8 n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iz8 s THR 28 N -0.05 0.74 0.00 2.61 -4.23 -1.26 -4.70 115.64 108.76 1iz8 s THR 28 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1iz8 s THR 28 Cb 0.00 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1iz8 s THR 28 CO 0.00 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1iz8 n GLY 29 N -0.25 -1.14 3.77 3.99 0.00 -1.26 -2.40 105.19 107.89 1iz8 n GLY 29 Ca -0.07 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 1iz8 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iz8 s ASP 30 N -4.00 6.84 0.47 1.61 1.01 -1.26 -3.83 116.67 117.51 1iz8 s ASP 30 Ca 0.00 2.63 -0.21 0.00 0.71 0.00 0.00 52.55 55.69 1iz8 s ASP 30 Cb 0.00 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 1iz8 s ASP 30 CO 0.00 -0.48 1.02 -2.16 0.21 0.00 0.00 175.17 173.75 1iz8 s PRO 31 N -1.71 3.93 -0.32 8.23 0.04 -1.26 -0.92 135.00 142.99 1iz8 s PRO 31 Ca 0.48 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1iz8 s PRO 31 Cb -0.39 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.10 1iz8 s PRO 31 CO 0.51 -0.32 0.02 0.42 0.04 0.00 0.00 177.00 177.67 1iz8 s ILE 32 N -2.02 2.56 -0.31 0.56 1.01 0.10 -2.22 121.20 120.89 1iz8 s ILE 32 Ca 0.66 -1.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.25 1iz8 s ILE 32 Cb -0.15 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 1iz8 s ILE 32 CO 0.18 -0.34 0.47 -0.22 0.00 0.00 0.00 174.94 175.03 1iz8 s LEU 33 N 1.07 4.21 -0.22 2.97 2.96 0.43 -1.54 118.68 128.57 1iz8 s LEU 33 Ca 0.01 0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 1iz8 s LEU 33 Cb -0.20 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1iz8 s LEU 33 CO -0.05 -0.35 0.06 -0.36 -1.32 0.00 0.00 176.35 174.32 1iz8 s PHE 34 N 2.27 3.13 -0.16 5.38 0.40 0.12 0.24 117.98 129.35 1iz8 s PHE 34 Ca 0.18 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1iz8 s PHE 34 Cb -0.16 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.24 1iz8 s PHE 34 CO 0.11 -0.16 -0.14 -1.14 0.70 0.00 0.00 175.22 174.59 1iz8 s GLN 35 N 1.09 2.35 0.88 0.44 2.00 0.06 -3.58 119.66 122.90 1iz8 s GLN 35 Ca 0.04 -0.67 -0.12 0.00 -2.00 0.00 0.00 55.36 52.61 1iz8 s GLN 35 Cb -0.14 -2.25 0.12 0.00 0.80 0.00 0.00 33.01 31.54 1iz8 s GLN 35 CO 0.03 -0.28 1.15 -3.38 -0.50 0.00 0.00 175.29 172.32 1iz8 s HIS 36 N 1.43 2.64 0.00 1.67 -3.43 -1.26 -3.00 115.29 113.34 1iz8 s HIS 36 Ca 0.04 0.81 0.00 0.00 -0.80 0.00 0.00 55.06 55.10 1iz8 s HIS 36 Cb -0.14 -3.44 0.00 0.00 -1.43 0.00 0.00 32.58 27.57 1iz8 s HIS 36 CO -0.10 -2.18 0.00 0.41 -2.00 0.00 0.00 174.74 170.87 1iz8 n GLY 37 N -2.61 5.24 3.76 -1.38 0.00 -1.25 -3.22 105.19 105.71 1iz8 n GLY 37 Ca 0.07 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 1iz8 n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1iz8 s ASN 38 N 1.00 6.97 -0.56 1.61 2.47 -1.26 -1.59 114.94 123.59 1iz8 s ASN 38 Ca 0.00 1.16 0.03 0.00 0.42 0.00 0.00 52.86 54.47 1iz8 s ASN 38 Cb 0.00 -2.37 0.41 0.00 -1.45 0.00 0.00 41.25 37.84 1iz8 s ASN 38 CO 0.00 0.07 1.46 -0.81 -3.72 0.00 0.00 177.10 174.10 1iz8 n PRO 39 N 2.88 3.20 -0.19 0.43 -0.04 -1.26 -4.95 135.00 135.06 1iz8 n PRO 39 Ca -0.06 -4.08 0.00 0.00 -0.04 0.00 0.00 63.50 59.32 1iz8 n PRO 39 Cb 0.51 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1iz8 n PRO 39 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1iz8 n THR 40 N -0.56 0.00 -3.16 0.52 -2.24 -0.62 -4.93 114.28 103.29 1iz8 n THR 40 Ca 0.46 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1iz8 n THR 40 Cb 0.58 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1iz8 n THR 40 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1iz8 n SER 41 N -0.59 0.00 -0.01 3.42 3.41 -1.26 -4.47 113.62 114.12 1iz8 n SER 41 Ca 0.00 -0.75 0.12 0.00 -0.26 0.00 0.00 58.87 57.98 1iz8 n SER 41 Cb 0.00 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.50 1iz8 n SER 41 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1iz8 h SER 42 N 0.00 0.25 -1.35 4.04 4.64 -1.88 -2.18 113.55 117.07 1iz8 h SER 42 Ca 0.00 0.00 0.39 0.00 -0.47 0.00 0.00 61.79 61.72 1iz8 h SER 42 Cb 0.00 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 61.97 1iz8 h SER 42 CO 0.00 0.15 0.94 0.22 -0.87 0.00 0.00 176.83 177.27 1iz8 h TYR 43 N 0.28 0.18 -0.25 4.77 3.20 -1.96 0.19 116.97 123.39 1iz8 h TYR 43 Ca 0.22 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.17 1iz8 h TYR 43 Cb 0.50 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1iz8 h TYR 43 CO -0.00 -0.02 0.24 1.25 -1.64 0.00 0.00 178.16 177.99 1iz8 h LEU 44 N 0.07 0.00 -2.65 2.82 6.46 -1.80 -1.81 115.31 118.41 1iz8 h LEU 44 Ca 0.68 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.44 1iz8 h LEU 44 Cb 2.50 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.43 1iz8 h LEU 44 CO -0.11 0.00 0.00 0.79 -0.62 0.00 0.00 178.44 178.50 1iz8 n TRP 45 N -3.92 0.81 -0.14 1.25 7.02 0.06 -4.66 117.44 117.85 1iz8 n TRP 45 Ca 0.03 -0.44 0.18 0.00 -1.02 0.00 0.00 57.50 56.25 1iz8 n TRP 45 Cb 0.39 -0.00 0.56 0.00 -2.42 0.00 0.00 31.31 29.83 1iz8 n TRP 45 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 1iz8 h ARG 46 N 4.11 0.29 -0.38 -0.99 0.11 -1.45 -1.57 114.38 114.50 1iz8 h ARG 46 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1iz8 h ARG 46 Cb 0.96 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1iz8 h ARG 46 CO 0.00 0.19 0.00 0.09 0.10 0.00 0.00 179.97 180.35 1iz8 n ASN 47 N -4.45 3.35 -0.07 0.08 3.02 -1.26 -4.48 115.26 111.45 1iz8 n ASN 47 Ca 0.14 -1.96 -0.11 0.00 -0.03 0.00 0.00 54.58 52.63 1iz8 n ASN 47 Cb 0.59 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 1iz8 n ASN 47 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1iz8 n ILE 48 N 1.36 0.78 -0.21 2.41 5.41 -0.81 -4.57 119.36 123.73 1iz8 n ILE 48 Ca 0.18 -0.28 0.14 0.00 1.00 0.00 0.00 62.75 63.79 1iz8 n ILE 48 Cb 0.57 -1.14 0.45 0.00 -0.71 0.00 0.00 39.64 38.80 1iz8 n ILE 48 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1iz8 h MET 49 N -0.12 0.53 -0.92 0.38 2.86 -1.54 -1.77 114.93 114.36 1iz8 h MET 49 Ca -0.32 -0.03 0.18 0.00 -2.06 0.00 0.00 59.70 57.47 1iz8 h MET 49 Cb 1.44 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.90 1iz8 h MET 49 CO -0.09 0.35 0.59 -1.35 1.06 0.00 0.00 176.91 177.47 1iz8 h PRO 50 N 0.54 0.58 0.00 -0.22 0.11 -1.81 -0.38 132.00 130.83 1iz8 h PRO 50 Ca 0.40 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.47 1iz8 h PRO 50 Cb 0.77 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1iz8 h PRO 50 CO -0.15 0.39 -0.04 0.45 -0.21 0.00 0.00 178.00 178.43 1iz8 h HIS 51 N 0.60 0.00 -0.12 0.65 3.86 -1.60 -1.97 115.15 116.57 1iz8 h HIS 51 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 1iz8 h HIS 51 Cb 0.93 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1iz8 h HIS 51 CO -0.00 0.04 0.00 0.00 0.86 0.00 0.00 177.93 178.83 1iz8 n ALA 53 N 0.48 -0.52 -0.67 0.00 0.00 -0.74 -1.10 120.51 117.95 1iz8 n ALA 53 Ca 0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1iz8 n ALA 53 Cb 0.39 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1iz8 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iz8 n GLY 54 N 1.31 0.69 0.48 0.00 0.00 -1.26 -4.81 105.19 101.59 1iz8 n GLY 54 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1iz8 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iz8 n LEU 55 N 0.00 1.81 0.00 0.99 4.77 -0.26 -5.04 117.00 119.27 1iz8 n LEU 55 Ca 0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1iz8 n LEU 55 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1iz8 n LEU 55 CO 0.00 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1iz8 n GLY 56 N 1.37 -1.18 3.60 -0.72 0.00 -1.26 -4.83 105.19 102.18 1iz8 n GLY 56 Ca 0.11 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1iz8 n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iz8 s ARG 57 N -1.87 3.66 -0.22 1.61 3.52 -0.09 -4.19 118.95 121.36 1iz8 s ARG 57 Ca 0.00 0.66 -0.21 0.00 -0.13 0.00 0.00 55.73 56.05 1iz8 s ARG 57 Cb 0.00 -3.95 -0.02 0.00 -1.56 0.00 0.00 34.95 29.41 1iz8 s ARG 57 CO 0.00 -1.47 0.66 -0.51 -0.81 0.00 0.00 175.30 173.17 1iz8 s LEU 58 N 4.82 4.11 -0.03 -0.88 1.43 0.49 0.02 118.68 128.65 1iz8 s LEU 58 Ca 0.52 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.48 1iz8 s LEU 58 Cb -0.09 -2.92 -0.00 0.00 0.03 0.00 0.00 46.19 43.21 1iz8 s LEU 58 CO 0.32 -0.33 -0.13 -0.63 0.23 0.00 0.00 176.35 175.81 1iz8 s ILE 59 N 2.21 1.07 -0.14 -0.59 1.01 -0.59 -0.81 121.20 123.36 1iz8 s ILE 59 Ca 0.29 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 1iz8 s ILE 59 Cb -0.16 -0.92 0.05 0.00 0.01 0.00 0.00 42.46 41.45 1iz8 s ILE 59 CO 0.09 0.31 0.09 0.00 0.00 0.00 0.00 174.94 175.44 1iz8 s ALA 60 N -0.01 0.37 -0.00 9.38 0.00 -0.71 0.12 121.76 130.92 1iz8 s ALA 60 Ca -0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 51.96 51.69 1iz8 s ALA 60 Cb -0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1iz8 s ALA 60 CO 0.01 -1.03 0.27 0.00 0.00 0.00 0.00 175.76 175.01 1iz8 s ASP 62 N -1.60 6.33 0.74 0.00 1.01 -0.45 -4.39 116.67 118.32 1iz8 s ASP 62 Ca 0.26 0.31 -0.15 0.00 0.71 0.00 0.00 52.55 53.68 1iz8 s ASP 62 Cb -0.13 -2.25 0.04 0.00 1.01 0.00 0.00 42.92 41.59 1iz8 s ASP 62 CO 0.15 -0.28 1.23 0.18 0.21 0.00 0.00 175.17 176.65 1iz8 n LEU 63 N 5.49 5.05 -4.74 1.23 4.77 -1.26 -4.48 117.00 123.06 1iz8 n LEU 63 Ca -0.06 0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 56.19 1iz8 n LEU 63 Cb 0.50 -1.