#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iv8 s MET 1 N 0.00 3.42 0.25 0.00 1.00 -1.26 -4.71 119.30 118.00 3iv8 s MET 1 Ca 0.00 1.44 -0.05 0.00 0.00 0.00 0.00 55.69 57.08 3iv8 s MET 1 Cb 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 34.83 32.78 3iv8 s MET 1 CO 0.00 -0.76 0.33 1.52 0.00 0.00 0.00 175.02 176.11 3iv8 s TYR 2 N -2.01 0.86 -0.06 -0.03 -0.85 -0.94 -4.36 117.35 109.97 3iv8 s TYR 2 Ca 0.69 -1.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.13 3iv8 s TYR 2 Cb -0.20 -0.20 0.02 0.00 0.38 0.00 0.00 41.96 41.96 3iv8 s TYR 2 CO 0.28 -0.87 -0.07 0.00 -1.52 0.00 0.00 175.55 173.37 3iv8 s ALA 3 N -3.89 0.90 0.15 9.51 0.00 -0.25 -0.98 121.76 127.20 3iv8 s ALA 3 Ca 0.31 -0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.82 3iv8 s ALA 3 Cb 0.03 -0.52 -0.08 0.00 0.00 0.00 0.00 23.12 22.55 3iv8 s ALA 3 CO 0.13 -0.02 0.77 -0.51 0.00 0.00 0.00 175.76 176.12 3iv8 s LEU 4 N 0.94 4.58 0.15 0.00 2.01 0.66 -1.47 118.68 125.56 3iv8 s LEU 4 Ca -0.10 1.61 -0.09 0.00 0.01 0.00 0.00 54.13 55.55 3iv8 s LEU 4 Cb -0.15 -3.27 -0.00 0.00 0.01 0.00 0.00 46.19 42.78 3iv8 s LEU 4 CO 0.00 0.20 0.28 -0.89 1.01 0.00 0.00 176.35 176.95 3iv8 s THR 5 N -1.05 0.08 -0.86 5.49 2.01 -0.55 -1.45 115.64 119.31 3iv8 s THR 5 Ca 0.36 -1.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 3iv8 s THR 5 Cb -0.23 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 3iv8 s THR 5 CO 0.26 -0.36 0.70 -3.20 -0.69 0.00 0.00 174.62 171.34 3iv8 n ASN 6 N -0.19 -6.43 -3.61 3.53 5.15 -1.26 -0.88 115.26 111.56 3iv8 n ASN 6 Ca -0.09 -0.54 -0.08 0.00 -0.60 0.00 0.00 54.58 53.26 3iv8 n ASN 6 Cb 0.63 -3.91 -0.02 0.00 -0.53 0.00 0.00 39.78 35.95 3iv8 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iv8 s LYS 8 N -3.57 4.24 -0.17 0.00 2.20 -0.32 -4.41 119.74 117.70 3iv8 s LYS 8 Ca 0.06 0.18 -0.03 0.00 -0.36 0.00 0.00 55.97 55.83 3iv8 s LYS 8 Cb -0.02 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3iv8 s LYS 8 CO -0.04 0.11 -0.05 0.42 -0.36 0.00 0.00 175.35 175.43 3iv8 s ILE 9 N 0.83 3.61 -0.65 5.43 1.01 -0.53 0.52 121.20 131.43 3iv8 s ILE 9 Ca 0.19 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 3iv8 s ILE 9 Cb -0.14 -2.59 0.17 0.00 0.01 0.00 0.00 42.46 39.91 3iv8 s ILE 9 CO 0.06 0.47 0.49 -0.31 0.00 0.00 0.00 174.94 175.66 3iv8 s TYR 10 N 0.69 3.48 -0.32 3.97 2.02 0.46 0.86 117.35 128.51 3iv8 s TYR 10 Ca -0.03 -2.53 0.27 0.00 -0.37 0.00 0.00 57.07 54.41 3iv8 s TYR 10 Cb -0.15 -3.33 0.77 0.00 -0.40 0.00 0.00 41.96 38.85 3iv8 s TYR 10 CO 0.02 -0.88 1.75 1.79 -1.57 0.00 0.00 175.55 176.67 3iv8 h THR 11 N 5.27 0.00 0.00 -0.71 1.35 -1.57 -3.39 112.91 113.87 3iv8 h THR 11 Ca -0.01 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3iv8 h THR 11 Cb 0.98 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 3iv8 h THR 11 CO 0.73 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 3iv8 n GLY 12 N 0.72 3.10 0.05 5.82 0.00 -1.26 -1.00 105.19 112.62 3iv8 n GLY 12 Ca 0.03 -1.06 -0.00 0.00 0.00 0.00 0.00 46.02 44.99 3iv8 n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iv8 n ASN 13 N 0.32 0.75 -3.77 1.61 3.02 -1.26 -5.00 115.26 110.92 3iv8 n ASN 13 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 3iv8 n ASN 13 Cb 0.00 1.36 -0.09 0.00 -0.61 0.00 0.00 39.78 40.43 3iv8 n ASN 13 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3iv8 s ASP 14 N -4.66 -0.21 -0.23 6.41 1.11 -1.26 -5.12 116.67 112.70 3iv8 s ASP 14 Ca -0.08 0.21 -0.12 0.00 0.18 0.00 0.00 52.55 52.75 3iv8 s ASP 14 Cb 0.08 0.40 -0.05 0.00 1.07 0.00 0.00 42.92 44.42 3iv8 s ASP 14 CO 0.74 -0.34 0.22 -0.69 1.18 0.00 0.00 175.17 176.27 3iv8 s VAL 15 N -0.91 5.32 -0.11 -1.27 1.01 -1.26 -1.56 120.40 121.61 3iv8 s VAL 15 Ca -0.10 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.22 3iv8 s VAL 15 Cb -0.05 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3iv8 s VAL 15 CO 0.03 0.31 -0.23 -0.76 0.00 0.00 0.00 175.10 174.45 3iv8 s LEU 16 N 1.18 2.08 -0.00 3.92 1.43 0.25 -4.96 118.68 122.58 3iv8 s LEU 16 Ca 0.10 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3iv8 s LEU 16 Cb -0.14 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3iv8 s LEU 16 CO 0.06 0.14 -0.10 -0.69 0.23 0.00 0.00 176.35 175.98 3iv8 s VAL 17 N 0.44 3.37 -1.37 -1.59 1.01 -1.26 -1.45 120.40 119.55 3iv8 s VAL 17 Ca -0.17 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 3iv8 s VAL 17 Cb -0.17 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3iv8 s VAL 17 CO 0.07 0.42 0.59 0.29 0.00 0.00 0.00 175.10 176.48 3iv8 n LYS 18 N 1.71 -4.20 -4.50 2.72 5.02 -1.26 -4.97 118.16 112.69 3iv8 n LYS 18 Ca -0.16 0.52 -0.25 0.00 -2.02 0.00 0.00 58.31 56.40 3iv8 n LYS 18 Cb 0.52 -4.91 -0.09 0.00 -0.02 0.00 0.00 35.03 30.54 3iv8 n LYS 18 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3iv8 s HIS 19 N -3.77 1.81 0.17 2.13 3.76 -1.26 -2.42 115.29 115.71 3iv8 s HIS 19 Ca 0.06 -1.21 0.01 0.00 -0.15 0.00 0.00 55.06 53.77 3iv8 s HIS 19 Cb -0.03 -1.18 -0.04 0.00 1.11 0.00 0.00 32.58 32.44 3iv8 s HIS 19 CO 0.85 -0.23 0.02 0.00 -0.85 0.00 0.00 174.74 174.53 3iv8 s ALA 20 N -3.25 1.25 -0.12 -1.40 0.00 0.73 -4.49 121.76 114.48 3iv8 s ALA 20 Ca 0.26 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.67 3iv8 s ALA 20 Cb 0.04 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3iv8 s ALA 20 CO 0.14 -0.38 -0.20 0.08 0.00 0.00 0.00 175.76 175.41 3iv8 s VAL 21 N -3.77 1.88 -0.24 0.00 1.01 -0.53 -2.30 120.40 116.44 3iv8 s VAL 21 Ca 0.25 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 3iv8 s VAL 21 Cb 0.07 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3iv8 s VAL 21 CO 0.04 0.52 0.13 -0.63 0.00 0.00 0.00 175.10 175.16 3iv8 s ILE 22 N 0.81 4.99 -0.11 2.22 1.01 0.19 -0.24 121.20 130.06 3iv8 s ILE 22 Ca -0.08 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 3iv8 s ILE 22 Cb -0.16 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 3iv8 s ILE 22 CO -0.00 0.34 0.15 -0.63 0.00 0.00 0.00 174.94 174.79 3iv8 s ILE 23 N 1.29 5.48 -0.28 2.92 1.09 -0.16 0.48 121.20 132.02 3iv8 s ILE 23 Ca 0.06 0.24 -0.03 0.00 -1.10 0.00 0.00 60.65 59.82 3iv8 s ILE 23 Cb -0.14 -3.42 0.10 0.00 -1.06 0.00 0.00 42.46 37.94 3iv8 s ILE 23 CO 0.06 0.62 0.16 0.21 -0.10 0.00 0.00 174.94 175.89 3iv8 s ASN 24 N -1.03 3.05 1.25 3.58 2.47 -0.37 -2.20 114.94 121.70 3iv8 s ASN 24 Ca 0.15 -1.12 0.00 0.00 0.42 0.00 0.00 52.86 52.31 3iv8 s ASN 24 Cb -0.12 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.52 3iv8 s ASN 24 CO 0.04 -0.42 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 3iv8 n GLY 25 N 5.27 2.16 0.54 1.21 0.00 -1.26 -2.21 105.19 110.88 3iv8 n GLY 25 Ca -0.05 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.70 3iv8 n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iv8 n ASP 26 N 8.07 1.67 -4.53 1.61 5.75 -1.26 -3.91 116.55 123.96 3iv8 n ASP 26 Ca 0.00 -1.57 -0.24 0.00 -0.01 0.00 0.00 54.79 52.97 3iv8 n ASP 26 Cb 0.00 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 39.99 3iv8 n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3iv8 s LYS 27 N -1.98 1.85 -0.31 0.11 1.02 -0.94 -0.21 119.74 119.28 3iv8 s LYS 27 Ca 0.37 -1.71 -0.25 0.00 0.02 0.00 0.00 55.97 54.39 3iv8 s LYS 27 Cb 0.21 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 3iv8 s LYS 27 CO 0.33 0.30 0.86 0.42 -0.92 0.00 0.00 175.35 176.34 3iv8 s ILE 28 N -2.48 4.72 0.05 2.17 1.01 0.04 -1.23 121.20 125.48 3iv8 s ILE 28 Ca 0.31 1.33 -0.17 0.00 0.00 0.00 0.00 60.65 62.12 3iv8 s ILE 28 Cb -0.04 -4.21 -0.16 0.00 0.01 0.00 0.00 42.46 38.06 3iv8 s ILE 28 CO 0.16 -0.30 1.28 -0.33 0.00 0.00 0.00 174.94 175.75 3iv8 h GLU 29 N 8.09 0.54 -1.32 2.79 4.39 -0.29 -1.33 114.58 127.46 3iv8 h GLU 29 Ca -0.23 -0.39 0.17 0.00 0.34 0.00 0.00 59.36 59.25 3iv8 h GLU 29 Cb 1.09 0.06 -0.25 0.00 -0.10 0.00 0.00 28.75 29.55 3iv8 h GLU 29 CO 0.92 1.01 0.75 0.00 -1.16 0.00 0.00 179.01 180.53 3iv8 s ALA 30 N -3.87 -2.03 -0.17 3.43 0.00 -1.17 -4.68 121.76 113.27 3iv8 s ALA 30 Ca -0.13 1.73 0.01 0.00 0.00 0.00 0.00 51.96 53.58 3iv8 s ALA 30 Cb 0.06 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.12 3iv8 s ALA 30 CO 0.82 -0.29 -0.19 0.08 0.00 0.00 0.00 175.76 176.18 3iv8 s VAL 31 N -1.12 1.97 0.09 0.00 1.01 -1.26 -0.64 120.40 120.46 3iv8 s VAL 31 Ca 0.04 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 3iv8 s VAL 31 Cb -0.01 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.60 3iv8 s VAL 31 CO -0.03 0.53 0.29 0.00 0.00 0.00 0.00 175.10 175.88 3iv8 s PRO 33 N -3.58 2.03 0.47 0.00 0.02 -1.26 -0.19 135.00 132.48 3iv8 s PRO 33 Ca 0.02 1.61 0.16 0.00 0.02 0.00 0.00 61.00 62.81 3iv8 s PRO 33 Cb 0.03 -1.84 1.12 0.00 0.02 0.00 0.00 34.50 33.83 3iv8 s PRO 33 CO -0.10 -1.89 2.04 0.97 -0.33 0.00 0.00 177.00 177.69 3iv8 h ILE 34 N -0.64 1.04 0.00 2.83 6.09 -1.73 -1.13 117.51 123.97 3iv8 h ILE 34 Ca -0.46 -0.48 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 3iv8 h ILE 34 Cb 1.28 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.83 3iv8 h ILE 34 CO 0.49 0.13 0.00 -0.33 -3.07 0.00 0.00 178.15 175.37 3iv8 h GLU 35 N 0.00 0.00 0.00 2.19 3.07 -1.91 -2.95 114.58 114.99 3iv8 h GLU 35 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3iv8 h GLU 35 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3iv8 h GLU 35 CO 0.02 0.00 -0.18 0.43 -1.40 0.00 0.00 179.01 177.88 3iv8 n SER 36 N -2.83 0.28 -4.70 1.42 7.64 -0.43 -4.88 113.62 110.13 3iv8 n SER 36 Ca 0.03 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.76 3iv8 n SER 36 Cb 0.38 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 3iv8 n SER 36 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3iv8 s LEU 37 N -3.27 4.35 0.41 -3.43 2.96 -1.12 -4.97 118.68 113.62 3iv8 s LEU 37 Ca 0.12 2.27 -0.25 0.00 -0.22 0.00 0.00 54.13 56.05 3iv8 s LEU 37 Cb 0.17 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.19 3iv8 s LEU 37 CO 0.60 -0.72 1.14 -2.65 -1.32 0.00 0.00 176.35 173.40 3iv8 n PRO 38 N 4.80 1.64 -0.34 0.98 -0.02 -1.26 -4.92 135.00 135.88 3iv8 n PRO 38 Ca 0.13 0.58 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 3iv8 n PRO 38 Cb 0.42 -2.20 0.11 0.00 -0.02 0.00 0.00 33.50 31.81 3iv8 n PRO 38 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3iv8 h SER 39 N 1.83 1.12 0.93 2.55 0.02 -1.98 -2.71 113.55 115.31 3iv8 h SER 39 Ca -0.46 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.40 3iv8 h SER 39 Cb 1.32 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 3iv8 h SER 39 CO 0.59 0.87 -0.08 -0.33 -1.14 0.00 0.00 176.83 176.73 3iv8 h GLU 40 N 1.28 0.00 -6.60 3.45 3.07 -2.04 -3.46 114.58 110.28 3iv8 h GLU 40 Ca 0.33 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.67 3iv8 h GLU 40 Cb -0.04 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 27.91 3iv8 h GLU 40 CO -0.06 0.08 0.91 1.41 -1.40 0.00 0.00 179.01 179.95 3iv8 s MET 41 N -3.71 4.20 0.53 2.33 1.75 -1.02 -5.00 119.30 118.38 3iv8 s MET 41 Ca 0.01 2.40 -0.20 0.00 -1.25 0.00 0.00 55.69 56.64 3iv8 s MET 41 Cb 0.10 -3.18 -0.06 0.00 2.84 0.00 0.00 34.83 34.53 3iv8 s MET 41 CO 0.57 -0.64 1.16 -0.80 -0.65 0.00 0.00 175.02 174.66 3iv8 s ASN 42 N 1.27 5.73 -0.05 1.11 0.01 -1.26 -4.92 114.94 116.83 3iv8 s ASN 42 Ca 0.71 2.27 0.01 0.00 -0.71 0.00 0.00 52.86 55.13 3iv8 s ASN 42 Cb -0.44 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 38.65 3iv8 s ASN 42 CO 0.31 -1.21 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.97 3iv8 s VAL 43 N -1.67 0.48 -0.23 1.60 1.01 -1.26 -1.09 120.40 119.24 3iv8 s VAL 43 Ca 0.71 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 3iv8 s VAL 43 Cb -0.27 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3iv8 s VAL 43 CO 0.31 0.22 0.08 -0.69 0.00 0.00 0.00 175.10 175.02 3iv8 s VAL 44 N 1.06 4.54 -0.22 2.92 1.01 -0.54 -4.95 120.40 124.21 3iv8 s VAL 44 Ca -0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 3iv8 s VAL 44 Cb -0.14 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3iv8 s VAL 44 CO -0.01 0.36 0.09 -0.62 0.00 0.00 0.00 175.10 174.92 3iv8 s ASP 45 N 1.29 5.53 -0.02 3.32 -1.08 -1.26 -1.48 116.67 122.98 3iv8 s ASP 45 Ca 0.05 -0.03 0.21 0.00 -0.52 0.00 0.00 52.55 52.26 3iv8 s ASP 45 Cb -0.15 -1.98 0.63 0.00 -1.46 0.00 0.00 42.92 39.97 3iv8 s ASP 45 CO 0.04 0.06 1.53 0.18 0.52 0.00 0.00 175.17 177.50 3iv8 n LEU 46 N 4.29 3.91 -3.02 -1.34 4.77 -0.06 -4.95 117.00 120.61 3iv8 n LEU 46 Ca -0.16 -1.96 -0.22 0.00 -0.03 0.00 0.00 56.01 53.64 3iv8 n LEU 46 Cb 0.52 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3iv8 n LEU 46 CO 0.33 0.92 -0.03 -3.20 -1.33 0.00 0.00 177.39 174.08 3iv8 n ASN 47 N 1.49 -5.73 0.00 -1.43 5.15 -1.15 -2.06 115.26 111.52 3iv8 n ASN 47 Ca 0.24 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 3iv8 n ASN 47 Cb 0.64 -4.65 0.00 0.00 -0.53 0.00 0.00 39.78 35.24 3iv8 n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iv8 n GLY 48 N -1.43 0.76 3.85 8.20 0.00 0.08 -5.02 105.19 111.62 3iv8 n GLY 48 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3iv8 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv8 s ALA 49 N -2.78 1.96 0.12 4.61 0.00 -0.88 -4.38 121.76 120.43 3iv8 s ALA 49 