#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iu8 s LYS 2 N 0.00 2.79 -0.17 2.12 1.02 -1.26 -4.76 119.74 119.48 1iu8 s LYS 2 Ca 0.00 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.23 1iu8 s LYS 2 Cb 0.00 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1iu8 s LYS 2 CO 0.00 0.04 -0.20 0.42 -0.92 0.00 0.00 175.35 174.69 1iu8 s ILE 3 N 0.70 2.10 -0.22 2.17 1.01 0.16 -0.42 121.20 126.70 1iu8 s ILE 3 Ca -0.11 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 1iu8 s ILE 3 Cb -0.16 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1iu8 s ILE 3 CO 0.02 0.54 0.21 -0.22 0.00 0.00 0.00 174.94 175.49 1iu8 s LEU 4 N 1.16 4.16 -0.19 2.97 2.96 0.40 -0.07 118.68 130.07 1iu8 s LEU 4 Ca 0.02 0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1iu8 s LEU 4 Cb -0.14 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.36 1iu8 s LEU 4 CO -0.10 0.07 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.62 1iu8 s LEU 5 N 0.88 2.33 0.17 -0.68 2.96 0.21 -1.04 118.68 123.51 1iu8 s LEU 5 Ca 0.11 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1iu8 s LEU 5 Cb -0.13 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1iu8 s LEU 5 CO 0.04 0.00 -0.03 0.42 -1.32 0.00 0.00 176.35 175.46 1iu8 s THR 6 N 1.31 3.59 0.05 3.68 -4.23 -0.95 -1.74 115.64 117.35 1iu8 s THR 6 Ca 0.05 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1iu8 s THR 6 Cb -0.13 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.91 1iu8 s THR 6 CO -0.10 -0.09 0.04 0.61 -0.54 0.00 0.00 174.62 174.54 1iu8 n GLY 7 N -0.01 3.89 3.11 3.99 0.00 -0.29 -0.39 105.19 115.50 1iu8 n GLY 7 Ca -0.10 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 1iu8 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iu8 s PHE 8 N -2.09 0.78 0.89 1.61 0.40 -1.26 -0.23 117.98 118.07 1iu8 s PHE 8 Ca 0.05 -0.68 -0.13 0.00 -0.60 0.00 0.00 56.93 55.57 1iu8 s PHE 8 Cb 0.00 -0.46 0.13 0.00 0.51 0.00 0.00 43.02 43.20 1iu8 s PHE 8 CO 0.04 -0.11 1.18 -1.83 0.70 0.00 0.00 175.22 175.20 1iu8 s GLU 9 N -2.57 1.30 0.60 0.44 -1.05 -0.86 -4.40 118.70 112.16 1iu8 s GLU 9 Ca -0.00 0.09 -0.19 0.00 -0.15 0.00 0.00 54.97 54.72 1iu8 s GLU 9 Cb -0.03 -1.88 -0.03 0.00 -0.44 0.00 0.00 34.13 31.75 1iu8 s GLU 9 CO -0.02 -2.05 1.21 -2.14 0.95 0.00 0.00 175.26 173.22 1iu8 s PRO 10 N -5.51 2.95 0.29 -4.83 0.02 -1.26 -4.77 135.00 121.88 1iu8 s PRO 10 Ca 0.65 1.85 -0.18 0.00 0.02 0.00 0.00 61.00 63.34 1iu8 s PRO 10 Cb -0.11 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.50 1iu8 s PRO 10 CO 0.52 -1.23 0.66 -0.59 -0.33 0.00 0.00 177.00 176.03 1iu8 s PHE 11 N -1.57 0.03 -1.39 6.54 -0.71 -1.23 -4.86 117.98 114.78 1iu8 s PHE 11 Ca 0.78 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 56.19 1iu8 s PHE 11 Cb -0.31 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.07 1iu8 s PHE 11 CO 0.33 -1.21 0.00 0.41 -1.34 0.00 0.00 175.22 173.41 1iu8 n GLY 12 N -0.45 0.05 0.00 1.99 0.00 -1.26 -2.49 105.19 103.03 1iu8 n GLY 12 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1iu8 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iu8 n GLY 13 N -0.71 2.02 3.75 -0.02 0.00 -1.26 -5.06 105.19 103.91 1iu8 n GLY 13 Ca -0.17 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1iu8 n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iu8 s ASP 14 N 0.19 7.56 0.00 1.61 1.01 -1.04 -4.95 116.67 121.06 1iu8 s ASP 14 Ca 0.00 2.00 0.16 0.00 0.71 0.00 0.00 52.55 55.42 1iu8 s ASP 14 Cb 0.00 -2.61 0.48 0.00 1.01 0.00 0.00 42.92 41.79 1iu8 s ASP 14 CO 0.00 0.08 1.38 -0.90 0.21 0.00 0.00 175.17 175.94 1iu8 n ASP 15 N 1.53 2.30 -3.84 0.27 5.68 -1.26 -3.52 116.55 117.71 1iu8 n ASP 15 Ca -0.01 -1.93 -0.12 0.00 -0.50 0.00 0.00 54.79 52.22 1iu8 n ASP 15 Cb 0.47 -0.25 -0.10 0.00 -1.14 0.00 0.00 41.12 40.10 1iu8 n ASP 15 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1iu8 s LYS 16 N -1.50 0.47 -0.22 0.11 2.36 -1.26 -4.84 119.74 114.85 1iu8 s LYS 16 Ca 0.31 -0.24 -0.02 0.00 -2.55 0.00 0.00 55.97 53.47 1iu8 s LYS 16 Cb 0.16 0.20 0.07 0.00 -1.05 0.00 0.00 37.83 37.21 1iu8 s LYS 16 CO 0.22 -0.11 0.03 1.21 1.55 0.00 0.00 175.35 178.25 1iu8 s ASN 17 N -1.10 3.30 0.55 1.43 3.84 -1.26 -4.75 114.94 116.94 1iu8 s ASN 17 Ca -0.12 -1.04 0.29 0.00 0.21 0.00 0.00 52.86 52.21 1iu8 s ASN 17 Cb -0.06 -0.76 1.60 0.00 -0.55 0.00 0.00 41.25 41.48 1iu8 s ASN 17 CO 0.02 -0.31 1.88 1.55 -2.79 0.00 0.00 177.10 177.45 1iu8 h PRO 18 N 8.16 0.00 0.00 0.43 0.13 -1.93 -1.16 132.00 137.63 1iu8 h PRO 18 Ca -0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 1iu8 h PRO 18 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1iu8 h PRO 18 CO 0.38 0.00 -0.16 1.79 -0.23 0.00 0.00 178.00 179.78 1iu8 h THR 19 N 0.00 0.67 -0.40 1.56 1.35 -1.92 -0.73 112.91 113.43 1iu8 h THR 19 Ca 0.00 -0.66 -0.07 0.00 -0.55 0.00 0.00 66.41 65.13 1iu8 h THR 19 Cb 0.37 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1iu8 h THR 19 CO 0.00 0.15 -0.04 0.24 -0.25 0.00 0.00 175.52 175.63 1iu8 h MET 20 N 0.00 0.74 -0.66 4.72 2.86 -1.41 -0.11 114.93 121.07 1iu8 h MET 20 Ca -0.00 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 1iu8 h MET 20 Cb 0.40 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1iu8 h MET 20 CO 0.02 0.84 0.11 -0.44 1.06 0.00 0.00 176.91 178.50 1iu8 h ASP 21 N 0.56 1.04 -0.06 1.22 5.19 -1.44 -1.69 116.42 121.23 1iu8 h ASP 21 Ca 0.11 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1iu8 h ASP 21 Cb 0.53 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1iu8 h ASP 21 CO 0.03 1.03 0.02 0.40 -3.12 0.00 0.00 179.24 177.60 1iu8 h ILE 22 N 1.01 1.19 -0.54 0.35 2.04 -0.96 -0.91 117.51 119.68 1iu8 h ILE 22 Ca 0.20 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1iu8 h ILE 22 Cb 0.43 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1iu8 h ILE 22 CO 0.01 0.16 0.34 0.58 0.00 0.00 0.00 178.15 179.24 1iu8 h VAL 23 N -0.11 1.08 -0.33 1.67 2.07 -0.95 -1.32 116.25 118.37 1iu8 h VAL 23 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1iu8 h VAL 23 Cb 0.24 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1iu8 h VAL 23 CO 0.00 0.12 0.13 -0.08 0.02 0.00 0.00 177.57 177.76 1iu8 h GLU 24 N 0.67 0.49 -0.09 1.57 4.81 -1.24 -1.55 114.58 119.25 1iu8 h GLU 24 Ca 0.21 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1iu8 h GLU 24 Cb -0.01 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1iu8 h GLU 24 CO -0.08 0.49 0.05 0.00 -0.73 0.00 0.00 179.01 178.74 1iu8 h ALA 25 N 0.98 0.12 -0.01 2.92 0.00 -0.86 -2.61 119.26 119.79 1iu8 h ALA 25 Ca 0.11 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1iu8 h ALA 25 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1iu8 h ALA 25 CO -0.01 -0.37 -0.69 -0.07 0.00 0.00 0.00 179.25 178.12 1iu8 h LEU 26 N 0.08 0.06 -0.90 0.00 3.38 -1.24 -2.58 115.31 114.10 1iu8 h LEU 26 Ca 0.03 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1iu8 h LEU 26 Cb 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1iu8 h LEU 26 CO -0.01 0.72 -0.43 0.77 0.09 0.00 0.00 178.44 179.59 1iu8 h SER 27 N 0.03 0.27 0.83 -0.43 4.64 -1.24 0.16 113.55 117.80 1iu8 h SER 27 Ca -0.01 -0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 61.04 1iu8 h SER 27 Cb 1.22 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1iu8 