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 1iz8 n LEU 63 CO 0.40 -1.43 1.20 0.00 -1.33 0.00 0.00 177.39 176.24 1iz8 n ILE 64 N -2.70 1.16 -0.78 -0.08 0.13 -1.26 -0.60 119.36 115.23 1iz8 n ILE 64 Ca 0.15 -0.29 0.00 0.00 -1.10 0.00 0.00 62.75 61.51 1iz8 n ILE 64 Cb 0.49 -1.91 0.00 0.00 -0.84 0.00 0.00 39.64 37.38 1iz8 n ILE 64 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1iz8 n GLY 65 N 1.92 1.21 3.43 4.50 0.00 0.15 -4.98 105.19 111.41 1iz8 n GLY 65 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1iz8 n GLY 65 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iz8 s MET 66 N -0.09 1.54 5.28 1.61 -1.94 0.23 -4.85 119.30 121.08 1iz8 s MET 66 Ca 0.00 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.24 1iz8 s MET 66 Cb 0.00 -1.36 0.00 0.00 2.01 0.00 0.00 34.83 35.48 1iz8 s MET 66 CO 0.00 0.17 0.00 0.41 -0.01 0.00 0.00 175.02 175.59 1iz8 n GLY 67 N -0.55 3.10 0.78 -0.03 0.00 -1.26 -1.05 105.19 106.17 1iz8 n GLY 67 Ca -0.06 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1iz8 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iz8 n ASP 68 N 2.88 2.34 -4.78 1.61 8.00 -1.26 -4.64 116.55 120.70 1iz8 n ASP 68 Ca 0.00 -1.82 -0.35 0.00 0.71 0.00 0.00 54.79 53.34 1iz8 n ASP 68 Cb 0.00 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 1iz8 n ASP 68 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1iz8 s SER 69 N -1.57 5.87 0.76 -2.24 0.01 -0.21 -4.50 113.70 111.81 1iz8 s SER 69 Ca 0.34 2.09 -0.15 0.00 1.31 0.00 0.00 55.95 59.55 1iz8 s SER 69 Cb 0.19 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.91 1iz8 s SER 69 CO 0.28 -1.11 1.24 -1.81 0.41 0.00 0.00 173.24 172.25 1iz8 s ASP 70 N -1.89 3.84 0.28 2.44 1.11 -0.97 -4.21 116.67 117.28 1iz8 s ASP 70 Ca 0.71 2.46 -0.09 0.00 0.18 0.00 0.00 52.55 55.80 1iz8 s ASP 70 Cb -0.21 -2.60 -0.07 0.00 1.07 0.00 0.00 42.92 41.11 1iz8 s ASP 70 CO 0.26 -2.50 0.60 -0.54 1.18 0.00 0.00 175.17 174.17 1iz8 s LYS 71 N -3.91 3.79 0.04 8.23 -0.14 -1.26 -0.68 119.74 125.81 1iz8 s LYS 71 Ca 0.76 0.30 -0.19 0.00 -1.36 0.00 0.00 55.97 55.48 1iz8 s LYS 71 Cb -0.32 -2.58 -0.06 0.00 -1.68 0.00 0.00 37.83 33.19 1iz8 s LYS 71 CO 0.48 0.23 0.54 -0.51 -0.76 0.00 0.00 175.35 175.32 1iz8 s LEU 72 N -3.13 4.50 -0.04 3.17 1.43 -1.26 -4.91 118.68 118.44 1iz8 s LEU 72 Ca 0.48 1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 54.71 1iz8 s LEU 72 Cb -0.11 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.28 1iz8 s LEU 72 CO 0.24 0.25 0.14 1.51 0.23 0.00 0.00 176.35 178.72 1iz8 s ASP 73 N -0.93 -0.11 0.61 2.29 -4.77 -1.26 -3.46 116.67 109.05 1iz8 s ASP 73 Ca 0.28 0.17 -0.18 0.00 -3.30 0.00 0.00 52.55 49.53 1iz8 s ASP 73 Cb -0.19 0.27 -0.03 0.00 -1.09 0.00 0.00 42.92 41.89 1iz8 s ASP 73 CO 0.17 -0.12 1.17 -2.16 0.70 0.00 0.00 175.17 174.93 1iz8 s PRO 74 N -0.25 2.95 0.12 2.11 0.04 -1.26 -5.17 135.00 133.54 1iz8 s PRO 74 Ca -0.03 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1iz8 s PRO 74 Cb -0.03 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1iz8 s PRO 74 CO 0.00 -1.19 0.09 0.45 0.04 0.00 0.00 177.00 176.39 1iz8 s SER 75 N -1.89 5.41 -0.03 6.66 0.15 -1.22 -4.95 113.70 117.83 1iz8 s SER 75 Ca 0.74 -0.11 -0.28 0.00 0.70 0.00 0.00 55.95 57.00 1iz8 s SER 75 Cb -0.26 -1.40 0.09 0.00 -1.71 0.00 0.00 66.02 62.74 1iz8 s SER 75 CO 0.34 0.13 1.29 0.61 1.20 0.00 0.00 173.24 176.80 1iz8 n GLY 76 N 0.11 0.20 0.43 9.45 0.00 -1.26 -4.98 105.19 109.14 1iz8 n GLY 76 Ca -0.09 -1.04 0.23 0.00 0.00 0.00 0.00 46.02 45.12 1iz8 n GLY 76 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1iz8 h PRO 77 N 0.00 0.00 -0.01 1.61 0.11 -1.99 0.62 132.00 132.34 1iz8 h PRO 77 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1iz8 h PRO 77 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1iz8 h PRO 77 CO 0.31 0.00 -0.67 0.39 -0.21 0.00 0.00 178.00 177.82 1iz8 n GLU 78 N -3.57 0.70 -2.04 1.05 -0.58 -1.26 -4.96 120.64 109.97 1iz8 n GLU 78 Ca 0.12 -0.57 -0.31 0.00 -0.42 0.00 0.00 57.16 55.99 1iz8 n GLU 78 Cb 0.90 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 30.28 1iz8 n GLU 78 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1iz8 s ARG 79 N -2.69 3.67 -1.33 3.49 6.06 0.21 -4.15 118.95 124.20 1iz8 s ARG 79 Ca 0.15 0.75 0.00 0.00 -2.50 0.00 0.00 55.73 54.13 1iz8 s ARG 79 Cb 0.17 -2.11 0.00 0.00 0.06 0.00 0.00 34.95 33.07 1iz8 s ARG 79 CO 0.69 -0.48 0.00 0.66 -2.50 0.00 0.00 175.30 173.67 1iz8 n TYR 80 N -2.45 -0.32 -1.25 5.12 4.01 -1.26 -4.84 117.16 116.16 1iz8 n TYR 80 Ca 0.06 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.50 1iz8 n TYR 80 Cb 0.54 -2.72 0.15 0.00 -0.31 0.00 0.00 39.34 36.99 1iz8 n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1iz8 s ALA 81 N -2.60 1.42 0.18 -0.72 0.00 -1.26 -4.62 121.76 114.16 1iz8 s ALA 81 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.60 1iz8 s ALA 81 Cb 0.00 -3.14 0.16 0.00 0.00 0.00 0.00 23.12 20.13 1iz8 s ALA 81 CO 0.00 -2.46 1.70 -0.92 0.00 0.00 0.00 175.76 174.09 1iz8 h TYR 82 N -1.62 0.06 -0.38 0.00 3.20 -1.95 -1.52 116.97 114.77 1iz8 h TYR 82 Ca -0.51 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.47 1iz8 h TYR 82 Cb 1.30 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 1iz8 h TYR 82 CO 0.37 -0.05 0.26 0.00 -1.64 0.00 0.00 178.16 177.10 1iz8 h ALA 83 N 1.38 2.14 0.07 1.82 0.00 -1.99 -0.39 119.26 122.28 1iz8 h ALA 83 Ca 0.23 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 1iz8 h ALA 83 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1iz8 h ALA 83 CO -0.34 -0.23 -1.10 1.49 0.00 0.00 0.00 179.25 179.08 1iz8 h GLU 84 N 0.17 0.35 -0.20 0.00 4.81 -1.64 -2.13 114.58 115.93 1iz8 h GLU 84 Ca 0.17 -0.47 -0.14 0.00 -0.13 0.00 0.00 59.36 58.79 1iz8 h GLU 84 Cb 0.47 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1iz8 h GLU 84 CO -0.03 1.17 -0.47 0.45 -0.73 0.00 0.00 179.01 179.41 1iz8 h HIS 85 N 0.15 0.61 -0.30 0.92 3.86 -0.74 -2.84 115.15 116.82 1iz8 h HIS 85 Ca -0.11 -0.19 -0.13 0.00 -1.16 0.00 0.00 60.37 58.77 1iz8 h HIS 85 Cb 1.78 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 30.11 1iz8 h HIS 85 CO 0.06 0.88 -0.35 -0.09 0.86 0.00 0.00 177.93 179.29 1iz8 h ARG 86 N 0.40 0.68 -0.72 2.45 2.43 -1.10 0.12 114.38 118.64 1iz8 h ARG 86 Ca 0.02 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 1iz8 h ARG 86 Cb 0.97 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1iz8 h ARG 86 CO 0.09 0.93 0.35 -0.44 -1.51 0.00 0.00 179.97 179.38 1iz8 h ASP 87 N 0.57 0.93 0.14 -3.80 3.32 -1.24 0.17 116.42 116.51 1iz8 h ASP 87 Ca 0.06 -0.10 -0.27 0.00 0.02 0.00 0.00 57.03 56.74 1iz8 h ASP 87 Cb 0.87 -0.24 0.03 0.00 0.22 0.00 0.00 39.33 40.21 1iz8 h ASP 87 CO 0.08 0.79 -1.13 1.88 -1.72 0.00 0.00 179.24 179.13 1iz8 h TYR 88 N 1.02 0.86 -0.66 4.55 -1.99 -1.29 -3.13 116.97 116.33 1iz8 h TYR 88 Ca 0.25 -0.57 -0.07 0.00 2.00 0.00 0.00 58.73 60.34 1iz8 h TYR 88 Cb 0.10 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 1iz8 h TYR 88 CO 0.01 1.42 0.13 1.25 -0.00 0.00 0.00 178.16 180.98 1iz8 h LEU 89 N 0.05 1.03 -0.34 3.88 5.85 -0.55 -1.22 115.31 124.01 1iz8 h LEU 89 Ca -0.18 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1iz8 h LEU 89 Cb 1.84 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.57 1iz8 h LEU 89 CO 0.21 1.02 0.16 0.44 -0.34 0.00 0.00 178.44 179.93 1iz8 h ASP 90 N 1.00 0.23 0.54 1.25 5.19 -0.79 0.13 116.42 123.98 1iz8 h ASP 90 Ca 0.20 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.54 1iz8 h ASP 90 Cb 0.41 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 1iz8 h ASP 90 CO 0.01 0.17 -0.45 0.00 -3.12 0.00 0.00 179.24 175.85 1iz8 h ALA 91 N 1.18 1.17 -0.15 3.45 0.00 -1.46 -1.26 119.26 122.19 1iz8 h ALA 91 Ca 0.15 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1iz8 h ALA 91 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iz8 h ALA 91 CO -0.11 0.56 -0.48 1.25 0.00 0.00 0.00 179.25 180.47 1iz8 h LEU 92 N 0.00 0.68 -1.31 0.00 5.85 -0.80 -2.22 115.31 117.50 1iz8 h LEU 92 Ca -0.00 -0.60 -0.07 0.00 0.84 0.00 0.00 57.88 58.05 1iz8 h LEU 92 Cb 0.84 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1iz8 h LEU 92 CO 0.06 1.17 -0.32 -0.50 -0.34 0.00 0.00 178.44 178.51 1iz8 h TRP 93 N 0.23 0.00 -0.12 1.25 4.06 -0.82 -2.00 115.95 118.55 1iz8 h TRP 93 Ca -0.02 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.79 1iz8 h TRP 93 Cb 1.11 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.28 1iz8 h TRP 93 CO 0.10 0.32 -0.48 1.49 -3.56 0.00 0.00 178.44 176.31 1iz8 h GLU 94 N 0.00 0.54 -0.82 0.49 4.57 -1.22 -3.26 114.58 114.89 1iz8 h GLU 94 Ca -0.00 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 57.73 1iz8 h GLU 94 Cb 0.65 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 1iz8 h GLU 94 CO 0.04 1.04 0.42 0.00 -1.18 0.00 0.00 179.01 179.33 1iz8 h ALA 95 N 0.50 1.19 0.00 2.92 0.00 -1.11 -2.72 119.26 120.04 1iz8 h ALA 95 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1iz8 h ALA 95 Cb 1.12 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1iz8 h ALA 95 CO 0.10 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.26 1iz8 n LEU 96 N -4.32 0.00 -3.57 0.00 4.77 -0.78 -4.91 117.00 108.18 1iz8 n LEU 96 Ca 0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.80 1iz8 n LEU 96 Cb 0.12 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1iz8 n LEU 96 CO 0.39 0.00 -0.18 -0.67 -1.33 0.00 0.00 177.39 175.60 1iz8 n ASP 97 N -0.84 -5.53 0.19 -1.43 2.03 -1.03 -4.90 116.55 105.04 1iz8 