#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia2 s THR 2 N 0.00 0.14 0.07 0.44 -4.23 -1.26 -0.82 115.64 109.98 3ia2 s THR 2 Ca 0.00 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3ia2 s THR 2 Cb 0.00 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 3ia2 s THR 2 CO 0.00 -0.62 -0.04 0.72 -0.54 0.00 0.00 174.62 174.13 3ia2 s PHE 3 N -2.47 0.65 -0.24 3.99 -0.12 -0.89 -4.98 117.98 113.91 3ia2 s PHE 3 Ca -0.06 -0.97 -0.08 0.00 -0.05 0.00 0.00 56.93 55.76 3ia2 s PHE 3 Cb -0.02 -0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 3ia2 s PHE 3 CO -0.04 -0.28 0.10 0.08 -0.05 0.00 0.00 175.22 175.03 3ia2 s VAL 4 N -3.63 4.67 1.01 -2.49 1.01 -1.26 -0.98 120.40 118.74 3ia2 s VAL 4 Ca 0.07 -0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 3ia2 s VAL 4 Cb 0.06 -3.18 0.19 0.00 0.00 0.00 0.00 36.38 33.45 3ia2 s VAL 4 CO -0.07 0.34 1.11 0.00 0.00 0.00 0.00 175.10 176.47 3ia2 s ALA 5 N 1.42 1.08 0.26 5.51 0.00 0.89 -4.88 121.76 126.04 3ia2 s ALA 5 Ca 0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 3ia2 s ALA 5 Cb -0.15 -3.06 0.52 0.00 0.00 0.00 0.00 23.12 20.43 3ia2 s ALA 5 CO 0.05 -2.83 1.79 -0.22 0.00 0.00 0.00 175.76 174.55 3ia2 h LYS 6 N -1.91 0.72 -0.15 0.00 3.64 -1.96 -0.97 116.57 115.95 3ia2 h LYS 6 Ca -0.53 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3ia2 h LYS 6 Cb 1.33 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3ia2 h LYS 6 CO 0.56 0.48 0.00 -0.40 -2.27 0.00 0.00 179.45 177.82 3ia2 n ASP 7 N -4.78 1.00 0.00 4.20 5.68 -1.26 -4.86 116.55 116.52 3ia2 n ASP 7 Ca 0.17 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3ia2 n ASP 7 Cb 0.39 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3ia2 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ia2 n GLY 8 N 0.89 0.37 3.68 6.12 0.00 -0.37 -5.05 105.19 110.84 3ia2 n GLY 8 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3ia2 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ia2 s THR 9 N -2.12 3.28 -0.16 2.61 2.01 -1.26 -4.67 115.64 115.33 3ia2 s THR 9 Ca 0.00 0.66 -0.25 0.00 0.31 0.00 0.00 61.69 62.41 3ia2 s THR 9 Cb 0.00 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 3ia2 s THR 9 CO 0.00 -0.01 0.79 -1.58 -0.69 0.00 0.00 174.62 173.13 3ia2 s GLN 10 N 2.81 4.30 -0.13 4.92 0.74 -1.26 -0.07 119.66 130.97 3ia2 s GLN 10 Ca 0.72 0.95 0.00 0.00 0.05 0.00 0.00 55.36 57.08 3ia2 s GLN 10 Cb -0.37 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.16 3ia2 s GLN 10 CO 0.31 -0.28 -0.14 0.42 -0.55 0.00 0.00 175.29 175.05 3ia2 s ILE 11 N 1.99 2.97 0.15 -2.34 1.01 -0.15 -0.98 121.20 123.85 3ia2 s ILE 11 Ca 0.37 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 3ia2 s ILE 11 Cb -0.17 -2.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.99 3ia2 s ILE 11 CO 0.13 0.53 0.69 -0.47 0.00 0.00 0.00 174.94 175.81 3ia2 s TYR 12 N 0.35 3.81 0.10 3.97 5.04 -1.26 -2.09 117.35 127.27 3ia2 s TYR 12 Ca -0.12 1.45 -0.12 0.00 -2.44 0.00 0.00 57.07 55.84 3ia2 s TYR 12 Cb -0.16 -2.63 0.01 0.00 0.35 0.00 0.00 41.96 39.53 3ia2 s TYR 12 CO 0.06 0.50 0.28 -0.59 -1.34 0.00 0.00 175.55 174.46 3ia2 s PHE 13 N -1.23 -0.00 -0.02 4.97 -0.71 0.00 -0.74 117.98 120.25 3ia2 s PHE 13 Ca 0.35 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 55.91 3ia2 s PHE 13 Cb -0.20 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.65 3ia2 s PHE 13 CO 0.23 -0.61 -0.13 0.15 -1.34 0.00 0.00 175.22 173.52 3ia2 s LYS 14 N -3.80 2.44 -0.29 1.99 1.02 0.44 -1.05 119.74 120.50 3ia2 s LYS 14 Ca 0.04 -0.75 -0.02 0.00 0.02 0.00 0.00 55.97 55.26 3ia2 s LYS 14 Cb 0.03 -2.38 0.09 0.00 -0.52 0.00 0.00 37.83 35.06 3ia2 s LYS 14 CO -0.11 0.61 0.09 0.34 -0.92 0.00 0.00 175.35 175.36 3ia2 s ASP 15 N -1.01 3.76 -0.05 2.83 -1.08 -1.26 -1.80 116.67 118.05 3ia2 s ASP 15 Ca 0.13 -1.44 0.03 0.00 -0.52 0.00 0.00 52.55 50.76 3ia2 s ASP 15 Cb -0.11 -0.73 -0.02 0.00 -1.46 0.00 0.00 42.92 40.60 3ia2 s ASP 15 CO 0.03 -0.40 -0.14 0.26 0.52 0.00 0.00 175.17 175.43 3ia2 s TRP 16 N 1.75 2.70 0.00 -5.34 0.51 0.29 -4.98 118.94 113.86 3ia2 s TRP 16 Ca 0.08 -0.19 0.00 0.00 -2.12 0.00 0.00 56.10 53.86 3ia2 s TRP 16 Cb -0.17 -1.64 0.00 0.00 -0.81 0.00 0.00 33.47 30.85 3ia2 s TRP 16 CO -0.25 0.16 0.00 0.41 -0.51 0.00 0.00 176.95 176.76 3ia2 n GLY 17 N 2.38 -1.60 3.18 0.98 0.00 -1.26 -0.77 105.19 108.10 3ia2 n GLY 17 Ca -0.17 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 3ia2 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ia2 s SER 18 N -4.00 0.26 0.00 1.61 1.04 -1.25 -4.71 113.70 106.65 3ia2 s SER 18 Ca 0.00 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.52 3ia2 s SER 18 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3ia2 s SER 18 CO 0.00 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.11 3ia2 n GLY 19 N -0.04 -0.05 3.76 7.32 0.00 -1.26 -2.91 105.19 112.01 3ia2 n GLY 19 Ca -0.12 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 3ia2 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ia2 s LYS 20 N 0.00 4.20 0.23 1.61 1.02 -1.26 -4.15 119.74 121.39 3ia2 s LYS 20 Ca 0.00 2.43 -0.24 0.00 0.02 0.00 0.00 55.97 58.17 3ia2 s LYS 20 Cb 0.00 -3.04 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 3ia2 s LYS 20 CO 0.00 -0.46 0.82 -1.25 -0.92 0.00 0.00 175.35 173.54 3ia2 s PRO 21 N -1.10 4.52 -0.14 -1.68 0.04 -1.26 -1.77 135.00 133.61 3ia2 s PRO 21 Ca 0.57 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3ia2 s PRO 21 Cb -0.44 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.07 3ia2 s PRO 21 CO 0.51 0.45 -0.13 0.08 0.04 0.00 0.00 177.00 177.96 3ia2 s VAL 22 N -1.36 1.46 -0.20 -0.36 1.01 0.12 -1.63 120.40 119.44 3ia2 s VAL 22 Ca 0.42 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3ia2 s VAL 22 Cb -0.21 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3ia2 s VAL 22 CO 0.25 0.43 -0.02 -0.22 0.00 0.00 0.00 175.10 175.54 3ia2 s LEU 23 N 1.53 3.11 -0.13 3.92 0.20 -0.27 -0.55 118.68 126.50 3ia2 s LEU 23 Ca 0.05 -0.26 -0.05 0.00 0.69 0.00 0.00 54.13 54.55 3ia2 s LEU 23 Cb -0.13 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 3ia2 s LEU 23 CO -0.10 0.05 0.06 -0.36 -0.29 0.00 0.00 176.35 175.71 3ia2 s PHE 24 N 1.06 3.31 -0.23 5.38 0.40 0.74 -0.89 117.98 127.76 3ia2 s PHE 24 Ca 0.01 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 3ia2 s PHE 24 Cb -0.14 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.50 3ia2 s PHE 24 CO 0.01 0.42 -0.11 0.45 0.70 0.00 0.00 175.22 176.69 3ia2 s SER 25 N -0.45 3.94 0.89 1.36 0.15 0.58 -3.83 113.70 116.34 3ia2 s SER 25 Ca 0.10 -1.15 -0.12 0.00 0.70 0.00 0.00 55.95 55.48 3ia2 s SER 25 Cb -0.12 -1.41 0.13 0.00 -1.71 0.00 0.00 66.02 62.91 3ia2 s SER 25 CO 0.02 -0.16 1.15 -1.38 1.20 0.00 0.00 173.24 174.07 3ia2 s HIS 26 N 1.24 2.57 0.55 3.44 -3.43 -1.26 -1.69 115.29 116.70 3ia2 s HIS 26 Ca -0.05 0.82 -0.03 0.00 -0.80 0.00 0.00 55.06 55.01 3ia2 s HIS 26 Cb -0.18 -3.42 0.11 0.00 -1.43 0.00 0.00 32.58 27.66 3ia2 s HIS 26 CO -0.07 -2.27 0.75 0.41 -2.00 0.00 0.00 174.74 171.56 3ia2 n GLY 27 N -2.43 0.22 3.76 -1.38 0.00 -1.21 -3.29 105.19 100.87 3ia2 n GLY 27 Ca 0.07 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 3ia2 n GLY 27 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ia2 s TRP 28 N -2.29 2.67 0.00 1.61 -0.00 -1.26 -2.97 118.94 116.70 3ia2 s TRP 28 Ca 0.48 0.93 0.00 0.00 -0.00 0.00 0.00 56.10 57.50 3ia2 s TRP 28 Cb -0.02 -4.06 0.00 0.00 -0.00 0.00 0.00 33.47 29.39 3ia2 s TRP 28 CO 0.32 -3.39 0.00 1.28 -0.00 0.00 0.00 176.95 175.16 3ia2 n LEU 29 N 1.49 0.00 0.00 5.86 4.77 -1.26 -4.96 117.00 122.90 3ia2 n LEU 29 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3ia2 n LEU 29 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3ia2 n LEU 29 CO 0.64 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.88 3ia2 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.16 -3.26 117.00 119.58 3ia2 n LEU 30 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ia2 n LEU 30 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ia2 n LEU 30 CO 0.00 -0.10 0.00 -0.90 -1.33 0.00 0.00 177.39 175.06 3ia2 n ASP 31 N -0.58 0.00 0.30 -1.43 5.68 -1.26 -4.39 116.55 114.87 3ia2 n ASP 31 Ca 0.00 -0.59 0.19 0.00 -0.50 0.00 0.00 54.79 53.89 3ia2 n ASP 31 Cb 0.00 0.00 1.01 0.00 -1.14 0.00 0.00 41.12 40.99 3ia2 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ia2 h ALA 32 N 1.78 1.33 0.00 2.12 0.00 -1.91 -1.57 119.26 121.01 3ia2 h ALA 32 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ia2 h ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ia2 h ALA 32 CO 0.00 -0.14 0.00 -0.44 0.00 0.00 0.00 179.25 178.67 3ia2 h ASP 33 N 0.00 0.00 0.30 0.00 5.19 -1.95 -2.41 116.42 117.55 3ia2 h ASP 33 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3ia2 h ASP 33 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 3ia2 h ASP 33 CO -0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 3ia2 h MET 34 N 0.00 0.00 -0.02 3.56 -0.00 -1.69 -2.25 114.93 114.53 3ia2 h MET 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3ia2 h MET 34 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.89 3ia2 h MET 34 CO 0.00 0.00 -0.07 0.91 -0.00 0.00 0.00 176.91 177.75 3ia2 n TRP 35 N -3.05 0.00 -0.33 -0.10 7.02 -0.91 -4.66 117.44 115.42 3ia2 n TRP 35 Ca -0.02 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.59 3ia2 n TRP 35 Cb 0.14 -0.01 0.31 0.00 -2.42 0.00 0.00 31.31 29.34 3ia2 n TRP 35 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3ia2 h GLU 36 N 3.74 0.64 -0.18 -0.99 4.11 -1.54 0.11 114.58 120.47 3ia2 h GLU 36 Ca 