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 3iv8 s ALA 49 Cb 0.00 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 3iv8 s ALA 49 CO 0.00 -2.46 0.62 -0.80 0.00 0.00 0.00 175.76 173.13 3iv8 s ASN 50 N -4.52 7.09 -0.11 0.00 0.01 0.96 -1.18 114.94 117.19 3iv8 s ASN 50 Ca 0.69 1.33 0.03 0.00 -0.71 0.00 0.00 52.86 54.20 3iv8 s ASN 50 Cb -0.08 -2.38 0.01 0.00 0.41 0.00 0.00 41.25 39.20 3iv8 s ASN 50 CO 0.53 0.21 -0.20 -0.22 -1.51 0.00 0.00 177.10 175.91 3iv8 s LEU 51 N -1.35 1.96 0.25 0.60 2.96 0.19 -1.14 118.68 122.14 3iv8 s LEU 51 Ca 0.33 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 3iv8 s LEU 51 Cb -0.19 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3iv8 s LEU 51 CO 0.21 0.09 0.22 -0.94 -1.32 0.00 0.00 176.35 174.60 3iv8 s SER 52 N 0.65 0.56 0.82 3.68 1.04 -0.57 -0.40 113.70 119.49 3iv8 s SER 52 Ca -0.12 -1.45 -0.12 0.00 0.48 0.00 0.00 55.95 54.74 3iv8 s SER 52 Cb -0.16 0.46 0.09 0.00 0.10 0.00 0.00 66.02 66.51 3iv8 s SER 52 CO 0.03 -0.95 1.15 -2.84 0.98 0.00 0.00 173.24 171.61 3iv8 s PRO 53 N -3.90 1.68 0.48 4.02 0.02 -1.26 -0.61 135.00 135.43 3iv8 s PRO 53 Ca 0.38 1.51 -0.23 0.00 0.02 0.00 0.00 61.00 62.68 3iv8 s PRO 53 Cb 0.05 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.69 3iv8 s PRO 53 CO 0.16 -2.13 1.27 0.20 -0.33 0.00 0.00 177.00 176.18 3iv8 s GLY 54 N -2.66 2.86 0.44 0.52 0.00 0.27 -4.13 107.32 104.61 3iv8 s GLY 54 Ca 0.67 1.16 -0.24 0.00 0.00 0.00 0.00 44.72 46.32 3iv8 s GLY 54 CO 0.53 1.68 1.17 -1.36 0.00 0.00 0.00 173.10 175.12 3iv8 s PHE 55 N -1.38 2.94 -0.24 1.90 0.08 -0.59 -4.67 117.98 116.01 3iv8 s PHE 55 Ca 0.65 1.54 -0.01 0.00 0.12 0.00 0.00 56.93 59.22 3iv8 s PHE 55 Cb -0.35 -3.38 0.02 0.00 -0.57 0.00 0.00 43.02 38.74 3iv8 s PHE 55 CO 0.43 -1.44 -0.08 0.42 -0.10 0.00 0.00 175.22 174.45 3iv8 s ILE 56 N -1.50 2.78 -0.47 0.64 1.01 0.10 -1.60 121.20 122.16 3iv8 s ILE 56 Ca 0.61 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 3iv8 s ILE 56 Cb -0.29 -2.39 0.07 0.00 0.01 0.00 0.00 42.46 39.86 3iv8 s ILE 56 CO 0.36 0.24 0.42 -0.62 0.00 0.00 0.00 174.94 175.34 3iv8 s ASP 57 N 1.32 6.16 0.00 3.58 -1.08 -0.21 -4.75 116.67 121.69 3iv8 s ASP 57 Ca 0.01 -1.25 0.27 0.00 -0.52 0.00 0.00 52.55 51.06 3iv8 s ASP 57 Cb -0.16 -2.20 1.35 0.00 -1.46 0.00 0.00 42.92 40.45 3iv8 s ASP 57 CO -0.05 -0.67 1.91 0.18 0.52 0.00 0.00 175.17 177.06 3iv8 n LEU 58 N 5.33 0.00 -3.36 -1.34 4.77 -1.26 -1.92 117.00 119.23 3iv8 n LEU 58 Ca -0.12 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 3iv8 n LEU 58 Cb 0.44 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3iv8 n LEU 58 CO 0.48 -0.03 -0.10 -1.58 -1.33 0.00 0.00 177.39 174.82 3iv8 s GLN 59 N -2.55 0.35 -0.15 3.23 0.74 -1.26 -4.63 119.66 115.38 3iv8 s GLN 59 Ca 0.26 0.19 -0.04 0.00 0.05 0.00 0.00 55.36 55.82 3iv8 s GLN 59 Cb 0.18 -0.53 0.08 0.00 1.10 0.00 0.00 33.01 33.83 3iv8 s GLN 59 CO 0.40 -0.87 0.26 -1.17 -0.55 0.00 0.00 175.29 173.36 3iv8 s LEU 60 N 2.48 -0.28 -0.09 3.68 2.96 -1.24 -0.07 118.68 126.13 3iv8 s LEU 60 Ca 0.10 0.36 0.16 0.00 -0.22 0.00 0.00 54.13 54.53 3iv8 s LEU 60 Cb -0.14 0.64 -0.23 0.00 0.50 0.00 0.00 46.19 46.96 3iv8 s LEU 60 CO -0.25 -0.27 0.45 0.59 -1.32 0.00 0.00 176.35 175.56 3iv8 n ASN 61 N 5.34 0.51 0.00 3.68 3.02 -0.19 -0.90 115.26 126.72 3iv8 n ASN 61 Ca -0.06 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3iv8 n ASN 61 Cb 0.50 0.44 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 3iv8 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iv8 n GLY 62 N 1.60 0.26 3.80 7.41 0.00 -1.03 -1.61 105.19 115.62 3iv8 n GLY 62 Ca -0.22 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 44.98 3iv8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv8 n GLY 64 N -0.73 -0.34 0.60 0.00 0.00 0.49 -0.74 105.19 104.47 3iv8 n GLY 64 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3iv8 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iv8 n GLY 65 N -1.59 3.36 3.73 -0.02 0.00 0.20 -4.86 105.19 106.00 3iv8 n GLY 65 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 3iv8 n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iv8 s VAL 66 N -2.68 2.90 -0.07 1.61 -7.23 0.08 -4.88 120.40 110.13 3iv8 s VAL 66 Ca 0.00 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 3iv8 s VAL 66 Cb 0.00 -2.97 0.01 0.00 0.56 0.00 0.00 36.38 33.98 3iv8 s VAL 66 CO 0.00 -0.15 -0.11 -0.04 -0.31 0.00 0.00 175.10 174.49 3iv8 s MET 67 N -3.86 1.58 0.18 4.82 1.00 -1.26 -1.04 119.30 120.72 3iv8 s MET 67 Ca 0.38 -0.37 -0.13 0.00 0.00 0.00 0.00 55.69 55.57 3iv8 s MET 67 Cb -0.02 -1.35 0.09 0.00 0.00 0.00 0.00 34.83 33.56 3iv8 s MET 67 CO 0.23 -0.00 1.84 0.35 0.00 0.00 0.00 175.02 177.43 3iv8 h PHE 68 N 7.06 0.67 -0.11 -0.03 3.57 -1.58 -2.57 116.94 123.95 3iv8 h PHE 68 Ca -0.32 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.23 3iv8 h PHE 68 Cb 1.18 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 3iv8 h PHE 68 CO 0.49 0.41 0.10 -0.91 -2.23 0.00 0.00 178.31 176.16 3iv8 h ASN 69 N 0.72 0.00 0.37 0.41 4.21 -1.82 -3.05 115.58 116.43 3iv8 h ASN 69 Ca 0.21 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.42 3iv8 h ASN 69 Cb -0.05 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.10 3iv8 h ASN 69 CO -0.06 0.00 -1.86 -0.67 -1.29 0.00 0.00 177.43 173.55 3iv8 n ASP 70 N -4.15 0.63 -3.45 5.81 2.03 -1.11 -4.59 116.55 111.72 3iv8 n ASP 70 Ca -0.00 0.30 -0.28 0.00 0.52 0.00 0.00 54.79 55.33 3iv8 n ASP 70 Cb 0.21 0.27 -0.11 0.00 -0.72 0.00 0.00 41.12 40.78 3iv8 n ASP 70 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3iv8 s GLU 71 N -2.62 0.85 -1.29 -0.67 2.56 -0.98 -5.06 118.70 111.49 3iv8 s GLU 71 Ca -0.06 -1.88 -0.17 0.00 0.00 0.00 0.00 54.97 52.86 3iv8 s GLU 71 Cb 0.08 -1.49 0.08 0.00 2.00 0.00 0.00 34.13 34.80 3iv8 s GLU 71 CO 0.83 -1.31 1.71 -0.89 -0.56 0.00 0.00 175.26 175.03 3iv8 n ILE 72 N 3.26 3.98 -3.89 -3.70 5.41 -1.19 -4.57 119.36 118.65 3iv8 n ILE 72 Ca 0.22 -4.18 -0.09 0.00 1.00 0.00 0.00 62.75 59.70 3iv8 n ILE 72 Cb 0.43 -2.37 -0.08 0.00 -0.71 0.00 0.00 39.64 36.91 3iv8 n ILE 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3iv8 s THR 73 N 3.89 0.14 0.27 1.39 -4.23 -1.26 -4.75 115.64 111.09 3iv8 s THR 73 Ca 0.53 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 3iv8 s THR 73 Cb 0.03 -1.17 0.25 0.00 1.34 0.00 0.00 72.50 72.96 3iv8 s THR 73 CO 0.07 -0.64 1.77 0.00 -0.54 0.00 0.00 174.62 175.28 3iv8 h ALA 74 N 3.15 1.36 -0.27 3.99 0.00 -1.91 -1.62 119.26 123.96 3iv8 h ALA 74 Ca -0.33 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3iv8 h ALA 74 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3iv8 h ALA 74 CO 0.54 -0.04 0.06 1.05 0.00 0.00 0.00 179.25 180.86 3iv8 h GLU 75 N 0.69 0.38 0.13 0.00 4.11 -1.94 0.41 114.58 118.36 3iv8 h GLU 75 Ca 0.48 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.85 3iv8 h GLU 75 Cb 0.67 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3iv8 h GLU 75 CO -0.35 0.36 -0.06 1.15 0.07 0.00 0.00 179.01 180.18 3iv8 h THR 76 N 0.38 0.97 -0.96 -1.06 2.02 -1.55 -0.96 112.91 111.75 3iv8 h THR 76 Ca 0.09 -0.38 0.19 0.00 0.77 0.00 0.00 66.41 67.08 3iv8 h THR 76 Cb 0.16 1.21 -0.11 0.00 -1.74 0.00 0.00 68.15 67.67 3iv8 h THR 76 CO -0.00 0.09 0.56 0.40 0.37 0.00 0.00 175.52 176.93 3iv8 h ILE 77 N -0.34 0.67 0.12 3.11 2.04 -1.22 -0.01 117.51 121.88 3iv8 h ILE 77 Ca -0.02 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3iv8 h ILE 77 Cb 0.28 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3iv8 h ILE 77 CO 0.03 0.13 -0.06 -0.78 0.00 0.00 0.00 178.15 177.47 3iv8 h ASP 78 N 0.69 -0.13 -0.47 1.72 3.58 -0.60 -0.80 116.42 120.40 3iv8 h ASP 78 Ca 0.56 -0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.93 3iv8 h ASP 78 Cb 0.90 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.92 3iv8 h ASP 78 CO -0.40 0.08 0.12 0.74 -2.88 0.00 0.00 179.24 176.90 3iv8 h THR 79 N -0.34 0.78 -0.56 2.25 2.02 -0.22 -1.95 112.91 114.89 3iv8 h THR 79 Ca -0.02 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.12 3iv8 h THR 79 Cb 0.28 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 3iv8 h THR 79 CO 0.03 0.05 0.28 0.24 0.37 0.00 0.00 175.52 176.49 3iv8 h MET 80 N 0.27 0.53 -0.95 6.66 2.86 -0.95 -1.88 114.93 121.47 3iv8 h MET 80 Ca 0.23 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.90 3iv8 h MET 80 Cb 0.28 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 3iv8 h MET 80 CO -0.28 0.35 0.62 1.25 1.06 0.00 0.00 176.91 179.91 3iv8 h HIS 81 N 0.54 1.13 -0.00 -0.22 6.17 -0.39 -0.01 115.15 122.37 3iv8 h HIS 81 Ca 0.25 0.03 -0.18 0.00 0.71 0.00 0.00 60.37 61.18 3iv8 h HIS 81 Cb 0.16 -0.37 -0.02 0.00 2.52 0.00 0.00 27.41 29.70 3iv8 h HIS 81 CO -0.10 0.61 -0.83 0.87 0.71 0.00 0.00 177.93 179.19 3iv8 h LYS 82 N 1.13 0.10 -0.23 5.26 1.57 -0.91 -2.81 116.57 120.68 3iv8 h LYS 82 Ca 0.40 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.90 3iv8 h LYS 82 Cb 0.14 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3iv8 h LYS 82 CO -0.15 0.87 -0.53 0.00 -0.57 0.00 0.00 179.45 179.07 3iv8 h ALA 83 N 1.09 0.38 -0.92 3.86 0.00 -0.75 -3.08 119.26 119.84 3iv8 h ALA 83 Ca -0.03 -0.51 0.24 0.00 0.00 0.00 0.00 54.91 54.61 3iv8 h ALA 83 Cb 1.44 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 3iv8 h ALA 83 CO 0.12 0.58 0.42 -0.91 0.00 0.00 0.00 179.25 179.46 3iv8 h ASN 84 N 0.51 0.36 -0.37 0.00 -0.26 -0.87 -0.31 115.58 114.64 3iv8 h ASN 84 Ca -0.00 0.16 0.05 0.00 -0.56 0.00 0.00 56.30 55.96 3iv8 h ASN 84 Cb 1.14 0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 38.52 3iv8 h ASN 84 CO 0.12 -0.02 0.25 -0.07 -1.06 0.00 0.00 177.43 176.65 3iv8 h LEU 85 N 0.39 0.23 -1.97 1.61 3.38 -1.40 0.13 115.31 117.69 3iv8 h LEU 85 Ca 0.59 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.56 3iv8 h LEU 85 Cb 1.16 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3iv8 h LEU 85 CO -0.54 0.15 -0.02 0.11 0.09 0.00 0.00 178.44 178.23 3iv8 h LYS 86 N 0.27 0.00 -0.00 1.13 1.57 -1.12 -2.85 116.57 115.56 3iv8 h LYS 86 Ca 0.16 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3iv8 h LYS 86 Cb 0.31 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 3iv8 h LYS 86 CO -0.03 0.02 -0.59 -1.13 -0.57 0.00 0.00 179.45 177.14 3iv8 n SER 87 N -3.13 1.60 0.00 0.86 3.41 0.29 -4.68 113.62 111.97 3iv8 n SER 87 Ca -0.01 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 3iv8 n SER 87 Cb 0.23 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3iv8 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iv8 n GLY 88 N -0.84 0.68 3.58 5.00 0.00 -0.87 -2.73 105.19 110.02 3iv8 n GLY 88 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3iv8 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv8 n THR 90 N 5.63 0.00 -3.89 0.00 -2.24 -0.63 -3.29 114.28 109.86 3iv8 n THR 90 Ca 0.01 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 3iv8 n THR 90 Cb 0.48 0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 3iv8 n THR 90 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3iv8 s SER 91 N -3.47 0.10 -0.07 3.42 0.01 -1.04 -4.52 113.70 108.13 3iv8 s SER 91 Ca 0.00 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 3iv8 s SER 91 Cb 0.13 0.24 0.11 0.00 0.21 0.00 0.00 66.02 66.71 3iv8 s SER 91 CO 0.79 -0.49 0.93 0.72 0.41 0.00 0.00 173.24 175.60 3iv8 s PHE 92 N -2.28 -0.37 -0.40 2.43 -0.12 -0.34 -1.04 117.98 115.85 3iv8 s PHE 92 Ca -0.08 0.42 -0.14 0.00 -0.05 0.00 0.00 56.93 57.08 3iv8 s PHE 92 Cb -0.03 0.50 0.02 0.00 -0.63 0.00 0.00 43.02 42.88 3iv8 s PHE 92 CO -0.03 -0.46 0.29 -0.51 -0.05 0.00 0.00 175.22 174.46 3iv8 s LEU 93 N -1.88 5.03 0.18 -1.99 1.43 -0.81 -1.76 118.68 118.89 3iv8 s LEU 93 Ca 0.02 -0.88 -0.32 0.00 -1.03 0.00 0.00 54.13 51.92 3iv8 s LEU 93 Cb -0.01 -2.14 -0.11 0.00 0.03 0.00 0.00 46.19 43.96 3iv8 s LEU 93 CO -0.04 -0.43 1.60 -2.16 0.23 0.00 0.00 176.35 175.56 3iv8 s PRO 94 N 1.67 4.19 -0.14 1.29 0.04 -1.23 -3.66 135.00 137.16 3iv8 s PRO 94 Ca 0.05 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3iv8 s PRO 94 Cb -0.19 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3iv8 s PRO 94 CO 0.10 -0.64 -0.15 0.99 0.04 0.00 0.00 177.00 177.34 3iv8 s THR 95 N 1.09 2.77 -0.22 1.26 2.01 -0.08 -1.45 115.64 121.01 3iv8 s THR 95 Ca 0.71 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 3iv8 s THR 95 Cb -0.45 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 69.91 3iv8 s THR 95 CO 0.32 0.52 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.46 3iv8 s LEU 96 N 0.61 2.86 0.85 4.42 2.96 -0.44 -4.45 118.68 125.49 3iv8 s LEU 96 Ca -0.09 -0.68 -0.10 0.00 -0.22 0.00 0.00 54.13 53.05 3iv8 s LEU 96 Cb -0.16 -1.64 0.16 0.00 0.50 0.00 0.00 46.19 45.05 3iv8 s LEU 96 CO 0.03 -0.07 1.18 0.27 -1.32 0.00 0.00 176.35 176.44 3iv8 s ILE 97 N 1.36 2.06 -0.46 6.68 -4.36 -1.26 -1.78 121.20 123.45 3iv8 s ILE 97 Ca 0.03 -0.24 -0.42 0.00 -0.26 0.00 0.00 60.65 59.76 3iv8 s ILE 97 Cb -0.15 -2.82 -0.18 0.00 1.25 0.00 0.00 42.46 40.56 3iv8 s ILE 97 CO -0.06 0.00 1.69 0.41 0.24 0.00 0.00 174.94 177.21 3iv8 n THR 98 N -3.36 0.00 -3.13 8.37 -1.04 -0.81 -4.87 114.28 109.43 3iv8 n THR 98 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3iv8 