n ASP 97 Ca 0.09 -0.52 0.12 0.00 0.52 0.00 0.00 54.79 55.00 1iz8 n ASP 97 Cb 0.04 -2.23 0.12 0.00 -0.72 0.00 0.00 41.12 38.33 1iz8 n ASP 97 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1iz8 h LEU 98 N 0.74 0.00 0.00 -2.67 3.38 -1.84 -3.50 115.31 111.42 1iz8 h LEU 98 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1iz8 h LEU 98 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1iz8 h LEU 98 CO 0.30 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.45 1iz8 n GLY 99 N 1.12 -1.39 0.73 0.83 0.00 -1.26 -4.38 105.19 100.85 1iz8 n GLY 99 Ca 0.03 -1.49 0.06 0.00 0.00 0.00 0.00 46.02 44.61 1iz8 n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iz8 n ASP 100 N 0.13 1.52 -3.14 1.61 5.68 -1.26 -4.76 116.55 116.31 1iz8 n ASP 100 Ca 0.00 -3.18 -0.21 0.00 -0.50 0.00 0.00 54.79 50.90 1iz8 n ASP 100 Cb 0.00 -0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 39.50 1iz8 n ASP 100 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iz8 n ARG 101 N -0.70 0.80 -3.64 0.11 5.12 -1.14 -4.32 116.66 112.90 1iz8 n ARG 101 Ca 0.14 -3.12 -0.37 0.00 -1.93 0.00 0.00 57.85 52.58 1iz8 n ARG 101 Cb 0.80 -1.36 -0.07 0.00 -1.16 0.00 0.00 32.46 30.67 1iz8 n ARG 101 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1iz8 s VAL 102 N -1.35 5.31 -0.20 1.55 1.01 -0.11 -4.28 120.40 122.32 1iz8 s VAL 102 Ca 0.36 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 1iz8 s VAL 102 Cb 0.23 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1iz8 s VAL 102 CO -0.11 0.49 0.01 -0.69 0.00 0.00 0.00 175.10 174.81 1iz8 s VAL 103 N -0.25 4.13 -0.15 2.92 1.01 -0.94 -0.15 120.40 126.96 1iz8 s VAL 103 Ca 0.17 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1iz8 s VAL 103 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1iz8 s VAL 103 CO 0.05 0.43 0.11 -0.76 0.00 0.00 0.00 175.10 174.93 1iz8 s LEU 104 N 0.91 4.13 -0.27 3.92 1.43 0.32 -0.43 118.68 128.69 1iz8 s LEU 104 Ca 0.02 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1iz8 s LEU 104 Cb -0.14 -2.03 0.07 0.00 0.03 0.00 0.00 46.19 44.12 1iz8 s LEU 104 CO 0.02 0.29 -0.02 -0.69 0.23 0.00 0.00 176.35 176.17 1iz8 s VAL 105 N -0.29 1.66 0.25 -1.59 1.01 0.14 0.11 120.40 121.68 1iz8 s VAL 105 Ca 0.10 -1.50 0.09 0.00 0.00 0.00 0.00 61.98 60.68 1iz8 s VAL 105 Cb -0.12 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1iz8 s VAL 105 CO 0.01 -0.25 -0.15 0.68 0.00 0.00 0.00 175.10 175.39 1iz8 s VAL 106 N 1.30 2.02 -0.08 2.92 -7.23 -0.33 -0.76 120.40 118.24 1iz8 s VAL 106 Ca -0.01 -2.27 -0.19 0.00 -1.81 0.00 0.00 61.98 57.70 1iz8 s VAL 106 Cb -0.19 -2.24 0.04 0.00 0.56 0.00 0.00 36.38 34.55 1iz8 s VAL 106 CO -0.09 -0.45 0.46 -2.28 -0.31 0.00 0.00 175.10 172.43 1iz8 s HIS 107 N -2.79 -0.42 0.00 2.82 5.65 -1.16 -2.58 115.29 116.81 1iz8 s HIS 107 Ca 0.27 0.83 0.00 0.00 0.25 0.00 0.00 55.06 56.40 1iz8 s HIS 107 Cb -0.01 0.20 0.00 0.00 -1.18 0.00 0.00 32.58 31.59 1iz8 s HIS 107 CO 0.11 -0.40 0.00 -3.47 -0.65 0.00 0.00 174.74 170.33 1iz8 n ASP 108 N 1.71 0.00 0.24 9.88 2.03 -0.57 0.49 116.55 130.32 1iz8 n ASP 108 Ca -0.18 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.28 1iz8 n ASP 108 Cb 0.56 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 41.52 1iz8 n ASP 108 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1iz8 h TRP 109 N 0.00 0.00 -0.16 -0.67 4.06 -1.90 -2.09 115.95 115.19 1iz8 h TRP 109 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 1iz8 h TRP 109 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1iz8 h TRP 109 CO 0.00 0.00 -0.29 0.78 -3.56 0.00 0.00 178.44 175.37 1iz8 h GLY 110 N 2.54 0.34 1.37 1.49 0.00 0.07 -0.07 103.07 108.82 1iz8 h GLY 110 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 1iz8 h GLY 110 CO 0.00 0.25 -0.66 1.48 0.00 0.00 0.00 176.54 177.61 1iz8 h SER 111 N 0.28 0.73 -0.23 0.19 4.64 -0.84 1.00 113.55 119.31 1iz8 h SER 111 Ca 0.04 -0.44 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1iz8 h SER 111 Cb 0.66 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1iz8 h SER 111 CO 0.05 1.20 0.10 0.00 -0.87 0.00 0.00 176.83 177.30 1iz8 h ALA 112 N 0.80 0.30 -0.26 5.18 0.00 -1.33 0.53 119.26 124.49 1iz8 h ALA 112 Ca -0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1iz8 h ALA 112 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1iz8 h ALA 112 CO 0.13 -0.11 -0.47 -0.07 0.00 0.00 0.00 179.25 178.73 1iz8 h LEU 113 N 0.23 0.73 -0.07 0.00 3.38 -0.95 -2.64 115.31 115.98 1iz8 h LEU 113 Ca 0.08 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1iz8 h LEU 113 Cb 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1iz8 h LEU 113 CO -0.01 1.08 -0.22 1.23 0.09 0.00 0.00 178.44 180.62 1iz8 h GLY 114 N 0.96 0.29 1.00 0.83 0.00 0.13 -1.79 103.07 104.48 1iz8 h GLY 114 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1iz8 h GLY 114 CO 0.10 0.34 0.52 0.74 0.00 0.00 0.00 176.54 178.23 1iz8 h PHE 115 N -0.25 0.99 -0.22 5.60 0.04 -0.02 0.11 116.94 123.19 1iz8 h PHE 115 Ca -0.01 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1iz8 h PHE 115 Cb 0.84 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1iz8 h PHE 115 CO 0.13 0.62 0.05 0.22 -0.60 0.00 0.00 178.31 178.73 1iz8 h ASP 116 N 1.06 0.34 -0.61 2.17 3.58 -1.50 -0.70 116.42 120.76 1iz8 h ASP 116 Ca 0.29 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 1iz8 h ASP 116 Cb -0.12 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1iz8 h ASP 116 CO -0.07 0.48 0.27 -0.25 -2.88 0.00 0.00 179.24 176.80 1iz8 h TRP 117 N 0.17 0.91 -0.41 0.28 7.01 -1.13 -1.62 115.95 121.17 1iz8 h TRP 117 Ca 0.07 -0.06 0.04 0.00 2.11 0.00 0.00 58.89 61.05 1iz8 h TRP 117 Cb 0.28 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.03 1iz8 h TRP 117 CO 0.01 0.71 0.18 0.00 -2.79 0.00 0.00 178.44 176.55 1iz8 h ALA 118 N 1.11 0.50 0.03 2.65 0.00 -0.53 0.30 119.26 123.32 1iz8 h ALA 118 Ca 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1iz8 h ALA 118 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1iz8 h ALA 118 CO -0.02 -0.19 -0.01 -0.09 0.00 0.00 0.00 179.25 178.93 1iz8 h ARG 119 N 0.37 -0.03 0.00 0.00 2.43 -0.82 0.51 114.38 116.83 1iz8 h ARG 119 Ca 0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1iz8 h ARG 119 Cb 0.12 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1iz8 h ARG 119 CO -0.15 -0.01 -0.08 0.00 -1.51 0.00 0.00 179.97 178.21 1iz8 h ARG 120 N -0.05 0.00 -0.77 0.20 3.08 -0.80 -3.05 114.38 112.99 1iz8 h ARG 120 Ca -0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.59 1iz8 h ARG 120 Cb 0.04 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.67 1iz8 h ARG 120 CO 0.01 0.08 -0.92 0.72 -1.07 0.00 0.00 179.97 178.79 1iz8 n HIS 121 N -3.57 2.30 -0.31 3.04 8.25 0.10 -4.92 115.22 120.11 1iz8 n HIS 121 Ca -0.02 -2.35 0.12 0.00 -0.26 0.00 0.00 57.72 55.22 1iz8 n HIS 121 Cb 0.21 -0.28 0.30 0.00 1.12 0.00 0.00 29.99 31.33 1iz8 n HIS 121 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1iz8 h ARG 122 N 2.41 0.47 -0.08 -0.41 0.11 0.11 -0.69 114.38 116.30 1iz8 h ARG 122 Ca 0.18 -0.03 0.02 0.00 0.10 0.00 0.00 59.98 60.26 1iz8 h ARG 122 Cb 1.36 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 1iz8 h ARG 122 CO 0.59 0.31 0.11 0.93 0.10 0.00 0.00 179.97 182.01 1iz8 h GLU 123 N 0.49 0.00 -0.02 0.08 4.39 -1.90 -1.79 114.58 115.82 1iz8 h GLU 123 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 1iz8 h GLU 123 Cb 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1iz8 h GLU 123 CO -0.48 0.00 -0.02 0.54 -1.16 0.00 0.00 179.01 177.89 1iz8 n ARG 124 N -3.66 1.88 -3.53 2.33 1.74 -0.27 -4.83 116.66 110.31 1iz8 n ARG 124 Ca -0.01 -1.32 -0.41 0.00 -0.77 0.00 0.00 57.85 55.34 1iz8 n ARG 124 Cb 0.20 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 1iz8 n ARG 124 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1iz8 s VAL 125 N -2.03 5.07 0.08 1.55 1.01 -0.68 -0.94 120.40 124.46 1iz8 s VAL 125 Ca 0.33 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 1iz8 s VAL 125 Cb 0.20 -3.71 -0.28 0.00 0.00 0.00 0.00 36.38 32.59 1iz8 s VAL 125 CO 0.34 -0.14 1.14 -0.61 0.00 0.00 0.00 175.10 175.83 1iz8 h GLN 126 N 8.51 0.30 -2.03 2.72 4.15 -0.82 -3.46 115.11 124.48 1iz8 h GLN 126 Ca -0.29 -0.50 0.13 0.00 0.77 0.00 0.00 58.65 58.76 1iz8 h GLN 126 Cb 1.13 0.18 -0.17 0.00 0.21 0.00 0.00 27.48 28.83 1iz8 h GLN 126 CO 0.67 1.23 0.55 0.20 -1.93 0.00 0.00 178.83 179.55 1iz8 s GLY 127 N -4.63 -0.40 -0.08 2.39 0.00 -1.17 -4.32 107.32 99.10 1iz8 s GLY 127 Ca -0.04 1.29 -0.00 0.00 0.00 0.00 0.00 44.72 45.96 1iz8 s GLY 127 CO 0.89 0.49 -0.05 -0.42 0.00 0.00 0.00 173.10 174.01 1iz8 s ILE 128 N -2.65 0.72 -0.24 0.90 1.01 -0.77 -0.52 121.20 119.66 1iz8 s ILE 128 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 1iz8 s ILE 128 Cb -0.01 -0.77 0.02 0.00 0.01 0.00 0.00 42.46 41.71 1iz8 s ILE 128 CO -0.06 0.30 -0.08 0.00 0.00 0.00 0.00 174.94 175.09 1iz8 s ALA 129 N 1.52 2.64 0.17 9.38 0.00 0.12 -0.51 121.76 135.09 1iz8 s ALA 129 Ca -0.00 -1.42 0.07 0.00 0.00 0.00 0.00 51.96 50.60 1iz8 s ALA 129 Cb -0.13 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1iz8 s ALA 129 CO -0.04 -0.73 -0.14 1.52 0.00 0.00 0.00 175.76 176.36 1iz8 s TYR 130 N 1.32 1.57 -0.10 0.00 1.13 -0.50 -1.18 117.35 119.58 1iz8 s TYR 130 Ca 0.01 -0.59 -0.29 0.00 -1.41 0.00 0.00 57.07 54.78 1iz8 s TYR 130 Cb -0.16 -0.76 0.07 0.00 -1.10 0.00 0.00 41.96 40.00 1iz8 s TYR 130 CO -0.06 0.26 0.68 0.00 -2.51 0.00 0.00 175.55 173.92 