0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.20 3ia2 h GLU 36 Cb 0.83 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3ia2 h GLU 36 CO 0.00 0.42 -0.67 1.88 0.07 0.00 0.00 179.01 180.71 3ia2 h TYR 37 N 0.65 0.90 -0.30 2.06 0.05 -1.84 -1.68 116.97 116.81 3ia2 h TYR 37 Ca 0.57 -0.36 -0.13 0.00 0.05 0.00 0.00 58.73 58.85 3ia2 h TYR 37 Cb 0.94 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 3ia2 h TYR 37 CO -0.04 1.16 -0.36 1.96 -1.05 0.00 0.00 178.16 179.84 3ia2 h GLN 38 N 0.50 0.68 -0.19 4.88 7.50 -1.55 -1.54 115.11 125.39 3ia2 h GLN 38 Ca -0.02 -0.33 -0.02 0.00 0.50 0.00 0.00 58.65 58.78 3ia2 h GLN 38 Cb 1.27 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.79 3ia2 h GLN 38 CO 0.13 0.93 0.03 0.52 -1.50 0.00 0.00 178.83 178.95 3ia2 h MET 39 N 0.57 0.31 -0.66 1.46 2.86 -0.97 -1.20 114.93 117.29 3ia2 h MET 39 Ca 0.06 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3ia2 h MET 39 Cb 0.88 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 3ia2 h MET 39 CO 0.08 0.47 0.30 1.49 1.06 0.00 0.00 176.91 180.30 3ia2 h GLU 40 N 0.10 0.97 -0.24 1.72 4.22 -1.31 0.06 114.58 120.10 3ia2 h GLU 40 Ca 0.06 -0.16 0.01 0.00 0.08 0.00 0.00 59.36 59.35 3ia2 h GLU 40 Cb 0.31 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3ia2 h GLU 40 CO 0.00 0.79 0.14 -0.92 -2.18 0.00 0.00 179.01 176.84 3ia2 h TYR 41 N 0.92 0.27 0.10 0.92 3.20 -1.15 -1.93 116.97 119.29 3ia2 h TYR 41 Ca 0.22 0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.83 3ia2 h TYR 41 Cb 0.15 -0.09 0.02 0.00 1.54 0.00 0.00 36.73 38.35 3ia2 h TYR 41 CO 0.01 0.16 -1.17 -0.07 -1.64 0.00 0.00 178.16 175.45 3ia2 h LEU 42 N 0.30 0.65 -0.88 2.82 3.38 -1.09 -3.21 115.31 117.28 3ia2 h LEU 42 Ca 0.09 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 3ia2 h LEU 42 Cb -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3ia2 h LEU 42 CO -0.04 1.43 -0.13 0.28 0.09 0.00 0.00 178.44 180.07 3ia2 h SER 43 N 0.20 0.00 0.30 -0.43 0.02 -0.98 -1.33 113.55 111.33 3ia2 h SER 43 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3ia2 h SER 43 Cb 1.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.39 3ia2 h SER 43 CO 0.21 0.13 -0.06 -1.20 -1.14 0.00 0.00 176.83 174.76 3ia2 n SER 44 N -3.21 0.39 -0.73 3.07 7.64 -0.73 -3.78 113.62 116.27 3ia2 n SER 44 Ca 0.01 -0.65 0.06 0.00 1.01 0.00 0.00 58.87 59.30 3ia2 n SER 44 Cb 0.44 -0.09 0.18 0.00 -1.01 0.00 0.00 64.21 63.73 3ia2 n SER 44 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ia2 n ARG 45 N -0.93 1.32 -0.31 1.43 1.74 -0.57 -4.98 116.66 114.36 3ia2 n ARG 45 Ca 0.16 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.17 3ia2 n ARG 45 Cb 0.25 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3ia2 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ia2 n GLY 46 N -0.87 0.83 3.52 -0.13 0.00 -1.13 -5.01 105.19 102.41 3ia2 n GLY 46 Ca 0.17 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3ia2 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ia2 s TYR 47 N -2.00 2.49 -0.21 1.61 2.02 -0.80 -4.36 117.35 116.10 3ia2 s TYR 47 Ca 0.00 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.30 3ia2 s TYR 47 Cb 0.00 -1.20 -0.05 0.00 -0.40 0.00 0.00 41.96 40.31 3ia2 s TYR 47 CO 0.00 0.53 0.23 0.50 -1.57 0.00 0.00 175.55 175.24 3ia2 s ARG 48 N -2.89 4.15 -0.06 -0.62 3.52 -0.73 -3.75 118.95 118.57 3ia2 s ARG 48 Ca 0.24 -0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.80 3ia2 s ARG 48 Cb -0.08 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3ia2 s ARG 48 CO 0.14 0.12 -0.20 0.95 -0.81 0.00 0.00 175.30 175.50 3ia2 s THR 49 N 0.87 2.53 -0.03 4.11 -4.23 0.05 0.14 115.64 119.08 3ia2 s THR 49 Ca 0.12 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 3ia2 s THR 49 Cb -0.13 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.74 3ia2 s THR 49 CO 0.04 0.57 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.94 3ia2 s ILE 50 N -0.29 0.99 -0.09 2.99 1.09 0.28 -0.55 121.20 125.63 3ia2 s ILE 50 Ca 0.01 -0.47 -0.05 0.00 -1.10 0.00 0.00 60.65 59.03 3ia2 s ILE 50 Cb -0.13 -0.87 0.04 0.00 -1.06 0.00 0.00 42.46 40.44 3ia2 s ILE 50 CO 0.03 0.30 0.21 0.00 -0.10 0.00 0.00 174.94 175.37 3ia2 s ALA 51 N 0.14 -0.47 0.26 9.38 0.00 -0.75 -0.18 121.76 130.14 3ia2 s ALA 51 Ca -0.03 0.78 0.10 0.00 0.00 0.00 0.00 51.96 52.81 3ia2 s ALA 51 Cb -0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3ia2 s ALA 51 CO 0.01 -0.15 -0.06 -0.59 0.00 0.00 0.00 175.76 174.96 3ia2 s PHE 52 N 0.84 2.59 -0.26 0.00 -0.71 -1.25 -0.42 117.98 118.76 3ia2 s PHE 52 Ca -0.06 -0.25 -0.18 0.00 -1.04 0.00 0.00 56.93 55.40 3ia2 s PHE 52 Cb -0.07 -1.15 -0.02 0.00 -1.21 0.00 0.00 43.02 40.56 3ia2 s PHE 52 CO -0.05 0.63 0.53 -0.51 -1.34 0.00 0.00 175.22 174.49 3ia2 s ASP 53 N -3.55 6.45 0.49 1.98 1.01 0.08 -3.85 116.67 119.28 3ia2 s ASP 53 Ca 0.30 0.52 -0.23 0.00 0.71 0.00 0.00 52.55 53.86 3ia2 s ASP 53 Cb -0.06 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.50 3ia2 s ASP 53 CO 0.18 -0.31 1.11 -1.14 0.21 0.00 0.00 175.17 175.22 3ia2 n ARG 54 N 5.58 1.43 -1.59 8.23 0.63 -1.26 -4.38 116.66 125.29 3ia2 n ARG 54 Ca -0.04 0.52 -0.49 0.00 -0.92 0.00 0.00 57.85 56.93 3ia2 n ARG 54 Cb 0.50 -2.23 -0.04 0.00 0.45 0.00 0.00 32.46 31.13 3ia2 n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3ia2 n ARG 55 N -0.33 1.28 -0.39 -0.14 1.85 -1.26 -0.66 116.66 117.01 3ia2 n ARG 55 Ca 0.10 0.46 0.00 0.00 -1.00 0.00 0.00 57.85 57.41 3ia2 n ARG 55 Cb 0.42 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.83 3ia2 n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ia2 n GLY 56 N 2.15 0.97 3.30 2.89 0.00 -0.04 -4.97 105.19 109.50 3ia2 n GLY 56 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3ia2 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ia2 s PHE 57 N -2.91 1.57 0.00 1.61 0.40 0.17 -0.41 117.98 118.41 3ia2 s PHE 57 Ca 0.00 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 3ia2 s PHE 57 Cb 0.00 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.76 3ia2 s PHE 57 CO 0.00 0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.58 3ia2 n GLY 58 N -0.01 3.25 0.82 4.36 0.00 -1.26 -1.68 105.19 110.67 3ia2 n GLY 58 Ca -0.11 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3ia2 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ia2 n ARG 59 N 14.00 2.06 -2.25 1.61 1.74 -1.26 -4.64 116.66 127.93 3ia2 n ARG 59 Ca 0.00 -1.61 -0.28 0.00 -0.77 0.00 0.00 57.85 55.19 3ia2 n ARG 59 Cb 0.00 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.03 3ia2 n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3ia2 s SER 60 N -1.49 5.85 0.96 0.55 0.01 -0.67 -4.60 113.70 114.30 3ia2 s SER 60 Ca 0.34 0.99 -0.11 0.00 1.31 0.00 0.00 55.95 58.48 3ia2 s SER 60 Cb 0.19 -2.03 0.17 0.00 0.21 0.00 0.00 66.02 64.56 3ia2 s SER 60 CO 0.28 -0.97 1.10 -1.81 0.41 0.00 0.00 173.24 172.25 3ia2 s ASP 61 N -4.24 2.67 -0.66 2.44 1.01 -0.15 -4.54 116.67 113.20 3ia2 s ASP 61 Ca 0.53 1.86 0.06 0.00 0.71 0.00 0.00 52.55 55.71 3ia2 s ASP 61 Cb -0.11 -2.43 0.22 0.00 1.01 0.00 0.00 42.92 41.61 3ia2 s ASP 61 CO 0.48 -3.20 0.64 0.00 0.21 0.00 0.00 175.17 173.30 3ia2 n GLN 62 N -4.28 2.21 -2.11 8.23 6.02 -1.26 -0.86 117.38 125.33 3ia2 n GLN 62 Ca 0.08 -4.57 -0.37 0.00 -0.01 0.00 0.00 57.00 52.14 3ia2 n GLN 62 Cb 0.53 -2.25 0.01 0.00 1.02 0.00 0.00 30.24 29.55 3ia2 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3ia2 s PRO 63 N -2.05 3.53 0.21 -1.09 0.04 -1.26 -4.94 135.00 129.45 3ia2 s PRO 63 Ca 0.34 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.32 3ia2 s PRO 63 Cb 0.08 -2.33 0.17 0.00 0.04 0.00 0.00 34.50 32.45 3ia2 s PRO 63 CO -0.08 -0.77 1.50 2.35 0.04 0.00 0.00 177.00 180.04 3ia2 h TRP 64 N 1.80 0.28 -1.96 0.56 2.91 -2.00 -3.45 115.95 114.09 3ia2 h TRP 64 Ca -0.50 -0.12 -0.51 0.00 1.13 0.00 0.00 58.89 58.89 3ia2 h TRP 64 Cb 1.27 -0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.82 3ia2 h TRP 64 CO 0.51 0.84 -0.49 0.95 -1.03 0.00 0.00 178.44 179.21 3ia2 s THR 65 N -3.56 3.66 0.00 2.65 -4.23 -1.26 -4.70 115.64 108.20 3ia2 s THR 65 Ca -0.03 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3ia2 s THR 65 Cb 0.11 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3ia2 s THR 65 CO 0.81 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 3ia2 n GLY 66 N -1.26 0.58 2.70 3.99 0.00 -1.26 -4.97 105.19 104.97 3ia2 n GLY 66 Ca -0.04 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3ia2 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ia2 n ASN 67 N 0.68 5.91 -3.85 1.61 3.02 -1.26 -4.48 115.26 116.89 3ia2 n ASN 67 Ca 0.00 -3.02 -0.10 0.00 -0.03 0.00 0.00 54.58 51.43 3ia2 n ASN 67 Cb 0.00 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 37.62 3ia2 n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3ia2 s ASP 68 N 1.25 -0.06 0.34 6.41 1.47 -1.26 -4.60 116.67 120.21 3ia2 s ASP 68 Ca 0.47 -0.67 0.06 0.00 1.18 0.00 0.00 52.55 53.59 3ia2 s ASP 68 Cb 0.13 0.47 0.60 0.00 -0.34 0.00 0.00 42.92 43.78 3ia2 s ASP 68 CO -0.04 -0.91 1.83 1.88 0.68 0.00 0.00 175.17 178.61 3ia2 h TYR 69 N 2.46 0.38 -0.56 2.11 0.05 -1.93 -0.76 116.97 118.72 3ia2 h TYR 69 Ca -0.31 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.37 3ia2 h TYR 69 Cb 1.24 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.85 3ia2 h TYR 69 CO 0.38 0.52 0.21 -0.44 -1.05 0.00 0.00 178.16 177.78 3ia2 h ASP 70 N 0.32 0.77 -0.35 3.88 3.32 -1.96 0.26 116.42 122.66 3ia2 h ASP 70 Ca 0.06 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 3ia2 h ASP 70 Cb 0.51 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3ia2 h