n THR 98 Cb 0.60 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 3iv8 n THR 98 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3iv8 n SER 99 N 5.11 0.00 -4.77 8.00 3.41 -1.26 -4.58 113.62 119.53 3iv8 n SER 99 Ca 0.38 -0.83 -0.31 0.00 -0.26 0.00 0.00 58.87 57.86 3iv8 n SER 99 Cb -0.05 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.00 3iv8 n SER 99 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3iv8 s SER 100 N -0.53 4.45 0.21 4.04 1.04 -1.26 -4.80 113.70 116.84 3iv8 s SER 100 Ca 0.00 1.66 -0.11 0.00 0.48 0.00 0.00 55.95 57.98 3iv8 s SER 100 Cb 0.00 -2.39 0.28 0.00 0.10 0.00 0.00 66.02 64.01 3iv8 s SER 100 CO 0.00 -2.05 1.69 0.44 0.98 0.00 0.00 173.24 174.31 3iv8 h ASP 101 N -1.14 -0.08 -0.79 7.02 3.45 -1.99 -0.61 116.42 122.28 3iv8 h ASP 101 Ca -0.45 0.12 0.06 0.00 0.43 0.00 0.00 57.03 57.19 3iv8 h ASP 101 Cb 1.24 0.18 -0.06 0.00 -0.56 0.00 0.00 39.33 40.14 3iv8 h ASP 101 CO 0.54 -0.03 0.47 -0.33 -1.57 0.00 0.00 179.24 178.32 3iv8 h GLU 102 N 0.21 0.83 -0.59 3.56 3.07 -1.99 0.11 114.58 119.79 3iv8 h GLU 102 Ca 0.31 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 3iv8 h GLU 102 Cb 0.47 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 3iv8 h GLU 102 CO -0.43 0.55 0.16 -0.91 -1.40 0.00 0.00 179.01 176.98 3iv8 h ASN 103 N 0.86 0.83 -0.43 1.42 -0.26 -1.78 -1.05 115.58 115.17 3iv8 h ASN 103 Ca 0.35 -0.15 -0.09 0.00 -0.56 0.00 0.00 56.30 55.85 3iv8 h ASN 103 Cb 0.19 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 3iv8 h ASN 103 CO -0.18 0.80 -0.06 0.24 -1.06 0.00 0.00 177.43 177.17 3iv8 h MET 104 N 0.86 0.86 -0.07 0.81 2.86 0.55 -2.00 114.93 118.81 3iv8 h MET 104 Ca 0.19 -0.27 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 3iv8 h MET 104 Cb 0.29 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3iv8 h MET 104 CO -0.00 0.90 -0.49 0.00 1.06 0.00 0.00 176.91 178.38 3iv8 h ARG 105 N 0.79 0.19 -0.31 1.72 3.08 -0.50 -2.58 114.38 116.76 3iv8 h ARG 105 Ca 0.14 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3iv8 h ARG 105 Cb 0.56 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3iv8 h ARG 105 CO 0.03 0.64 -0.01 0.37 -1.07 0.00 0.00 179.97 179.93 3iv8 h GLN 106 N 0.15 0.56 -0.12 0.04 4.15 -1.05 -2.35 115.11 116.49 3iv8 h GLN 106 Ca 0.01 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.24 3iv8 h GLN 106 Cb 0.91 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 3iv8 h GLN 106 CO 0.07 0.70 0.06 0.00 -1.93 0.00 0.00 178.83 177.73 3iv8 h ALA 107 N 0.83 0.16 -0.35 3.38 0.00 -1.32 0.18 119.26 122.14 3iv8 h ALA 107 Ca 0.09 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3iv8 h ALA 107 Cb 0.46 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 3iv8 h ALA 107 CO 0.02 -0.28 -0.18 0.82 0.00 0.00 0.00 179.25 179.63 3iv8 h ILE 108 N 0.07 0.47 -0.17 0.00 2.04 -1.49 0.30 117.51 118.72 3iv8 h ILE 108 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3iv8 h ILE 108 Cb 0.13 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3iv8 h ILE 108 CO -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.11 3iv8 h ALA 109 N 1.12 0.12 -0.97 1.87 0.00 -0.96 0.06 119.26 120.49 3iv8 h ALA 109 Ca 0.18 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3iv8 h ALA 109 Cb 0.40 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3iv8 h ALA 109 CO -0.43 -0.47 0.63 0.00 0.00 0.00 0.00 179.25 178.98 3iv8 h ALA 110 N 1.17 1.43 -0.11 0.00 0.00 0.07 0.39 119.26 122.21 3iv8 h ALA 110 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3iv8 h ALA 110 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3iv8 h ALA 110 CO -0.17 0.43 -0.04 0.00 0.00 0.00 0.00 179.25 179.47 3iv8 h ALA 111 N 1.47 0.15 -0.27 0.00 0.00 0.05 -0.78 119.26 119.88 3iv8 h ALA 111 Ca 0.41 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3iv8 h ALA 111 Cb 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3iv8 h ALA 111 CO -0.16 -0.09 -0.16 -0.09 0.00 0.00 0.00 179.25 178.75 3iv8 h ARG 112 N -0.12 -0.14 0.04 0.00 2.43 -0.17 -0.71 114.38 115.72 3iv8 h ARG 112 Ca 0.03 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3iv8 h ARG 112 Cb 0.48 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 3iv8 h ARG 112 CO 0.01 -0.09 -0.35 1.49 -1.51 0.00 0.00 179.97 179.53 3iv8 h GLU 113 N -0.14 -0.51 -0.76 0.20 4.81 -0.14 -2.14 114.58 115.91 3iv8 h GLU 113 Ca 0.14 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3iv8 h GLU 113 Cb 0.36 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3iv8 h GLU 113 CO -0.35 -0.34 0.44 -0.92 -0.73 0.00 0.00 179.01 177.10 3iv8 h TYR 114 N -0.53 1.02 0.00 0.92 3.20 -0.71 -2.91 116.97 117.97 3iv8 h TYR 114 Ca 0.05 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3iv8 h TYR 114 Cb 0.59 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 3iv8 h TYR 114 CO -0.35 0.71 -0.14 1.96 -1.64 0.00 0.00 178.16 178.70 3iv8 h GLN 115 N 1.05 0.00 0.00 1.82 4.20 -1.09 -1.33 115.11 119.76 3iv8 h GLN 115 Ca 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3iv8 h GLN 115 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3iv8 h GLN 115 CO -0.05 0.14 -0.06 0.00 -0.67 0.00 0.00 178.83 178.19 3iv8 h ALA 116 N 1.86 1.03 0.01 3.87 0.00 -1.18 -3.29 119.26 121.56 3iv8 h ALA 116 Ca -0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 54.91 54.45 3iv8 h ALA 116 Cb 0.98 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3iv8 h ALA 116 CO 0.02 0.08 -2.28 1.17 0.00 0.00 0.00 179.25 178.23 3iv8 n LYS 117 N -3.20 0.62 -5.22 0.00 4.81 -0.95 -4.97 118.16 109.25 3iv8 n LYS 117 Ca 0.00 0.27 -0.31 0.00 -0.87 0.00 0.00 58.31 57.40 3iv8 n LYS 117 Cb 0.32 -1.56 -0.17 0.00 0.02 0.00 0.00 35.03 33.64 3iv8 n LYS 117 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3iv8 s TYR 118 N -2.50 2.45 0.28 5.64 2.02 -0.54 -5.14 117.35 119.56 3iv8 s TYR 118 Ca -0.35 -0.87 0.00 0.00 -0.37 0.00 0.00 57.07 55.49 3iv8 s TYR 118 Cb 0.11 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 3iv8 s TYR 118 CO 0.57 -0.31 0.47 -1.25 -1.57 0.00 0.00 175.55 173.45 3iv8 s PRO 119 N 0.10 3.50 -1.62 -1.71 0.04 -1.26 -4.30 135.00 129.74 3iv8 s PRO 119 Ca -0.11 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.55 3iv8 s PRO 119 Cb -0.16 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.63 3iv8 s PRO 119 CO 0.06 0.28 0.00 0.09 0.04 0.00 0.00 177.00 177.47 3iv8 n ASN 120 N -1.30 -4.67 0.00 6.66 3.02 -1.26 -4.81 115.26 112.90 3iv8 n ASN 120 Ca -0.05 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 3iv8 n ASN 120 Cb 0.55 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 3iv8 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iv8 n GLN 121 N -2.48 0.00 -2.87 3.52 6.02 -1.26 -4.64 117.38 115.67 3iv8 n GLN 121 Ca -0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 3iv8 n GLN 121 Cb 0.60 -0.12 -0.04 0.00 1.02 0.00 0.00 30.24 31.70 3iv8 n GLN 121 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3iv8 s SER 122 N -2.98 7.18 0.00 1.08 0.15 -1.26 -1.20 113.70 116.67 3iv8 s SER 122 Ca 0.00 1.43 0.14 0.00 0.70 0.00 0.00 55.95 58.23 3iv8 s SER 122 Cb 0.00 -2.49 0.36 0.00 -1.71 0.00 0.00 66.02 62.18 3iv8 s SER 122 CO 0.00 -0.20 1.29 0.18 1.20 0.00 0.00 173.24 175.71 3iv8 n LEU 123 N 3.89 3.09 0.00 3.45 4.77 -0.72 -4.93 117.00 126.55 3iv8 n LEU 123 Ca 0.03 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 3iv8 n LEU 123 Cb 0.51 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3iv8 n LEU 123 CO 0.50 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 3iv8 n GLY 124 N 0.85 3.76 3.76 -0.72 0.00 -1.26 -4.48 105.19 107.10 3iv8 n GLY 124 Ca 0.14 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 3iv8 n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iv8 s LEU 125 N 0.00 3.91 -0.30 0.99 1.02 0.36 -3.51 118.68 121.16 3iv8 s LEU 125 Ca 0.00 2.49 -0.01 0.00 0.02 0.00 0.00 54.13 56.63 3iv8 s LEU 125 Cb 0.00 -4.29 0.06 0.00 0.02 0.00 0.00 46.19 41.97 3iv8 s LEU 125 CO 0.00 -1.24 0.00 -2.28 0.02 0.00 0.00 176.35 172.85 3iv8 s HIS 126 N -1.46 3.30 -0.63 0.29 5.65 -0.53 -1.13 115.29 120.78 3iv8 s HIS 126 Ca 0.68 -1.98 -0.22 0.00 0.25 0.00 0.00 55.06 53.79 3iv8 s HIS 126 Cb -0.33 -2.19 0.07 0.00 -1.18 0.00 0.00 32.58 28.95 3iv8 s HIS 126 CO 0.39 -0.83 0.92 -0.51 -0.65 0.00 0.00 174.74 174.06 3iv8 s LEU 127 N 1.22 4.50 -0.73 8.88 1.43 0.22 -1.33 118.68 132.87 3iv8 s LEU 127 Ca -0.04 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 51.91 3iv8 s LEU 127 Cb -0.20 -2.45 0.15 0.00 0.03 0.00 0.00 46.19 43.73 3iv8 s LEU 127 CO -0.02 -1.36 0.78 -0.70 0.23 0.00 0.00 176.35 175.28 3iv8 s GLU 128 N 3.82 3.33 0.00 1.70 2.12 -0.73 -0.92 118.70 128.02 3iv8 s GLU 128 Ca 0.21 -1.85 0.00 0.00 0.36 0.00 0.00 54.97 53.69 3iv8 s GLU 128 Cb -0.17 -4.45 0.00 0.00 0.26 0.00 0.00 34.13 29.77 3iv8 s GLU 128 CO 0.11 -1.47 0.00 0.41 -0.54 0.00 0.00 175.26 173.77 3iv8 n GLY 129 N 4.87 1.75 1.13 -1.50 0.00 -0.97 -1.93 105.19 108.53 3iv8 n GLY 129 Ca 0.04 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 44.19 3iv8 n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iv8 n PRO 130 N 1.57 2.48 -1.91 1.61 -0.04 -1.26 -4.62 135.00 132.82 3iv8 n PRO 130 Ca 0.00 -2.27 -0.41 0.00 -0.04 0.00 0.00 63.50 60.78 3iv8 n PRO 130 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.95 3iv8 n PRO 130 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3iv8 n TYR 131 N 1.45 2.93 -2.70 0.54 4.01 -1.25 -2.56 117.16 119.58 3iv8 n TYR 131 Ca 0.19 -2.90 0.00 0.00 -0.16 0.00 0.00 57.90 55.03 3iv8 n TYR 131 Cb 0.60 -2.19 0.00 0.00 -0.31 0.00 0.00 39.34 37.44 3iv8 n TYR 131 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3iv8 n LEU 132 N 3.97 0.00 -4.27 7.72 4.77 -1.26 -0.61 117.00 127.31 3iv8 n LEU 132 Ca 0.55 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 56.19 3iv8 n LEU 132 Cb 0.32 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.26 3iv8 n LEU 132 CO 0.82 -0.24 -0.45 0.21 -1.33 0.00 0.00 177.39 176.40 3iv8 s ASN 133 N -0.88 3.84 0.52 -1.43 3.84 -0.74 -4.73 114.94 115.37 3iv8 s ASN 133 Ca 0.00 -0.45 0.27 0.00 0.21 0.00 0.00 52.86 52.89 3iv8 s ASN 133 Cb 0.00 -1.62 1.40 0.00 -0.55 0.00 0.00 41.25 40.48 3iv8 s ASN 133 CO 0.00 0.05 1.95 1.62 -2.79 0.00 0.00 177.10 177.93 3iv8 h VAL 134 N 5.68 0.67 0.00 -5.21 3.04 -1.97 0.20 116.25 118.66 3iv8 h VAL 134 Ca -0.37 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3iv8 h VAL 134 Cb 1.17 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 3iv8 h VAL 134 CO 0.59 0.01 0.00 0.23 -1.01 0.00 0.00 177.57 177.39 3iv8 n MET 135 N -4.35 0.15 -2.25 4.17 2.81 -1.26 -2.93 117.12 113.46 3iv8 n MET 135 Ca 0.13 0.31 -0.20 0.00 -1.81 0.00 0.00 57.70 56.13 3iv8 n MET 135 Cb 0.73 -1.75 0.02 0.00 -0.71 0.00 0.00 33.22 31.51 3iv8 n MET 135 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3iv8 n LYS 136 N -2.02 3.19 0.23 0.03 4.76 0.68 -4.86 118.16 120.17 3iv8 n LYS 136 Ca 0.03 -4.09 0.14 0.00 -2.87 0.00 0.00 58.31 51.53 3iv8 n LYS 136 Cb 0.27 -2.13 0.43 0.00 -1.84 0.00 0.00 35.03 31.75 3iv8 n LYS 136 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 3iv8 h LYS 137 N 2.35 0.00 0.00 1.97 2.10 -1.54 -3.42 116.57 118.03 3iv8 h LYS 137 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 3iv8 h LYS 137 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 3iv8 h LYS 137 CO 0.68 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.54 3iv8 n GLY 138 N 0.60 2.00 0.04 0.07 0.00 -1.26 0.58 105.19 107.21 3iv8 n GLY 138 Ca 0.03 0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.53 3iv8 n GLY 138 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3iv8 n ILE 139 N 0.00 0.00 -2.19 -0.61 0.13 -1.26 -4.93 119.36 110.50 3iv8 n ILE 139 Ca 0.00 -0.02 -0.36 0.00 -1.10 0.00 0.00 62.75 61.27 3iv8 n ILE 139 Cb 0.00 -0.28 0.01 0.00 -0.84 0.00 0.00 39.64 38.53 3iv8 n ILE 139 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 3iv8 s HIS 140 N -2.72 2.63 -0.14 9.51 3.76 0.19 -4.94 115.29 123.59 3iv8 s HIS 140 Ca 0.22 1.53 -0.25 0.00 -0.15 0.00 0.00 55.06 56.41 3iv8 s HIS 140 Cb 0.19 -3.37 -0.02 0.00 1.11 0.00 0.00 32.58 30.50 3iv8 s HIS 140 CO 0.52 -1.75 0.82 0.45 -0.85 0.00 0.00 174.74 173.93 3iv8 s SER 141 N -1.63 7.00 0.61 1.40 0.15 -1.26 -4.90 113.70 115.06 3iv8 s SER 141 Ca 0.72 1.22 0.38 0.00 0.70 0.00 0.00 55.95 58.97 3iv8 s SER 141 Cb -0.27 -2.46 1.96 0.00 -1.71 0.00 0.00 66.02 63.54 3iv8 s SER 141 CO 0.30 -0.34 2.22 0.58 1.20 0.00 0.00 173.24 177.20 3iv8 h VAL 142 N 5.09 0.14 0.00 4.45 2.07 -1.95 -1.43 116.25 124.62 3iv8 h VAL 142 Ca -0.32 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 3iv8 h VAL 142 Cb 1.15 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 3iv8 h VAL 142 CO 0.82 0.02 -0.51 0.44 0.02 0.00 0.00 177.57 178.36 3iv8 h ASP 143 N 0.00 0.00 0.00 0.57 3.32 -1.99 -3.36 116.42 114.95 3iv8 h ASP 143 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3iv8 h ASP 143 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3iv8 h ASP 143 CO 0.00 0.51 -1.44 0.49 -1.72 0.00 0.00 179.24 177.08 3iv8 n PHE 144 N -3.42 0.00 -1.68 4.55 3.72 -0.60 -4.95 117.46 115.08 3iv8 n PHE 144 Ca 0.01 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.90 