1iz8 s MET 131 N -3.36 1.00 -0.94 -3.49 0.23 -1.07 -0.92 119.30 110.76 1iz8 s MET 131 Ca 0.18 0.43 -0.22 0.00 -1.03 0.00 0.00 55.69 55.05 1iz8 s MET 131 Cb -0.02 0.48 0.03 0.00 -1.53 0.00 0.00 34.83 33.79 1iz8 s MET 131 CO 0.05 -0.27 0.41 0.39 -2.03 0.00 0.00 175.02 173.57 1iz8 n GLU 132 N 1.34 -0.51 -3.93 3.16 -0.58 -1.26 -3.91 120.64 114.95 1iz8 n GLU 132 Ca -0.18 -0.07 -0.21 0.00 -0.42 0.00 0.00 57.16 56.27 1iz8 n GLU 132 Cb 0.57 -1.72 -0.04 0.00 -0.57 0.00 0.00 31.44 29.67 1iz8 n GLU 132 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iz8 s ALA 133 N -3.94 3.74 -0.89 0.62 0.00 -1.26 -1.52 121.76 118.51 1iz8 s ALA 133 Ca 0.30 -1.56 -0.17 0.00 0.00 0.00 0.00 51.96 50.52 1iz8 s ALA 133 Cb -0.17 -1.22 0.15 0.00 0.00 0.00 0.00 23.12 21.89 1iz8 s ALA 133 CO 0.72 0.10 1.02 0.42 0.00 0.00 0.00 175.76 178.02 1iz8 s ILE 134 N -2.24 4.97 -0.30 0.00 1.01 -1.25 -4.55 121.20 118.84 1iz8 s ILE 134 Ca 0.38 -1.80 0.22 0.00 0.00 0.00 0.00 60.65 59.45 1iz8 s ILE 134 Cb -0.07 -4.69 0.12 0.00 0.01 0.00 0.00 42.46 37.83 1iz8 s ILE 134 CO 0.26 -1.37 1.26 0.00 0.00 0.00 0.00 174.94 175.09 1iz8 h ALA 135 N 8.56 0.71 -2.40 9.38 0.00 -1.94 -3.40 119.26 130.16 1iz8 h ALA 135 Ca 0.13 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1iz8 h ALA 135 Cb 1.03 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1iz8 h ALA 135 CO 1.01 0.12 0.45 0.00 0.00 0.00 0.00 179.25 180.83 1iz8 s MET 136 N -3.25 1.05 0.45 0.00 0.23 -1.26 -4.31 119.30 112.21 1iz8 s MET 136 Ca 0.02 -0.49 -0.24 0.00 -1.03 0.00 0.00 55.69 53.96 1iz8 s MET 136 Cb 0.08 0.42 -0.07 0.00 -1.53 0.00 0.00 34.83 33.72 1iz8 s MET 136 CO 0.75 -0.47 1.23 -1.25 -2.03 0.00 0.00 175.02 173.25 1iz8 s PRO 137 N -3.28 3.74 0.43 3.16 0.04 -1.26 -4.96 135.00 132.87 1iz8 s PRO 137 Ca 0.08 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1iz8 s PRO 137 Cb -0.01 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 1iz8 s PRO 137 CO -0.04 -0.61 0.11 0.96 0.04 0.00 0.00 177.00 177.45 1iz8 s ILE 138 N -1.42 0.72 0.31 0.56 -4.36 -0.05 -5.02 121.20 111.94 1iz8 s ILE 138 Ca 0.62 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 59.11 1iz8 s ILE 138 Cb -0.33 -2.32 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 1iz8 s ILE 138 CO 0.41 0.00 -0.04 -1.61 0.24 0.00 0.00 174.94 173.94 1iz8 s GLU 139 N -3.74 2.03 0.35 0.37 0.41 -1.26 -0.44 118.70 116.42 1iz8 s GLU 139 Ca 0.21 -1.69 0.05 0.00 -0.41 0.00 0.00 54.97 53.13 1iz8 s GLU 139 Cb 0.02 -1.94 0.71 0.00 -1.78 0.00 0.00 34.13 31.14 1iz8 s GLU 139 CO 0.12 0.23 1.95 -1.49 -0.49 0.00 0.00 175.26 175.58 1iz8 h TRP 140 N 1.93 0.81 -0.05 1.61 4.06 -1.96 -0.57 115.95 121.78 1iz8 h TRP 140 Ca -0.42 0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.56 1iz8 h TRP 140 Cb 1.25 -0.27 -0.00 0.00 -1.00 0.00 0.00 29.16 29.14 1iz8 h TRP 140 CO 0.72 0.43 0.05 0.00 -3.56 0.00 0.00 178.44 176.08 1iz8 h ALA 141 N 1.59 1.81 0.00 1.49 0.00 -2.02 0.10 119.26 122.23 1iz8 h ALA 141 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1iz8 h ALA 141 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iz8 h ALA 141 CO -0.11 -0.08 -0.14 -0.25 0.00 0.00 0.00 179.25 178.67 1iz8 n ASP 142 N -4.15 0.27 -4.74 0.00 8.00 -0.23 -4.86 116.55 110.84 1iz8 n ASP 142 Ca -0.02 0.33 -0.40 0.00 0.71 0.00 0.00 54.79 55.41 1iz8 n ASP 142 Cb 0.15 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 1iz8 n ASP 142 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1iz8 s PHE 143 N -3.03 3.87 -0.36 1.24 5.36 0.35 -4.95 117.98 120.46 1iz8 s PHE 143 Ca 0.12 1.77 -0.42 0.00 -0.96 0.00 0.00 56.93 57.44 1iz8 s PHE 143 Cb 0.17 -2.96 -0.17 0.00 -0.34 0.00 0.00 43.02 39.73 1iz8 s PHE 143 CO 0.59 0.34 1.78 -2.30 -1.46 0.00 0.00 175.22 174.16 1iz8 n PRO 144 N 2.23 0.77 0.08 10.12 -0.02 -1.26 -4.82 135.00 142.10 1iz8 n PRO 144 Ca -0.01 0.27 0.04 0.00 -2.02 0.00 0.00 63.50 61.79 1iz8 n PRO 144 Cb 0.49 -1.94 0.45 0.00 -0.02 0.00 0.00 33.50 32.48 1iz8 n PRO 144 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1iz8 h GLU 145 N 7.23 0.36 0.00 -0.52 4.81 -1.92 -2.28 114.58 122.26 1iz8 h GLU 145 Ca -0.41 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1iz8 h GLU 145 Cb 1.34 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1iz8 h GLU 145 CO 0.98 0.30 -0.08 -0.56 -0.73 0.00 0.00 179.01 178.93 1iz8 h GLN 146 N 0.36 0.00 -0.06 1.92 3.07 -2.04 -2.86 115.11 115.51 1iz8 h GLN 146 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 1iz8 h GLN 146 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1iz8 h GLN 146 CO -0.01 0.08 0.00 -0.25 0.09 0.00 0.00 178.83 178.74 1iz8 n ASP 147 N -3.72 1.90 0.08 0.06 8.00 -1.06 -4.78 116.55 117.02 1iz8 n ASP 147 Ca -0.02 -1.70 -0.12 0.00 0.71 0.00 0.00 54.79 53.66 1iz8 n ASP 147 Cb 0.18 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1iz8 n ASP 147 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1iz8 h ARG 148 N 0.53 -0.30 -0.58 -1.24 2.43 -1.17 -0.89 114.38 113.16 1iz8 h ARG 148 Ca 0.00 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1iz8 h ARG 148 Cb 0.41 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1iz8 h ARG 148 CO 0.00 -0.20 0.21 -0.44 -1.51 0.00 0.00 179.97 178.03 1iz8 h ASP 149 N -0.32 0.79 -0.51 -3.80 3.45 -1.86 -1.41 116.42 112.76 1iz8 h ASP 149 Ca 0.04 -0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.36 1iz8 h ASP 149 Cb 0.36 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 1iz8 h ASP 149 CO -0.13 0.73 0.22 0.25 -1.57 0.00 0.00 179.24 178.73 1iz8 h LEU 150 N 0.84 0.70 -0.74 1.55 5.85 -1.79 -1.08 115.31 120.64 1iz8 h LEU 150 Ca 0.20 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1iz8 h LEU 150 Cb 0.20 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1iz8 h LEU 150 CO -0.01 0.66 -0.54 -0.26 -0.34 0.00 0.00 178.44 177.95 1iz8 h PHE 151 N 0.69 0.32 0.00 1.25 -1.00 -0.74 -0.97 116.94 116.49 1iz8 h PHE 151 Ca 0.17 -0.11 -0.08 0.00 2.81 0.00 0.00 57.97 60.76 1iz8 h PHE 151 Cb 0.17 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1iz8 h PHE 151 CO 0.00 0.74 -0.38 1.96 -1.61 0.00 0.00 178.31 179.02 1iz8 h GLN 152 N 0.20 0.00 -0.03 1.51 4.20 -1.10 -2.41 115.11 117.49 1iz8 h GLN 152 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1iz8 h GLN 152 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1iz8 h GLN 152 CO 0.08 0.38 -0.74 0.00 -0.67 0.00 0.00 178.83 177.88 1iz8 h ALA 153 N 1.62 0.68 -0.09 3.87 0.00 -0.34 -2.97 119.26 122.04 1iz8 h ALA 153 Ca -0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 1iz8 h ALA 153 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1iz8 h ALA 153 CO 0.05 0.83 -0.21 0.74 0.00 0.00 0.00 179.25 180.66 1iz8 h PHE 154 N 0.14 0.16 -0.66 0.00 0.04 -0.72 -2.27 116.94 113.62 1iz8 h PHE 154 Ca -0.02 -0.02 -0.37 0.00 2.80 0.00 0.00 57.97 60.35 1iz8 h PHE 154 Cb 1.31 -0.04 -0.20 0.00 2.20 0.00 0.00 35.95 39.21 1iz8 h PHE 154 CO 0.02 0.36 0.48 0.54 -0.60 0.00 0.00 178.31 179.11 1iz8 n ARG 155 N -4.23 1.91 -4.29 1.51 1.74 -1.05 -4.16 116.66 108.09 1iz8 n ARG 155 Ca -0.01 -2.05 -0.17 0.00 -0.77 0.00 0.00 57.85 54.85 1iz8 n ARG 155 Cb 0.31 -1.80 -0.09 0.00 -1.02 0.00 0.00 32.46 29.86 1iz8 n ARG 155 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1iz8 s SER 156 N -0.53 1.24 0.00 0.55 1.04 -0.88 -5.01 113.70 110.11 1iz8 s SER 156 Ca 0.39 -1.56 0.03 0.00 0.48 0.00 0.00 55.95 55.29 1iz8 s SER 156 Cb 0.32 0.42 0.14 0.00 0.10 0.00 0.00 66.02 67.00 1iz8 s SER 156 CO 0.05 -0.91 0.94 0.00 0.98 0.00 0.00 173.24 174.30 1iz8 n GLN 157 N -0.52 0.03 0.00 4.02 1.13 -1.26 -1.34 117.38 119.44 1iz8 n GLN 157 Ca 0.03 0.30 0.13 0.00 -1.94 0.00 0.00 57.00 55.51 1iz8 n GLN 157 Cb 0.65 -1.50 0.33 0.00 0.11 0.00 0.00 30.24 29.83 1iz8 n GLN 157 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1iz8 n ALA 158 N -1.33 3.29 0.14 -1.58 0.00 -1.26 -4.01 120.51 115.77 1iz8 n ALA 158 Ca 0.01 -0.33 0.03 0.00 0.00 0.00 0.00 53.44 53.15 1iz8 n ALA 158 Cb 0.02 -1.17 0.42 0.00 0.00 0.00 0.00 19.45 18.72 1iz8 n ALA 158 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1iz8 h GLY 159 N 4.98 0.20 0.94 0.00 0.00 -0.94 -2.60 103.07 105.66 1iz8 h GLY 159 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1iz8 h GLY 159 CO 0.00 0.11 0.17 0.83 0.00 0.00 0.00 176.54 177.65 1iz8 h GLU 160 N 0.18 0.51 -0.17 4.80 3.07 -1.79 -0.91 114.58 120.26 1iz8 h GLU 160 Ca 0.04 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 1iz8 h GLU 160 Cb 0.35 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1iz8 h GLU 160 CO 0.02 0.47 -0.02 1.49 -1.40 0.00 0.00 179.01 179.57 1iz8 h GLU 161 N 0.43 0.32 -0.29 2.33 4.81 -1.79 0.14 114.58 120.54 1iz8 h GLU 161 Ca 0.12 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1iz8 h GLU 161 Cb 0.13 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1iz8 h GLU 161 CO -0.01 0.57 0.11 -0.07 -0.73 0.00 0.00 179.01 178.87 1iz8 h LEU 162 N 0.05 0.13 0.00 1.64 3.38 -1.42 -0.99 115.31 118.09 1iz8 h LEU 162 Ca 0.05 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1iz8 h LEU 162 Cb 0.44 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1iz8 h LEU 162 CO 0.01 0.11 -0.99 0.52 0.09 0.00 0.00 178.44 178.18 1iz8 n VAL 163 N -5.02 1.47 -0.07 1.22 0.31 -0.35 -1.45 118.33 114.44 1iz8 n VAL 163 Ca -0.01 0.09 -0.05 0.00 -0.01 0.00 0.00 64.34 64.36 1iz8 n VAL 163 Cb 0.10 -2.27 0.14 0.00 -0.91 0.00 0.00 33.84 30.90 1iz8 n VAL 163 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1iz8 