ASP 70 CO 0.03 0.74 -0.13 0.74 -1.72 0.00 0.00 179.24 178.91 3ia2 h THR 71 N 0.76 1.28 -0.64 0.35 2.02 -1.71 -2.01 112.91 112.96 3ia2 h THR 71 Ca 0.18 -1.22 0.05 0.00 0.77 0.00 0.00 66.41 66.19 3ia2 h THR 71 Cb 0.21 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 3ia2 h THR 71 CO -0.01 0.40 0.36 -0.26 0.37 0.00 0.00 175.52 176.38 3ia2 h PHE 72 N 0.50 0.66 -0.76 3.16 0.04 -0.97 0.10 116.94 119.67 3ia2 h PHE 72 Ca 0.08 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 3ia2 h PHE 72 Cb 0.65 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 3ia2 h PHE 72 CO 0.05 0.33 0.28 0.00 -0.60 0.00 0.00 178.31 178.38 3ia2 h ALA 73 N 1.33 1.06 -0.02 2.45 0.00 -0.86 -2.05 119.26 121.16 3ia2 h ALA 73 Ca 0.28 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3ia2 h ALA 73 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ia2 h ALA 73 CO -0.17 0.66 -0.56 -0.44 0.00 0.00 0.00 179.25 178.74 3ia2 h ASP 74 N 1.12 0.08 -0.35 0.00 3.32 -0.72 -1.46 116.42 118.41 3ia2 h ASP 74 Ca 0.25 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ia2 h ASP 74 Cb 0.24 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3ia2 h ASP 74 CO -0.02 0.62 0.21 0.44 -1.72 0.00 0.00 179.24 178.77 3ia2 h ASP 75 N 0.06 0.42 -0.67 6.45 3.32 -0.42 -1.16 116.42 124.42 3ia2 h ASP 75 Ca -0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3ia2 h ASP 75 Cb 1.01 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 3ia2 h ASP 75 CO 0.08 0.35 0.36 0.40 -1.72 0.00 0.00 179.24 178.71 3ia2 h ILE 76 N 0.45 1.21 -0.63 0.35 2.04 -1.09 -1.65 117.51 118.20 3ia2 h ILE 76 Ca 0.12 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.49 3ia2 h ILE 76 Cb 0.01 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 3ia2 h ILE 76 CO -0.02 0.24 0.35 0.00 0.00 0.00 0.00 178.15 178.72 3ia2 h ALA 77 N 1.18 0.83 -0.71 1.87 0.00 -1.04 -0.46 119.26 120.92 3ia2 h ALA 77 Ca 0.24 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3ia2 h ALA 77 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ia2 h ALA 77 CO -0.04 0.04 0.22 1.96 0.00 0.00 0.00 179.25 181.43 3ia2 h GLN 78 N 0.66 1.10 -0.39 0.00 4.20 -0.77 -0.10 115.11 119.81 3ia2 h GLN 78 Ca 0.28 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3ia2 h GLN 78 Cb 0.15 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3ia2 h GLN 78 CO -0.16 0.94 0.09 1.25 -0.67 0.00 0.00 178.83 180.28 3ia2 h LEU 79 N 1.05 0.59 -0.68 1.46 5.85 -0.81 0.30 115.31 123.08 3ia2 h LEU 79 Ca 0.23 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ia2 h LEU 79 Cb 0.30 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3ia2 h LEU 79 CO -0.01 0.67 0.38 0.40 -0.34 0.00 0.00 178.44 179.54 3ia2 h ILE 80 N 0.48 1.21 -0.24 4.05 2.04 -0.78 -1.63 117.51 122.65 3ia2 h ILE 80 Ca 0.12 -0.50 -0.16 0.00 1.00 0.00 0.00 64.86 65.32 3ia2 h ILE 80 Cb 0.31 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3ia2 h ILE 80 CO 0.00 0.22 -0.51 -0.33 0.00 0.00 0.00 178.15 177.54 3ia2 h GLU 81 N 0.92 0.66 -0.89 2.37 4.39 -0.89 0.77 114.58 121.91 3ia2 h GLU 81 Ca 0.24 -0.39 0.05 0.00 0.34 0.00 0.00 59.36 59.60 3ia2 h GLU 81 Cb 0.02 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 3ia2 h GLU 81 CO -0.04 1.01 0.56 1.25 -1.16 0.00 0.00 179.01 180.63 3ia2 h HIS 82 N 0.52 1.05 -0.02 4.33 2.76 -0.03 -2.39 115.15 121.36 3ia2 h HIS 82 Ca 0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3ia2 h HIS 82 Cb 1.06 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.68 3ia2 h HIS 82 CO 0.05 0.56 -0.17 1.28 -1.30 0.00 0.00 177.93 178.35 3ia2 n LEU 83 N -4.57 2.26 -3.77 0.26 4.77 -0.64 -4.98 117.00 110.34 3ia2 n LEU 83 Ca 0.12 -0.77 -0.22 0.00 -0.03 0.00 0.00 56.01 55.11 3ia2 n LEU 83 Cb 0.14 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3ia2 n LEU 83 CO 0.32 0.39 -0.11 -0.67 -1.33 0.00 0.00 177.39 175.99 3ia2 n ASP 84 N 0.54 -0.93 -4.76 -1.43 2.03 0.13 -4.92 116.55 107.21 3ia2 n ASP 84 Ca 0.13 -0.87 -0.40 0.00 0.52 0.00 0.00 54.79 54.17 3ia2 n ASP 84 Cb 0.49 -3.79 -0.04 0.00 -0.72 0.00 0.00 41.12 37.06 3ia2 n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ia2 s LEU 85 N -6.75 4.56 0.05 -2.67 1.43 -0.38 -5.03 118.68 109.90 3ia2 s LEU 85 Ca 0.00 2.23 0.04 0.00 -1.03 0.00 0.00 54.13 55.37 3ia2 s LEU 85 Cb -0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 3ia2 s LEU 85 CO 0.83 -0.12 -0.11 -0.54 0.23 0.00 0.00 176.35 176.65 3ia2 s LYS 86 N -1.35 0.66 -1.45 1.70 1.02 -1.26 -4.82 119.74 114.24 3ia2 s LYS 86 Ca 0.44 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 55.53 3ia2 s LYS 86 Cb -0.31 -0.55 0.03 0.00 -0.52 0.00 0.00 37.83 36.48 3ia2 s LYS 86 CO 0.40 0.12 0.90 0.39 -0.92 0.00 0.00 175.35 176.24 3ia2 n GLU 87 N 1.46 -6.13 -2.69 1.68 1.02 -0.67 -4.54 120.64 110.77 3ia2 n GLU 87 Ca -0.22 