h SER 27 CO 0.09 0.67 -0.73 -0.33 -0.87 0.00 0.00 176.83 175.66 1iu8 h GLU 28 N 0.21 0.00 0.00 4.77 5.08 -1.37 -3.32 114.58 119.95 1iu8 h GLU 28 Ca 0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.09 1iu8 h GLU 28 Cb 0.85 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 1iu8 h GLU 28 CO 0.07 0.73 -1.66 0.00 -1.00 0.00 0.00 179.01 177.15 1iu8 h ARG 29 N 0.00 0.00 -4.79 2.33 3.08 -1.17 -3.44 114.38 110.38 1iu8 h ARG 29 Ca -0.01 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.37 1iu8 h ARG 29 Cb 1.34 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 31.01 1iu8 h ARG 29 CO 0.09 0.52 -0.76 0.42 -1.07 0.00 0.00 179.97 179.18 1iu8 s ILE 30 N -2.61 2.33 0.33 2.04 1.01 0.53 -5.01 121.20 119.82 1iu8 s ILE 30 Ca -0.04 -1.84 0.09 0.00 0.00 0.00 0.00 60.65 58.86 1iu8 s ILE 30 Cb 0.08 -2.48 0.32 0.00 0.01 0.00 0.00 42.46 40.39 1iu8 s ILE 30 CO 0.82 -0.23 1.79 -0.65 0.00 0.00 0.00 174.94 176.67 1iu8 h PRO 31 N 7.76 0.65 0.00 2.79 0.11 -1.85 -1.04 132.00 140.42 1iu8 h PRO 31 Ca -0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1iu8 h PRO 31 Cb 1.04 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1iu8 h PRO 31 CO 0.49 0.43 0.00 -0.85 -0.21 0.00 0.00 178.00 177.86 1iu8 n GLU 32 N -4.72 0.54 -3.48 1.05 0.00 -1.26 -4.74 120.64 108.03 1iu8 n GLU 32 Ca 0.23 0.03 -0.37 0.00 0.00 0.00 0.00 57.16 57.05 1iu8 n GLU 32 Cb 0.63 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.49 1iu8 n GLU 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1iu8 s VAL 33 N -2.32 5.26 -0.15 3.84 1.01 -0.39 -0.67 120.40 126.98 1iu8 s VAL 33 Ca 0.30 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.81 1iu8 s VAL 33 Cb 0.17 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1iu8 s VAL 33 CO 0.33 0.31 -0.05 -0.69 0.00 0.00 0.00 175.10 175.00 1iu8 s VAL 34 N 1.02 3.73 0.03 2.92 1.01 0.90 -4.72 120.40 125.29 1iu8 s VAL 34 Ca 0.16 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1iu8 s VAL 34 Cb -0.14 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1iu8 s VAL 34 CO 0.06 0.49 -0.02 -0.83 0.00 0.00 0.00 175.10 174.81 1iu8 s GLY 35 N 0.42 1.87 -0.13 4.51 0.00 -1.26 -0.62 107.32 112.11 1iu8 s GLY 35 Ca -0.05 -1.03 -0.07 0.00 0.00 0.00 0.00 44.72 43.57 1iu8 s GLY 35 CO 0.03 -0.94 0.31 1.85 0.00 0.00 0.00 173.10 174.35 1iu8 s GLU 36 N -1.81 0.27 -0.25 2.90 2.56 -0.71 -4.96 118.70 116.70 1iu8 s GLU 36 Ca 0.21 0.65 -0.09 0.00 0.00 0.00 0.00 54.97 55.74 1iu8 s GLU 36 Cb -0.11 -0.07 -0.04 0.00 2.00 0.00 0.00 34.13 35.90 1iu8 s GLU 36 CO 0.13 -0.17 0.13 0.42 -0.56 0.00 0.00 175.26 175.21 1iu8 s ILE 37 N 1.43 5.03 0.20 -3.70 -1.09 -1.26 -1.14 121.20 120.67 1iu8 s ILE 37 Ca -0.08 0.07 -0.09 0.00 -2.23 0.00 0.00 60.65 58.32 1iu8 s ILE 37 Cb -0.10 -3.35 -0.07 0.00 -1.58 0.00 0.00 42.46 37.36 1iu8 s ILE 37 CO -0.10 0.33 0.50 -0.76 -1.23 0.00 0.00 174.94 173.68 1iu8 s LEU 38 N 1.30 4.20 0.47 2.97 1.43 0.68 -4.91 118.68 124.82 1iu8 s LEU 38 Ca 0.06 0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 53.83 1iu8 s LEU 38 Cb -0.14 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 1iu8 s LEU 38 CO 0.06 -0.03 0.96 -2.16 0.23 0.00 0.00 176.35 175.40 1iu8 s PRO 39 N -2.72 4.08 -1.28 1.29 0.04 -1.26 -2.02 135.00 133.13 1iu8 s PRO 39 Ca 0.45 1.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 1iu8 s PRO 39 Cb -0.12 -2.17 0.13 0.00 0.04 0.00 0.00 34.50 32.38 1iu8 s PRO 39 CO 0.22 -0.14 1.69 0.28 0.04 0.00 0.00 177.00 179.09 1iu8 n VAL 40 N -1.10 4.10 -3.67 -0.36 0.31 -1.26 -4.41 118.33 111.94 1iu8 n VAL 40 Ca 0.07 -4.31 -0.08 0.00 -0.01 0.00 0.00 64.34 60.00 1iu8 n VAL 40 Cb 0.54 -2.43 -0.09 0.00 -0.91 0.00 0.00 33.84 30.95 1iu8 n VAL 40 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1iu8 s SER 41 N 2.85 -0.46 0.16 4.52 0.15 -1.26 -0.25 113.70 119.41 1iu8 s SER 41 Ca 0.46 1.05 -0.15 0.00 0.70 0.00 0.00 55.95 58.00 1iu8 s SER 41 Cb 0.03 1.26 0.06 0.00 -1.71 0.00 0.00 66.02 65.66 1iu8 s SER 41 CO 0.01 -0.22 1.79 -0.26 1.20 0.00 0.00 173.24 175.76 1iu8 h PHE 42 N 7.76 0.40 0.25 3.44 -1.00 -1.93 0.27 116.94 126.13 1iu8 h PHE 42 Ca -0.23 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.55 1iu8 h PHE 42 Cb 1.14 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1iu8 h PHE 42 CO 0.25 0.22 -0.12 0.87 -1.61 0.00 0.00 178.31 177.91 1iu8 h LYS 43 N 0.44 -0.33 0.00 1.51 6.56 -1.97 -2.56 116.57 120.22 1iu8 h LYS 43 Ca 0.17 0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.70 1iu8 h LYS 43 Cb 0.06 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 1iu8 h LYS 43 CO -0.11 -0.04 -0.39 0.00 -2.06 0.00 0.00 179.45 176.86 1iu8 h ARG 44 N -0.61 0.00 -0.13 3.15 3.08 -1.92 -2.90 114.38 115.05 1iu8 h ARG 44 Ca -0.03 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.80 1iu8 h ARG 44 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 1iu8 h ARG 44 CO 0.06 0.39 -0.78 0.00 -1.07 0.00 0.00 179.97 178.57 1iu8 h ALA 45 N 1.61 0.38 -0.15 0.04 0.00 -0.49 -1.15 119.26 119.50 1iu8 h ALA 45 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1iu8 h ALA 45 Cb 1.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1iu8 h ALA 45 CO 0.05 0.71 0.09 -0.09 0.00 0.00 0.00 179.25 180.01 1iu8 h ARG 46 N 0.47 0.20 0.16 0.00 2.43 -1.41 0.12 114.38 116.35 1iu8 h ARG 46 Ca -0.05 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1iu8 h ARG 46 Cb 1.39 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1iu8 h ARG 46 CO 0.15 0.19 -0.11 0.93 -1.51 0.00 0.00 179.97 179.63 1iu8 h GLU 47 N 0.16 -0.25 -0.24 0.20 5.08 -1.48 -1.89 114.58 116.16 1iu8 h GLU 47 Ca 0.05 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1iu8 h GLU 47 Cb 0.04 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1iu8 h GLU 47 CO -0.01 -0.17 0.09 -0.22 -1.00 0.00 0.00 179.01 177.70 1iu8 h LYS 48 N -0.26 0.35 -0.09 2.33 3.64 -1.09 -1.94 116.57 119.51 1iu8 h LYS 48 Ca -0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1iu8 h LYS 48 Cb 0.23 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1iu8 h LYS 48 CO 0.01 0.40 0.06 1.25 -2.27 0.00 0.00 179.45 178.90 1iu8 h LEU 49 N 0.23 0.11 -1.13 5.20 5.85 -0.72 -0.81 115.31 124.03 1iu8 h LEU 49 Ca 0.08 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1iu8 h LEU 49 Cb 0.18 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1iu8 h LEU 49 CO -0.01 0.08 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.03 1iu8 h LEU 50 N 0.12 0.50 -0.12 2.25 3.38 -1.35 -1.54 115.31 118.55 1iu8 h LEU 50 Ca 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1iu8 h LEU 50 Cb -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1iu8 h LEU 50 CO -0.01 0.62 -0.01 0.50 0.09 0.00 0.00 178.44 179.64 1iu8 h LYS 51 N 0.49 0.21 -0.65 1.13 3.64 -1.01 -2.01 116.57 118.36 1iu8 h LYS 51 Ca 0.10 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1iu8 h LYS 51 Cb 0.43 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1iu8 h LYS 51 CO 0.02 0.47 0.19 0.28 -2.27 0.00 0.00 179.45 178.15 1iu8 h VAL 52 N -0.07 1.24 -0.72 2.00 2.07 -1.00 0.11 116.25 119.89 1iu8 h VAL 52 Ca 0.03 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1iu8 h VAL 52 Cb 0.38 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1iu8 h VAL 