3iv8 n PHE 144 Cb 0.64 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 38.90 3iv8 n PHE 144 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3iv8 n ILE 145 N -1.87 0.42 -3.90 4.37 5.41 -0.83 -4.85 119.36 118.11 3iv8 n ILE 145 Ca -0.03 -0.08 -0.09 0.00 1.00 0.00 0.00 62.75 63.55 3iv8 n ILE 145 Cb 0.29 -1.64 -0.07 0.00 -0.71 0.00 0.00 39.64 37.51 3iv8 n ILE 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iv8 s ARG 146 N 3.38 1.08 0.53 0.38 1.70 -1.06 -4.99 118.95 119.97 3iv8 s ARG 146 Ca 0.92 -1.07 -0.21 0.00 -0.47 0.00 0.00 55.73 54.89 3iv8 s ARG 146 Cb -0.78 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 33.92 3iv8 s ARG 146 CO 0.53 -0.39 1.25 -2.14 -1.08 0.00 0.00 175.30 173.47 3iv8 s PRO 147 N -3.92 3.30 0.27 3.89 0.02 -1.26 -3.94 135.00 133.36 3iv8 s PRO 147 Ca 0.13 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.81 3iv8 s PRO 147 Cb 0.03 -2.22 -0.11 0.00 0.02 0.00 0.00 34.50 32.23 3iv8 s PRO 147 CO -0.04 -0.98 1.50 -1.54 -0.33 0.00 0.00 177.00 175.61 3iv8 s SER 148 N -1.27 6.54 0.04 2.53 1.04 -1.26 -4.93 113.70 116.39 3iv8 s SER 148 Ca 0.71 2.79 0.09 0.00 0.48 0.00 0.00 55.95 60.01 3iv8 s SER 148 Cb -0.34 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.13 3iv8 s SER 148 CO 0.39 -0.79 -0.25 1.51 0.98 0.00 0.00 173.24 175.08 3iv8 s ASP 149 N 0.39 3.24 0.30 7.02 -4.77 -1.26 -4.82 116.67 116.77 3iv8 s ASP 149 Ca 0.61 -0.55 0.05 0.00 -3.30 0.00 0.00 52.55 49.35 3iv8 s ASP 149 Cb -0.44 -0.34 0.77 0.00 -1.09 0.00 0.00 42.92 41.82 3iv8 s ASP 149 CO 0.46 0.27 1.69 0.44 0.70 0.00 0.00 175.17 178.72 3iv8 h ASP 150 N 4.86 0.34 0.56 2.11 3.32 -1.98 -1.00 116.42 124.62 3iv8 h ASP 150 Ca -0.46 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 3iv8 h ASP 150 Cb 1.14 0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.84 3iv8 h ASP 150 CO 0.44 -0.02 -0.27 0.74 -1.72 0.00 0.00 179.24 178.41 3iv8 h THR 151 N 0.39 0.35 -0.49 0.35 2.02 -1.99 -0.95 112.91 112.58 3iv8 h THR 151 Ca 0.58 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 3iv8 h THR 151 Cb 1.14 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3iv8 h THR 151 CO -0.55 0.04 -0.01 -0.03 0.37 0.00 0.00 175.52 175.34 3iv8 h MET 152 N -0.98 0.83 -0.53 6.66 1.85 -1.95 -0.93 114.93 119.89 3iv8 h MET 152 Ca -0.08 -0.24 0.02 0.00 -0.61 0.00 0.00 59.70 58.80 3iv8 h MET 152 Cb 0.64 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.54 3iv8 h MET 152 CO 0.13 0.84 0.31 0.82 -0.40 0.00 0.00 176.91 178.61 3iv8 h ILE 153 N 0.77 1.05 -0.43 1.77 1.08 -1.15 -0.69 117.51 119.92 3iv8 h ILE 153 Ca 0.15 -0.21 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 3iv8 h ILE 153 Cb 0.49 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 3iv8 h ILE 153 CO 0.02 0.11 0.26 0.44 -0.69 0.00 0.00 178.15 178.29 3iv8 h ASP 154 N 0.63 0.42 -0.45 1.72 3.32 -0.69 -1.26 116.42 120.10 3iv8 h ASP 154 Ca 0.21 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.35 3iv8 h ASP 154 Cb 0.02 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.40 3iv8 h ASP 154 CO -0.10 0.30 -0.10 0.74 -1.72 0.00 0.00 179.24 178.36 3iv8 h THR 155 N 0.52 0.56 -0.11 0.35 2.02 -0.51 -0.66 112.91 115.09 3iv8 h THR 155 Ca 0.17 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.38 3iv8 h THR 155 Cb 0.00 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3iv8 h THR 155 CO -0.07 0.00 -0.10 0.40 0.37 0.00 0.00 175.52 176.12 3iv8 h ILE 156 N 0.01 0.72 -0.52 3.11 2.04 -0.90 -1.62 117.51 120.35 3iv8 h ILE 156 Ca 0.22 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.14 3iv8 h ILE 156 Cb 0.33 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 3iv8 h ILE 156 CO -0.45 0.00 0.23 0.00 0.00 0.00 0.00 178.15 177.93 3iv8 h ALA 158 N 1.32 1.66 -0.54 0.00 0.00 -0.72 -2.48 119.26 118.49 3iv8 h ALA 158 Ca 0.24 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3iv8 h ALA 158 Cb 0.21 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 3iv8 h ALA 158 CO -0.21 0.08 0.15 0.09 0.00 0.00 0.00 179.25 179.37 3iv8 n ASN 159 N -4.12 3.80 0.13 0.00 3.02 -0.47 -4.69 115.26 112.93 3iv8 n ASN 159 Ca -0.03 -3.38 0.09 0.00 -0.03 0.00 0.00 54.58 51.23 3iv8 n ASN 159 Cb 0.15 -0.68 0.47 0.00 -0.61 0.00 0.00 39.78 39.12 3iv8 n ASN 159 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3iv8 n SER 160 N -0.64 0.46 0.25 6.41 3.41 -0.92 -1.49 113.62 121.10 3iv8 n SER 160 Ca 0.36 0.71 0.15 0.00 -0.26 0.00 0.00 58.87 59.83 3iv8 n SER 160 Cb 1.20 -0.77 0.45 0.00 -0.26 0.00 0.00 64.21 64.83 3iv8 n SER 160 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3iv8 h ASP 161 N 0.00 0.00 -0.25 4.04 -0.00 -1.86 -2.76 116.42 115.58 3iv8 h ASP 161 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3iv8 h ASP 161 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.36 3iv8 h ASP 161 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 179.24 180.57 3iv8 n VAL 162 N -3.06 1.02 -3.95 4.15 0.24 -0.55 -4.96 118.33 111.22 3iv8 n VAL 162 Ca 0.02 -1.01 -0.31 0.00 -2.04 0.00 0.00 64.34 61.00 3iv8 n VAL 162 Cb 0.41 0.49 -0.15 0.00 -1.47 0.00 0.00 33.84 33.12 3iv8 n VAL 162 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3iv8 s ILE 163 N -1.02 1.83 0.15 1.34 1.01 -1.04 -0.48 121.20 122.98 3iv8 s ILE 163 Ca 0.17 -1.83 -0.08 0.00 0.00 0.00 0.00 60.65 58.91 3iv8 s ILE 163 Cb 0.09 -2.25 -0.10 0.00 0.01 0.00 0.00 42.46 40.22 3iv8 s ILE 163 CO 0.11 -0.43 1.41 0.00 0.00 0.00 0.00 174.94 176.03 3iv8 h ALA 164 N 7.80 0.51 -2.37 9.38 0.00 -1.35 -3.43 119.26 129.80 3iv8 h ALA 164 Ca -0.11 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3iv8 h ALA 164 Cb 1.03 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.54 3iv8 h ALA 164 CO 0.48 0.69 -0.06 0.21 0.00 0.00 0.00 179.25 180.58 3iv8 s LYS 165 N -3.94 0.69 -0.11 0.00 2.20 -0.88 -0.24 119.74 117.46 3iv8 s LYS 165 Ca -0.09 0.64 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 3iv8 s LYS 165 Cb 0.10 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.77 3iv8 s LYS 165 CO 0.87 -0.11 -0.13 0.08 -0.36 0.00 0.00 175.35 175.70 3iv8 s VAL 166 N 0.01 1.35 -0.13 4.02 1.01 -0.42 -0.61 120.40 125.63 3iv8 s VAL 166 Ca -0.02 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 3iv8 s VAL 166 Cb -0.04 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3iv8 s VAL 166 CO 0.02 0.41 0.29 -0.89 0.00 0.00 0.00 175.10 174.93 3iv8 s THR 167 N 1.15 5.29 0.25 3.92 2.01 -0.10 0.32 115.64 128.48 3iv8 s THR 167 Ca -0.04 0.54 -0.13 0.00 0.31 0.00 0.00 61.69 62.37 3iv8 s THR 167 Cb -0.14 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 3iv8 s THR 167 CO -0.03 0.46 0.49 -1.48 -0.69 0.00 0.00 174.62 173.37 3iv8 s LEU 168 N -0.05 0.28 -0.26 4.42 0.05 -0.03 -2.30 118.68 120.79 3iv8 s LEU 168 Ca 0.17 -0.90 -0.06 0.00 0.05 0.00 0.00 54.13 53.39 3iv8 s LEU 168 Cb -0.13 1.83 -0.01 0.00 -2.05 0.00 0.00 46.19 45.83 3iv8 s LEU 168 CO 0.05 -1.15 0.05 0.00 -0.55 0.00 0.00 176.35 174.76 3iv8 s ALA 169 N -4.01 3.05 -0.22 1.48 0.00 0.22 -1.48 121.76 120.79 3iv8 s ALA 169 Ca 0.21 -1.28 0.18 0.00 0.00 0.00 0.00 51.96 51.07 3iv8 s ALA 169 Cb -0.01 -2.04 0.08 0.00 0.00 0.00 0.00 23.12 21.15 3iv8 s ALA 169 CO 0.09 -0.67 1.30 -1.00 0.00 0.00 0.00 175.76 175.47 3iv8 h PRO 170 N 8.21 0.00 -0.89 0.00 0.13 -1.89 -3.39 132.00 134.17 3iv8 h PRO 170 Ca -0.36 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.91 3iv8 h PRO 170 Cb 1.15 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 3iv8 h PRO 170 CO 0.59 0.27 -0.36 0.39 -0.23 0.00 0.00 178.00 178.67 3iv8 n GLU 171 N -3.05 -0.22 -0.32 0.86 4.71 -1.26 -2.16 120.64 119.20 3iv8 n GLU 171 Ca -0.00 1.37 0.08 0.00 -0.01 0.00 0.00 57.16 58.60 3iv8 n GLU 171 Cb 0.68 -2.04 0.21 0.00 -1.01 0.00 0.00 31.44 29.28 3iv8 n GLU 171 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3iv8 n ASN 172 N -5.30 3.10 -4.61 1.62 5.03 -1.26 -5.00 115.26 108.83 3iv8 n ASN 172 Ca 0.09 -3.12 -0.23 0.00 0.87 0.00 0.00 54.58 52.18 3iv8 n ASN 172 Cb 0.35 -0.50 -0.08 0.00 -1.02 0.00 0.00 39.78 38.53 3iv8 n ASN 172 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3iv8 s ASN 173 N -2.40 4.35 0.03 6.41 0.01 -0.92 -4.93 114.94 117.49 3iv8 s ASN 173 Ca 0.38 -0.74 -0.30 0.00 -0.71 0.00 0.00 52.86 51.49 3iv8 s ASN 173 Cb 0.32 -0.72 -0.08 0.00 0.41 0.00 0.00 41.25 41.18 3iv8 s ASN 173 CO 0.05 -0.02 1.79 -0.54 -1.51 0.00 0.00 177.10 176.88 3iv8 s LYS 174 N -3.65 4.16 0.27 -0.60 1.02 -1.26 -4.91 119.74 114.77 3iv8 s LYS 174 Ca 0.32 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.74 3iv8 s LYS 174 Cb -0.06 -3.90 0.58 0.00 -0.52 0.00 0.00 37.83 33.93 3iv8 s LYS 174 CO 0.19 -0.86 1.75 -1.35 -0.92 0.00 0.00 175.35 174.17 3iv8 h PRO 175 N 9.50 0.59 -1.12 -1.68 0.11 -1.98 -2.22 132.00 135.20 3iv8 h PRO 175 Ca -0.45 -0.04 0.32 0.00 0.11 0.00 0.00 66.00 65.95 3iv8 h PRO 175 Cb 1.21 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3iv8 h PRO 175 CO 0.94 0.39 0.80 1.05 -0.21 0.00 0.00 178.00 180.97 3iv8 h GLU 176 N 0.61 0.02 0.00 1.05 9.09 -1.98 0.19 114.58 123.56 3iv8 h GLU 176 Ca 0.49 -0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.78 3iv8 h GLU 176 Cb 0.74 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.82 3iv8 h GLU 176 CO -0.39 0.01 -0.56 0.45 0.05 0.00 0.00 179.01 178.57 3iv8 h HIS 177 N 0.02 0.00 0.07 2.06 3.86 -1.79 -1.96 115.15 117.40 3iv8 h HIS 177 Ca 0.54 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.74 3iv8 h HIS 177 Cb 2.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.58 3iv8 h HIS 177 CO -0.00 0.56 -0.03 0.82 0.86 0.00 0.00 177.93 180.14 3iv8 h ILE 178 N 0.00 1.17 -0.78 2.45 2.04 -0.74 -2.76 117.51 118.90 3iv8 h ILE 178 Ca -0.01 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.10 3iv8 h ILE 178 Cb 1.13 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 3iv8 h ILE 178 CO 0.07 0.21 0.51 -0.33 0.00 0.00 0.00 178.15 178.62 3iv8 h GLU 179 N -0.48 0.67 -0.05 2.37 5.08 -1.17 -0.45 114.58 120.55 3iv8 h GLU 179 Ca -0.01 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3iv8 h GLU 179 Cb 0.42 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3iv8 h GLU 179 CO 0.02 0.44 -0.31 0.87 -1.00 0.00 0.00 179.01 179.03 3iv8 h LYS 180 N 0.69 0.31 -0.66 2.33 1.57 -1.33 0.16 116.57 119.64 3iv8 h LYS 180 Ca 0.36 -0.26 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 3iv8 h LYS 180 Cb 0.48 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 3iv8 h LYS 180 CO -0.14 0.91 0.31 -0.07 -0.57 0.00 0.00 179.45 179.89 3iv8 h LEU 181 N -0.22 0.39 -0.37 2.94 3.38 -1.15 0.16 115.31 120.45 3iv8 h LEU 181 Ca -0.02 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3iv8 h LEU 181 Cb 0.97 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3iv8 h LEU 181 CO 0.06 0.23 -0.33 0.58 0.09 0.00 0.00 178.44 179.08 3iv8 h VAL 182 N 0.54 1.28 0.00 1.22 2.07 -0.98 -0.24 116.25 120.14 3iv8 h VAL 182 Ca 0.32 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3iv8 h VAL 182 Cb 0.34 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3iv8 h VAL 182 CO -0.26 0.50 -0.11 0.50 0.02 0.00 0.00 177.57 178.21 3iv8 h LYS 183 N 0.68 0.00 -0.14 1.57 3.64 -0.33 -0.71 116.57 121.28 3iv8 h LYS 183 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3iv8 h LYS 183 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3iv8 h LYS 183 CO 0.08 0.11 0.00 0.00 -2.27 0.00 0.00 179.45 177.37 3iv8 n ALA 184 N -2.38 2.53 -1.21 5.00 0.00 0.55 -4.91 120.51 120.08 3iv8 n ALA 184 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3iv8 n ALA 184 Cb 0.20 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3iv8 n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iv8 n GLY 185 N 1.14 0.44 3.87 0.00 0.00 -0.27 -4.83 105.19 105.54 3iv8 n GLY 185 Ca 0.17 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 3iv8 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iv8 s ILE 186 N -2.00 5.18 0.02 -0.61 1.01 -0.16 -4.95 121.20 119.69 3iv8 s ILE 186 Ca 0.00 0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.76 3iv8 s ILE 186 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3iv8 s ILE 186 CO 0.00 0.31 0.64 -0.69 0.00 0.00 0.00 174.94 175.20 3iv8 s VAL 187 N -1.37 4.84 -0.16 2.92 1.01 0.66 -4.06 120.40 124.24 3iv8 s VAL 187 Ca 0.31 1.36 -0.03 0.00 0.00 0.00 0.00 61.98 63.62 3iv8 s VAL 187 Cb -0.14 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3iv8 s VAL 187 CO 0.18 0.41 -0.05 -0.69 0.00 0.00 0.00 175.10 174.95 3iv8 s VAL 188 N -0.22 3.73 -0.06 2.92 1.01 -1.26 -1.30 120.40 125.22 3iv8 s VAL 188 Ca 0.33 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3iv8 s VAL 188 Cb -0.19 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 3iv8 s VAL 188 CO 0.19 0.48 -0.21 -0.55 0.00 0.00 0.00 175.10 175.01 3iv8 s SER 189 N 0.53 2.66 0.16 3.32 0.15 0.15 -1.92 113.70 118.75 3iv8 s SER 189 Ca -0.04 -0.45 -0.30 0.00 0.70 0.00 0.00 55.95 55.86 3iv8 s SER 189 Cb -0.14 -0.89 -0.08 0.00 -1.71 0.00 0.00 66.02 63.20 3iv8 s SER 189 CO 0.03 0.18 1.24 -0.51 1.20 0.00 0.00 173.24 175.38 3iv8 s ILE 190 N 0.09 3.55 0.00 6.45 2.07 -0.63 -0.85 121.20 131.89 3iv8 s ILE 190 Ca -0.08 1.23 -0.29 0.00 -1.41 0.00 0.00 60.65 60.10 3iv8 s