h LEU 164 N -1.00 0.70 0.02 7.52 3.38 -1.12 0.10 115.31 124.91 1iz8 h LEU 164 Ca -0.13 -0.22 -0.20 0.00 0.09 0.00 0.00 57.88 57.43 1iz8 h LEU 164 Cb 0.89 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1iz8 h LEU 164 CO -0.08 0.86 -1.05 -0.61 0.09 0.00 0.00 178.44 177.66 1iz8 h GLN 165 N 0.64 0.05 -0.02 1.13 4.15 -1.24 0.25 115.11 120.07 1iz8 h GLN 165 Ca 0.10 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1iz8 h GLN 165 Cb 0.61 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1iz8 h GLN 165 CO 0.04 1.04 -0.35 -0.25 -1.93 0.00 0.00 178.83 177.39 1iz8 n ASP 166 N -4.35 2.14 -3.74 -0.69 8.00 -0.39 -4.85 116.55 112.67 1iz8 n ASP 166 Ca -0.26 -1.57 -0.25 0.00 0.71 0.00 0.00 54.79 53.41 1iz8 n ASP 166 Cb 0.69 0.37 0.05 0.00 -0.02 0.00 0.00 41.12 42.21 1iz8 n ASP 166 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1iz8 n ASN 167 N 0.24 -4.26 -0.23 -2.24 5.15 0.35 -4.87 115.26 109.41 1iz8 n ASN 167 Ca 0.10 -0.71 -0.06 0.00 -0.60 0.00 0.00 54.58 53.31 1iz8 n ASN 167 Cb 0.46 -4.36 0.04 0.00 -0.53 0.00 0.00 39.78 35.40 1iz8 n ASN 167 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1iz8 h VAL 168 N -2.20 1.20 -0.45 3.44 2.07 -1.43 -1.69 116.25 117.19 1iz8 h VAL 168 Ca -0.58 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 66.51 1iz8 h VAL 168 Cb 1.37 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1iz8 h VAL 168 CO 0.60 0.21 0.23 0.15 0.02 0.00 0.00 177.57 178.78 1iz8 h PHE 169 N 0.89 0.43 -0.20 1.57 3.04 -1.90 0.31 116.94 121.07 1iz8 h PHE 169 Ca 0.23 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 62.01 1iz8 h PHE 169 Cb 0.00 -0.13 0.01 0.00 2.56 0.00 0.00 35.95 38.39 1iz8 h PHE 169 CO -0.01 0.22 -0.60 0.28 -2.02 0.00 0.00 178.31 176.17 1iz8 h VAL 170 N 0.46 1.29 0.00 1.41 2.07 -1.91 -1.39 116.25 118.19 1iz8 h VAL 170 Ca 0.19 -1.82 -0.10 0.00 0.82 0.00 0.00 66.70 65.80 1iz8 h VAL 170 Cb 0.09 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1iz8 h VAL 170 CO -0.13 0.58 -1.31 -0.62 0.02 0.00 0.00 177.57 176.10 1iz8 n GLU 171 N -4.05 0.62 -0.02 1.57 -0.58 -0.64 -4.24 120.64 113.30 1iz8 n GLU 171 Ca -0.06 0.16 -0.06 0.00 -0.42 0.00 0.00 57.16 56.77 1iz8 n GLU 171 Cb 0.65 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 1iz8 n GLU 171 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1iz8 n GLN 172 N -2.77 0.22 0.18 3.49 7.27 0.99 -4.57 117.38 122.18 1iz8 n GLN 172 Ca -0.06 0.09 -0.14 0.00 0.07 0.00 0.00 57.00 56.95 1iz8 n GLN 172 Cb 0.72 -0.87 -0.07 0.00 2.41 0.00 0.00 30.24 32.43 1iz8 n GLN 172 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1iz8 h VAL 173 N -0.39 0.40 0.41 1.69 2.07 -1.17 -0.77 116.25 118.48 1iz8 h VAL 173 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1iz8 h VAL 173 Cb 0.65 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1iz8 h VAL 173 CO -0.05 0.00 -0.41 0.25 0.02 0.00 0.00 177.57 177.38 1iz8 h LEU 174 N -0.59 -1.12 -1.04 2.57 5.85 -1.43 -0.70 115.31 118.85 1iz8 h LEU 174 Ca -0.01 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1iz8 h LEU 174 Cb 0.55 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1iz8 h LEU 174 CO -0.07 -0.56 0.40 -0.65 -0.34 0.00 0.00 178.44 177.22 1iz8 h PRO 175 N -0.84 1.07 0.00 5.25 0.11 -1.75 -2.61 132.00 133.23 1iz8 h PRO 175 Ca -0.04 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 1iz8 h PRO 175 Cb 0.74 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 1iz8 h PRO 175 CO -0.07 0.80 -0.05 0.78 -0.21 0.00 0.00 178.00 179.25 1iz8 h GLY 176 N 1.11 0.00 -2.52 -0.55 0.00 -0.72 -2.73 103.07 97.66 1iz8 h GLY 176 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.44 1iz8 h GLY 176 CO -0.04 0.00 0.10 1.04 0.00 0.00 0.00 176.54 177.64 1iz8 n LEU 177 N -3.72 4.83 -4.01 3.11 4.77 -0.31 -4.88 117.00 116.78 1iz8 n LEU 177 Ca -0.02 -3.35 -0.28 0.00 -0.03 0.00 0.00 56.01 52.33 1iz8 n LEU 177 Cb 0.15 -0.65 -0.17 0.00 -2.33 0.00 0.00 43.42 40.42 1iz8 n LEU 177 CO 0.28 0.91 -0.48 -0.63 -1.33 0.00 0.00 177.39 176.15 1iz8 s ILE 178 N -3.04 1.38 0.29 -0.08 1.01 -1.03 -2.09 121.20 117.64 1iz8 s ILE 178 Ca 0.48 -0.55 0.23 0.00 0.00 0.00 0.00 60.65 60.81 1iz8 s ILE 178 Cb 0.40 -1.29 0.23 0.00 0.01 0.00 0.00 42.46 41.81 1iz8 s ILE 178 CO 0.08 0.42 1.92 -0.07 0.00 0.00 0.00 174.94 177.29 1iz8 h LEU 179 N 7.66 0.00 -9.61 2.97 3.38 -1.90 -3.44 115.31 114.37 1iz8 h LEU 179 Ca -0.32 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.00 1iz8 h LEU 179 Cb 1.16 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 1iz8 h LEU 179 CO 0.48 0.22 -0.61 0.00 0.09 0.00 0.00 178.44 178.62 1iz8 s ARG 180 N -3.95 2.83 0.09 1.13 1.04 -1.26 -5.07 118.95 113.76 1iz8 s ARG 180 Ca -0.01 -0.71 -0.31 0.00 -1.04 0.00 0.00 55.73 53.66 1iz8 s ARG 180 Cb 0.12 -2.70 -0.08 0.00 -2.04 0.00 0.00 34.95 30.25 1iz8 s ARG 180 CO 0.63 0.56 1.49 -1.25 -0.04 0.00 0.00 175.30 176.70 1iz8 s PRO 181 N -2.36 4.26 0.62 3.89 0.04 -1.26 -4.99 135.00 135.19 1iz8 s PRO 181 Ca 0.29 2.17 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 1iz8 s PRO 181 Cb -0.12 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 1iz8 s PRO 181 CO 0.21 -0.58 1.03 -0.51 0.04 0.00 0.00 177.00 177.20 1iz8 s LEU 182 N 1.77 3.31 0.56 -3.56 1.43 -1.26 -5.06 118.68 115.87 1iz8 s LEU 182 Ca 0.68 1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 55.28 1iz8 s LEU 182 Cb -0.38 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.36 1iz8 s LEU 182 CO 0.30 -0.99 0.84 -0.94 0.23 0.00 0.00 176.35 175.79 1iz8 s SER 183 N -3.72 5.62 0.22 2.29 1.04 -1.26 -4.92 113.70 112.96 1iz8 s SER 183 Ca 0.57 0.58 -0.08 0.00 0.48 0.00 0.00 55.95 57.50 1iz8 s SER 183 Cb -0.12 -1.62 0.26 0.00 0.10 0.00 0.00 66.02 64.64 1iz8 s SER 183 CO 0.48 -0.99 1.82 -0.08 0.98 0.00 0.00 173.24 175.45 1iz8 h GLU 184 N -0.04 0.72 -0.10 4.02 4.81 -1.99 -1.27 114.58 120.73 1iz8 h GLU 184 Ca -0.45 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.62 1iz8 h GLU 184 Cb 1.26 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1iz8 h GLU 184 CO 0.59 0.48 -0.46 0.00 -0.73 0.00 0.00 179.01 178.89 1iz8 h ALA 185 N 1.36 1.04 -0.27 2.92 0.00 -1.98 -1.73 119.26 120.61 1iz8 h ALA 185 Ca 0.32 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1iz8 h ALA 185 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1iz8 h ALA 185 CO -0.18 0.63 -0.47 0.93 0.00 0.00 0.00 179.25 180.15 1iz8 h GLU 186 N 0.20 0.71 -0.11 0.00 5.08 -1.72 -2.17 114.58 116.57 1iz8 h GLU 186 Ca 0.01 -0.41 -0.15 0.00 -1.00 0.00 0.00 59.36 57.82 1iz8 h GLU 186 Cb 0.89 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1iz8 h GLU 186 CO 0.07 1.02 -0.56 0.52 -1.00 0.00 0.00 179.01 179.07 1iz8 h MET 187 N 0.56 0.34 -0.05 2.33 2.86 -1.07 -2.89 114.93 117.01 1iz8 h MET 187 Ca 0.03 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1iz8 h MET 187 Cb 1.03 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1iz8 h MET 187 CO 0.10 0.81 0.03 0.00 1.06 0.00 0.00 176.91 178.91 1iz8 h ALA 188 N 1.15 0.07 -0.45 6.32 0.00 -1.14 -0.50 119.26 124.70 1iz8 h ALA 188 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1iz8 h ALA 188 Cb 1.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1iz8 h ALA 188 CO 0.09 -0.40 0.30 0.00 0.00 0.00 0.00 179.25 179.24 1iz8 h ALA 189 N 0.95 1.80 0.16 0.00 0.00 -1.34 0.13 119.26 120.95 1iz8 h ALA 189 Ca 0.02 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1iz8 h ALA 189 Cb 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 17.75 1iz8 h ALA 189 CO -0.00 0.15 -1.31 1.88 0.00 0.00 0.00 179.25 179.97 1iz8 h TYR 190 N 0.49 0.98 0.00 0.00 0.05 -1.26 -3.32 116.97 113.92 1iz8 h TYR 190 Ca 0.18 -0.65 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1iz8 h TYR 190 Cb 0.11 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.78 1iz8 h TYR 190 CO -0.00 1.49 -0.09 0.07 -1.05 0.00 0.00 178.16 178.58 1iz8 h ARG 191 N 0.24 0.00 -0.45 4.88 0.11 -0.74 -3.38 114.38 115.03 1iz8 h ARG 191 Ca -0.20 0.00 0.09 0.00 0.10 0.00 0.00 59.98 59.97 1iz8 h ARG 191 Cb 1.98 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.98 1iz8 h ARG 191 CO 0.25 0.00 -0.05 1.49 0.10 0.00 0.00 179.97 181.75 1iz8 h GLU 192 N 0.00 0.05 0.00 0.08 4.81 -0.86 -0.29 114.58 118.38 1iz8 h GLU 192 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1iz8 h GLU 192 Cb 0.78 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1iz8 h GLU 192 CO 0.00 0.04 0.00 -2.30 -0.73 0.00 0.00 179.01 176.02 1iz8 n PRO 193 N -5.27 0.16 -1.21 0.92 -0.02 -1.26 -2.86 135.00 125.46 1iz8 n PRO 193 Ca 0.04 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 62.01 1iz8 n PRO 193 Cb 0.25 -1.89 0.13 0.00 -0.02 0.00 0.00 33.50 31.97 1iz8 n PRO 193 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1iz8 n PHE 194 N -2.20 0.74 0.13 6.00 3.72 -0.19 -4.78 117.46 120.88 1iz8 n PHE 194 Ca 0.01 -1.57 0.01 0.00 -0.05 0.00 0.00 57.45 55.84 1iz8 n PHE 194 Cb 0.14 -0.26 0.31 0.00 -0.94 0.00 0.00 39.48 38.73 1iz8 n PHE 194 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1iz8 h LEU 195 N 1.38 0.15 -9.38 4.37 3.38 -1.21 -3.43 115.31 110.57 1iz8 h LEU 195 Ca 0.05 -0.05 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 1iz8 h LEU 195 Cb 1.28 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 1iz8 h LEU 195 CO 0.21 0.49 0.05 0.00 0.09 0.00 0.00 178.44 179.28 1iz8 s ALA 196 N -4.27 3.37 0.67 1.53 0.00 -1.26 -5.06 121.76 116.74 1iz8 s ALA 196 Ca -0.04 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 