52 CO 0.01 0.33 0.39 -0.07 0.02 0.00 0.00 177.57 178.25 1iu8 h LEU 53 N 0.97 0.90 -0.36 2.57 3.38 -1.23 0.18 115.31 121.73 1iu8 h LEU 53 Ca 0.21 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1iu8 h LEU 53 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1iu8 h LEU 53 CO -0.01 0.74 -0.22 -0.78 0.09 0.00 0.00 178.44 178.27 1iu8 h ASP 54 N 0.99 0.81 -0.09 -0.43 3.58 -0.89 0.10 116.42 120.49 1iu8 h ASP 54 Ca 0.25 -0.42 -0.17 0.00 0.42 0.00 0.00 57.03 57.11 1iu8 h ASP 54 Cb 0.04 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 1iu8 h ASP 54 CO -0.04 1.06 -0.53 0.44 -2.88 0.00 0.00 179.24 177.29 1iu8 h ASP 55 N 0.56 0.74 0.35 2.28 3.32 -0.52 -3.34 116.42 119.82 1iu8 h ASP 55 Ca 0.07 -0.39 -0.32 0.00 0.02 0.00 0.00 57.03 56.41 1iu8 h ASP 55 Cb 0.77 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1iu8 h ASP 55 CO 0.06 1.13 -1.75 0.58 -1.72 0.00 0.00 179.24 177.54 1iu8 h VAL 56 N 0.52 0.86 -6.15 -1.35 2.07 -0.67 -3.49 116.25 108.05 1iu8 h VAL 56 Ca 0.02 -2.61 -0.43 0.00 0.82 0.00 0.00 66.70 64.50 1iu8 h VAL 56 Cb 1.09 2.55 0.04 0.00 -1.52 0.00 0.00 31.29 33.45 1iu8 h VAL 56 CO 0.11 0.74 -0.84 0.54 0.02 0.00 0.00 177.57 178.14 1iu8 n ARG 57 N -3.32 -4.71 -1.29 1.57 5.12 0.35 -4.91 116.66 109.46 1iu8 n ARG 57 Ca -0.22 0.59 -0.34 0.00 -1.93 0.00 0.00 57.85 55.95 1iu8 n ARG 57 Cb 1.05 -5.10 0.11 0.00 -1.16 0.00 0.00 32.46 27.35 1iu8 n ARG 57 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1iu8 s PRO 58 N -6.07 1.93 -0.02 5.56 0.04 -1.26 -4.92 135.00 130.26 1iu8 s PRO 58 Ca 0.02 1.73 0.13 0.00 0.04 0.00 0.00 61.00 62.92 1iu8 s PRO 58 Cb -0.01 -1.81 -0.22 0.00 0.04 0.00 0.00 34.50 32.50 1iu8 s PRO 58 CO 0.82 -1.99 0.72 -0.44 0.04 0.00 0.00 177.00 176.15 1iu8 h ASP 59 N -0.58 0.00 -3.78 6.66 3.32 -1.09 -3.33 116.42 117.61 1iu8 h ASP 59 Ca -0.47 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.25 1iu8 h ASP 59 Cb 1.29 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.54 1iu8 h ASP 59 CO 0.48 0.97 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.59 1iu8 s ILE 60 N -2.63 0.35 -0.06 0.35 1.01 -1.05 -0.26 121.20 118.91 1iu8 s ILE 60 Ca -0.04 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1iu8 s ILE 60 Cb 0.08 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.24 1iu8 s ILE 60 CO 0.82 0.12 -0.11 -0.89 0.00 0.00 0.00 174.94 174.89 1iu8 s THR 61 N 0.17 1.02 -0.24 2.92 2.01 -0.98 -0.45 115.64 120.09 1iu8 s THR 61 Ca -0.01 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1iu8 s THR 61 Cb -0.05 -0.95 0.06 0.00 0.01 0.00 0.00 72.50 71.57 1iu8 s THR 61 CO -0.00 0.33 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.55 1iu8 s ILE 62 N 0.76 1.70 0.03 1.82 1.01 -0.21 -2.15 121.20 124.17 1iu8 s ILE 62 Ca -0.13 -1.29 -0.23 0.00 0.00 0.00 0.00 60.65 58.99 1iu8 s ILE 62 Cb -0.15 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1iu8 s ILE 62 CO 0.02 -0.04 0.70 0.20 0.00 0.00 0.00 174.94 175.82 1iu8 s ASN 63 N 1.32 7.12 0.16 3.58 -0.87 -0.15 -2.24 114.94 123.87 1iu8 s ASN 63 Ca -0.06 1.34 0.08 0.00 -1.57 0.00 0.00 52.86 52.65 1iu8 s ASN 63 Cb -0.19 -2.43 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 1iu8 s ASN 63 CO -0.06 0.05 -0.06 -0.76 -2.57 0.00 0.00 177.10 173.70 1iu8 s LEU 64 N -0.11 3.14 0.09 0.60 1.43 0.48 -0.84 118.68 123.47 1iu8 s LEU 64 Ca 0.36 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.81 1iu8 s LEU 64 Cb -0.20 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.23 1iu8 s LEU 64 CO 0.21 0.12 0.49 -0.83 0.23 0.00 0.00 176.35 176.57 1iu8 s GLY 65 N -2.71 -0.41 -0.08 -3.19 0.00 -0.73 -4.32 107.32 95.88 1iu8 s GLY 65 Ca 0.25 0.37 -0.16 0.00 0.00 0.00 0.00 44.72 45.18 1iu8 s GLY 65 CO 0.16 0.08 0.41 -2.27 0.00 0.00 0.00 173.10 171.48 1iu8 s LEU 66 N -2.37 4.34 -0.58 0.66 2.96 -1.26 -0.80 118.68 121.63 1iu8 s LEU 66 Ca -0.02 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.73 1iu8 s LEU 66 Cb 0.00 -2.58 0.14 0.00 0.50 0.00 0.00 46.19 44.25 1iu8 s LEU 66 CO -0.07 0.14 0.34 0.00 -1.32 0.00 0.00 176.35 175.44 1iu8 s ALA 67 N -0.05 3.47 -0.04 5.97 0.00 -0.09 -4.85 121.76 126.17 1iu8 s ALA 67 Ca 0.23 -3.43 -0.36 0.00 0.00 0.00 0.00 51.96 48.41 1iu8 s ALA 67 Cb -0.15 -2.20 -0.14 0.00 0.00 0.00 0.00 23.12 20.63 1iu8 s ALA 67 CO 0.10 -2.05 1.71 -2.30 0.00 0.00 0.00 175.76 173.22 1iu8 n PRO 68 N 2.83 1.85 0.00 0.00 -0.02 -1.26 -1.97 135.00 136.43 1iu8 n PRO 68 Ca 0.09 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1iu8 n PRO 68 Cb 0.33 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1iu8 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iu8 n GLY 69 N 3.87 3.47 3.78 -1.23 0.00 -1.26 -5.04 105.19 108.79 1iu8 n GLY 69 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1iu8 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iu8 s ARG 70 N -0.97 3.86 -0.09 1.61 0.52 -0.83 -4.63 118.95 118.42 1iu8 s ARG 70 Ca 0.00 1.51 0.15 0.00 -0.52 0.00 0.00 55.73 56.87 1iu8 s ARG 70 Cb 0.00 -2.28 -0.23 0.00 0.52 0.00 0.00 34.95 32.95 1iu8 s ARG 70 CO 0.00 -0.40 0.48 0.25 0.02 0.00 0.00 175.30 175.64 1iu8 n THR 71 N -0.63 1.51 -4.44 0.02 -2.24 -1.26 -4.54 114.28 102.71 1iu8 n THR 71 Ca 0.08 -0.81 -0.25 0.00 -2.27 0.00 0.00 64.05 60.80 1iu8 n THR 71 Cb 0.51 -0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 67.81 1iu8 n THR 71 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1iu8 s HIS 72 N -2.58 2.47 0.20 4.78 3.76 -1.26 -4.88 115.29 117.78 1iu8 s HIS 72 Ca -0.06 -0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 54.09 1iu8 s HIS 72 Cb 0.07 -1.42 -0.08 0.00 1.11 0.00 0.00 32.58 32.26 1iu8 s HIS 72 CO 0.83 0.54 1.18 0.42 -0.85 0.00 0.00 174.74 176.85 1iu8 s ILE 73 N -2.56 3.55 -0.22 0.60 1.01 -0.27 -4.46 121.20 118.85 1iu8 s ILE 73 Ca 0.33 1.35 -0.05 0.00 0.00 0.00 0.00 60.65 62.28 1iu8 s ILE 73 Cb 0.01 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1iu8 s ILE 73 CO 0.18 0.23 -0.01 -0.44 0.00 0.00 0.00 174.94 174.91 1iu8 s SER 74 N -0.04 4.62 -0.46 3.58 0.01 0.08 -1.18 113.70 120.31 1iu8 s SER 74 Ca 0.51 -0.30 -0.15 0.00 1.31 0.00 0.00 55.95 57.32 1iu8 s SER 74 Cb -0.33 -1.80 0.06 0.00 0.21 0.00 0.00 66.02 64.17 1iu8 s SER 74 CO 0.38 -0.00 0.38 -0.69 0.41 0.00 0.00 173.24 173.71 1iu8 s VAL 75 N 1.40 5.23 0.29 3.43 1.01 -0.25 -0.75 120.40 130.76 1iu8 s VAL 75 Ca 0.05 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1iu8 s VAL 75 Cb -0.15 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1iu8 s VAL 75 CO -0.00 -0.53 1.20 -1.61 0.00 0.00 0.00 175.10 174.16 1iu8 s GLU 76 N 1.65 4.50 -0.01 2.72 0.41 -0.38 -1.68 118.70 125.90 1iu8 s GLU 76 Ca 0.04 2.00 0.09 0.00 -0.41 0.00 0.00 54.97 56.69 1iu8 s GLU 76 Cb -0.23 -3.14 -0.14 0.00 -1.78 0.00 0.00 34.13 28.84 1iu8 s GLU 76 CO 0.07 0.01 0.21 0.54 -0.49 0.00 0.00 175.26 175.60 1iu8 n ARG 77 N 1.15 0.52 -4.43 1.61 1.74 -0.16 -4.43 116.66 112.67 1iu8 n ARG 77 Ca -0.00 -0.08 -0.25 0.00 -0.77 0.00 0.00 57.85 56.75 1iu8 n ARG 77 Cb 0.43 -1.20 -0.17 0.00 -1.02 0.00 0.00 32.46 30.51 1iu8 n ARG 77 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1iu8 s VAL 78 N -2.58 1.12 -0.17 1.55 1.01 -1.26 -0.95 120.40 119.12 1iu8 s VAL 78 Ca -0.03 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1iu8 