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.30 3ia2 n GLU 87 Cb 0.55 -5.71 -0.05 0.00 -0.02 0.00 0.00 31.44 26.20 3ia2 n GLU 87 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ia2 s VAL 88 N -3.24 4.23 -0.32 2.62 1.01 -0.01 -4.27 120.40 120.43 3ia2 s VAL 88 Ca 0.50 1.98 -0.13 0.00 0.00 0.00 0.00 61.98 64.33 3ia2 s VAL 88 Cb -0.23 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 3ia2 s VAL 88 CO 0.62 0.37 0.27 -0.89 0.00 0.00 0.00 175.10 175.47 3ia2 s THR 89 N -0.43 5.25 -0.04 3.92 2.01 -0.64 -0.31 115.64 125.39 3ia2 s THR 89 Ca 0.46 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.30 3ia2 s THR 89 Cb -0.25 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3ia2 s THR 89 CO 0.32 0.06 0.63 -0.76 -0.69 0.00 0.00 174.62 174.17 3ia2 s LEU 90 N 1.85 4.36 -0.11 4.42 1.43 -0.40 -1.11 118.68 129.12 3ia2 s LEU 90 Ca 0.09 1.13 -0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3ia2 s LEU 90 Cb -0.17 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.11 3ia2 s LEU 90 CO 0.11 -0.00 -0.09 -0.69 0.23 0.00 0.00 176.35 175.91 3ia2 s VAL 91 N 0.34 1.10 -0.03 -1.59 1.01 -0.06 0.21 120.40 121.38 3ia2 s VAL 91 Ca 0.33 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.02 3ia2 s VAL 91 Cb -0.18 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3ia2 s VAL 91 CO 0.17 0.38 -0.18 -0.83 0.00 0.00 0.00 175.10 174.63 3ia2 s GLY 92 N 1.60 0.94 -0.09 4.51 0.00 -0.36 -0.31 107.32 113.61 3ia2 s GLY 92 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.99 3ia2 s GLY 92 CO -0.08 -0.54 -0.11 -0.12 0.00 0.00 0.00 173.10 172.26 3ia2 s PHE 93 N -0.22 2.83 0.00 1.90 5.36 -0.68 -0.30 117.98 126.87 3ia2 s PHE 93 Ca 0.02 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 3ia2 s PHE 93 Cb -0.09 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 3ia2 s PHE 93 CO 0.01 0.09 0.00 0.45 -1.46 0.00 0.00 175.22 174.31 3ia2 n SER 94 N 2.75 0.00 0.29 6.13 2.88 -0.28 0.03 113.62 125.42 3ia2 n SER 94 Ca -0.18 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.56 3ia2 n SER 94 Cb 0.53 0.00 0.93 0.00 -0.75 0.00 0.00 64.21 64.91 3ia2 n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ia2 h MET 95 N 0.00 0.00 0.00 -1.46 -0.00 -1.86 -1.95 114.93 109.67 3ia2 h MET 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3ia2 h MET 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3ia2 h MET 95 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.91 177.69 3ia2 h GLY 96 N 0.92 0.00 1.78 -3.00 0.00 -0.39 -2.10 103.07 100.29 3ia2 h GLY 96 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3ia2 h GLY 96 CO 0.00 0.00 -0.24 -1.33 0.00 0.00 0.00 176.54 174.97 3ia2 h GLY 97 N 2.78 0.28 0.90 4.60 0.00 -1.42 -3.12 103.07 107.09 3ia2 h GLY 97 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3ia2 h GLY 97 CO 0.00 0.19 -0.02 -1.33 0.00 0.00 0.00 176.54 175.38 3ia2 h GLY 98 N 0.95 0.64 2.00 4.60 0.00 -1.53 -2.58 103.07 107.15 3ia2 h GLY 98 Ca 0.04 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 3ia2 h GLY 98 CO 0.04 0.45 -0.63 1.29 0.00 0.00 0.00 176.54 177.69 3ia2 h ASP 99 N 0.39 0.00 0.20 0.19 3.04 -1.61 -0.25 116.42 118.38 3ia2 h ASP 99 Ca 0.09 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.72 3ia2 h ASP 99 Cb 0.49 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.77 3ia2 h ASP 99 CO 0.02 0.63 -0.59 -0.37 -2.04 0.00 0.00 179.24 176.89 3ia2 h VAL 100 N 0.00 1.35 -0.15 4.15 -1.51 -1.61 -0.68 116.25 117.81 3ia2 h VAL 100 Ca -0.01 -1.90 -0.03 0.00 -1.23 0.00 0.00 66.70 63.54 3ia2 h VAL 100 Cb 1.39 1.90 -0.00 0.00 -2.13 0.00 0.00 31.29 32.45 3ia2 h VAL 100 CO 0.08 0.57 -0.03 0.00 -1.23 0.00 0.00 177.57 176.97 3ia2 h ALA 101 N 1.07 0.20 0.00 5.19 0.00 -1.34 -2.78 119.26 121.61 3ia2 h ALA 101 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3ia2 h ALA 101 Cb 1.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3ia2 h ALA 101 CO 0.10 -0.06 -0.23 -0.09 0.00 0.00 0.00 179.25 178.98 3ia2 h ARG 102 N -0.01 0.00 -0.06 0.00 9.65 -1.03 -0.88 114.38 122.05 3ia2 h ARG 102 Ca 0.04 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3ia2 h ARG 102 Cb 0.44 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3ia2 h ARG 102 CO 0.01 0.23 0.02 -0.92 2.80 0.00 0.00 179.97 182.11 3ia2 h TYR 103 N 0.00 0.10 -0.74 2.20 3.20 -1.01 -0.69 116.97 120.02 3ia2 h TYR 103 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3ia2 h TYR 103 Cb 0.50 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 3ia2 h TYR 103 CO 0.00 0.24 0.43 0.82 -1.64 0.00 0.00 178.16 178.01 3ia2 h ILE 104 N -0.07 1.22 -0.88 1.81 2.04 -1.15 0.14 117.51 120.62 3ia2 h ILE 104 Ca 0.02 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 3ia2 h ILE 104 Cb 0.19 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 3ia2 h