1iz8 s ALA 196 Cb 0.14 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.37 1iz8 s ALA 196 CO 0.75 -0.06 1.12 0.00 0.00 0.00 0.00 175.76 177.57 1iz8 s ALA 197 N 0.64 2.41 0.00 0.00 0.00 -1.26 -4.31 121.76 119.25 1iz8 s ALA 197 Ca 0.36 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1iz8 s ALA 197 Cb -0.18 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1iz8 s ALA 197 CO 0.17 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.97 1iz8 n GLY 198 N -0.41 0.65 0.33 0.00 0.00 0.88 -4.55 105.19 102.08 1iz8 n GLY 198 Ca 0.11 -1.64 0.17 0.00 0.00 0.00 0.00 46.02 44.65 1iz8 n GLY 198 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iz8 h GLU 199 N 0.00 0.00 0.00 1.61 4.39 -1.87 -2.06 114.58 116.64 1iz8 h GLU 199 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iz8 h GLU 199 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1iz8 h GLU 199 CO 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.84 1iz8 h ALA 200 N 1.82 1.49 -0.01 3.43 0.00 -1.80 -0.33 119.26 123.85 1iz8 h ALA 200 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1iz8 h ALA 200 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1iz8 h ALA 200 CO -0.00 0.02 -0.26 0.54 0.00 0.00 0.00 179.25 179.55 1iz8 n ARG 201 N -3.81 1.30 -0.34 0.00 1.74 -0.78 -4.48 116.66 110.28 1iz8 n ARG 201 Ca -0.03 -0.93 0.17 0.00 -0.77 0.00 0.00 57.85 56.29 1iz8 n ARG 201 Cb 0.10 -1.48 0.39 0.00 -1.02 0.00 0.00 32.46 30.44 1iz8 n ARG 201 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1iz8 h ARG 202 N 2.28 0.58 -0.52 5.56 9.65 -1.11 -0.73 114.38 130.08 1iz8 h ARG 202 Ca 0.00 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1iz8 h ARG 202 Cb 0.66 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 1iz8 h ARG 202 CO 0.00 0.38 0.35 -1.35 2.80 0.00 0.00 179.97 182.15 1iz8 h PRO 203 N 0.60 0.63 0.00 0.20 0.11 -1.78 -0.22 132.00 131.54 1iz8 h PRO 203 Ca 0.63 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.70 1iz8 h PRO 203 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1iz8 h PRO 203 CO -0.45 0.42 0.00 0.25 -0.21 0.00 0.00 178.00 178.01 1iz8 n THR 204 N -4.46 0.15 -0.09 -1.15 -2.24 -0.28 -2.43 114.28 103.78 1iz8 n THR 204 Ca 0.05 0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 1iz8 n THR 204 Cb 0.09 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 67.63 1iz8 n THR 204 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1iz8 n LEU 205 N -1.32 2.10 0.17 3.22 7.94 -0.75 -4.46 117.00 123.89 1iz8 n LEU 205 Ca 0.12 -0.07 0.03 0.00 -1.11 0.00 0.00 56.01 54.97 1iz8 n LEU 205 Cb 0.23 -0.37 0.40 0.00 0.53 0.00 0.00 43.42 44.21 1iz8 n LEU 205 CO 0.21 0.69 0.83 0.28 -1.11 0.00 0.00 177.39 178.29 1iz8 h SER 206 N 0.00 0.10 0.62 1.96 0.02 -1.05 -3.14 113.55 112.06 1iz8 h SER 206 Ca -0.43 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 1iz8 h SER 206 Cb 1.75 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 64.27 1iz8 h SER 206 CO -0.04 0.34 -0.30 -0.50 -1.14 0.00 0.00 176.83 175.19 1iz8 h TRP 207 N 0.10 -0.77 -0.03 3.45 -0.00 -1.70 -2.38 115.95 114.62 1iz8 h TRP 207 Ca 0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1iz8 h TRP 207 Cb 0.47 0.25 -0.00 0.00 -0.00 0.00 0.00 29.16 29.88 1iz8 h TRP 207 CO 0.00 -0.43 0.09 -1.00 -0.00 0.00 0.00 178.44 177.10 1iz8 h PRO 208 N -0.98 0.00 0.00 0.49 0.13 -1.77 0.21 132.00 130.08 1iz8 h PRO 208 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1iz8 h PRO 208 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1iz8 h PRO 208 CO 0.14 0.00 -0.11 0.54 -0.23 0.00 0.00 178.00 178.34 1iz8 n ARG 209 N -3.30 0.12 0.05 0.86 1.74 -1.04 -3.20 116.66 111.88 1iz8 n ARG 209 Ca -0.02 0.08 0.11 0.00 -0.77 0.00 0.00 57.85 57.26 1iz8 n ARG 209 Cb 0.17 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 1iz8 n ARG 209 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1iz8 n GLN 210 N -1.83 0.49 -1.65 5.56 1.13 0.71 -4.49 117.38 117.30 1iz8 n GLN 210 Ca 0.06 0.00 -0.47 0.00 -1.94 0.00 0.00 57.00 54.65 1iz8 n GLN 210 Cb 0.38 -1.67 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 1iz8 n GLN 210 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1iz8 n ILE 211 N -2.29 0.41 -2.47 5.09 5.41 -1.06 -4.44 119.36 120.00 1iz8 n ILE 211 Ca -0.00 -0.10 -0.40 0.00 1.00 0.00 0.00 62.75 63.25 1iz8 n ILE 211 Cb 0.51 -1.34 -0.01 0.00 -0.71 0.00 0.00 39.64 38.09 1iz8 n ILE 211 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1iz8 s PRO 212 N 0.27 3.66 -0.03 0.38 0.04 -1.26 -3.95 135.00 134.10 1iz8 s PRO 212 Ca 0.75 -1.77 0.06 0.00 0.04 0.00 0.00 61.00 60.09 1iz8 s PRO 212 Cb -0.73 -5.47 -0.01 0.00 0.04 0.00 0.00 34.50 28.33 1iz8 s PRO 212 CO 0.45 -2.61 -0.23 0.42 0.04 0.00 0.00 177.00 175.07 1iz8 s ILE 213 N 5.67 1.85 -1.63 0.56 1.01 -1.06 -0.87 121.20 126.72 1iz8 s ILE 213 Ca 0.57 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 1iz8 s ILE 213 Cb 0.03 -1.55 0.12 0.00 0.01 0.00 0.00 42.46 41.07 1iz8 s ILE 213 CO 0.08 0.52 0.80 0.00 0.00 0.00 0.00 174.94 176.34 1iz8 n ALA 214 N 2.72 -1.35 -0.17 9.38 0.00 0.41 -1.96 120.51 129.55 1iz8 n ALA 214 Ca -0.16 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1iz8 n ALA 214 Cb 0.52 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.46 1iz8 n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iz8 n GLY 215 N -1.54 2.19 3.19 0.00 0.00 -1.26 -5.00 105.19 102.78 1iz8 n GLY 215 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1iz8 n GLY 215 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iz8 s THR 216 N -2.83 1.59 0.28 2.61 2.01 -0.83 -3.09 115.64 115.38 1iz8 s THR 216 Ca 0.00 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 60.88 1iz8 s THR 216 Cb 0.00 -1.34 -0.09 0.00 0.01 0.00 0.00 72.50 71.08 1iz8 s THR 216 CO 0.00 0.45 0.98 -2.16 -0.69 0.00 0.00 174.62 173.20 1iz8 s PRO 217 N -0.26 4.71 0.27 4.92 0.04 -1.25 -2.58 135.00 140.84 1iz8 s PRO 217 Ca 0.02 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1iz8 s PRO 217 Cb -0.10 -3.09 0.43 0.00 0.04 0.00 0.00 34.50 31.79 1iz8 s PRO 217 CO 0.01 0.36 1.87 0.00 0.04 0.00 0.00 177.00 179.28 1iz8 h ALA 218 N 3.73 1.40 -0.49 8.56 0.00 -1.96 -1.49 119.26 129.01 1iz8 h ALA 218 Ca -0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1iz8 h ALA 218 Cb 1.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1iz8 h ALA 218 CO 0.67 0.38 0.06 0.38 0.00 0.00 0.00 179.25 180.74 1iz8 h ASP 219 N 1.11 0.80 -0.33 0.00 2.03 -1.99 -1.27 116.42 116.78 1iz8 h ASP 219 Ca 0.44 -0.27 -0.14 0.00 -0.73 0.00 0.00 57.03 56.34 1iz8 h ASP 219 Cb 0.25 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.52 1iz8 h ASP 219 CO -0.20 0.87 -0.31 0.58 -1.03 0.00 0.00 179.24 179.16 1iz8 h VAL 220 N 0.70 1.28 -0.20 4.15 2.07 -1.84 -1.64 116.25 120.77 1iz8 h VAL 220 Ca 0.15 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.24 1iz8 h VAL 220 Cb 0.42 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1iz8 h VAL 220 CO 0.01 0.49 -0.00 0.58 0.02 0.00 0.00 177.57 178.67 1iz8 h VAL 221 N 0.72 0.86 -0.82 2.57 2.07 -1.15 0.37 116.25 120.87 1iz8 h VAL 221 Ca 0.08 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.59 1iz8 h VAL 221 Cb 0.86 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1iz8 h VAL 221 CO 0.08 0.01 0.54 0.00 0.02 0.00 0.00 177.57 178.22 1iz8 h ALA 222 N 1.17 1.04 -0.37 1.67 0.00 -1.02 0.29 119.26 122.03 1iz8 h ALA 222 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1iz8 h ALA 222 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1iz8 h ALA 222 CO -0.16 0.45 0.14 0.82 0.00 0.00 0.00 179.25 180.50 1iz8 h ILE 223 N 1.11 1.19 -0.44 0.00 2.04 -0.70 0.03 117.51 120.74 1iz8 h ILE 223 Ca 0.30 -0.60 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 1iz8 h ILE 223 Cb -0.13 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1iz8 h ILE 223 CO -0.06 0.22 -0.13 0.00 0.00 0.00 0.00 178.15 178.17 1iz8 h ALA 224 N 0.99 0.95 -0.44 1.87 0.00 -0.47 -1.47 119.26 120.68 1iz8 h ALA 224 Ca 0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1iz8 h ALA 224 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1iz8 h ALA 224 CO -0.01 0.62 0.12 -0.09 0.00 0.00 0.00 179.25 179.89 1iz8 h ARG 225 N 0.73 0.65 0.61 0.00 9.65 -0.21 -1.22 114.38 124.59 1iz8 h ARG 225 Ca 0.12 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 1iz8 h ARG 225 Cb 0.62 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 29.10 1iz8 h ARG 225 CO 0.04 0.58 -0.29 0.22 2.80 0.00 0.00 179.97 183.32 1iz8 h ASP 226 N 0.63 -0.69 1.38 -3.80 1.82 -0.02 -2.30 116.42 113.45 1iz8 h ASP 226 Ca 0.15 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.72 1iz8 h ASP 226 Cb 0.22 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1iz8 h ASP 226 CO -0.01 -0.42 -0.25 0.10 -1.61 0.00 0.00 179.24 177.05 1iz8 h TYR 227 N -0.93 0.00 -0.20 0.28 -0.00 -1.27 -2.40 116.97 112.44 1iz8 h TYR 227 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.58 1iz8 h TYR 227 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.39 1iz8 h TYR 227 CO -0.01 0.25 -0.12 0.00 -0.00 0.00 0.00 178.16 178.28 1iz8 h ALA 228 N 1.75 0.29 0.00 0.10 0.00 -1.26 0.30 119.26 120.45 1iz8 h ALA 228 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1iz8 h ALA 228 Cb 1.