s VAL 78 Cb 0.06 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1iu8 s VAL 78 CO 0.38 0.36 -0.07 0.00 0.00 0.00 0.00 175.10 175.76 1iu8 s ALA 79 N 0.90 2.80 0.01 5.51 0.00 -0.40 -4.08 121.76 126.50 1iu8 s ALA 79 Ca -0.10 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1iu8 s ALA 79 Cb -0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1iu8 s ALA 79 CO 0.01 0.03 0.04 0.14 0.00 0.00 0.00 175.76 175.98 1iu8 s VAL 80 N 0.70 4.42 -1.48 0.00 -7.23 -1.26 -1.12 120.40 114.42 1iu8 s VAL 80 Ca -0.04 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 1iu8 s VAL 80 Cb -0.15 -3.02 0.02 0.00 0.56 0.00 0.00 36.38 33.79 1iu8 s VAL 80 CO 0.02 0.32 2.40 -3.20 -0.31 0.00 0.00 175.10 174.33 1iu8 n ASN 81 N 1.14 5.53 -3.69 4.85 5.15 0.24 -4.84 115.26 123.63 1iu8 n ASN 81 Ca -0.13 -2.81 -0.13 0.00 -0.60 0.00 0.00 54.58 50.92 1iu8 n ASN 81 Cb 0.52 -1.60 -0.09 0.00 -0.53 0.00 0.00 39.78 38.09 1iu8 n ASN 81 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1iu8 s MET 82 N 2.43 0.61 -0.23 1.20 1.75 -1.26 -4.14 119.30 119.66 1iu8 s MET 82 Ca 0.53 0.78 -0.01 0.00 -1.25 0.00 0.00 55.69 55.74 1iu8 s MET 82 Cb 0.15 0.26 0.03 0.00 2.84 0.00 0.00 34.83 38.11 1iu8 s MET 82 CO -0.07 -0.09 -0.09 0.42 -0.65 0.00 0.00 175.02 174.54 1iu8 s ILE 83 N 0.48 2.70 -0.39 10.11 1.01 0.04 -4.79 121.20 130.36 1iu8 s ILE 83 Ca -0.02 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.64 1iu8 s ILE 83 Cb -0.04 -2.34 0.16 0.00 0.01 0.00 0.00 42.46 40.25 1iu8 s ILE 83 CO -0.02 0.26 0.33 -0.62 0.00 0.00 0.00 174.94 174.88 1iu8 s ASP 84 N 1.31 1.71 -0.35 3.58 3.68 -0.60 -0.92 116.67 125.07 1iu8 s ASP 84 Ca 0.01 -2.52 -0.29 0.00 2.13 0.00 0.00 52.55 51.88 1iu8 s ASP 84 Cb -0.16 -0.16 0.01 0.00 -1.45 0.00 0.00 42.92 41.16 1iu8 s ASP 84 CO -0.06 -0.22 1.29 0.00 0.13 0.00 0.00 175.17 176.31 1iu8 s ALA 85 N 0.61 3.27 -1.17 3.66 0.00 -0.58 -4.49 121.76 123.06 1iu8 s ALA 85 Ca 0.26 -0.05 0.28 0.00 0.00 0.00 0.00 51.96 52.45 1iu8 s ALA 85 Cb -0.08 -3.82 1.29 0.00 0.00 0.00 0.00 23.12 20.51 1iu8 s ALA 85 CO -0.10 -1.96 1.93 0.54 0.00 0.00 0.00 175.76 176.16 1iu8 n ARG 86 N 7.53 0.17 -3.70 0.00 1.74 -1.26 -4.75 116.66 116.39 1iu8 n ARG 86 Ca 0.15 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 57.11 1iu8 n ARG 86 Cb 0.47 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 1iu8 n ARG 86 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1iu8 s ILE 87 N -2.83 0.05 0.83 0.55 -4.36 -1.26 -5.17 121.20 109.02 1iu8 s ILE 87 Ca 0.19 -0.44 -0.11 0.00 -0.26 0.00 0.00 60.65 60.03 1iu8 s ILE 87 Cb 0.19 -0.83 0.09 0.00 1.25 0.00 0.00 42.46 43.16 1iu8 s ILE 87 CO 0.48 -0.24 1.10 -2.84 0.24 0.00 0.00 174.94 173.67 1iu8 s PRO 88 N -1.91 1.77 0.64 0.37 0.02 -1.26 -4.84 135.00 129.79 1iu8 s PRO 88 Ca -0.09 1.13 -0.07 0.00 0.02 0.00 0.00 61.00 61.99 1iu8 s PRO 88 Cb -0.02 -1.84 0.14 0.00 0.02 0.00 0.00 34.50 32.79 1iu8 s PRO 88 CO 0.01 -1.97 0.87 -0.40 -0.33 0.00 0.00 177.00 175.18 1iu8 n ASP 89 N -3.74 0.44 0.00 2.53 3.85 0.11 -4.88 116.55 114.85 1iu8 n ASP 89 Ca 0.09 -1.54 0.06 0.00 -0.71 0.00 0.00 54.79 52.68 1iu8 n ASP 89 Cb 0.53 -0.63 0.27 0.00 -1.35 0.00 0.00 41.12 39.95 1iu8 n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1iu8 n ASN 90 N -3.35 0.00 -0.99 -1.12 3.02 0.65 -1.52 115.26 111.95 1iu8 n ASN 90 Ca 0.12 0.23 0.11 0.00 -0.03 0.00 0.00 54.58 55.01 1iu8 n ASN 90 Cb 0.42 -0.35 0.16 0.00 -0.61 0.00 0.00 39.78 39.41 1iu8 n ASN 90 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iu8 n ASP 91 N -1.35 3.13 0.00 6.41 8.00 -1.26 -4.95 116.55 126.54 1iu8 n ASP 91 Ca 0.05 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1iu8 n ASP 91 Cb 0.10 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1iu8 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iu8 n GLY 92 N 1.31 0.69 3.76 0.44 0.00 -0.58 -5.03 105.19 105.78 1iu8 n GLY 92 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1iu8 n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iu8 s GLU 93 N -0.17 4.26 -0.44 1.61 0.41 -1.26 -4.77 118.70 118.34 1iu8 s GLU 93 Ca 0.00 0.60 0.08 0.00 -0.41 0.00 0.00 54.97 55.24 1iu8 s GLU 93 Cb 0.00 -3.35 0.25 0.00 -1.78 0.00 0.00 34.13 29.26 1iu8 s GLU 93 CO 0.00 0.36 0.57 0.94 -0.49 0.00 0.00 175.26 176.65 1iu8 n GLN 94 N 2.84 1.09 -2.24 1.61 7.27 -1.26 -0.72 117.38 125.97 1iu8 n GLN 94 Ca -0.08 -3.52 -0.36 0.00 0.07 0.00 0.00 57.00 53.11 1iu8 n GLN 94 Cb 0.51 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.73 1iu8 n GLN 94 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1iu8 s PRO 95 N -1.49 3.48 -0.01 3.69 0.04 -1.26 -4.79 135.00 134.66 1iu8 s PRO 95 Ca 0.36 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 1iu8 s PRO 95 Cb 0.17 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1iu8 s PRO 95 CO -0.09 -0.77 0.03 0.15 0.04 0.00 0.00 177.00 176.37 1iu8 s LYS 96 N -3.07 0.06 -1.38 4.56 1.02 -1.25 -1.52 119.74 118.15 1iu8 s LYS 96 Ca 0.70 0.01 -0.07 0.00 0.02 0.00 0.00 55.97 56.63 1iu8 s LYS 96 Cb -0.26 0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.11 1iu8 s LYS 96 CO 0.30 -0.01 0.97 -0.25 -0.92 0.00 0.00 175.35 175.44 1iu8 n ASP 97 N 2.97 -3.86 -4.27 2.83 8.00 -0.10 -4.96 116.55 117.16 1iu8 n ASP 97 Ca -0.13 -0.71 -0.30 0.00 0.71 0.00 0.00 54.79 54.36 1iu8 n ASP 97 Cb 0.59 -4.40 -0.16 0.00 -0.02 0.00 0.00 41.12 37.13 1iu8 n ASP 97 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1iu8 s GLU 98 N -6.19 2.20 0.65 -1.24 0.41 -1.16 -4.97 118.70 108.40 1iu8 s GLU 98 Ca 0.38 -0.88 -0.14 0.00 -0.41 0.00 0.00 54.97 53.92 1iu8 s GLU 98 Cb -0.18 -2.01 -0.01 0.00 -1.78 0.00 0.00 34.13 30.15 1iu8 s GLU 98 CO 0.79 0.46 1.07 -1.25 -0.49 0.00 0.00 175.26 175.83 1iu8 s PRO 99 N -0.39 3.05 -0.04 0.39 0.04 -1.26 -0.78 135.00 136.01 1iu8 s PRO 99 Ca 0.04 1.15 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 1iu8 s PRO 99 Cb -0.11 -2.00 -0.31 0.00 0.04 0.00 0.00 34.50 32.11 1iu8 s PRO 99 CO 0.01 -1.02 0.79 0.82 0.04 0.00 0.00 177.00 177.63 1iu8 h ILE 100 N -0.09 1.19 -3.29 0.56 2.04 -1.89 -3.44 117.51 112.59 1iu8 h ILE 100 Ca -0.46 -2.54 -0.52 0.00 1.00 0.00 0.00 64.86 62.35 1iu8 h ILE 100 Cb 1.22 2.94 -0.38 0.00 -0.74 0.00 0.00 36.82 39.85 1iu8 h ILE 100 CO 0.56 0.77 -0.78 -0.69 0.00 0.00 0.00 178.15 178.02 1iu8 s VAL 101 N -2.52 0.78 0.07 1.67 1.01 -1.26 -5.09 120.40 115.05 1iu8 s VAL 101 Ca -0.14 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 1iu8 s VAL 101 Cb 0.04 -1.03 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 1iu8 s VAL 101 CO 0.85 0.08 1.89 -0.62 0.00 0.00 0.00 175.10 177.30 1iu8 n GLU 102 N 4.99 2.73 -0.67 2.72 -0.58 -1.26 -1.04 120.64 127.52 1iu8 n GLU 102 Ca -0.10 1.