ILE 104 CO -0.00 0.24 0.48 0.00 0.00 0.00 0.00 178.15 178.86 3ia2 h ALA 105 N 1.22 1.13 0.00 1.87 0.00 -1.08 0.13 119.26 122.53 3ia2 h ALA 105 Ca 0.26 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 3ia2 h ALA 105 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3ia2 h ALA 105 CO -0.05 0.64 -1.45 0.00 0.00 0.00 0.00 179.25 178.40 3ia2 h ARG 106 N 1.23 0.00 0.00 0.00 3.08 -0.83 -3.40 114.38 114.46 3ia2 h ARG 106 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3ia2 h ARG 106 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3ia2 h ARG 106 CO -0.05 0.62 -0.18 0.72 -1.07 0.00 0.00 179.97 180.01 3ia2 n HIS 107 N -3.12 0.00 0.00 3.04 8.25 0.48 -5.09 115.22 118.77 3ia2 n HIS 107 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3ia2 n HIS 107 Cb 0.99 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.10 3ia2 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ia2 n GLY 108 N 1.18 -0.84 0.57 -1.41 0.00 0.45 -4.73 105.19 100.41 3ia2 n GLY 108 Ca 0.00 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.42 3ia2 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ia2 n SER 109 N -0.83 3.14 -0.09 1.61 3.41 -1.26 -4.51 113.62 115.09 3ia2 n SER 109 Ca 0.00 -3.11 0.09 0.00 -0.26 0.00 0.00 58.87 55.59 3ia2 n SER 109 Cb 0.00 -0.50 0.45 0.00 -0.26 0.00 0.00 64.21 63.89 3ia2 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ia2 h ALA 110 N 1.01 1.87 -0.15 7.33 0.00 -1.98 -0.81 119.26 126.53 3ia2 h ALA 110 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ia2 h ALA 110 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ia2 h ALA 110 CO 0.14 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.96 3ia2 n ARG 111 N -4.48 2.17 -4.27 0.00 1.74 -1.26 -4.76 116.66 105.81 3ia2 n ARG 111 Ca 0.09 -1.73 -0.34 0.00 -0.77 0.00 0.00 57.85 55.09 3ia2 n ARG 111 Cb 0.27 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.13 3ia2 n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ia2 s VAL 112 N -1.83 4.25 -0.15 1.55 1.01 -0.31 -0.83 120.40 124.09 3ia2 s VAL 112 Ca 0.33 -0.23 0.18 0.00 0.00 0.00 0.00 61.98 62.26 3ia2 s VAL 112 Cb 0.21 -2.87 -0.25 0.00 0.00 0.00 0.00 36.38 33.46 3ia2 s VAL 112 CO 0.31 0.50 0.28 0.00 0.00 0.00 0.00 175.10 176.19 3ia2 n ALA 113 N 3.35 1.78 -3.66 5.51 0.00 0.57 -4.77 120.51 123.29 3ia2 n ALA 113 Ca -0.17 -1.05 -0.02 0.00 0.00 0.00 0.00 53.44 52.20 3ia2 n ALA 113 Cb 0.53 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 3ia2 n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ia2 s GLY 114 N -5.21 -0.34 -0.01 0.00 0.00 -1.21 -4.29 107.32 96.26 3ia2 s GLY 114 Ca -0.08 0.60 0.01 0.00 0.00 0.00 0.00 44.72 45.25 3ia2 s GLY 114 CO 0.84 0.14 -0.04 -2.27 0.00 0.00 0.00 173.10 171.76 3ia2 s LEU 115 N -2.84 1.77 -0.09 0.66 2.96 -0.33 -1.27 118.68 119.54 3ia2 s LEU 115 Ca 0.12 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3ia2 s LEU 115 Cb 0.01 -0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.43 3ia2 s LEU 115 CO -0.02 0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.20 3ia2 s VAL 116 N 0.22 1.39 -0.29 1.68 1.01 0.13 -0.95 120.40 123.59 3ia2 s VAL 116 Ca -0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3ia2 s VAL 116 Cb -0.06 -1.27 0.05 0.00 0.00 0.00 0.00 36.38 35.10 3ia2 s VAL 116 CO -0.00 0.42 -0.02 -0.76 0.00 0.00 0.00 175.10 174.74 3ia2 s LEU 117 N 0.88 3.82 -0.28 3.92 1.43 -0.24 -1.23 118.68 126.97 3ia2 s LEU 117 Ca -0.09 -1.27 -0.08 0.00 -1.03 0.00 0.00 54.13 51.66 3ia2 s LEU 117 Cb -0.15 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3ia2 s LEU 117 CO 0.01 -0.25 0.09 -0.76 0.23 0.00 0.00 176.35 175.67 3ia2 s LEU 118 N 1.24 3.74 -1.60 1.79 1.43 0.59 -1.22 118.68 124.65 3ia2 s LEU 118 Ca -0.06 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.41 3ia2 s LEU 118 Cb -0.20 -1.93 0.16 0.00 0.03 0.00 0.00 46.19 44.25 3ia2 s LEU 118 CO -0.02 -0.13 0.67 0.61 0.23 0.00 0.00 176.35 177.72 3ia2 n GLY 119 N 4.92 -0.45 3.87 -3.19 0.00 -0.01 -1.13 105.19 109.21 3ia2 n GLY 119 Ca -0.15 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3ia2 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia2 s ALA 120 N -3.16 3.27 -0.98 4.61 0.00 -1.26 -3.14 121.76 121.10 3ia2 s ALA 120 Ca 0.69 -0.15 0.24 0.00 0.00 0.00 0.00 51.96 52.73 3ia2 s ALA 120 Cb -0.38 -2.82 1.03 0.00 0.00 0.00 0.00 23.12 20.95 3ia2 s ALA 120 CO 0.84 -0.19 1.78 1.33 0.00 0.00 0.00 175.76 179.52 3ia2 n VAL 121 N -1.68 0.34 -1.97 0.00 0.24 -1.00 -4.28 118.33 109.98 3ia2 n VAL 121 Ca 0.03 0.07 -0.37 0.00 -2.04 0.00 0.00 64.34 62.03 3ia2 n VAL 121 Cb 0.54 -0.67 0.03 0.00 -1.47 0.00 0.00 33.84 32.27 3ia2 n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ia2 s THR 122 N -3.01 2.49 -0.61 3.34 -4.23 -1.26 -2.38 115.64 109.98 3ia2 s THR 122 Ca 