ILE 190 Cb -0.14 -3.79 0.10 0.00 0.13 0.00 0.00 42.46 38.76 3iv8 s ILE 190 CO 0.04 0.16 1.00 -0.83 -1.91 0.00 0.00 174.94 173.41 3iv8 s GLY 191 N 0.47 -0.37 -1.37 1.50 0.00 -0.55 -1.32 107.32 105.68 3iv8 s GLY 191 Ca 0.56 0.85 -0.01 0.00 0.00 0.00 0.00 44.72 46.13 3iv8 s GLY 191 CO 0.35 0.26 0.56 1.42 0.00 0.00 0.00 173.10 175.68 3iv8 n HIS 192 N -0.30 -1.78 -4.82 1.90 8.25 -0.58 -3.64 115.22 114.25 3iv8 n HIS 192 Ca -0.07 0.79 -0.25 0.00 -0.26 0.00 0.00 57.72 57.94 3iv8 n HIS 192 Cb 0.61 -4.03 -0.15 0.00 1.12 0.00 0.00 29.99 27.54 3iv8 n HIS 192 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3iv8 s THR 193 N -3.81 1.44 -0.26 1.59 -1.32 -0.88 -1.80 115.64 110.60 3iv8 s THR 193 Ca 0.02 -0.82 0.13 0.00 -1.21 0.00 0.00 61.69 59.81 3iv8 s THR 193 Cb -0.01 -1.20 0.77 0.00 -1.51 0.00 0.00 72.50 70.54 3iv8 s THR 193 CO 0.85 0.37 1.73 -3.20 -2.21 0.00 0.00 174.62 172.16 3iv8 n ASN 194 N 2.52 5.23 -4.76 8.08 5.15 -1.26 -3.43 115.26 126.78 3iv8 n ASN 194 Ca -0.15 -3.05 -0.39 0.00 -0.60 0.00 0.00 54.58 50.38 3iv8 n ASN 194 Cb 0.54 -0.69 0.01 0.00 -0.53 0.00 0.00 39.78 39.11 3iv8 n ASN 194 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iv8 s ALA 195 N -2.86 3.14 0.88 5.20 0.00 -1.26 -4.91 121.76 121.96 3iv8 s ALA 195 Ca 0.54 1.33 -0.12 0.00 0.00 0.00 0.00 51.96 53.71 3iv8 s ALA 195 Cb 0.42 -3.54 0.12 0.00 0.00 0.00 0.00 23.12 20.12 3iv8 s ALA 195 CO 0.14 -1.08 1.09 0.95 0.00 0.00 0.00 175.76 176.86 3iv8 s THR 196 N -1.26 2.67 0.24 0.00 -4.23 -1.26 -3.97 115.64 107.82 3iv8 s THR 196 Ca 0.62 0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 61.23 3iv8 s THR 196 Cb -0.40 -2.77 0.32 0.00 1.34 0.00 0.00 72.50 70.99 3iv8 s THR 196 CO 0.51 -0.28 1.60 0.22 -0.54 0.00 0.00 174.62 176.13 3iv8 h TYR 197 N -1.48 -0.40 -0.48 3.99 3.20 -1.89 -1.84 116.97 118.07 3iv8 h TYR 197 Ca -0.49 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.47 3iv8 h TYR 197 Cb 1.29 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.82 3iv8 h TYR 197 CO 0.42 -0.33 0.28 0.77 -1.64 0.00 0.00 178.16 177.66 3iv8 h SER 198 N 0.00 0.44 -0.53 -2.11 0.02 -1.93 -0.34 113.55 109.10 3iv8 h SER 198 Ca 0.37 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.26 3iv8 h SER 198 Cb 0.57 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3iv8 h SER 198 CO -0.79 0.31 0.08 -0.33 -1.14 0.00 0.00 176.83 174.96 3iv8 h GLU 199 N 0.55 0.89 -0.57 3.45 5.08 -1.83 -1.33 114.58 120.83 3iv8 h GLU 199 Ca 0.20 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3iv8 h GLU 199 Cb 0.04 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3iv8 h GLU 199 CO -0.10 0.87 0.16 0.00 -1.00 0.00 0.00 179.01 178.94 3iv8 h ALA 200 N 0.98 1.21 -0.25 3.43 0.00 -1.12 -1.14 119.26 122.37 3iv8 h ALA 200 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iv8 h ALA 200 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iv8 h ALA 200 CO 0.01 0.55 0.09 0.00 0.00 0.00 0.00 179.25 179.90 3iv8 h ARG 201 N 0.84 0.39 -0.87 0.00 2.47 -0.85 -1.66 114.38 114.68 3iv8 h ARG 201 Ca 0.19 -0.08 0.13 0.00 -1.26 0.00 0.00 59.98 58.96 3iv8 h ARG 201 Cb 0.27 -0.06 -0.09 0.00 -1.65 0.00 0.00 29.97 28.45 3iv8 h ARG 201 CO -0.01 0.45 0.48 -0.22 0.56 0.00 0.00 179.97 181.24 3iv8 h LYS 202 N 0.25 0.70 0.00 0.04 3.64 -0.92 -1.40 116.57 118.88 3iv8 h LYS 202 Ca 0.08 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3iv8 h LYS 202 Cb 0.21 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3iv8 h LYS 202 CO -0.00 0.46 -0.39 0.66 -2.27 0.00 0.00 179.45 177.91 3iv8 h SER 203 N 0.72 0.00 -0.38 4.20 4.64 -0.77 -1.62 113.55 120.35 3iv8 h SER 203 Ca 0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.76 3iv8 h SER 203 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3iv8 h SER 203 CO -0.32 0.39 0.16 -0.26 -0.87 0.00 0.00 176.83 175.94 3iv8 h PHE 204 N 0.00 0.57 0.00 4.77 0.04 -0.72 -0.89 116.94 120.71 3iv8 h PHE 204 Ca -0.00 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3iv8 h PHE 204 Cb 1.16 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 3iv8 h PHE 204 CO 0.00 0.50 -0.06 0.93 -0.60 0.00 0.00 178.31 179.08 3iv8 h GLU 205 N 0.47 0.00 0.00 1.51 5.08 -0.83 -1.14 114.58 119.68 3iv8 h GLU 205 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3iv8 h GLU 205 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3iv8 h GLU 205 CO -0.01 0.06 0.00 0.77 -1.00 0.00 0.00 179.01 178.82 3iv8 h SER 206 N 0.00 0.00 0.00 1.42 0.02 -1.02 -3.47 113.55 110.50 3iv8 h SER 206 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iv8 h SER 206 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3iv8 h SER 206 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 3iv8 n GLY 207 N 1.02 1.15 3.68 -3.77 0.00 -0.43 -4.11 105.19 102.73 3iv8 n GLY 207 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 3iv8 n GLY 207 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3iv8 n ILE 208 N 0.00 0.21 -0.21 -0.61 5.41 -0.37 -4.62 119.36 119.16 3iv8 n ILE 208 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3iv8 n ILE 208 Cb 0.00 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 3iv8 n ILE 208 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3iv8 n THR 209 N 4.13 0.43 -4.04 1.39 -2.24 -0.81 -4.40 114.28 108.73 3iv8 n THR 209 Ca 0.18 -0.61 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 3iv8 n THR 209 Cb 0.31 0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 3iv8 n THR 209 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3iv8 s PHE 210 N -0.43 0.41 -0.05 4.78 5.36 -1.14 -1.08 117.98 125.83 3iv8 s PHE 210 Ca 0.00 -0.82 0.01 0.00 -0.96 0.00 0.00 56.93 55.16 3iv8 s PHE 210 Cb 0.00 -0.30 0.02 0.00 -0.34 0.00 0.00 43.02 42.40 3iv8 s PHE 210 CO 0.00 -0.29 -0.05 0.00 -1.46 0.00 0.00 175.22 173.42 3iv8 s ALA 211 N -2.78 0.73 -0.18 11.12 0.00 -0.24 -1.61 121.76 128.80 3iv8 s ALA 211 Ca -0.04 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 3iv8 s ALA 211 Cb -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3iv8 s ALA 211 CO -0.06 -0.02 0.60 0.99 0.00 0.00 0.00 175.76 177.27 3iv8 s THR 212 N 0.94 5.06 -0.46 0.00 2.01 -0.43 -0.47 115.64 122.29 3iv8 s THR 212 Ca -0.11 1.13 -0.24 0.00 0.31 0.00 0.00 61.69 62.79 3iv8 s THR 212 Cb -0.14 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.48 3iv8 s THR 212 CO 0.00 0.16 0.54 0.00 -0.69 0.00 0.00 174.62 174.63 3iv8 n HIS 213 N 4.76 -2.08 -1.54 4.92 1.44 -1.15 -4.79 115.22 116.78 3iv8 n HIS 213 Ca -0.03 0.87 -0.56 0.00 -2.01 0.00 0.00 57.72 55.99 3iv8 n HIS 213 Cb 0.50 -1.66 -0.07 0.00 0.12 0.00 0.00 29.99 28.88 3iv8 n HIS 213 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3iv8 n LEU 214 N -0.72 0.73 0.00 2.39 7.94 0.16 -1.29 117.00 126.20 3iv8 n LEU 214 Ca -0.13 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3iv8 n LEU 214 Cb 0.57 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.49 3iv8 n LEU 214 CO 0.48 -1.52 0.00 0.49 -1.11 0.00 0.00 177.39 175.73 3iv8 n PHE 215 N 1.98 0.00 -3.37 1.96 3.72 -1.26 -4.78 117.46 115.70 3iv8 n PHE 215 Ca 0.19 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.22 3iv8 n PHE 215 Cb 0.13 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.60 3iv8 n PHE 215 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3iv8 s ASN 216 N -0.24 6.55 -1.34 4.37 0.02 -0.42 -4.46 114.94 119.43 3iv8 s ASN 216 Ca 0.00 0.65 -0.06 0.00 -1.02 0.00 0.00 52.86 52.43 3iv8 s ASN 216 Cb 0.00 -2.25 0.02 0.00 0.02 0.00 0.00 41.25 39.04 3iv8 s ASN 216 CO 0.00 -0.03 1.07 0.00 0.02 0.00 0.00 177.10 178.16 3iv8 n ALA 217 N 4.03 -1.56 -3.37 0.60 0.00 -1.26 -4.65 120.51 114.29 3iv8 n ALA 217 Ca -0.08 0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 3iv8 n ALA 217 Cb 0.51 -4.24 -0.08 0.00 0.00 0.00 0.00 19.45 15.64 3iv8 n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iv8 s MET 218 N -6.07 0.80 0.05 0.00 0.23 -1.26 -1.53 119.30 111.52 3iv8 s MET 218 Ca 0.39 0.14 -0.33 0.00 -1.03 0.00 0.00 55.69 54.86 3iv8 s MET 218 Cb -0.18 0.37 -0.11 0.00 -1.53 0.00 0.00 34.83 33.38 3iv8 s MET 218 CO 0.75 -0.22 1.82 0.25 -2.03 0.00 0.00 175.02 175.60 3iv8 n THR 219 N 1.42 0.42 -1.66 3.16 -2.24 -1.22 -4.91 114.28 109.26 3iv8 n THR 219 Ca -0.19 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.21 3iv8 n THR 219 Cb 0.56 -1.96 0.20 0.00 -2.10 0.00 0.00 70.33 67.03 3iv8 n THR 219 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iv8 s PRO 220 N 3.04 0.12 -0.33 -0.78 0.04 -1.26 -2.24 135.00 133.59 3iv8 s PRO 220 Ca 0.86 -0.27 -0.23 0.00 0.04 0.00 0.00 61.00 61.40 3iv8 s PRO 220 Cb -0.58 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3iv8 s PRO 220 CO 0.43 -2.78 0.79 1.41 0.04 0.00 0.00 177.00 176.88 3iv8 s MET 221 N -5.71 3.88 0.30 4.56 -2.45 -1.21 -3.80 119.30 114.86 3iv8 s MET 221 Ca 0.72 0.48 0.08 0.00 -1.25 0.00 0.00 55.69 55.72 3iv8 s MET 221 Cb -0.06 -3.76 -0.06 0.00 1.25 0.00 0.00 34.83 32.20 3iv8 s MET 221 CO 0.54 -0.75 -0.07 0.14 1.05 0.00 0.00 175.02 175.93 3iv8 s VAL 222 N 3.03 1.84 0.25 10.11 -7.23 -0.14 -4.97 120.40 123.29 3iv8 s VAL 222 Ca 0.32 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 3iv8 s VAL 222 Cb -0.14 -2.52 0.34 0.00 0.56 0.00 0.00 36.38 34.62 3iv8 s VAL 222 CO 0.14 -0.26 1.57 1.23 -0.31 0.00 0.00 175.10 177.48 3iv8 h GLY 223 N 2.19 0.46 -1.21 2.32 0.00 -1.98 -0.72 103.07 104.13 3iv8 h GLY 223 Ca -0.41 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3iv8 h GLY 223 CO 0.68 -0.30 -0.21 0.54 0.00 0.00 0.00 176.54 177.25 3iv8 n ARG 224 N -5.54 1.63 -3.51 4.80 1.74 -1.26 -4.74 116.66 109.78 3iv8 n ARG 224 Ca 0.12 -1.27 -0.29 0.00 -0.77 0.00 0.00 57.85 55.64 3iv8 n ARG 224 Cb 0.43 -1.38 -0.14 0.00 -1.02 0.00 0.00 32.46 30.36 3iv8 n ARG 224 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3iv8 s GLU 225 N -1.94 0.34 0.52 5.56 2.56 -0.28 -4.99 118.70 120.47 3iv8 s GLU 225 Ca 0.19 -0.86 0.20 0.00 0.00 0.00 0.00 54.97 54.51 3iv8 s GLU 225 Cb 0.16 -1.22 1.37 0.00 2.00 0.00 0.00 34.13 36.44 3iv8 s GLU 225 CO 0.38 -1.10 2.13 -1.35 -0.56 0.00 0.00 175.26 174.76 3iv8 h PRO 226 N 7.84 0.00 0.00 4.30 0.11 -1.83 -0.33 132.00 142.09 3iv8 h PRO 226 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3iv8 h PRO 226 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3iv8 h PRO 226 CO 0.37 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 3iv8 n GLY 227 N -1.28 -0.26 0.25 -0.55 0.00 -1.25 -1.20 105.19 100.89 3iv8 n GLY 227 Ca -0.03 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 3iv8 n GLY 227 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iv8 h VAL 228 N 0.00 1.28 0.39 1.61 2.07 -1.58 -1.41 116.25 118.62 3iv8 h VAL 228 Ca 0.00 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 3iv8 h VAL 228 Cb 0.00 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3iv8 h VAL 228 CO 0.00 0.53 -0.43 0.58 0.02 0.00 0.00 177.57 178.27 3iv8 h VAL 229 N 0.64 0.15 -0.73 2.57 2.07 -1.62 -0.45 116.25 118.89 3iv8 h VAL 229 Ca 0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.72 3iv8 h VAL 229 Cb 1.02 0.15 -0.11 0.00 -1.52 0.00 0.00 31.29 30.83 3iv8 h VAL 229 CO 0.10 0.00 0.20 1.23 0.02 0.00 0.00 177.57 179.12 3iv8 h GLY 230 N -0.84 1.04 0.69 2.17 0.00 -1.13 -0.68 103.07 104.32 3iv8 h GLY 230 Ca -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.29 3iv8 h GLY 230 CO -0.09 -0.18 0.14 0.00 0.00 0.00 0.00 176.54 176.41 3iv8 h ALA 231 N 1.60 0.45 -0.22 3.60 0.00 -0.81 0.08 119.26 123.95 3iv8 h ALA 231 Ca 0.41 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.38 3iv8 h ALA 231 Cb 0.69 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3iv8 h ALA 231 CO -0.49 -0.24 0.10 0.82 0.00 0.00 0.00 179.25 179.44 3iv8 h ILE 232 N 0.31 0.99 -0.04 0.00 2.04 -0.14 -0.98 117.51 119.69 3iv8 h ILE 232 Ca 0.17 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.97 3iv8 h ILE 232 Cb 0.14 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3iv8 h ILE 232 CO -0.17 0.04 0.08 1.88 0.00 0.00 0.00 178.15 179.99 3iv8 h TYR 233 N 0.23 0.00 -0.16 1.37 0.99 -0.64 -2.92 116.97 115.83 3iv8 h TYR 233 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 3iv8 h TYR 233 Cb 0.03 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.76 3iv8 h TYR 233 CO -0.10 0.00 0.00 -3.47 -0.00 0.00 0.00 178.16 174.59 3iv8 n ASP 234 N -3.48 2.68 -3.96 3.88 2.03 -0.03 -4.88 116.55 112.77 3iv8 n ASP 234 Ca -0.02 -1.78 -0.31 0.00 0.52 0.00 0.00 54.79 53.20 3iv8 n ASP 234 Cb 0.17 -0.09 -0.15 0.00 -0.72 0.00 0.00 41.12 40.32 3iv8 n ASP 234 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3iv8 s THR 235 N -1.30 1.69 0.14 5.18 2.01 -0.67 -5.02 115.64 117.66 3iv8 s THR 235 Ca 0.24 -1.38 0.28 0.00 0.31 0.00 0.00 61.69 61.13 3iv8 s THR 235 Cb 0.15 -1.95 0.30 0.00 0.01 0.00 0.00 72.50 71.01 3iv8 s THR 235 CO 0.22 -0.14 1.90 1.55 -0.69 0.00 0.00 174.62 177.46 3iv8 h PRO 236 N 7.90 0.00 0.00 4.92 0.13 -1.90 -2.81 132.00 140.24 3iv8 h PRO 236 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3iv8 h PRO 236 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3iv8 h PRO 236 CO 0.43 0.13 -0.00 0.39 -0.23 0.00 0.00 178.00 178.72 3iv8 n GLU 237 N -3.29 0.07 -3.28 0.86 4.71 -1.26 -4.79 120.64 113.66 3iv8 n GLU 237 Ca 0.00 0.06 -0.39 0.00 -0.01 0.00 0.00 57.16 56.82 3iv8 n GLU 237 Cb 0.37 -1.59 -0.08 0.00 -1.01 0.00 0.00 31.44 29.14 3iv8 n GLU 237 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3iv8 s VAL 238 N -3.03 5.11 0.68 2.62 1.01 -1.06 -4.85 120.40 120.88 3iv8 s VAL 238 Ca 0.13 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.79 3iv8 s VAL 238 Cb 0.17 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3iv8 s VAL 238 CO 0.55 0.13 1.09 -0.31 0.00 0.00 0.00 175.10 176.56 3iv8 s TYR 239 N 2.05 2.76 -0.06 5.22 2.02 -0.24 -4.90 117.35 124.20 3iv8 s TYR 239 Ca 0.20 1.52 -0.03 0.00 -0.37 0.00 0.00 57.07 58.40 3iv8 s TYR 239 Cb -0.16 -3.06 0.03 0.00 -0.40 0.00 0.00 41.96 38.38 3iv8 s TYR 239 CO 0.09 -1.52 0.13 0.00 -1.57 0.00 0.00 175.55 172.68 3iv8 s ALA 240 N -2.61 -0.24 0.23 3.71 0.00 0.15 -1.08 121.76 121.92 3iv8 s ALA 240 Ca 0.63 0.61 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 3iv8 s ALA 240 Cb -0.18 -0.41 -0.08 0.00 0.00 0.00 0.00 23.12 22.45 3iv8 s ALA 240 CO 0.46 -0.14 0.74 0.20 0.00 0.00 0.00 175.76 177.02 3iv8 s GLY 241 N 1.04 2.61 -0.07 0.00 0.00 0.39 -0.97 107.32 110.32 3iv8 s GLY 241 Ca -0.08 0.18 -0.08 0.00 0.00 0.00 0.00 44.72 44.73 3iv8 s GLY 241 CO -0.05 0.54 0.23 -1.50 0.00 0.00 0.00 173.10 172.31 3iv8 s ILE 242 N -1.54 0.01 -0.25 0.90 2.07 0.34 0.39 121.20 123.13 3iv8 s ILE 242 Ca 0.44 -0.12 -0.08 0.00 -1.41 0.00 0.00 60.65 59.48 3iv8 s ILE 242 Cb -0.17 -0.36 -0.04 0.00 0.13 0.00 0.00 42.46 42.03 3iv8 s ILE 242 CO 0.21 -0.06 0.10 -0.63 -1.91 0.00 0.00 174.94 172.65 3iv8 s ILE 243 N -0.16 4.63 -0.71 2.00 1.01 -1.26 -2.96 121.20 123.75 3iv8 s ILE 243 Ca -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.59 3iv8 s ILE 243 Cb -0.03 -3.17 0.33 0.00 0.01 0.00 0.00 42.46 39.61 3iv8 s ILE 243 CO 0.01 0.33 1.20 0.00 0.00 0.00 0.00 174.94 176.47 3iv8 n ALA 244 N 4.83 5.07 0.49 9.38 0.00 -1.26 -4.17 120.51 134.85 3iv8 n ALA 244 Ca -0.16 -4.68 0.11 0.00 0.00 0.00 0.00 53.44 48.71 3iv8 n ALA 244 Cb 0.52 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 3iv8 n ALA 244 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iv8 n ASP 245 N -0.17 0.58 0.00 0.00 5.68 -1.26 -4.63 116.55 116.76 3iv8 n ASP 245 Ca 0.35 -0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 3iv8 n ASP 245 Cb 0.35 0.91 0.00 0.00 -1.14 0.00 0.00 41.12 41.25 3iv8 n ASP 245 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iv8 n GLY 246 N 1.35 0.38 0.07 6.12 0.00 -1.26 -4.88 105.19 106.96 3iv8 n GLY 246 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3iv8 n GLY 246 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iv8 n PHE 247 N -2.00 0.00 0.09 1.61 3.72 -1.26 -4.69 117.46 114.92 3iv8 n PHE 247 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 3iv8 n PHE 247 Cb 0.00 -0.59 -0.12 0.00 -0.94 0.00 0.00 39.48 37.83 3iv8 n PHE 247 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3iv8 h HIS 248 N 0.00 0.94 -3.26 1.38 3.86 -1.90 -3.46 115.15 112.71 3iv8 h HIS 248 Ca -0.33 -0.59 -0.24 0.00 -1.16 0.00 0.00 60.37 58.05 3iv8 h HIS 248 Cb 1.62 -0.08 -0.31 0.00 1.06 0.00 0.00 27.41 29.70 3iv8 h HIS 248 CO 0.01 1.43 -0.59 0.08 0.86 0.00 0.00 177.93 179.72 3iv8 s VAL 249 N -2.99 -0.04 0.29 2.45 1.01 -1.26 -4.87 120.40 114.98 3iv8 s VAL 249 Ca -0.09 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 3iv8 s VAL 249 Cb 0.06 -0.24 -0.12 0.00 0.00 0.00 0.00 36.38 36.08 3iv8 s VAL 249 CO 0.92 0.07 1.62 -0.62 0.00 0.00 0.00 175.10 177.09 3iv8 s ASP 250 N 1.08 6.34 0.41 3.32 -1.08 -1.26 -4.42 116.67 121.06 3iv8 s ASP 250 Ca -0.08 2.97 0.14 0.00 -0.52 0.00 0.00 52.55 55.06 3iv8 s ASP 250 Cb -0.11 -2.63 0.99 0.00 -1.46 0.00 0.00 42.92 39.71 3iv8 s ASP 250 CO -0.06 -0.94 1.91 1.88 0.52 0.00 0.00 175.17 178.48 3iv8 h TYR 251 N 5.04 0.56 -0.87 -5.34 0.05 -1.93 -0.12 116.97 114.36 3iv8 h TYR 251 Ca -0.47 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.37 3iv8 h TYR 251 Cb 1.22 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 38.73 3iv8 h TYR 251 CO 0.59 0.22 0.57 0.00 -1.05 0.00 0.00 178.16 178.49 3iv8 h ALA 252 N 1.64 1.48 -0.31 3.88 0.00 -1.90 -1.08 119.26 122.96 3iv8 h ALA 252 Ca 0.38 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 3iv8 h ALA 252 Cb 0.80 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3iv8 h ALA 252 CO -0.13 0.42 -0.25 -0.91 0.00 0.00 0.00 179.25 178.38 3iv8 h ASN 253 N 1.06 0.63 -0.68 0.00 2.35 -1.39 -1.79 115.58 115.75 3iv8 h ASN 253 Ca 0.35 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3iv8 h ASN 253 Cb 0.08 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3iv8 h ASN 253 CO -0.11 0.86 0.22 0.40 -1.65 0.00 0.00 177.43 177.14 3iv8 h ILE 254 N 0.54 1.25 -0.62 2.81 2.04 -0.95 -1.41 117.51 121.18 3iv8 h ILE 254 Ca 0.07 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3iv8 h ILE 254 Cb 0.72 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3iv8 h ILE 254 CO 0.06 0.34 0.40 -0.09 0.00 0.00 0.00 178.15 178.86 3iv8 h ARG 255 N 1.00 0.81 -0.47 2.37 2.43 -1.02 -1.12 114.38 118.38 3iv8 h ARG 255 Ca 0.22 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 3iv8 h ARG 255 Cb 0.30 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3iv8 h ARG 255 CO -0.01 0.54 -0.07 0.82 -1.51 0.00 0.00 179.97 179.74 3iv8 h ILE 256 N 0.83 1.27 -0.73 1.20 2.04 -1.19 -2.49 117.51 118.43 3iv8 h ILE 256 Ca 0.22 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 3iv8 h ILE 256 Cb -0.09 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3iv8 h ILE 256 CO -0.05 0.41 0.37 0.00 0.00 0.00 0.00 178.15 178.88 3iv8 h ALA 257 N 0.89 0.94 -0.64 1.87 0.00 -0.78 -1.86 119.26 119.69 3iv8 h ALA 257 Ca 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3iv8 h ALA 257 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3iv8 h ALA 257 CO 0.04 0.49 0.09 1.25 0.00 0.00 0.00 179.25 181.11 3iv8 h HIS 258 N 1.02 1.15 -0.06 0.00 -0.00 -1.16 0.74 115.15 116.84 3iv8 h HIS 258 Ca 0.25 -0.17 -0.03 0.00 -0.00 0.00 0.00 60.37 60.43 3iv8 h HIS 258 Cb 0.09 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 3iv8 h HIS 258 CO 0.00 0.98 -0.10 0.87 -0.00 0.00 0.00 177.93 179.68 3iv8 h LYS 259 N 0.99 0.08 0.05 5.26 1.57 -0.89 0.30 116.57 123.93 3iv8 h LYS 259 Ca 0.19 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 3iv8 h LYS 259 Cb 0.46 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3iv8 h LYS 259 CO 0.02 0.19 -0.54 0.82 -0.57 0.00 0.00 179.45 179.37 3iv8 h ILE 260 N 0.08 1.53 0.00 1.86 2.04 -0.97 -3.40 117.51 118.65 3iv8 h ILE 260 Ca 0.02 -2.39 -0.15 0.00 1.00 0.00 0.00 64.86 63.34 3iv8 h ILE 260 Cb 0.24 3.12 -0.03 0.00 -0.74 0.00 0.00 36.82 39.41 3iv8 h ILE 260 CO 0.01 0.61 -1.40 0.29 0.00 0.00 0.00 178.15 177.66 3iv8 n LYS 261 N -4.38 0.62 0.00 2.37 4.76 0.26 -4.97 118.16 116.81 3iv8 n LYS 261 Ca -0.15 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3iv8 n LYS 261 Cb 0.65 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3iv8 n LYS 261 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iv8 n GLY 262 N 1.38 2.55 0.00 0.72 0.00 0.10 -1.16 105.19 108.78 3iv8 n GLY 262 Ca -0.09 0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.29 3iv8 n GLY 262 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3iv8 n GLU 263 N 14.00 0.34 0.00 1.61 0.28 -1.26 -1.57 120.64 134.04 3iv8 n GLU 263 Ca 0.00 0.08 0.14 0.00 -0.16 0.00 0.00 57.16 57.22 3iv8 n GLU 263 Cb 0.00 -1.50 0.50 0.00 1.43 0.00 0.00 31.44 31.87 3iv8 n GLU 263 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3iv8 n LYS 264 N -1.16 0.75 -3.30 3.44 4.01 -0.31 -4.80 118.16 116.78 3iv8 n LYS 264 Ca 0.09 -0.35 -0.38 0.00 -0.51 0.00 0.00 58.31 57.16 3iv8 n LYS 264 Cb 0.09 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.06 3iv8 n LYS 264 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3iv8 s LEU 265 N -2.49 4.25 -0.05 -0.35 2.96 -0.61 -0.68 118.68 121.71 3iv8 s LEU 265 Ca 0.26 0.78 0.05 0.00 -0.22 0.00 0.00 54.13 55.00 3iv8 s LEU 265 Cb 0.20 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 3iv8 s LEU 265 CO 0.50 -0.04 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.60 3iv8 s VAL 266 N 0.85 1.64 -0.20 1.68 1.01 -0.14 -4.71 120.40 120.53 3iv8 s VAL 266 Ca 0.25 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 3iv8 s VAL 266 Cb -0.15 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 3iv8 s VAL 266 CO 0.10 0.47 0.97 -0.76 0.00 0.00 0.00 175.10 175.87 3iv8 s LEU 267 N -0.01 4.14 0.39 3.92 1.02 -0.62 -0.50 118.68 127.02 3iv8 s LEU 267 Ca -0.04 1.32 0.07 0.00 0.02 0.00 0.00 54.13 55.50 3iv8 s LEU 267 Cb -0.12 -3.44 -0.08 0.00 0.02 0.00 0.00 46.19 42.57 3iv8 s LEU 267 CO 0.03 -0.56 0.00 0.68 0.02 0.00 0.00 176.35 176.52 3iv8 s VAL 268 N 2.76 1.92 -0.22 -1.59 -7.23 -1.15 -4.61 120.40 110.28 3iv8 s VAL 268 Ca 0.42 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 3iv8 s VAL 268 Cb -0.16 -2.91 -0.14 0.00 0.56 0.00 0.00 36.38 33.73 3iv8 s VAL 268 CO 0.09 -0.03 -0.19 0.35 -0.31 0.00 0.00 175.10 175.01 3iv8 n THR 269 N -0.90 1.24 -3.12 5.32 -2.24 -1.25 -4.47 114.28 108.86 3iv8 n THR 269 Ca -0.05 -0.48 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 3iv8 n THR 269 Cb 0.66 -1.26 0.03 0.00 -2.10 0.00 0.00 70.33 67.66 3iv8 n THR 269 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3iv8 n ASP 270 N -3.13 -5.49 -4.86 3.42 2.03 0.90 -4.42 116.55 105.01 3iv8 n ASP 270 Ca -0.38 -0.32 -0.31 0.00 0.52 0.00 0.00 54.79 54.30 3iv8 n ASP 270 Cb 0.91 -4.45 0.03 0.00 -0.72 0.00 0.00 41.12 36.89 3iv8 n ASP 270 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iv8 s ALA 271 N -3.12 2.90 0.00 -1.67 0.00 -1.24 -1.05 121.76 117.58 3iv8 s ALA 271 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3iv8 s ALA 271 Cb -0.16 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3iv8 s ALA 271 CO 0.41 -0.99 0.00 0.25 0.00 0.00 0.00 175.76 175.43 3iv8 n THR 272 N -2.95 0.00 0.01 0.00 -2.24 0.33 -1.03 114.28 108.41 3iv8 n THR 272 Ca 0.07 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 3iv8 n THR 272 Cb 0.55 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.17 3iv8 n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iv8 h ALA 273 N 1.00 1.61 0.00 6.98 0.00 -1.69 -1.81 119.26 125.36 3iv8 h ALA 273 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iv8 h ALA 273 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3iv8 h ALA 273 CO 0.00 0.32 0.00 -2.30 0.00 0.00 0.00 179.25 177.27 3iv8 n PRO 274 N -4.41 0.13 -2.10 0.00 -0.02 -1.26 0.59 135.00 127.93 3iv8 n PRO 274 Ca 0.02 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 3iv8 n PRO 274 Cb 0.12 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3iv8 n PRO 274 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iv8 s ALA 275 N -3.28 3.08 0.00 3.55 0.00 -0.68 -1.38 121.76 123.05 3iv8 s ALA 275 Ca 0.03 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3iv8 s ALA 275 Cb 0.08 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3iv8 s ALA 275 CO 0.31 -2.29 0.00 0.41 0.00 0.00 0.00 175.76 174.19 3iv8 n GLY 276 N 5.03 0.59 3.05 0.00 0.00 -1.26 -0.38 105.19 112.23 3iv8 n GLY 276 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3iv8 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv8 s ALA 277 N -2.40 0.61 -0.33 4.61 0.00 -0.48 -4.65 121.76 119.11 3iv8 s ALA 277 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 3iv8 s ALA 277 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3iv8 s ALA 277 CO 0.00 0.03 0.56 -2.00 0.00 0.00 0.00 175.76 174.34 3iv8 s GLU 278 N -1.28 3.73 -0.04 0.00 2.12 -1.26 -4.61 118.70 117.36 3iv8 s GLU 278 Ca -0.07 0.01 -0.22 0.00 0.36 0.00 0.00 54.97 55.05 3iv8 s GLU 278 Cb -0.08 -3.78 0.04 0.00 0.26 0.00 0.00 34.13 30.57 3iv8 s GLU 278 CO 0.00 -0.62 0.48 0.00 -0.54 0.00 0.00 175.26 174.59 3iv8 s MET 279 N 2.49 0.84 0.07 4.30 0.23 -1.26 -5.05 119.30 120.91 3iv8 s MET 279 Ca 0.21 0.04 -0.09 0.00 -1.03 0.00 0.00 55.69 54.82 3iv8 s MET 279 Cb -0.15 0.38 -0.27 0.00 -1.53 0.00 0.00 34.83 33.26 3iv8 s MET 279 CO 0.13 -0.24 1.13 0.22 -2.03 0.00 0.00 175.02 174.22 3iv8 h ASP 280 N 3.55 0.64 -4.93 -1.18 3.58 -1.95 -3.41 116.42 112.72 3iv8 h ASP 280 Ca -0.28 -0.64 0.04 0.00 0.42 0.00 0.00 57.03 56.57 3iv8 h ASP 280 Cb 1.16 -0.20 -0.12 0.00 1.72 0.00 0.00 39.33 41.89 3iv8 h ASP 280 CO 0.39 1.48 0.31 -0.72 -2.88 0.00 0.00 179.24 177.81 3iv8 s TYR 281 N -2.80 -0.41 0.23 0.28 1.13 -1.26 -0.67 117.35 113.85 3iv8 s TYR 281 Ca -0.07 0.18 0.02 0.00 -1.41 0.00 0.00 57.07 55.79 3iv8 s TYR 281 Cb 0.06 0.58 -0.05 0.00 -1.10 0.00 0.00 41.96 41.45 3iv8 s TYR 281 CO 0.91 -0.82 0.05 -0.59 -2.51 0.00 0.00 175.55 172.59 3iv8 s PHE 282 N -3.57 1.48 -0.12 -3.49 -0.12 0.50 -4.95 117.98 107.71 3iv8 s PHE 282 Ca 0.04 -1.07 -0.10 0.00 -0.05 0.00 0.00 56.93 55.76 3iv8 s PHE 282 Cb -0.02 -0.87 -0.05 0.00 -0.63 0.00 0.00 43.02 41.46 3iv8 s PHE 282 CO -0.08 -0.21 0.22 0.42 -0.05 0.00 0.00 175.22 175.51 3iv8 s ILE 283 N -3.63 5.37 -0.51 -4.49 -1.09 -1.26 -0.35 121.20 115.25 3iv8 s ILE 283 Ca 0.32 0.38 0.04 0.00 -2.23 0.00 0.00 60.65 59.16 3iv8 s ILE 283 Cb 0.07 -3.51 0.17 0.00 -1.58 0.00 0.00 42.46 37.60 3iv8 s ILE 283 CO 0.10 0.54 0.39 0.12 -1.23 0.00 0.00 174.94 174.85 3iv8 s PHE 284 N -0.49 1.92 -0.82 3.97 5.99 0.60 -4.84 117.98 124.30 3iv8 s PHE 284 Ca 0.16 -2.66 -0.02 0.00 0.00 0.00 0.00 56.93 54.41 3iv8 s PHE 284 Cb -0.13 -1.52 -0.03 0.00 0.00 0.00 0.00 43.02 41.34 3iv8 s PHE 284 CO 0.05 -0.73 0.75 0.28 -0.00 0.00 0.00 175.22 175.56 3iv8 n VAL 285 N 2.58 -9.37 -1.51 3.12 0.31 -1.26 -3.12 118.33 109.08 3iv8 n VAL 285 Ca 0.26 -0.64 -0.18 0.00 -0.01 0.00 0.00 64.34 63.77 3iv8 n VAL 285 Cb 0.43 -6.61 -0.08 0.00 -0.91 0.00 0.00 33.84 26.68 3iv8 n VAL 285 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iv8 n GLY 286 N -1.54 1.68 3.41 2.92 0.00 -1.26 -4.95 105.19 105.44 3iv8 n GLY 286 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3iv8 n GLY 286 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iv8 s LYS 287 N -3.48 3.05 -0.17 1.61 2.47 -1.18 -5.11 119.74 116.92 3iv8 s LYS 287 Ca 0.00 -0.69 -0.29 0.00 -1.56 0.00 0.00 55.97 53.42 3iv8 s LYS 287 Cb 0.00 -2.53 -0.00 0.00 -1.46 0.00 0.00 37.83 33.84 3iv8 s LYS 287 CO 0.00 0.37 1.04 0.21 0.16 0.00 0.00 175.35 177.13 3iv8 s LYS 288 N -0.06 4.33 -0.16 4.03 2.20 -1.26 -0.29 119.74 128.52 3iv8 s LYS 288 Ca -0.03 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 3iv8 s LYS 288 Cb -0.14 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 3iv8 s LYS 288 CO 0.04 -0.50 -0.15 0.08 -0.36 0.00 0.00 175.35 174.46 3iv8 s VAL 289 N 2.70 2.64 -0.05 4.02 1.01 0.53 -4.49 120.40 126.76 3iv8 s VAL 289 Ca 0.47 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 3iv8 s VAL 289 Cb -0.17 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3iv8 s VAL 289 CO 0.12 0.51 0.30 -0.31 0.00 0.00 0.00 175.10 175.71 3iv8 s TYR 290 N 0.93 3.68 -0.32 5.22 1.51 0.25 -0.37 117.35 128.25 3iv8 s TYR 290 Ca -0.03 0.80 -0.27 0.00 -1.01 0.00 0.00 57.07 56.56 3iv8 s TYR 290 Cb -0.15 -2.14 0.01 0.00 -0.11 0.00 0.00 41.96 39.57 3iv8 s TYR 290 CO -0.02 0.68 0.95 -0.47 -1.11 0.00 0.00 175.55 175.59 3iv8 s TYR 291 N -1.06 3.16 -0.32 2.71 6.14 0.16 -0.03 117.35 128.12 3iv8 s TYR 291 Ca 0.20 1.00 -0.02 0.00 0.64 0.00 0.00 57.07 58.89 3iv8 s TYR 291 Cb -0.15 -3.52 0.11 0.00 0.42 0.00 0.00 41.96 38.82 3iv8 s TYR 291 CO 0.09 -0.70 0.14 1.03 0.64 0.00 0.00 175.55 176.75 3iv8 s ARG 292 N 3.38 0.50 -1.03 4.97 1.81 0.40 -4.86 118.95 124.11 3iv8 s ARG 292 Ca 0.40 -0.94 -0.15 0.00 -1.72 0.00 0.00 55.73 53.32 3iv8 s ARG 292 Cb -0.13 -1.55 -0.01 0.00 -0.45 0.00 0.00 34.95 32.82 3iv8 s ARG 292 CO 0.15 -1.05 0.76 -3.47 -0.68 0.00 0.00 175.30 171.01 3iv8 n ASP 293 N 4.81 -5.69 0.00 0.23 -0.08 -1.26 -2.20 116.55 112.37 3iv8 n ASP 293 Ca -0.01 -0.86 0.00 0.00 -1.51 0.00 0.00 54.79 52.41 3iv8 n ASP 293 Cb 0.41 -3.48 0.00 0.00 2.34 0.00 0.00 41.12 40.39 3iv8 n ASP 293 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3iv8 n GLY 294 N -1.67 2.76 3.96 0.27 0.00 -1.26 -5.01 105.19 104.24 3iv8 n GLY 294 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3iv8 n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iv8 s LYS 295 N 0.00 3.44 -0.39 1.61 1.02 -0.93 -4.57 119.74 119.92 3iv8 s LYS 295 Ca 0.00 -0.67 -0.05 0.00 0.02 0.00 0.00 55.97 55.27 3iv8 s LYS 295 Cb 0.00 -2.92 0.08 0.00 -0.52 0.00 0.00 37.83 34.48 3iv8 s LYS 295 CO 0.00 0.46 0.19 0.00 -0.92 0.00 0.00 175.35 175.08 3iv8 s VAL 297 N 1.28 1.61 0.94 0.00 -7.23 0.96 0.76 120.40 118.72 3iv8 s VAL 297 Ca 0.03 -1.42 -0.13 0.00 -1.81 0.00 0.00 61.98 58.65 3iv8 s VAL 297 Cb -0.22 -1.46 0.21 0.00 0.56 0.00 0.00 36.38 35.47 3iv8 s VAL 297 CO -0.01 -0.02 1.28 1.51 -0.31 0.00 0.00 175.10 177.54 3iv8 s ASP 298 N -1.71 3.12 0.52 4.85 3.84 -0.57 0.88 116.67 127.60 3iv8 s ASP 298 Ca 0.05 -0.02 0.38 0.00 -0.00 0.00 0.00 52.55 52.96 3iv8 s ASP 298 Cb -0.10 0.00 1.54 0.00 -1.38 0.00 0.00 42.92 42.99 3iv8 s ASP 298 CO 0.03 -2.71 1.73 -0.33 -0.00 0.00 0.00 175.17 173.90 3iv8 h GLU 299 N -1.50 0.05 -0.01 2.11 5.08 -1.91 -1.61 114.58 116.79 3iv8 h GLU 299 Ca -0.42 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3iv8 h GLU 299 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3iv8 h GLU 299 CO 0.33 0.03 -0.37 0.09 -1.00 0.00 0.00 179.01 178.09 3iv8 n ASN 300 N -4.22 1.60 0.00 1.42 5.03 -1.26 -4.94 115.26 112.89 3iv8 n ASN 300 Ca 0.31 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.51 3iv8 n ASN 300 Cb 1.42 0.32 0.00 0.00 -1.02 0.00 0.00 39.78 40.49 3iv8 n ASN 300 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3iv8 n GLY 301 N 1.38 0.73 3.74 7.41 0.00 -0.61 -5.05 105.19 112.79 3iv8 n GLY 301 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3iv8 n GLY 301 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iv8 s THR 302 N -2.30 3.41 0.33 2.61 2.01 -1.26 -4.78 115.64 115.66 3iv8 s THR 302 Ca 0.00 1.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.90 3iv8 s THR 302 Cb 0.00 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 3iv8 s THR 302 CO 0.00 0.18 1.17 -0.76 -0.69 0.00 0.00 174.62 174.53 3iv8 s LEU 303 N -0.20 4.40 -0.47 4.42 1.43 -1.26 -1.51 118.68 125.48 3iv8 s LEU 303 Ca 0.54 2.39 0.07 0.00 -1.03 0.00 0.00 54.13 56.11 3iv8 s LEU 303 Cb -0.34 -3.77 0.25 0.00 0.03 0.00 0.00 46.19 42.35 3iv8 s LEU 303 CO 0.37 -0.41 0.58 0.61 0.23 0.00 0.00 176.35 177.73 3iv8 n GLY 304 N 0.89 3.44 6.19 -3.19 0.00 0.23 -4.45 105.19 108.30 3iv8 n GLY 304 Ca 0.01 -1.94 0.02 0.00 0.00 0.00 0.00 46.02 44.11 3iv8 n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iv8 n GLY 305 N 1.30 -1.51 3.50 -0.02 0.00 -1.26 -4.81 105.19 102.40 3iv8 n GLY 305 Ca 0.24 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 3iv8 n GLY 305 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iv8 s SER 306 N -4.13 2.73 -0.15 1.61 1.04 -0.21 -4.17 113.70 110.41 3iv8 s SER 306 Ca 0.00 -1.67 0.17 0.00 0.48 0.00 0.00 55.95 54.93 3iv8 s SER 306 Cb 0.00 0.49 0.34 0.00 0.10 0.00 0.00 66.02 66.95 3iv8 s SER 306 CO 0.00 -0.93 1.19 0.00 0.98 0.00 0.00 173.24 174.48 3iv8 n ALA 307 N -0.89 2.63 -1.78 5.32 0.00 -1.26 -0.51 120.51 124.02 3iv8 n ALA 307 Ca -0.05 -2.75 -0.36 0.00 0.00 0.00 0.00 53.44 50.28 3iv8 n ALA 307 Cb 0.65 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 3iv8 n ALA 307 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3iv8 s LEU 308 N -2.96 3.95 0.28 0.00 2.96 -1.26 -4.51 118.68 117.14 3iv8 s LEU 308 Ca 0.34 2.13 0.09 0.00 -0.22 0.00 0.00 54.13 56.48 3iv8 s LEU 308 Cb 0.30 -4.37 -0.04 0.00 0.50 0.00 0.00 46.19 42.58 3iv8 s LEU 308 CO 0.01 -0.85 0.01 0.42 -1.32 0.00 0.00 176.35 174.62 3iv8 s THR 309 N -1.71 3.35 0.27 3.68 -4.23 -1.26 -4.64 115.64 111.10 3iv8 s THR 309 Ca 0.65 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 3iv8 s THR 309 Cb -0.23 -2.85 0.24 0.00 1.34 0.00 0.00 72.50 71.00 3iv8 s THR 309 CO 0.28 -0.35 1.92 0.24 -0.54 0.00 0.00 174.62 176.18 3iv8 h MET 310 N 1.85 1.15 -0.48 3.99 2.86 -1.95 -1.31 114.93 121.05 3iv8 h MET 310 Ca -0.44 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.10 3iv8 h MET 310 Cb 1.25 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 3iv8 h MET 310 CO 0.61 0.80 0.29 0.97 1.06 0.00 0.00 176.91 180.64 3iv8 h ILE 311 N 1.17 1.14 -0.80 -1.22 6.09 -1.89 -0.60 117.51 121.40 3iv8 h ILE 311 Ca 0.31 -0.31 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 3iv8 h ILE 311 Cb -0.07 0.49 -0.04 0.00 0.47 0.00 0.00 36.82 37.68 3iv8 h ILE 311 CO -0.06 0.14 0.47 -0.33 -3.07 0.00 0.00 178.15 175.30 3iv8 h GLU 312 N 0.64 1.09 -0.90 2.19 5.08 -1.80 -1.13 114.58 119.76 3iv8 h GLU 312 Ca 0.17 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3iv8 h GLU 312 Cb -0.02 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 3iv8 h GLU 312 CO -0.03 0.78 0.57 0.00 -1.00 0.00 0.00 179.01 179.33 3iv8 h ALA 313 N 1.25 1.15 -0.27 3.43 0.00 -0.76 0.11 119.26 124.17 3iv8 h ALA 313 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3iv8 h ALA 313 Cb -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3iv8 h ALA 313 CO -0.05 0.58 0.17 0.28 0.00 0.00 0.00 179.25 180.23 3iv8 h VAL 314 N 1.23 1.09 -0.24 0.00 2.07 -0.51 -2.57 116.25 117.32 3iv8 h VAL 314 Ca 0.33 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3iv8 h VAL 314 Cb -0.09 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3iv8 h VAL 314 CO -0.07 0.08 0.12 -0.61 0.02 0.00 0.00 177.57 177.11 3iv8 h GLN 315 N 0.36 0.34 0.00 1.57 4.15 -0.73 -1.74 115.11 119.06 3iv8 h GLN 315 Ca 0.10 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3iv8 h GLN 315 Cb -0.01 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 3iv8 h GLN 315 CO -0.02 0.34 -0.12 -0.91 -1.93 0.00 0.00 178.83 176.19 3iv8 h ASN 316 N 0.25 0.00 0.23 -0.69 2.35 -0.81 0.25 115.58 117.17 3iv8 h ASN 316 Ca 0.08 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.61 3iv8 h ASN 316 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3iv8 h ASN 316 CO -0.01 0.12 -0.88 0.74 -1.65 0.00 0.00 177.43 175.75 3iv8 h THR 317 N 0.00 1.37 -0.06 2.81 2.02 -1.08 0.20 112.91 118.17 3iv8 h THR 317 Ca -0.00 -2.30 -0.06 0.00 0.77 0.00 0.00 66.41 64.82 3iv8 h THR 317 Cb 0.26 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 3iv8 h THR 317 CO 0.02 0.70 -0.19 0.58 0.37 0.00 0.00 175.52 176.99 3iv8 h VAL 318 N 0.29 1.44 0.14 3.16 2.07 -0.77 -2.19 116.25 120.39 3iv8 h VAL 318 Ca -0.07 -1.58 -0.34 0.00 0.82 0.00 0.00 66.70 65.53 3iv8 h VAL 318 Cb 1.51 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 3iv8 h VAL 318 CO 0.16 0.44 -1.79 -0.33 0.02 0.00 0.00 177.57 176.07 3iv8 h GLU 319 N -0.29 0.29 0.04 1.57 5.08 -0.53 -3.18 114.58 117.56 3iv8 h GLU 319 Ca -0.01 -0.50 -0.38 0.00 -1.00 0.00 0.00 59.36 57.48 3iv8 h GLU 319 Cb 0.81 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 3iv8 h GLU 319 CO 0.04 1.24 -2.27 0.72 -1.00 0.00 0.00 179.01 177.73 3iv8 n HIS 320 N -3.64 0.47 0.12 4.33 8.25 0.64 -4.45 115.22 120.94 3iv8 n HIS 320 Ca -0.29 0.11 -0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3iv8 n HIS 320 Cb 1.01 -1.06 0.02 0.00 1.12 0.00 0.00 29.99 31.08 3iv8 n HIS 320 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3iv8 h VAL 321 N 0.02 1.15 0.00 1.59 2.07 -1.21 -3.47 116.25 116.40 3iv8 h VAL 321 Ca -0.51 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 64.51 3iv8 h VAL 321 Cb 1.98 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 34.23 3iv8 h VAL 321 CO -0.01 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.82 3iv8 n GLY 322 N 1.11 0.72 3.85 2.17 0.00 -0.94 -4.72 105.19 107.38 3iv8 n GLY 322 Ca 0.01 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 3iv8 n GLY 322 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iv8 s ILE 323 N -2.00 5.00 0.55 -0.61 1.01 -0.87 -5.01 121.20 119.27 3iv8 s ILE 323 Ca 0.00 0.70 -0.21 0.00 0.00 0.00 0.00 60.65 61.14 3iv8 s ILE 323 Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 3iv8 s ILE 323 CO 0.00 0.39 1.25 0.00 0.00 0.00 0.00 174.94 176.57 3iv8 s ALA 324 N -1.30 2.73 0.22 9.38 0.00 -1.26 -4.18 121.76 127.35 3iv8 s ALA 324 Ca 0.31 1.10 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 3iv8 s ALA 324 Cb -0.15 -3.48 0.33 0.00 0.00 0.00 0.00 23.12 19.83 3iv8 s ALA 324 CO 0.17 -1.12 1.69 1.25 0.00 0.00 0.00 175.76 177.74 3iv8 h LEU 325 N 1.34 -0.09 -1.63 0.00 5.85 -1.96 -0.14 115.31 118.68 3iv8 h LEU 325 Ca -0.50 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 3iv8 h LEU 325 Cb 1.29 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3iv8 h LEU 325 CO 0.57 -0.04 -0.19 -2.24 -0.34 0.00 0.00 178.44 176.19 3iv8 h ASP 326 N 0.21 0.00 0.17 1.25 2.03 -2.00 -1.75 116.42 116.34 3iv8 h ASP 326 Ca 0.34 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.41 3iv8 h ASP 326 Cb 0.54 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.07 3iv8 h ASP 326 CO -0.47 0.19 -1.06 -0.08 -1.03 0.00 0.00 179.24 176.79 3iv8 h GLU 327 N 0.00 0.36 -0.48 4.15 4.57 -1.74 -2.55 114.58 118.88 3iv8 h GLU 327 Ca -0.00 -0.61 0.09 0.00 -1.18 0.00 0.00 59.36 57.65 3iv8 h GLU 327 Cb 0.35 0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 29.09 3iv8 h GLU 327 CO 0.02 1.29 0.04 0.00 -1.18 0.00 0.00 179.01 179.19 3iv8 h ALA 328 N 0.09 0.49 -0.43 2.92 0.00 -0.74 -1.20 119.26 120.40 3iv8 h ALA 328 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iv8 h ALA 328 Cb 1.80 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 3iv8 h ALA 328 CO 0.18 -0.36 0.28 -0.07 0.00 0.00 0.00 179.25 179.28 3iv8 h LEU 329 N 0.16 0.50 -0.81 0.00 3.38 -1.38 -1.67 115.31 115.48 3iv8 h LEU 329 Ca 0.24 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.30 3iv8 h LEU 329 Cb 0.35 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 3iv8 h LEU 329 CO -0.37 0.38 0.44 0.03 0.09 0.00 0.00 178.44 179.01 3iv8 h ARG 330 N 0.58 0.69 0.00 1.13 3.08 -1.00 0.71 114.38 119.58 3iv8 h ARG 330 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3iv8 h ARG 330 Cb -0.05 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.85 3iv8 h ARG 330 CO -0.03 0.46 0.00 0.52 -1.07 0.00 0.00 179.97 179.84 3iv8 h MET 331 N 0.71 0.00 -0.03 0.04 2.86 -0.32 -0.97 114.93 117.22 3iv8 h MET 331 Ca 0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 