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.64 1iu8 n GLU 102 Cb 0.48 -2.90 0.00 0.00 -0.57 0.00 0.00 31.44 28.45 1iu8 n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iu8 n GLY 103 N 4.35 1.11 3.82 0.62 0.00 -1.26 -5.04 105.19 108.80 1iu8 n GLY 103 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1iu8 n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iu8 s GLY 104 N -1.82 1.64 0.62 -0.02 0.00 -0.21 -5.00 107.32 102.53 1iu8 s GLY 104 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 44.72 44.42 1iu8 s GLY 104 CO 0.00 0.26 1.27 2.56 0.00 0.00 0.00 173.10 177.18 1iu8 s PRO 105 N -5.14 2.77 0.45 2.90 0.04 -1.26 -4.87 135.00 129.89 1iu8 s PRO 105 Ca 0.59 1.99 0.18 0.00 0.04 0.00 0.00 61.00 63.81 1iu8 s PRO 105 Cb -0.14 -1.92 1.15 0.00 0.04 0.00 0.00 34.50 33.63 1iu8 s PRO 105 CO 0.54 -1.41 1.94 0.00 0.04 0.00 0.00 177.00 178.11 1iu8 h ALA 106 N 0.77 2.22 -2.77 8.56 0.00 -1.94 -3.39 119.26 122.71 1iu8 h ALA 106 Ca -0.51 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1iu8 h ALA 106 Cb 1.32 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 1iu8 h ALA 106 CO 0.54 -0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.32 1iu8 s ALA 107 N -5.30 -0.94 -0.05 0.00 0.00 -1.26 -0.59 121.76 113.62 1iu8 s ALA 107 Ca -0.07 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1iu8 s ALA 107 Cb 0.21 0.71 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1iu8 s ALA 107 CO 0.76 -0.66 -0.14 0.71 0.00 0.00 0.00 175.76 176.43 1iu8 s TYR 108 N -3.81 1.51 0.25 0.00 1.51 -0.28 -4.98 117.35 111.56 1iu8 s TYR 108 Ca 0.03 -0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 55.41 1iu8 s TYR 108 Cb 0.02 -1.07 -0.08 0.00 -0.11 0.00 0.00 41.96 40.71 1iu8 s TYR 108 CO -0.11 -0.22 0.73 -0.06 -1.11 0.00 0.00 175.55 174.78 1iu8 s PHE 109 N 0.37 3.58 0.45 2.71 2.99 -1.26 -1.28 117.98 125.55 1iu8 s PHE 109 Ca -0.10 1.35 -0.24 0.00 0.00 0.00 0.00 56.93 57.94 1iu8 s PHE 109 Cb -0.13 -2.60 -0.08 0.00 0.00 0.00 0.00 43.02 40.21 1iu8 s PHE 109 CO 0.03 0.27 1.30 0.00 -0.00 0.00 0.00 175.22 176.82 1iu8 s ALA 110 N -1.64 3.11 -1.35 5.36 0.00 -0.12 -4.94 121.76 122.17 1iu8 s ALA 110 Ca 0.46 1.21 0.16 0.00 0.00 0.00 0.00 51.96 53.79 1iu8 s ALA 110 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1iu8 s ALA 110 CO 0.20 -0.94 0.82 0.25 0.00 0.00 0.00 175.76 176.09 1iu8 n THR 111 N -0.27 0.00 -1.68 0.00 -2.24 -0.13 -4.91 114.28 105.05 1iu8 n THR 111 Ca 0.06 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 1iu8 n THR 111 Cb 0.45 1.16 0.05 0.00 -2.10 0.00 0.00 70.33 69.89 1iu8 n THR 111 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1iu8 s ILE 112 N -1.93 3.99 -1.10 2.28 -4.36 -0.96 -4.65 121.20 114.47 1iu8 s ILE 112 Ca 0.12 0.64 -0.21 0.00 -0.26 0.00 0.00 60.65 60.95 1iu8 s ILE 112 Cb 0.12 -3.48 -0.07 0.00 1.25 0.00 0.00 42.46 40.28 1iu8 s ILE 112 CO 0.42 -0.84 1.93 -0.81 0.24 0.00 0.00 174.94 175.87 1iu8 n PRO 113 N -3.07 1.94 -0.10 0.37 -0.04 -1.26 -4.82 135.00 128.01 1iu8 n PRO 113 Ca 0.07 -2.42 -0.06 0.00 -0.04 0.00 0.00 63.50 61.06 1iu8 n PRO 113 Cb 0.54 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 1iu8 n PRO 113 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1iu8 h THR 114 N 5.34 0.67 -0.48 0.52 1.35 -1.91 -0.76 112.91 117.64 1iu8 h THR 114 Ca 0.35 -0.01 -0.09 0.00 -0.55 0.00 0.00 66.41 66.11 1iu8 h THR 114 Cb 0.82 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1iu8 h THR 114 CO 1.55 0.00 -0.07 -0.09 -0.25 0.00 0.00 175.52 176.67 1iu8 h ARG 115 N 0.02 0.90 -0.88 4.72 2.43 -1.96 -1.43 114.38 118.17 1iu8 h ARG 115 Ca 0.17 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1iu8 h ARG 115 Cb 0.25 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1iu8 h ARG 115 CO -0.34 0.97 0.56 0.93 -1.51 0.00 0.00 179.97 180.57 1iu8 h GLU 116 N 0.75 1.18 -0.23 0.20 3.07 -1.90 -0.29 114.58 117.34 1iu8 h GLU 116 Ca 0.13 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1iu8 h GLU 116 Cb 0.61 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1iu8 h GLU 116 CO 0.04 0.80 0.00 0.82 -1.40 0.00 0.00 179.01 179.27 1iu8 h ILE 117 N 1.20 1.25 -0.48 3.13 2.04 -0.91 -1.21 117.51 122.54 1iu8 h ILE 117 Ca 0.32 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1iu8 h ILE 117 Cb -0.10 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1iu8 h ILE 117 CO -0.07 0.27 0.30 0.58 0.00 0.00 0.00 178.15 179.24 1iu8 h VAL 118 N 0.18 1.09 -0.26 1.67 2.07 -0.77 -0.99 116.25 119.24 1iu8 h VAL 118 Ca 0.07 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1iu8 h VAL 118 Cb 0.40 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1iu8 h VAL 118 CO 0.01 0.11 -0.21 -0.33 0.02 0.00 0.00 177.57 177.17 1iu8 h GLU 119 N 0.61 0.47 -0.13 1.57 4.39 -0.96 -1.84 114.58 118.70 1iu8 h GLU 119 Ca 0.18 -0.16 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 1iu8 h GLU 119 Cb -0.03 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1iu8 h GLU 119 CO -0.06 0.66 -0.60 1.49 -1.16 0.00 0.00 179.01 179.34 1iu8 h GLU 120 N 0.42 0.42 -0.21 2.33 4.57 -0.90 -0.72 114.58 120.50 1iu8 h GLU 120 Ca 0.07 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1iu8 h GLU 120 Cb 0.60 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1iu8 h GLU 120 CO 0.04 0.89 0.07 0.52 -1.18 0.00 0.00 179.01 179.36 1iu8 h MET 121 N 0.31 0.32 -0.79 1.92 2.86 -0.89 -2.53 114.93 116.13 1iu8 h MET 121 Ca -0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1iu8 h MET 121 Cb 1.13 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 1iu8 h MET 121 CO 0.10 0.40 0.44 0.87 1.06 0.00 0.00 176.91 179.79 1iu8 h LYS 122 N 0.17 1.09 0.00 1.72 1.57 -1.20 -0.51 116.57 119.39 1iu8 h LYS 122 Ca 0.07 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1iu8 h LYS 122 Cb 0.21 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1iu8 h LYS 122 CO -0.00 0.79 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.40 1iu8 h LYS 123 N 1.10 0.00 -0.63 3.15 3.64 -0.88 -1.00 116.57 121.94 1iu8 h LYS 123 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1iu8 h LYS 123 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1iu8 h LYS 123 CO -0.05 0.04 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1iu8 n ASN 124 N -3.96 4.99 -0.37 4.20 3.02 -0.33 -4.93 115.26 117.88 1iu8 n ASN 124 Ca -0.03 -2.67 -0.05 0.00 -0.03 0.00 0.00 54.58 51.80 1iu8 n ASN 124 Cb 0.13 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 1iu8 n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iu8 n GLY 125 N 0.79 0.76 3.44 7.41 0.00 -0.38 -5.03 105.19 112.19 1iu8 n GLY 125 Ca 0.25 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 1iu8 n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iu8 s ILE 126 N -2.18 4.39 -0.06 -0.61 1.01 -0.43 -4.99 121.20 118.33 1iu8 s ILE 126 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 1iu8 s ILE 126 Cb 0.00 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 39.30 1iu8 s ILE 126 CO 0.00 0.27 1.99 -2.84 0.00 0.00 0.00 174.94 174.36 1iu8 s PRO 127 N 1.61 3.83 0.00 2.79 0.02 -1.26 -3.31 135.00 138.69 1iu8 s PRO 127 Ca 0.06 2.35 -0.06 0.00 0.02 0.00 0.00 61.00 63.36 1iu8 s PRO 127 Cb -0.16 -4.20 -0.00 0.00 0.02 0.00 0.00 34.50 30.16 1iu8 s PRO 127 CO 0.04 -1.30 0.11 0.00 -0.33 0.00 0.00 177.00 175.53 1iu8 s ALA 128 N 5.58 -0.26 0.06 -1.55 0.00 -1.26 -1.12 121.76 123.21 1iu8 s ALA 128 Ca 0.90 -0.