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1iz8 h ALA 228 CO 0.03 0.14 -0.08 0.78 0.00 0.00 0.00 179.25 180.13 1iz8 h GLY 229 N 0.13 -0.09 0.86 0.00 0.00 -1.34 -1.39 103.07 101.25 1iz8 h GLY 229 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1iz8 h GLY 229 CO 0.03 -0.08 -0.23 -0.25 0.00 0.00 0.00 176.54 176.01 1iz8 h TRP 230 N -0.14 -0.60 -0.94 5.60 7.01 -1.35 -3.01 115.95 122.51 1iz8 h TRP 230 Ca 0.03 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.14 1iz8 h TRP 230 Cb 0.17 0.22 -0.07 0.00 -2.10 0.00 0.00 29.16 27.37 1iz8 h TRP 230 CO -0.14 -0.35 0.60 -0.07 -2.79 0.00 0.00 178.44 175.69 1iz8 h LEU 231 N -0.56 0.84 -2.36 0.65 3.38 -0.25 -0.04 115.31 116.97 1iz8 h LEU 231 Ca -0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1iz8 h LEU 231 Cb 0.47 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1iz8 h LEU 231 CO 0.02 0.46 -0.04 0.77 0.09 0.00 0.00 178.44 179.75 1iz8 h SER 232 N 0.90 0.00 0.00 -0.43 4.64 -1.12 -2.99 113.55 114.56 1iz8 h SER 232 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1iz8 h SER 232 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1iz8 h SER 232 CO -0.22 0.04 -0.48 -0.62 -0.87 0.00 0.00 176.83 174.68 1iz8 n GLU 233 N -3.42 3.99 -2.30 4.77 -0.58 -0.40 -4.22 120.64 118.48 1iz8 n GLU 233 Ca -0.02 -0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.30 1iz8 n GLU 233 Cb 0.15 -0.90 -0.03 0.00 -0.57 0.00 0.00 31.44 30.10 1iz8 n GLU 233 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1iz8 s SER 234 N -1.86 7.00 0.00 1.62 0.15 -0.17 -4.94 113.70 115.51 1iz8 s SER 234 Ca 0.02 2.33 0.27 0.00 0.70 0.00 0.00 55.95 59.27 1iz8 s SER 234 Cb 0.06 -2.61 1.37 0.00 -1.71 0.00 0.00 66.02 63.12 1iz8 s SER 234 CO 0.31 -0.44 1.91 -0.81 1.20 0.00 0.00 173.24 175.41 1iz8 n PRO 235 N 2.42 1.28 -1.70 5.44 -0.04 -1.26 -4.43 135.00 136.71 1iz8 n PRO 235 Ca 0.05 -0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 62.67 1iz8 n PRO 235 Cb 0.44 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1iz8 n PRO 235 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1iz8 n ILE 236 N -0.47 0.00 -1.69 0.52 5.41 -1.26 -4.79 119.36 117.09 1iz8 n ILE 236 Ca 0.20 -0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.52 1iz8 n ILE 236 Cb 0.20 -1.84 -0.01 0.00 -0.71 0.00 0.00 39.64 37.28 1iz8 n ILE 236 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1iz8 n PRO 237 N 3.80 2.10 -4.16 0.38 -0.02 -1.26 -4.78 135.00 131.06 1iz8 n PRO 237 Ca 0.16 0.74 -0.16 0.00 -2.02 0.00 0.00 63.50 62.23 1iz8 n PRO 237 Cb 0.33 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 1iz8 n PRO 237 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1iz8 s LYS 238 N -1.53 0.45 -0.28 -0.52 1.02 -0.53 -1.84 119.74 116.52 1iz8 s LYS 238 Ca 0.58 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 56.31 1iz8 s LYS 238 Cb -0.59 -0.42 0.04 0.00 -0.52 0.00 0.00 37.83 36.35 1iz8 s LYS 238 CO 0.59 0.11 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.94 1iz8 s LEU 239 N -0.26 3.68 -0.49 3.17 2.96 0.34 0.08 118.68 128.15 1iz8 s LEU 239 Ca 0.01 -1.17 -0.18 0.00 -0.22 0.00 0.00 54.13 52.57 1iz8 s LEU 239 Cb -0.03 -1.69 0.06 0.00 0.50 0.00 0.00 46.19 45.03 1iz8 s LEU 239 CO -0.00 -0.22 0.56 0.12 -1.32 0.00 0.00 176.35 175.49 1iz8 s PHE 240 N 1.26 3.10 -0.77 5.38 5.36 0.16 -1.41 117.98 131.06 1iz8 s PHE 240 Ca -0.04 -0.59 -0.20 0.00 -0.96 0.00 0.00 56.93 55.14 1iz8 s PHE 240 Cb -0.19 -3.40 0.11 0.00 -0.34 0.00 0.00 43.02 39.20 1iz8 s PHE 240 CO -0.02 -0.95 0.99 0.42 -1.46 0.00 0.00 175.22 174.20 1iz8 s ILE 241 N 2.39 4.62 0.51 3.12 1.01 -0.10 -2.26 121.20 130.49 1iz8 s ILE 241 Ca 0.13 -1.06 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 1iz8 s ILE 241 Cb -0.20 -4.69 -0.08 0.00 0.01 0.00 0.00 42.46 37.50 1iz8 s ILE 241 CO 0.11 -1.42 1.00 0.21 0.00 0.00 0.00 174.94 174.84 1iz8 s ASN 242 N 3.62 6.50 0.12 3.58 2.47 0.11 -4.39 114.94 126.93 1iz8 s ASN 242 Ca 0.25 1.68 0.09 0.00 0.42 0.00 0.00 52.86 55.30 1iz8 s ASN 242 Cb -0.12 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.11 1iz8 s ASN 242 CO 0.00 -0.67 -0.21 0.00 -3.72 0.00 0.00 177.10 172.50 1iz8 s ALA 243 N -2.43 1.90 -0.10 1.71 0.00 -1.26 -0.65 121.76 120.93 1iz8 s ALA 243 Ca 0.61 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1iz8 s ALA 243 Cb -0.12 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1iz8 s ALA 243 CO 0.27 0.36 -0.08 -2.00 0.00 0.00 0.00 175.76 174.32 1iz8 s GLU 244 N -2.07 1.44 0.00 0.00 2.56 -0.53 -2.50 118.70 117.61 1iz8 s GLU 244 Ca 0.09 -0.24 0.21 0.00 0.00 0.00 0.00 54.97 55.03 1iz8 s GLU 244 Cb -0.09 -1.47 1.02 0.00 2.00 0.00 0.00 34.13 35.59 1iz8 s GLU 244 CO 0.05 -0.22 1.68 -0.35 -0.56 0.00 0.00 175.26 175.87 1iz8 n PRO 245 N 4.74 0.21 -0.93 4.30 -0.04 -1.04 -1.49 135.00 140.74 1iz8 n PRO 245 Ca -0.14 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.55 1iz8 n PRO 245 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1iz8 n PRO 245 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iz8 n GLY 246 N 0.58 -1.80 0.94 0.55 0.00 0.64 -4.97 105.19 101.13 1iz8 n GLY 246 Ca 0.08 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1iz8 n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iz8 n ALA 247 N -1.61 1.30 0.04 4.61 0.00 -1.00 -4.65 120.51 119.20 1iz8 n ALA 247 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1iz8 n ALA 247 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1iz8 n ALA 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1iz8 h LEU 248 N 0.00 -0.08 -7.45 0.00 5.85 -1.92 -3.37 115.31 108.34 1iz8 h LEU 248 Ca 0.00 -0.29 -0.75 0.00 0.84 0.00 0.00 57.88 57.68 1iz8 h LEU 248 Cb 0.00 0.02 -0.19 0.00 0.37 0.00 0.00 40.66 40.86 1iz8 h LEU 248 CO 0.00 0.25 1.35 0.41 -0.34 0.00 0.00 178.44 180.12 1iz8 n THR 249 N -4.98 4.35 -4.12 1.05 -1.04 -1.26 -4.85 114.28 103.42 1iz8 n THR 249 Ca -0.08 -4.79 -0.16 0.00 -2.04 0.00 0.00 64.05 56.98 1iz8 n THR 249 Cb 0.20 -2.45 -0.04 0.00 -1.82 0.00 0.00 70.33 66.21 1iz8 n THR 249 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1iz8 s THR 250 N 0.88 0.00 0.00 12.58 -4.23 -1.26 -4.59 115.64 119.02 1iz8 s THR 250 Ca 0.41 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1iz8 s THR 250 Cb -0.01 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1iz8 s THR 250 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1iz8 n GLY 251 N -0.61 2.70 0.23 3.99 0.00 -1.26 -2.76 105.19 107.48 1iz8 n GLY 251 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 1iz8 n GLY 251 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1iz8 h ARG 252 N 0.00 0.48 -0.81 1.61 3.08 -1.96 -0.26 114.38 116.52 1iz8 h ARG 252 Ca 0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1iz8 h ARG 252 Cb 0.00 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1iz8 h ARG 252 CO 0.00 0.32 0.53 1.98 -1.07 0.00 0.00 179.97 181.73 1iz8 h MET 253 N 0.50 1.08 -0.23 0.04 4.05 -1.86 -0.40 114.93 118.11 1iz8 h MET 253 Ca 0.28 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.52 1iz8 h MET 253 Cb 0.26 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1iz8 h MET 253 CO -0.23 0.72 -0.33 -0.09 0.23 0.00 0.00 176.91 177.21 1iz8 h ARG 254 N 1.11 0.48 -0.45 0.39 2.43 -1.26 0.67 114.38 117.74 1iz8 h ARG 254 Ca 0.30 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1iz8 h ARG 254 Cb -0.11 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1iz8 h ARG 254 CO -0.06 0.75 0.30 -0.44 -1.51 0.00 0.00 179.97 179.01 1iz8 h ASP 255 N 0.41 0.52 -0.01 -3.80 3.32 -0.25 -1.55 116.42 115.06 1iz8 h ASP 255 Ca 0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1iz8 h ASP 255 Cb 0.78 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1iz8 h ASP 255 CO 0.06 0.38 0.00 0.15 -1.72 0.00 0.00 179.24 178.11 1iz8 h PHE 256 N 0.62 0.01 -0.51 4.55 3.57 -0.61 -2.97 116.94 121.61 1iz8 h PHE 256 Ca 0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1iz8 h PHE 256 Cb -0.07 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1iz8 h PHE 256 CO -0.04 0.13 0.34 0.00 -2.23 0.00 0.00 178.31 176.50 1iz8 n ARG 258 N -4.46 0.25 0.01 0.00 1.74 -0.60 -1.70 116.66 111.89 1iz8 n ARG 258 Ca 0.05 0.11 0.11 0.00 -0.77 0.00 0.00 57.85 57.35 1iz8 n ARG 258 Cb 0.06 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.98 1iz8 n ARG 258 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1iz8 n THR 259 N -1.18 0.07 -2.25 0.55 -1.04 -0.03 -4.96 114.28 105.43 1iz8 n THR 259 Ca 0.07 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 61.52 1iz8 n THR 259 Cb 0.08 0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 69.02 1iz8 n THR 259 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1iz8 s TRP 260 N -3.14 3.22 0.62 -1.42 0.51 -0.69 -4.98 118.94 113.06 1iz8 s TRP 260 Ca 0.05 1.53 -0.17 0.00 -2.12 0.00 0.00 56.10 55.38 1iz8 s TRP 260 Cb 0.15 -3.51 -0.02 0.00 -0.81 0.00 0.00 33.47 29.28 1iz8 s TRP 260 CO 0.82 -1.37 1.14 -2.14 -0.51 0.00 0.00 176.95 174.90 1iz8 s PRO 261 N -1.76 2.92 -1.51 4.98 0.02 -1.26 -4.16 135.00 134.24 1iz8 s PRO 261 Ca 0.49 1.57 -0.08 0.00 0.02 0.00 0.00 61.00 63.00 1iz8 s PRO 261 Cb -0.36 -1.95 0.06 0.00 0.02 0.00 0.00 34.50 32.27 1iz8 s PRO 261 CO 0.47 -1.19 0.63 -1.71 -0.33 0.00 0.00 177.00 174.88 1iz8 n ASN 262 N -1.98 -1.94 -4.30 2.53 2.85 -1.26 -4.58 115.26 106.58 1iz8 n ASN 262 Ca 0.12 -0.96 -0.32 0.00 -0.11 0.00 0.00 54.58 53.31 1iz8 n ASN 262 Cb 0.51 -3.17 -0.16 0.00 1.24 0.00 0.00 39.78 38.20 1iz8 n ASN 262 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1iz8 s GLN 263 N -6.63 2.64 -0.07 1.20 0.74 -1.26 -1.45 119.66 114.83 1iz8 s GLN 263 Ca 0.32 -0.86 -0.05 0.00 0.05 0.00 0.00 55.36 54.82 1iz8 s GLN 263 Cb -0.17 -2.23 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 1iz8 s GLN 263 CO 0.89 0.38 0.16 0.99 -0.55 0.00 0.00 175.29 177.16 1iz8 s THR 264 N -0.16 5.46 0.04 -0.34 2.01 0.11 -4.96 115.64 117.81 1iz8 s THR 264 Ca -0.03 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.06 1iz8 s THR 264 Cb -0.14 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 1iz8 s THR 264 CO 0.04 0.49 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.62 1iz8 s GLU 265 N -1.42 0.92 -0.01 4.92 2.12 -1.26 0.37 118.70 124.35 1iz8 s GLU 265 Ca 0.20 -0.78 -0.12 0.00 0.36 0.00 0.00 54.97 54.63 1iz8 s GLU 265 Cb -0.12 -0.93 0.01 0.00 0.26 0.00 0.00 34.13 33.35 1iz8 s GLU 265 CO 0.10 0.23 0.25 -1.50 -0.54 0.00 0.00 175.26 173.80 1iz8 s ILE 266 N -0.90 0.07 -0.06 -3.70 -1.16 -0.96 -4.98 121.20 109.52 1iz8 s ILE 266 Ca 0.01 -0.56 0.06 0.00 -0.51 0.00 0.00 60.65 59.64 1iz8 s ILE 266 Cb -0.08 -0.56 -0.01 0.00 0.61 0.00 0.00 42.46 42.42 1iz8 s ILE 266 CO 0.01 -0.31 -0.23 0.42 -2.81 0.00 0.00 174.94 172.03 1iz8 s THR 267 N -1.39 2.27 0.20 4.00 -4.23 -1.26 0.05 115.64 115.29 1iz8 s THR 267 Ca -0.14 -1.