3iv8 h MET 331 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3iv8 h MET 331 CO -0.29 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.68 3iv8 n ALA 332 N -1.99 2.47 -1.00 6.32 0.00 0.14 -1.59 120.51 124.85 3iv8 n ALA 332 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3iv8 n ALA 332 Cb 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3iv8 n ALA 332 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iv8 n THR 333 N 1.06 0.00 -0.07 0.00 -2.24 -0.58 -0.72 114.28 111.73 3iv8 n THR 333 Ca 0.11 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.82 3iv8 n THR 333 Cb 0.47 -0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 3iv8 n THR 333 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3iv8 h LEU 334 N 0.00 -0.29 -0.18 3.22 5.85 -1.39 -1.58 115.31 120.94 3iv8 h LEU 334 Ca 0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3iv8 h LEU 334 Cb 0.00 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3iv8 h LEU 334 CO 0.00 -0.11 0.06 1.88 -0.34 0.00 0.00 178.44 179.93 3iv8 h TYR 335 N -0.02 0.29 -0.57 1.25 0.05 -1.49 0.18 116.97 116.66 3iv8 h TYR 335 Ca 0.14 -0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.96 3iv8 h TYR 335 Cb 0.22 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 37.82 3iv8 h TYR 335 CO -0.28 0.38 0.26 -1.35 -1.05 0.00 0.00 178.16 176.11 3iv8 h PRO 336 N 0.11 0.46 0.12 4.88 0.10 -1.75 0.06 132.00 135.98 3iv8 h PRO 336 Ca 0.06 -0.03 0.02 0.00 0.10 0.00 0.00 66.00 66.15 3iv8 h PRO 336 Cb 0.22 -0.10 -0.03 0.00 0.10 0.00 0.00 31.00 31.19 3iv8 h PRO 336 CO -0.00 0.31 -0.24 0.00 0.10 0.00 0.00 178.00 178.16 3iv8 h ALA 337 N 1.35 -0.41 -0.67 -0.75 0.00 -1.03 -2.24 119.26 115.51 3iv8 h ALA 337 Ca 0.27 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.29 3iv8 h ALA 337 Cb 0.25 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 3iv8 h ALA 337 CO -0.23 -0.78 0.08 0.87 0.00 0.00 0.00 179.25 179.20 3iv8 h LYS 338 N -0.44 0.18 0.00 0.00 1.57 -0.39 -1.80 116.57 115.68 3iv8 h LYS 338 Ca 0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3iv8 h LYS 338 Cb 0.47 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3iv8 h LYS 338 CO -0.14 0.12 -0.08 0.00 -0.57 0.00 0.00 179.45 178.78 3iv8 h ALA 339 N 1.58 1.82 -0.39 3.86 0.00 -0.52 -2.37 119.26 123.24 3iv8 h ALA 339 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3iv8 h ALA 339 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3iv8 h ALA 339 CO -0.52 0.10 0.00 0.44 0.00 0.00 0.00 179.25 179.27 3iv8 n ILE 340 N -4.37 0.73 -3.02 0.00 -5.35 -0.89 -4.98 119.36 101.48 3iv8 n ILE 340 Ca -0.03 -0.87 -0.12 0.00 -0.27 0.00 0.00 62.75 61.47 3iv8 n ILE 340 Cb 0.16 0.73 0.04 0.00 -1.74 0.00 0.00 39.64 38.83 3iv8 n ILE 340 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iv8 n GLY 341 N 1.00 0.11 0.03 3.28 0.00 -0.73 -4.94 105.19 103.94 3iv8 n GLY 341 Ca 0.15 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.03 3iv8 n GLY 341 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iv8 n VAL 342 N -3.58 1.10 0.67 1.61 0.24 -0.87 -4.82 118.33 112.69 3iv8 n VAL 342 Ca -0.03 -1.20 0.09 0.00 -2.04 0.00 0.00 64.34 61.16 3iv8 n VAL 342 Cb 0.55 0.36 0.41 0.00 -1.47 0.00 0.00 33.84 33.68 3iv8 n VAL 342 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3iv8 n ASP 343 N -0.68 0.00 0.10 -1.34 5.68 -1.21 -1.11 116.55 117.99 3iv8 n ASP 343 Ca 0.04 0.47 0.13 0.00 -0.50 0.00 0.00 54.79 54.93 3iv8 n ASP 343 Cb 0.38 -0.49 0.34 0.00 -1.14 0.00 0.00 41.12 40.22 3iv8 n ASP 343 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3iv8 h GLU 344 N 0.00 0.00 0.00 0.11 9.09 -1.91 -3.37 114.58 118.49 3iv8 h GLU 344 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3iv8 h GLU 344 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 3iv8 h GLU 344 CO 0.00 0.00 -0.92 0.36 0.05 0.00 0.00 179.01 178.50 3iv8 n LYS 345 N -2.26 1.84 -4.38 1.06 2.85 -0.27 -4.77 118.16 112.22 3iv8 n LYS 345 Ca 0.05 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.11 3iv8 n LYS 345 Cb 0.44 -0.96 -0.10 0.00 -0.65 0.00 0.00 35.03 33.75 3iv8 n LYS 345 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3iv8 s LEU 346 N -3.20 2.52 0.00 -5.58 1.43 -0.26 -1.32 118.68 112.27 3iv8 s LEU 346 Ca 0.00 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 3iv8 s LEU 346 Cb 0.00 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.55 3iv8 s LEU 346 CO 0.00 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.96 3iv8 n GLY 347 N -0.46 0.07 3.11 -3.19 0.00 -1.26 -4.22 105.19 99.24 3iv8 n GLY 347 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 3iv8 n GLY 347 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iv8 s ARG 348 N -0.98 0.68 -0.75 1.61 0.52 -1.26 -3.14 118.95 115.63 3iv8 s ARG 348 Ca 0.00 -1.06 -0.17 0.00 -0.52 0.00 0.00 55.73 53.98 3iv8 s ARG 348 Cb 0.00 -0.22 0.15 0.00 0.52 0.00 0.00 34.95 35.40 3iv8 s ARG 348 CO 0.00 0.01 0.83 0.42 0.02 0.00 0.00 175.30 176.57 3iv8 s ILE 349 N -2.58 5.07 0.16 1.52 1.01 -0.17 -4.86 121.20 121.36 3iv8 s ILE 349 Ca 0.01 -1.65 -0.17 0.00 0.00 0.00 0.00 60.65 58.84 3iv8 s ILE 349 Cb -0.02 -4.55 0.03 0.00 0.01 0.00 0.00 42.46 37.93 3iv8 s ILE 349 CO -0.03 -1.18 0.48 -1.59 0.00 0.00 0.00 174.94 172.62 3iv8 s LYS 350 N 1.83 1.25 0.38 2.79 -2.85 -1.26 -4.82 119.74 117.05 3iv8 s LYS 350 Ca 0.19 -0.77 -0.27 0.00 -1.00 0.00 0.00 55.97 54.12 3iv8 s LYS 350 Cb -0.15 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.03 3iv8 s LYS 350 CO -0.03 -0.51 1.33 -1.59 0.10 0.00 0.00 175.35 174.65 3iv8 s LYS 351 N -3.84 4.10 0.00 1.78 0.00 -1.26 -2.22 119.74 118.30 3iv8 s LYS 351 Ca 0.06 2.24 0.00 0.00 0.00 0.00 0.00 55.97 58.27 3iv8 s LYS 351 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 37.83 34.95 3iv8 s LYS 351 CO -0.07 -0.42 0.00 0.41 0.00 0.00 0.00 175.35 175.27 3iv8 n GLY 352 N 0.68 2.90 3.90 0.59 0.00 -0.50 -5.00 105.19 107.75 3iv8 n GLY 352 Ca 0.02 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3iv8 n GLY 352 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iv8 s MET 353 N 0.00 2.26 0.11 1.61 -1.94 -0.94 -4.76 119.30 115.64 3iv8 s MET 353 Ca 0.00 0.19 -0.30 0.00 -1.71 0.00 0.00 55.69 53.87 3iv8 s MET 353 Cb 0.00 -1.99 -0.06 0.00 2.01 0.00 0.00 34.83 34.79 3iv8 s MET 353 CO 0.00 -1.39 1.09 0.42 -0.01 0.00 0.00 175.02 175.13 3iv8 s ILE 354 N -3.48 4.17 -1.10 2.53 1.09 -0.43 -0.78 121.20 123.18 3iv8 s ILE 354 Ca 0.61 1.71 -0.21 0.00 -1.10 0.00 0.00 60.65 61.66 3iv8 s ILE 354 Cb -0.11 -4.09 -0.07 0.00 -1.06 0.00 0.00 42.46 37.13 3iv8 s ILE 354 CO 0.49 0.22 1.93 0.00 -0.10 0.00 0.00 174.94 177.48 3iv8 n ALA 355 N 3.10 2.98 -3.90 9.38 0.00 0.71 -4.72 120.51 128.05 3iv8 n ALA 355 Ca 0.05 -3.35 -0.33 0.00 0.00 0.00 0.00 53.44 49.81 3iv8 n ALA 355 Cb 0.47 -3.56 -0.14 0.00 0.00 0.00 0.00 19.45 16.23 3iv8 n ALA 355 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3iv8 s ASN 356 N 5.28 4.92 0.14 0.00 -0.87 -1.26 -1.87 114.94 121.27 3iv8 s ASN 356 Ca 0.60 -1.96 0.04 0.00 -1.57 0.00 0.00 52.86 49.97 3iv8 s ASN 356 Cb 0.06 -1.70 -0.04 0.00 -0.02 0.00 0.00 41.25 39.55 3iv8 s ASN 356 CO 0.10 -0.41 -0.08 -0.76 -2.57 0.00 0.00 177.10 173.38 3iv8 s LEU 357 N 1.03 2.50 -0.03 0.60 2.01 -0.40 0.96 118.68 125.35 3iv8 s LEU 357 Ca 0.07 -1.02 0.03 0.00 0.01 0.00 0.00 54.13 53.21 3iv8 s LEU 357 Cb -0.20 -0.26 0.00 0.00 0.01 0.00 0.00 46.19 45.74 3iv8 s LEU 357 CO -0.06 -0.38 -0.10 -0.89 1.01 0.00 0.00 176.35 175.92 3iv8 s THR 358 N -3.43 0.91 -0.10 5.49 2.01 0.23 -0.24 115.64 120.51 3iv8 s THR 358 Ca 0.16 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.75 3iv8 s THR 358 Cb 0.04 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3iv8 s THR 358 CO -0.01 0.28 -0.12 0.54 -0.69 0.00 0.00 174.62 174.63 3iv8 s VAL 359 N 0.27 3.17 -0.07 3.82 0.11 0.24 -1.51 120.40 126.43 3iv8 s VAL 359 Ca -0.05 -0.65 -0.06 0.00 -2.93 0.00 0.00 61.98 58.29 3iv8 s VAL 359 Cb -0.10 -2.30 0.02 0.00 -1.53 0.00 0.00 36.38 32.47 3iv8 s VAL 359 CO 0.01 0.55 0.18 0.72 -3.33 0.00 0.00 175.10 173.24 3iv8 s PHE 360 N -0.14 -0.20 1.02 1.54 -0.12 -0.29 -0.76 117.98 119.02 3iv8 s PHE 360 Ca -0.00 0.48 -0.16 0.00 -0.05 0.00 0.00 56.93 57.20 3iv8 s PHE 360 Cb -0.13 0.07 0.20 0.00 -0.63 0.00 0.00 43.02 42.53 3iv8 s PHE 360 CO 0.03 -0.10 1.18 0.16 -0.05 0.00 0.00 175.22 176.44 3iv8 s ASP 361 N 0.08 2.55 0.67 1.98 1.47 -0.03 -0.03 116.67 123.36 3iv8 s ASP 361 Ca -0.00 0.67 0.43 0.00 1.18 0.00 0.00 52.55 54.83 3iv8 s ASP 361 Cb -0.01 -1.00 2.35 0.00 -0.34 0.00 0.00 42.92 43.92 3iv8 s ASP 361 CO 0.00 -3.12 2.33 0.08 0.68 0.00 0.00 175.17 175.14 3iv8 h ARG 362 N -1.90 0.00 -0.60 2.11 0.11 -1.92 -0.68 114.38 111.50 3iv8 h ARG 362 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 3iv8 h ARG 362 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3iv8 h ARG 362 CO 0.46 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.28 3iv8 n ASP 363 N -3.08 3.28 -3.52 0.08 8.00 -1.26 -4.92 116.55 115.13 3iv8 n ASP 363 Ca -0.03 -2.04 -0.20 0.00 0.71 0.00 0.00 54.79 53.22 3iv8 n ASP 363 Cb 0.10 -0.41 0.08 0.00 -0.02 0.00 0.00 41.12 40.87 3iv8 n ASP 363 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3iv8 n PHE 364 N 1.20 -2.45 -3.61 1.24 3.72 -0.26 -5.02 117.46 112.28 3iv8 n PHE 364 Ca 0.20 0.96 -0.36 0.00 -0.05 0.00 0.00 57.45 58.20 3iv8 n PHE 364 Cb 0.53 -5.01 -0.08 0.00 -0.94 0.00 0.00 39.48 33.98 3iv8 n PHE 364 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3iv8 s ASN 365 N -3.93 6.27 -0.19 4.37 0.01 -1.25 -4.90 114.94 115.31 3iv8 s ASN 365 Ca 0.25 0.30 -0.29 0.00 -0.71 0.00 0.00 52.86 52.40 3iv8 s ASN 365 Cb -0.11 -2.14 -0.00 0.00 0.41 0.00 0.00 41.25 39.41 3iv8 s ASN 365 CO 0.74 0.08 1.17 -0.69 -1.51 0.00 0.00 177.10 176.89 3iv8 s VAL 366 N 0.76 4.44 -0.12 1.60 1.01 -1.26 -0.85 120.40 125.99 3iv8 s VAL 366 Ca 0.12 1.74 0.20 0.00 0.00 0.00 0.00 61.98 64.04 3iv8 s VAL 366 Cb -0.13 -4.13 -0.28 0.00 0.00 0.00 0.00 36.38 31.84 3iv8 s VAL 366 CO 0.03 -0.15 0.32 0.29 0.00 0.00 0.00 175.10 175.59 3iv8 n LYS 367 N 6.49 0.67 -3.59 2.72 4.76 0.06 -4.83 118.16 124.43 3iv8 n LYS 367 Ca 0.13 -0.08 -0.04 0.00 -2.87 0.00 0.00 58.31 55.45 3iv8 n LYS 367 Cb 0.45 -1.54 -0.02 0.00 -1.84 0.00 0.00 35.03 32.08 3iv8 n LYS 367 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3iv8 s ALA 368 N -3.01 -2.03 0.19 7.82 0.00 -1.19 -1.49 121.76 122.05 3iv8 s ALA 368 Ca -0.08 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.16 3iv8 s ALA 368 Cb 0.10 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3iv8 s ALA 368 CO 0.87 -0.73 -0.08 0.95 0.00 0.00 0.00 175.76 176.78 3iv8 s THR 369 N -2.60 1.27 -0.08 0.00 -4.23 -0.87 -0.59 115.64 108.53 3iv8 s THR 369 Ca 0.10 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 3iv8 s THR 369 Cb 0.00 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 3iv8 s THR 369 CO -0.05 -0.55 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.60 3iv8 s VAL 370 N -3.27 2.61 -0.07 2.29 1.01 0.66 -1.18 120.40 122.46 3iv8 s VAL 370 Ca 0.22 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3iv8 s VAL 370 Cb 0.03 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.41 3iv8 s VAL 370 CO 0.05 0.56 -0.00 -0.69 0.00 0.00 0.00 175.10 175.02 3iv8 s VAL 371 N -0.08 0.37 -1.58 2.92 1.01 -0.06 -1.27 120.40 121.71 3iv8 s VAL 371 Ca -0.04 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 3iv8 s VAL 371 Cb -0.14 -0.52 0.07 0.00 0.00 0.00 0.00 36.38 35.79 3iv8 s VAL 371 CO 0.04 0.25 0.39 0.59 0.00 0.00 0.00 175.10 176.38 3iv8 n ASN 372 N 5.04 -0.77 0.00 3.32 3.02 -1.13 -1.19 115.26 123.54 3iv8 n ASN 372 Ca -0.09 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3iv8 n ASN 372 Cb 0.50 -2.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 3iv8 n ASN 372 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iv8 n GLY 373 N -1.92 2.98 3.65 7.41 0.00 -0.78 -4.05 105.19 112.47 3iv8 n GLY 373 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3iv8 n GLY 373 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iv8 s GLN 374 N -0.12 4.12 -0.22 1.61 2.00 -0.34 -4.96 119.66 121.76 3iv8 s GLN 374 Ca 0.00 1.40 -0.19 0.00 -2.00 0.00 0.00 55.36 54.57 3iv8 s GLN 374 Cb 0.00 -3.77 -0.03 0.00 0.80 0.00 0.00 33.01 30.01 3iv8 s GLN 374 CO 0.00 -0.85 0.56 -0.47 -0.50 0.00 0.00 175.29 174.03 3iv8 s TYR 375 N 3.74 3.34 -0.07 1.67 6.14 -1.26 -0.88 117.35 130.03 3iv8 s TYR 375 Ca 0.52 0.79 -0.00 0.00 0.64 0.00 0.00 57.07 59.02 3iv8 s TYR 375 Cb -0.18 -2.73 0.02 0.00 0.42 0.00 0.00 41.96 39.50 3iv8 s TYR 375 CO 0.16 -0.18 -0.03 -1.21 0.64 0.00 0.00 175.55 174.93 3iv8 s GLU 376 N 1.92 0.85 0.60 4.97 0.41 -0.33 -5.01 118.70 122.11 3iv8 s GLU 376 Ca 0.25 -0.03 -0.15 0.00 -0.41 0.00 0.00 54.97 54.63 3iv8 s GLU 376 Cb -0.16 -1.03 -0.04 0.00 -1.78 0.00 0.00 34.13 31.12 3iv8 s GLU 376 CO 0.10 -0.22 1.04 -1.14 -0.49 0.00 0.00 175.26 174.55 3iv8 s GLN 377 N 1.55 3.39 0.00 1.61 0.74 -1.26 -2.05 119.66 123.64 3iv8 s GLN 377 Ca -0.01 1.10 0.30 0.00 0.05 0.00 0.00 55.36 56.81 3iv8 s GLN 377 Cb -0.13 -2.05 1.57 0.00 1.10 0.00 0.00 33.01 33.50 3iv8 s GLN 377 CO -0.04 -0.75 2.04 0.09 -0.55 0.00 0.00 175.29 176.08