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 1iu8 s ALA 128 Cb -0.38 0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1iu8 s ALA 128 CO 0.38 -0.20 0.36 0.54 0.00 0.00 0.00 175.76 176.84 1iu8 s VAL 129 N -1.37 0.07 0.35 0.00 0.11 -0.33 -4.90 120.40 114.34 1iu8 s VAL 129 Ca -0.15 -0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 58.07 1iu8 s VAL 129 Cb -0.08 -1.01 -0.10 0.00 -1.53 0.00 0.00 36.38 33.66 1iu8 s VAL 129 CO 0.01 -0.33 0.91 -0.76 -3.33 0.00 0.00 175.10 171.60 1iu8 s LEU 130 N -2.24 4.19 0.02 2.54 1.43 -1.26 -1.09 118.68 122.26 1iu8 s LEU 130 Ca -0.03 1.72 0.05 0.00 -1.03 0.00 0.00 54.13 54.84 1iu8 s LEU 130 Cb 0.00 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.05 1iu8 s LEU 130 CO -0.05 -0.17 -0.14 -0.55 0.23 0.00 0.00 176.35 175.67 1iu8 s SER 131 N -1.85 1.64 0.00 2.29 0.15 -0.68 -4.83 113.70 110.43 1iu8 s SER 131 Ca 0.54 -0.37 0.12 0.00 0.70 0.00 0.00 55.95 56.94 1iu8 s SER 131 Cb -0.15 -0.14 0.25 0.00 -1.71 0.00 0.00 66.02 64.28 1iu8 s SER 131 CO 0.19 0.09 1.14 -1.22 1.20 0.00 0.00 173.24 174.65 1iu8 n TYR 132 N 2.25 0.33 -3.69 3.44 4.02 -1.26 -0.99 117.16 121.25 1iu8 n TYR 132 Ca -0.16 -0.31 -0.15 0.00 -0.01 0.00 0.00 57.90 57.26 1iu8 n TYR 132 Cb 0.55 -0.01 -0.15 0.00 -0.02 0.00 0.00 39.34 39.70 1iu8 n TYR 132 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1iu8 s THR 133 N -1.02 -0.19 -1.25 -0.72 -1.32 -1.26 -4.52 115.64 105.36 1iu8 s THR 133 Ca 0.22 0.29 0.18 0.00 -1.21 0.00 0.00 61.69 61.17 1iu8 s THR 133 Cb 0.13 -0.29 0.68 0.00 -1.51 0.00 0.00 72.50 71.51 1iu8 s THR 133 CO 0.17 0.12 1.58 0.00 -2.21 0.00 0.00 174.62 174.28 1iu8 n ALA 134 N 4.93 3.01 0.00 11.08 0.00 -1.26 -5.04 120.51 133.24 1iu8 n ALA 134 Ca -0.12 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 51.85 1iu8 n ALA 134 Cb 0.50 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1iu8 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iu8 n GLY 135 N 1.15 -2.00 1.28 0.00 0.00 -1.26 -3.54 105.19 100.83 1iu8 n GLY 135 Ca 0.24 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.71 1iu8 n GLY 135 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iu8 n THR 136 N -0.00 0.50 -1.15 2.61 -2.24 -1.26 -4.55 114.28 108.19 1iu8 n THR 136 Ca 0.00 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 1iu8 n THR 136 Cb 0.00 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1iu8 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iu8 n TYR 137 N 0.12 0.00 0.01 4.78 9.36 -1.26 -1.56 117.16 128.61 1iu8 n TYR 137 Ca 0.09 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.31 1iu8 n TYR 137 Cb 1.04 0.00 0.30 0.00 -0.63 0.00 0.00 39.34 40.05 1iu8 n TYR 137 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1iu8 h LEU 138 N 0.00 0.47 0.20 2.98 -0.00 -1.97 -2.45 115.31 114.55 1iu8 h LEU 138 Ca 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1iu8 h LEU 138 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 1iu8 h LEU 138 CO 0.00 0.56 -0.10 0.00 -0.00 0.00 0.00 178.44 178.90 1iu8 h ASN 140 N -0.46 0.84 -0.14 0.00 -1.24 -1.60 -1.40 115.58 111.59 1iu8 h ASN 140 Ca -0.03 -0.05 0.04 0.00 0.71 0.00 0.00 56.30 56.97 1iu8 h ASN 140 Cb 0.35 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.15 1iu8 h ASN 140 CO 0.05 0.65 -0.09 0.15 -1.29 0.00 0.00 177.43 176.90 1iu8 h PHE 141 N 0.97 -0.21 -0.57 0.67 3.57 -1.18 0.72 116.94 120.92 1iu8 h PHE 141 Ca 0.25 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 1iu8 h PHE 141 Cb -0.03 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1iu8 h PHE 141 CO 0.00 -0.14 -0.04 0.00 -2.23 0.00 0.00 178.31 175.90 1iu8 h ALA 142 N 1.04 0.78 -0.14 2.41 0.00 -0.85 -1.68 119.26 120.81 1iu8 h ALA 142 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1iu8 h ALA 142 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1iu8 h ALA 142 CO -0.19 0.65 0.09 1.98 0.00 0.00 0.00 179.25 181.77 1iu8 h MET 143 N 0.93 0.17 -0.18 0.00 1.85 -0.81 -1.22 114.93 115.68 1iu8 h MET 143 Ca 0.16 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.22 1iu8 h MET 143 Cb 0.61 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 1iu8 h MET 143 CO 0.04 0.11 0.06 -0.92 -0.40 0.00 0.00 176.91 175.80 1iu8 h TYR 144 N 0.18 0.28 -0.67 1.39 3.20 -0.78 -1.75 116.97 118.82 1iu8 h TYR 144 Ca 0.05 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1iu8 h TYR 144 Cb -0.01 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1iu8 h TYR 144 CO -0.08 0.36 0.39 -0.07 -1.64 0.00 0.00 178.16 177.12 1iu8 h LEU 145 N 0.12 0.80 -0.16 2.82 3.38 -1.21 0.15 115.31 121.20 1iu8 h LEU 145 Ca 0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1iu8 h LEU 145 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1iu8 h LEU 145 CO -0.00 0.62 -0.03 0.74 0.09 0.00 0.00 178.44 179.86 1iu8 h THR 146 N 0.92 1.28 -0.10 0.22 2.02 -1.05 -0.86 112.91 115.34 1iu8 h THR 146 Ca 0.24 -0.98 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 1iu8 h THR 146 Cb -0.02 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1iu8 h THR 146 CO -0.04 0.29 -0.38 -0.07 0.37 0.00 0.00 175.52 175.69 1iu8 h LEU 147 N 0.02 0.22 -0.46 2.58 3.38 -1.02 -1.92 115.31 118.10 1iu8 h LEU 147 Ca 0.04 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1iu8 h LEU 147 Cb 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1iu8 h LEU 147 CO 0.02 0.59 -0.29 -0.74 0.09 0.00 0.00 178.44 178.11 1iu8 h HIS 148 N 0.18 1.13 -0.45 1.13 2.76 -0.62 -1.43 115.15 117.85 1iu8 h HIS 148 Ca 0.02 -0.30 -0.09 0.00 -2.20 0.00 0.00 60.37 57.80 1iu8 h HIS 148 Cb 0.76 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1iu8 h HIS 148 CO 0.01 1.12 -0.10 1.15 -1.30 0.00 0.00 177.93 178.82 1iu8 h THR 149 N 0.81 1.26 -0.24 6.26 2.02 -0.93 -1.13 112.91 120.96 1iu8 h THR 149 Ca 0.09 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1iu8 h THR 149 Cb 0.87 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1iu8 h THR 149 CO 0.08 0.40 0.13 -1.28 0.37 0.00 0.00 175.52 175.21 1iu8 h SER 150 N 0.73 0.30 0.04 4.18 0.87 -1.14 0.29 113.55 118.83 1iu8 h SER 150 Ca 0.13 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 1iu8 h SER 150 Cb 0.58 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1iu8 h SER 150 CO 0.04 0.31 -0.29 0.00 -0.53 0.00 0.00 176.83 176.36 1iu8 h ALA 151 N 1.00 1.15 0.00 6.23 0.00 -1.02 -1.47 119.26 125.15 1iu8 h ALA 151 Ca 0.08 -0.35 -0.27 0.00 0.00 0.00 0.00 54.91 54.38 1iu8 h ALA 151 Cb 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1iu8 h ALA 151 CO -0.01 0.54 -2.20 0.25 0.00 0.00 0.00 179.25 177.83 1iu8 n THR 152 N -4.11 1.06 0.21 0.00 -2.24 -0.45 -4.64 114.28 104.11 1iu8 n THR 152 Ca -0.01 -0.76 0.03 0.00 -2.27 0.00 0.00 64.05 61.04 1iu8 n THR 152 Cb 0.41 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1iu8 n THR 152 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iu8 n LYS 153 N -2.66 4.08 -0.13 -0.78 5.02 0.10 -5.03 118.16 118.77 1iu8 n LYS 153 Ca -0.24 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 1iu8 n LYS 153 Cb 1.00 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 1iu8 n LYS 153 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iu8 n GLY 154 N 1.36 1.00 2.91 0.72 0.00 -0.55 -5.00 105.19 105.62 1iu8 n GLY 154 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1iu8 n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iu8 s TYR 155 N -2.51 0.62 1.02 1.61 -0.85 -1.26 -4.02 117.35 111.95 1iu8 s TYR 155 Ca 0.00 -0.14 -0.15 0.00 -0.52 0.00 0.00 57.07 56.26 1iu8 s TYR 155 Cb 0.00 -0.52 0.20 0.00 0.38 0.00 0.00 41.96 42.02 1iu8 s TYR 155 CO 0.00 -0.11 1.15 -1.25 -1.52 0.00 0.00 175.55 173.82 1iu8 s PRO 156 N 0.54 0.28 0.03 -3.49 0.04 -1.25 -3.16 135.00 127.98 1iu8 s PRO 156 Ca -0.07 0.11 -0.19 0.00 0.04 0.00 0.00 61.00 60.90 1iu8 s PRO 156 Cb -0.10 -1.75 -0.20 0.00 0.04 0.00 0.00 34.50 32.49 1iu8 s PRO 156 CO -0.00 -2.75 1.19 0.87 0.04 0.00 0.00 177.00 176.35 1iu8 h LYS 157 N -1.89 0.46 -4.56 4.56 1.57 -0.76 -3.40 116.57 112.54 1iu8 h LYS 157 Ca -0.49 -0.40 -0.24 0.00 -1.87 0.00 0.00 60.65 57.66 1iu8 h LYS 157 Cb 1.31 0.09 -0.18 0.00 0.08 0.00 0.00 32.23 33.53 1iu8 h LYS 157 CO 0.50 1.04 -0.71 0.96 -0.57 0.00 0.00 179.45 180.66 1iu8 s ILE 158 N -3.55 0.57 0.24 1.86 -4.36 -1.11 -5.00 121.20 109.84 1iu8 s ILE 158 Ca -0.13 -1.48 -0.19 0.00 -0.26 0.00 0.00 60.65 58.58 1iu8 s ILE 158 Cb 0.05 -1.11 0.02 0.00 1.25 0.00 0.00 42.46 42.67 1iu8 s ILE 158 CO 0.82 -0.64 0.63 0.00 0.24 0.00 0.00 174.94 175.99 1iu8 s ALA 159 N -2.50 -1.07 0.11 2.27 0.00 -1.26 -2.31 121.76 117.00 1iu8 s ALA 159 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1iu8 s ALA 159 Cb -0.02 0.89 0.08 0.00 0.00 0.00 0.00 23.12 24.07 1iu8 s ALA 159 CO -0.03 -0.93 1.13 0.20 0.00 0.00 0.00 175.76 176.13 1iu8 s GLY 160 N -2.90 -0.01 -0.01 0.00 0.00 -0.91 -0.95 107.32 102.53 1iu8 s GLY 160 Ca 0.11 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.74 1iu8 s GLY 160 CO 0.03 3.08 -0.13 -0.12 0.00 0.00 0.00 173.10 175.95 1iu8 s PHE 161 N -2.21 1.19 -0.09 1.90 2.19 -1.26 -0.98 117.98 118.73 1iu8 s PHE 161 Ca 0.23 -0.23 0.01 0.00 0.33 0.00 0.00 56.93 57.27 1iu8 s PHE 161 Cb -0.01 -0.77 0.02 0.00 -1.31 0.00 0.00 43.02 40.94 1iu8 s PHE 161 CO 0.03 -0.03 -0.10 0.42 1.83 0.00 0.00 175.22 177.38 1iu8 s ILE 162 N -0.29 1.08 -0.13 3.12 1.01 -0.02 -1.25 121.20 124.72 1iu8 s ILE 162 Ca 0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 1iu8 s ILE 162 Cb -0.05 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1iu8 s ILE 162 CO -0.00 0.36 0.14 -1.00 0.00 0.00 0.00 174.94 174.44 1iu8 s HIS 163 N 1.28 3.58 0.14 3.97 3.76 0.07 -1.77 115.29 126.33 1iu8 s HIS 163 Ca -0.03 0.51 0.11 0.00 -0.15 0.00 0.00 55.06 55.50 1iu8 s HIS 163 Cb -0.14 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 1iu8 s HIS 163 CO -0.04 0.68 -0.26 0.14 -0.85 0.00 0.00 174.74 174.41 1iu8 s VAL 164 N -0.85 2.29 1.04 -0.90 -7.23 0.02 -0.74 120.40 114.02 1iu8 s VAL 164 Ca 0.14 -1.80 -0.15 0.00 -1.81 0.00 0.00 61.98 58.37 1iu8 s VAL 164 Cb -0.12 -2.03 0.21 0.00 0.56 0.00 0.00 36.38 35.00 1iu8 s VAL 164 CO 0.03 0.06 1.13 -2.84 -0.31 0.00 0.00 175.10 173.17 1iu8 s PRO 165 N -2.16 0.13 0.71 4.82 0.02 -1.26 -0.91 135.00 136.34 1iu8 s PRO 165 Ca 0.15 0.22 -0.15 0.00 0.02 0.00 0.00 61.00 61.24 1iu8 s PRO 165 Cb -0.10 -1.73 0.03 0.00 0.02 0.00 0.00 34.50 32.72 1iu8 s PRO 165 CO 0.07 -2.87 1.20 0.71 -0.33 0.00 0.00 177.00 175.78 1iu8 s TYR 166 N -3.12 2.14 0.40 6.54 2.02 -1.26 -4.71 117.35 119.36 1iu8 s TYR 166 Ca 0.67 1.59 -0.03 0.00 -0.37 0.00 0.00 57.07 58.93 1iu8 s TYR 166 Cb -0.14 -3.44 -0.04 0.00 -0.40 0.00 0.00 41.96 37.94 1iu8 s TYR 166 CO 0.56 -2.49 0.66 0.95 -1.57 0.00 0.00 175.55 173.67 1iu8 s THR 167 N -1.98 5.00 0.31 -0.71 -4.23 -1.26 -0.88 115.64 111.90 1iu8 s THR 167 Ca 0.74 -0.08 0.08 0.00 -1.18 0.00 0.00 61.69 61.24 1iu8 s THR 167 Cb -0.28 -3.85 0.30 0.00 1.34 0.00 0.00 72.50 70.01 1iu8 s THR 167 CO 0.44 -0.67 1.74 -0.65 -0.54 0.00 0.00 174.62 174.93 1iu8 h PRO 168 N 0.61 0.58 0.00 3.99 0.11 -1.91 -0.80 132.00 134.58 1iu8 h PRO 168 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1iu8 h PRO 168 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1iu8 h PRO 168 CO 0.62 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.39 1iu8 n ASP 169 N -4.88 0.54 0.02 -2.05 5.75 -1.26 -2.37 116.55 112.30 1iu8 n ASP 169 Ca 0.25 0.70 0.12 0.00 -0.01 0.00 0.00 54.79 55.85 1iu8 n ASP 169 Cb 0.69 -0.79 0.14 0.00 -1.03 0.00 0.00 41.12 40.14 1iu8 n ASP 169 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iu8 n GLN 170 N -2.17 0.16 -0.12 0.11 6.02 -0.31 -4.34 117.38 116.74 1iu8 n GLN 170 Ca 0.00 0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.11 1iu8 n GLN 170 Cb 0.10 -1.58 0.15 0.00 1.02 0.00 0.00 30.24 29.94 1iu8 n GLN 170 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1iu8 n VAL 171 N -1.80 1.94 0.05 5.09 0.24 -1.00 -4.75 118.33 118.10 1iu8 n VAL 171 Ca 0.04 -2.23 0.13 0.00 -2.04 0.00 0.00 64.34 60.24 1iu8 n VAL 171 Cb 0.39 -0.24 0.60 0.00 -1.47 0.00 0.00 33.84 33.12 1iu8 n VAL 171 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1iu8 h LEU 172 N 0.22 0.15 -3.03 1.34 3.38 -1.76 -1.61 115.31 114.00 1iu8 h LEU 172 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iu8 h LEU 172 Cb 1.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1iu8 h LEU 172 CO 0.03 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 1iu8 n GLU 173 N -4.46 2.72 -3.70 1.13 -0.58 -1.26 -4.95 120.64 109.53 1iu8 n GLU 173 Ca 0.05 -2.26 -0.37 0.00 -0.42 0.00 0.00 57.16 54.16 1iu8 n GLU 173 Cb 0.34 -1.43 -0.12 0.00 -0.57 0.00 0.00 31.44 29.66 1iu8 n GLU 173 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1iu8 s LYS 174 N -1.79 3.57 0.24 3.49 1.02 -0.61 -5.08 119.74 120.59 1iu8 s LYS 174 Ca 0.26 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 1iu8 s LYS 174 Cb 0.19 -3.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.96 1iu8 s LYS 174 CO 0.09 -0.27 1.20 0.21 -0.92 0.00 0.00 175.35 175.67 1iu8 s LYS 175 N 1.63 4.50 -1.60 1.68 2.47 -1.26 -3.76 119.74 123.39 1iu8 s LYS 175 Ca 0.06 1.94 -0.10 0.00 -1.56 0.00 0.00 55.97 56.31 1iu8 s LYS 175 Cb -0.16 -3.19 0.09 0.00 -1.46 0.00 0.00 37.83 33.11 1iu8 s LYS 175 CO 0.05 -0.04 0.51 -1.71 0.16 0.00 0.00 175.35 174.32 1iu8 n ASN 176 N 1.82 -1.41 -4.16 1.43 5.15 -1.26 -4.94 115.26 111.89 1iu8 n ASN 176 Ca 0.02 -1.09 -0.33 0.00 -0.60 0.00 0.00 54.58 52.58 1iu8 n ASN 176 Cb 0.44 -2.50 -0.15 0.00 -0.53 0.00 0.00 39.78 37.03 1iu8 n ASN 176 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1iu8 s THR 177 N -3.70 2.40 0.64 -0.44 2.01 -1.25 -5.11 115.64 110.19 1iu8 s THR 177 Ca 0.39 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 61.29 1iu8 s THR 177 Cb -0.21 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1iu8 s THR 177 CO 0.94 0.43 1.12 -2.16 -0.69 0.00 0.00 174.62 174.26 1iu8 s PRO 178 N 1.31 2.87 0.20 4.92 0.04 -1.26 -4.96 135.00 138.12 1iu8 s PRO 178 Ca 0.03 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 1iu8 s PRO 178 Cb -0.14 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1iu8 s PRO 178 CO -0.10 -1.21 0.30 -1.54 0.04 0.00 0.00 177.00 174.49 1iu8 s SER 179 N -2.34 0.04 -0.06 6.66 1.04 -1.26 -4.27 113.70 113.50 1iu8 s SER 179 Ca 0.69 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.03 1iu8 s SER 179 Cb -0.22 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1iu8 s SER 179 CO 0.38 -0.95 0.16 -0.32 0.98 0.00 0.00 173.24 173.50 1iu8 s MET 180 N -4.04 0.18 0.44 4.02 1.75 -0.05 -4.90 119.30 116.70 1iu8 s MET 180 Ca 0.25 0.26 -0.25 0.00 -1.25 0.00 0.00 55.69 54.69 1iu8 s MET 180 Cb 0.03 0.05 -0.09 0.00 2.84 0.00 0.00 34.83 37.66 1iu8 s MET 180 CO 0.06 -0.05 1.35 -1.13 -0.65 0.00 0.00 175.02 174.60 1iu8 n SER 181 N 3.20 2.90 -0.35 1.11 3.41 -1.26 -3.96 113.62 