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.46 1iz8 s THR 267 Cb -0.06 -1.84 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 1iz8 s THR 267 CO 0.03 0.57 -0.15 0.68 -0.54 0.00 0.00 174.62 175.21 1iz8 s VAL 268 N -0.28 1.78 0.24 2.29 -7.23 0.17 -4.96 120.40 112.41 1iz8 s VAL 268 Ca 0.00 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.72 1iz8 s VAL 268 Cb -0.13 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 1iz8 s VAL 268 CO 0.03 -0.53 1.29 0.00 -0.31 0.00 0.00 175.10 175.57 1iz8 s ALA 269 N -2.76 3.51 0.00 1.32 0.00 -1.26 -1.45 121.76 121.12 1iz8 s ALA 269 Ca 0.21 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1iz8 s ALA 269 Cb -0.02 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1iz8 s ALA 269 CO 0.07 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1iz8 n GLY 270 N 1.80 2.94 0.00 0.00 0.00 -0.56 -4.17 105.19 105.21 1iz8 n GLY 270 Ca 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1iz8 n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iz8 n ALA 271 N -1.27 0.06 -0.05 4.61 0.00 -1.26 -0.26 120.51 122.34 1iz8 n ALA 271 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1iz8 n ALA 271 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1iz8 n ALA 271 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1iz8 n HIS 272 N 0.00 0.00 -1.71 0.00 -0.00 -0.89 -2.37 115.22 110.25 1iz8 n HIS 272 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 1iz8 n HIS 272 Cb 0.00 -0.39 -0.02 0.00 -0.12 0.00 0.00 29.99 29.47 1iz8 n HIS 272 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1iz8 n PHE 273 N -4.07 2.52 0.26 1.57 3.01 -1.11 -4.72 117.46 114.91 1iz8 n PHE 273 Ca -0.14 -2.93 0.16 0.00 1.01 0.00 0.00 57.45 55.55 1iz8 n PHE 273 Cb 0.42 -2.10 0.87 0.00 -0.01 0.00 0.00 39.48 38.66 1iz8 n PHE 273 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 1iz8 h ILE 274 N 2.76 0.00 0.00 4.37 3.07 -1.84 -1.37 117.51 124.49 1iz8 h ILE 274 Ca 0.78 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 67.18 1iz8 h ILE 274 Cb 0.29 0.71 -0.00 0.00 -0.27 0.00 0.00 36.82 37.55 1iz8 h ILE 274 CO 1.60 0.00 -0.00 1.56 -1.05 0.00 0.00 178.15 180.26 1iz8 h GLN 275 N 0.00 0.00 0.00 0.16 7.50 -1.89 -0.06 115.11 120.82 1iz8 h GLN 275 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1iz8 h GLN 275 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 1iz8 h GLN 275 CO 0.00 0.00 -0.77 0.93 -1.50 0.00 0.00 178.83 177.49 1iz8 h GLU 276 N 0.00 0.00 0.01 1.46 4.39 -1.56 -3.25 114.58 115.63 1iz8 h GLU 276 Ca -0.00 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 1iz8 h GLU 276 Cb 0.09 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 1iz8 h GLU 276 CO 0.00 0.00 -2.40 -0.25 -1.16 0.00 0.00 179.01 175.20 1iz8 n ASP 277 N -2.37 1.11 -2.82 1.42 8.00 -0.17 -4.73 116.55 116.98 1iz8 n ASP 277 Ca 0.02 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 1iz8 n ASP 277 Cb 0.49 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1iz8 n ASP 277 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1iz8 n SER 278 N -3.05 2.01 -0.26 -2.24 7.64 -0.43 -4.95 113.62 112.35 1iz8 n SER 278 Ca -0.39 -3.04 0.03 0.00 1.01 0.00 0.00 58.87 56.48 1iz8 n SER 278 Cb 1.07 -0.55 0.16 0.00 -1.01 0.00 0.00 64.21 63.88 1iz8 n SER 278 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1iz8 h PRO 279 N 2.94 0.58 -0.06 1.43 0.13 -1.74 -1.30 132.00 133.98 1iz8 h PRO 279 Ca 0.04 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.97 1iz8 h PRO 279 Cb 1.01 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1iz8 h PRO 279 CO 0.58 0.38 -0.70 -0.44 -0.23 0.00 0.00 178.00 177.59 1iz8 h ASP 280 N 0.60 0.34 -0.30 1.44 3.32 -1.91 0.33 116.42 120.25 1iz8 h ASP 280 Ca 0.38 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1iz8 h ASP 280 Cb 0.45 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1iz8 h ASP 280 CO -0.30 0.94 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.75 1iz8 h GLU 281 N 0.20 0.57 0.14 3.56 3.07 -1.90 0.37 114.58 120.60 1iz8 h GLU 281 Ca -0.02 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 1iz8 h GLU 281 Cb 1.26 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1iz8 h GLU 281 CO 0.11 0.77 -0.07 0.82 -1.40 0.00 0.00 179.01 179.25 1iz8 h ILE 282 N 0.34 0.97 -0.15 3.13 2.04 -1.17 -2.45 117.51 120.22 1iz8 h ILE 282 Ca 0.07 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.48 1iz8 h ILE 282 Cb 0.56 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1iz8 h ILE 282 CO 0.03 0.12 -0.15 1.23 0.00 0.00 0.00 178.15 179.37 1iz8 h GLY 283 N -0.42 -0.06 0.44 5.37 0.00 -0.27 -1.54 103.07 106.58 1iz8 h GLY 283 Ca -0.02 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.58 1iz8 h GLY 283 CO 0.03 -0.15 0.17 0.00 0.00 0.00 0.00 176.54 176.59 1iz8 h ALA 284 N 0.90 0.65 -0.48 3.60 0.00 -0.92 -0.89 119.26 122.11 1iz8 h ALA 284 Ca 0.10 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1iz8 h ALA 284 Cb 0.33 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1iz8 h ALA 284 CO -0.26 -0.23 0.30 0.00 0.00 0.00 0.00 179.25 179.05 1iz8 h ALA 285 N 1.37 0.62 -0.27 0.00 0.00 -1.06 -0.99 119.26 118.93 1iz8 h ALA 285 Ca 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1iz8 h ALA 285 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1iz8 h ALA 285 CO -0.29 0.10 0.07 0.82 0.00 0.00 0.00 179.25 179.94 1iz8 h ILE 286 N 0.65 1.21 -1.01 0.00 2.04 -0.85 0.11 117.51 119.67 1iz8 h ILE 286 Ca 0.17 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.36 1iz8 h ILE 286 Cb -0.02 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1iz8 h ILE 286 CO -0.03 0.23 0.66 0.00 0.00 0.00 0.00 178.15 179.01 1iz8 h ALA 287 N 0.89 1.35 -0.40 1.87 0.00 -1.02 0.24 119.26 122.19 1iz8 h ALA 287 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1iz8 h ALA 287 Cb 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1iz8 h ALA 287 CO 0.00 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1iz8 h ALA 288 N 1.42 0.54 -0.29 0.00 0.00 -0.84 -0.87 119.26 119.22 1iz8 h ALA 288 Ca 0.40 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1iz8 h ALA 288 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1iz8 h ALA 288 CO -0.13 0.32 0.05 0.35 0.00 0.00 0.00 179.25 179.84 1iz8 h PHE 289 N 0.54 0.09 -0.52 0.00 3.57 -0.21 -1.86 116.94 118.55 1iz8 h PHE 289 Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1iz8 h PHE 289 Cb 0.47 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1iz8 h PHE 289 CO 0.04 0.02 0.04 0.28 -2.23 0.00 0.00 178.31 176.46 1iz8 h VAL 290 N 0.16 1.26 -0.51 1.41 2.07 -0.86 -2.19 116.25 117.58 1iz8 h VAL 290 Ca 0.13 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1iz8 h VAL 290 Cb 0.14 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1iz8 h VAL 290 CO -0.18 0.36 0.26 0.03 0.02 0.00 0.00 177.57 178.06 1iz8 h ARG 291 N 0.76 0.48 0.00 1.57 3.08 -0.79 0.38 114.38 119.87 1iz8 h ARG 291 Ca 0.15 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1iz8 h ARG 291 Cb 0.46 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1iz8 h ARG 291 CO 0.02 0.32 -0.24 0.00 -1.07 0.00 0.00 179.97 179.00 1iz8 h ARG 292 N 0.50 0.00 0.00 0.04 3.08 -1.20 -2.04 114.38 114.76 1iz8 h ARG 292 Ca 0.23 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.19 1iz8 h ARG 292 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1iz8 h ARG 292 CO -0.16 0.24 -0.43 -0.07 -1.07 0.00 0.00 179.97 178.48 1iz8 h LEU 293 N 0.00 0.00 -6.26 3.04 3.38 -0.46 -3.38 115.31 111.62 1iz8 h LEU 293 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1iz8 h LEU 293 Cb 0.43 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.77 1iz8 h LEU 293 CO 0.03 0.43 -0.78 0.54 0.09 0.00 0.00 178.44 178.75 1iz8 n ARG 294 N -3.23 1.67 -1.80 1.13 1.74 0.12 -5.08 116.66 111.20 1iz8 n ARG 294 Ca 0.02 -4.07 -0.42 0.00 -0.77 0.00 0.00 57.85 52.61 1iz8 n ARG 294 Cb 0.69 -1.89 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 1iz8 n ARG 294 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1iz8 s PRO 295 N -1.73 4.15 0.00 5.56 0.02 -1.15 -4.77 135.00 137.08 1iz8 s PRO 295 Ca 0.36 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1iz8 s PRO 295 Cb 0.12 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.57 1iz8 s PRO 295 CO -0.08 -0.66 0.00 0.00 -0.33 0.00 0.00 177.00 175.94