118.67 1iu8 n SER 181 Ca -0.15 1.11 0.02 0.00 -0.26 0.00 0.00 58.87 59.58 1iu8 n SER 181 Cb 0.58 -1.55 0.17 0.00 -0.26 0.00 0.00 64.21 63.15 1iu8 n SER 181 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1iu8 h LEU 182 N 2.14 1.04 -0.73 1.04 5.85 -1.97 -2.11 115.31 120.57 1iu8 h LEU 182 Ca -0.49 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.28 1iu8 h LEU 182 Cb 1.28 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1iu8 h LEU 182 CO 0.60 0.69 0.44 -2.24 -0.34 0.00 0.00 178.44 177.59 1iu8 h ASP 183 N 1.19 0.68 -0.29 1.25 3.04 -1.99 0.72 116.42 121.02 1iu8 h ASP 183 Ca 0.40 0.02 -0.13 0.00 -3.24 0.00 0.00 57.03 54.08 1iu8 h ASP 183 Cb 0.08 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 38.23 1iu8 h ASP 183 CO -0.14 0.45 -0.29 -0.07 -2.04 0.00 0.00 179.24 177.14 1iu8 h LEU 184 N 0.81 0.83 -0.55 0.15 3.38 -1.77 -1.34 115.31 116.82 1iu8 h LEU 184 Ca 0.32 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1iu8 h LEU 184 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1iu8 h LEU 184 CO -0.16 1.06 0.11 -0.33 0.09 0.00 0.00 178.44 179.21 1iu8 h GLU 185 N 0.68 0.90 -0.42 1.13 5.08 -0.79 0.11 114.58 121.27 1iu8 h GLU 185 Ca 0.08 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1iu8 h GLU 185 Cb 0.83 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1iu8 h GLU 185 CO 0.07 0.86 0.15 0.82 -1.00 0.00 0.00 179.01 179.90 1iu8 h ILE 186 N 0.79 1.21 -0.78 3.13 2.04 -0.75 -1.33 117.51 121.82 1iu8 h ILE 186 Ca 0.17 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1iu8 h ILE 186 Cb 0.38 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1iu8 h ILE 186 CO 0.01 0.24 0.44 0.50 0.00 0.00 0.00 178.15 179.34 1iu8 h LYS 187 N 0.53 1.07 -0.36 2.37 3.64 -0.98 -0.39 116.57 122.45 1iu8 h LYS 187 Ca 0.14 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1iu8 h LYS 187 Cb 0.23 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1iu8 h LYS 187 CO -0.01 0.78 0.18 0.78 -2.27 0.00 0.00 179.45 178.91 1iu8 h GLY 188 N 1.07 0.55 1.52 5.01 0.00 -0.45 -1.02 103.07 109.75 1iu8 h GLY 188 Ca 0.28 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1iu8 h GLY 188 CO -0.05 0.26 -0.17 -2.08 0.00 0.00 0.00 176.54 174.50 1iu8 h VAL 189 N 0.44 1.25 -0.64 4.60 2.07 -1.01 -1.11 116.25 121.85 1iu8 h VAL 189 Ca 0.12 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1iu8 h VAL 189 Cb 0.11 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1iu8 h VAL 189 CO -0.02 0.38 0.30 -0.08 0.02 0.00 0.00 177.57 178.18 1iu8 h GLU 190 N 0.52 0.92 -0.46 1.57 4.81 -0.76 -1.09 114.58 120.09 1iu8 h GLU 190 Ca 0.09 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1iu8 h GLU 190 Cb 0.59 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1iu8 h GLU 190 CO 0.04 0.74 0.28 0.82 -0.73 0.00 0.00 179.01 180.16 1iu8 h ILE 191 N 0.88 1.15 -0.65 2.32 2.04 -0.71 -1.10 117.51 121.44 1iu8 h ILE 191 Ca 0.22 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.80 1iu8 h ILE 191 Cb 0.12 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1iu8 h ILE 191 CO -0.03 0.15 0.36 0.00 0.00 0.00 0.00 178.15 178.63 1iu8 h ALA 192 N 1.13 0.86 -0.02 1.87 0.00 -0.72 0.43 119.26 122.81 1iu8 h ALA 192 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1iu8 h ALA 192 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1iu8 h ALA 192 CO -0.03 0.04 0.01 0.82 0.00 0.00 0.00 179.25 180.09 1iu8 h ILE 193 N 0.67 1.08 -0.61 0.00 2.04 -0.77 -1.02 117.51 118.90 1iu8 h ILE 193 Ca 0.29 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1iu8 h ILE 193 Cb 0.16 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1iu8 h ILE 193 CO -0.17 0.07 0.22 0.03 0.00 0.00 0.00 178.15 178.30 1iu8 h ARG 194 N -0.08 0.93 -0.50 2.37 2.47 -0.83 -0.04 114.38 118.71 1iu8 h ARG 194 Ca 0.01 -0.18 -0.09 0.00 -1.26 0.00 0.00 59.98 58.45 1iu8 h ARG 194 Cb 0.10 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1iu8 h ARG 194 CO -0.00 0.81 -0.04 0.28 0.56 0.00 0.00 179.97 181.57 1iu8 h VAL 195 N 0.86 1.27 -0.66 2.04 2.07 -0.88 -0.16 116.25 120.79 1iu8 h VAL 195 Ca 0.20 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 1iu8 h VAL 195 Cb 0.24 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1iu8 h VAL 195 CO -0.01 0.40 0.16 0.00 0.02 0.00 0.00 177.57 178.14 1iu8 h ALA 196 N 0.92 0.87 -0.56 1.67 0.00 -1.00 -0.96 119.26 120.20 1iu8 h ALA 196 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1iu8 h ALA 196 Cb 0.58 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1iu8 h ALA 196 CO 0.03 0.59 0.31 0.37 0.00 0.00 0.00 179.25 180.55 1iu8 h GLN 197 N 0.99 0.79 -0.49 0.00 4.15 -0.74 -1.16 115.11 118.65 1iu8 h GLN 197 Ca 0.21 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1iu8 h GLN 197 Cb 0.37 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1iu8 h GLN 197 CO 0.00 0.61 0.08 1.03 -1.93 0.00 0.00 178.83 178.63 1iu8 h SER 198 N 0.76 0.77 -0.59 -0.69 0.87 -0.72 -1.78 113.55 112.17 1iu8 h SER 198 Ca 0.20 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1iu8 h SER 198 Cb 0.05 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1iu8 h SER 198 CO -0.03 0.83 0.26 0.00 -0.53 0.00 0.00 176.83 177.36 1iu8 h ALA 199 N 0.97 0.77 -0.61 6.23 0.00 -0.93 -0.29 119.26 125.40 1iu8 h ALA 199 Ca 0.15 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1iu8 h ALA 199 Cb 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1iu8 h ALA 199 CO 0.01 0.36 0.07 1.25 0.00 0.00 0.00 179.25 180.93 1iu8 h LEU 200 N 0.81 0.99 -0.32 0.00 5.85 -1.12 -1.47 115.31 120.06 1iu8 h LEU 200 Ca 0.20 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1iu8 h LEU 200 Cb 0.17 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1iu8 h LEU 200 CO -0.02 1.02 0.04 -0.74 -0.34 0.00 0.00 178.44 178.40 1iu8 h HIS 201 N 0.93 0.57 -0.26 1.25 2.76 -1.06 -2.98 115.15 116.36 1iu8 h HIS 201 Ca 0.18 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1iu8 h HIS 201 Cb 0.47 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1iu8 h HIS 201 CO 0.03 0.62 -0.08 0.66 -1.30 0.00 0.00 177.93 177.87 1iu8 h SER 202 N 0.36 0.39 0.83 3.26 4.64 -0.93 -2.05 113.55 120.04 1iu8 h SER 202 Ca 0.10 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1iu8 h SER 202 Cb 0.36 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1iu8 h SER 202 CO 0.01 0.51 0.00 -1.54 -0.87 0.00 0.00 176.83 174.94 1iu8 n SER 203 N -4.26 0.70 -0.97 4.97 3.41 -0.57 -2.44 113.62 114.47 1iu8 n SER 203 Ca 0.00 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.38 1iu8 n SER 203 Cb 0.27 -0.81 0.14 0.00 -0.26 0.00 0.00 64.21 63.55 1iu8 n SER 203 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iu8 n GLN 204 N -2.26 2.22 -1.56 4.33 6.02 -0.78 -4.98 117.38 120.37 1iu8 n GLN 204 Ca 0.03 -2.00 -0.21 0.00 -0.01 0.00 0.00 57.00 54.80 1iu8 n GLN 204 Cb 0.26 -1.45 0.14 0.00 1.02 0.00 0.00 30.24 30.21 1iu8 n GLN 204 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1iu8 n LEU 205 N 1.30 0.00 0.00 1.08 4.77 -1.02 -5.10 117.00 118.03 1iu8 n LEU 205 Ca 0.15 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1iu8 n LEU 205 Cb 0.56 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1iu8 n LEU 205 CO 0.14 -1.15 0.00 -2.11 -1.33 0.00 0.00 177.39 172.94