0.12 0.35 0.24 0.00 -1.18 0.00 0.00 61.69 61.22 3ia2 s THR 122 Cb 0.16 -3.17 0.11 0.00 1.34 0.00 0.00 72.50 70.94 3ia2 s THR 122 CO 0.45 -0.03 1.40 1.55 -0.54 0.00 0.00 174.62 177.45 3ia2 h PRO 123 N 1.40 0.00 -1.97 3.99 0.13 -1.82 -3.28 132.00 130.44 3ia2 h PRO 123 Ca -0.50 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3ia2 h PRO 123 Cb 1.29 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.22 3ia2 h PRO 123 CO 0.57 0.00 0.35 -0.48 -0.23 0.00 0.00 178.00 178.21 3ia2 s LEU 124 N -4.48 -0.52 -0.06 1.56 2.34 -1.00 0.13 118.68 116.65 3ia2 s LEU 124 Ca 0.07 0.46 -0.09 0.00 0.06 0.00 0.00 54.13 54.62 3ia2 s LEU 124 Cb 0.12 2.25 -0.03 0.00 -0.56 0.00 0.00 46.19 47.97 3ia2 s LEU 124 CO 0.70 -0.55 -0.18 0.33 -1.06 0.00 0.00 176.35 175.59 3ia2 n PHE 125 N 0.60 0.00 -2.06 3.48 -0.00 -1.21 -4.66 117.46 113.61 3ia2 n PHE 125 Ca -0.15 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.03 3ia2 n PHE 125 Cb 0.59 -0.25 0.07 0.00 -0.00 0.00 0.00 39.48 39.88 3ia2 n PHE 125 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3ia2 s GLY 126 N -4.25 1.63 0.44 7.13 0.00 -0.85 -1.94 107.32 109.49 3ia2 s GLY 126 Ca -0.15 -0.71 -0.25 0.00 0.00 0.00 0.00 44.72 43.61 3ia2 s GLY 126 CO 0.22 -0.29 1.37 1.20 0.00 0.00 0.00 173.10 175.60 3ia2 s GLN 127 N -5.37 3.76 0.27 2.90 -0.21 -0.17 -4.48 119.66 116.36 3ia2 s GLN 127 Ca 0.60 2.30 0.04 0.00 0.02 0.00 0.00 55.36 58.31 3ia2 s GLN 127 Cb -0.11 -2.66 -0.06 0.00 1.00 0.00 0.00 33.01 31.18 3ia2 s GLN 127 CO 0.47 -0.71 0.02 0.15 -2.12 0.00 0.00 175.29 173.10 3ia2 s LYS 128 N -2.41 1.46 0.33 2.91 -0.14 -1.04 -4.90 119.74 115.94 3ia2 s LYS 128 Ca 0.60 -1.76 0.06 0.00 -1.36 0.00 0.00 55.97 53.50 3ia2 s LYS 128 Cb -0.41 -0.70 0.71 0.00 -1.68 0.00 0.00 37.83 35.74 3ia2 s LYS 128 CO 0.53 -0.13 1.87 -1.35 -0.76 0.00 0.00 175.35 175.50 3ia2 h PRO 129 N 2.34 0.80 -0.61 -1.68 0.11 -2.01 0.39 132.00 131.33 3ia2 h PRO 129 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ia2 h PRO 129 Cb 1.23 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ia2 h PRO 129 CO 0.66 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.58 3ia2 n ASP 130 N -4.57 3.32 -3.18 -2.05 5.75 -1.26 -4.41 116.55 110.14 3ia2 n ASP 130 Ca 0.17 -2.02 -0.18 0.00 -0.01 0.00 0.00 54.79 52.75 3ia2 n ASP 130 Cb 0.40 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 3ia2 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ia2 n TYR 131 N 1.27 0.13 0.28 2.11 9.36 0.11 -4.93 117.16 125.50 3ia2 n TYR 131 Ca 0.21 -3.79 0.13 0.00 3.32 0.00 0.00 57.90 57.77 3ia2 n TYR 131 Cb 0.53 -0.39 0.63 0.00 -0.63 0.00 0.00 39.34 39.48 3ia2 n TYR 131 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3ia2 h PRO 132 N 3.02 0.00 0.00 2.98 0.13 -1.74 -1.87 132.00 134.52 3ia2 h PRO 132 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ia2 h PRO 132 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3ia2 h PRO 132 CO 0.49 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.26 3ia2 n GLN 133 N -2.43 0.07 -0.97 0.86 0.00 -1.26 -4.83 117.38 108.82 3ia2 n GLN 133 Ca -0.00 0.16 -0.30 0.00 0.00 0.00 0.00 57.00 56.86 3ia2 n GLN 133 Cb 0.14 -1.60 0.24 0.00 0.00 0.00 0.00 30.24 29.03 3ia2 n GLN 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3ia2 s GLY 134 N -3.16 1.55 -0.04 2.61 0.00 -0.73 -4.94 107.32 102.60 3ia2 s GLY 134 Ca 0.10 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.70 3ia2 s GLY 134 CO 0.45 0.04 1.15 0.14 0.00 0.00 0.00 173.10 174.87 3ia2 s VAL 135 N -2.87 4.37 0.33 1.40 1.01 -0.82 -4.39 120.40 119.43 3ia2 s VAL 135 Ca 0.70 1.69 -0.28 0.00 0.00 0.00 0.00 61.98 64.08 3ia2 s VAL 135 Cb -0.12 -4.08 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 3ia2 s VAL 135 CO 0.57 0.03 1.26 -2.65 0.00 0.00 0.00 175.10 174.32 3ia2 n PRO 136 N 4.82 2.04 0.28 2.72 -0.02 -1.26 -1.00 135.00 142.58 3ia2 n PRO 136 Ca 0.10 0.71 0.15 0.00 -2.02 0.00 0.00 63.50 62.44 3ia2 n PRO 136 Cb 0.47 -2.27 0.78 0.00 -0.02 0.00 0.00 33.50 32.46 3ia2 n PRO 136 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ia2 h LEU 137 N 2.56 0.00 -1.19 2.45 3.38 -1.94 -2.15 115.31 118.42 3ia2 h LEU 137 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3ia2 h LEU 137 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3ia2 h LEU 137 CO 0.63 0.08 0.00 -2.24 0.09 0.00 0.00 178.44 177.00 3ia2 h ASP 138 N 0.00 0.00 -0.44 -0.43 3.04 -1.98 -0.08 116.42 116.53 3ia2 h ASP 138 Ca -0.00 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 3ia2 h ASP 138 Cb 0.35 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.62 3ia2 h ASP 138 CO 0.01 0.00 0.06 0.58 -2.04 0.00 0.00 179.24 177.86 3ia2 h VAL 139 N 0.00 1.25 0.00 4.15 2.07 -1.75 -1.79 116.25 120.18 3ia2 h VAL 139 Ca 0.00 -0.91 -0.18 0.00 0.82 0.00 0.00 66.70 66.44 3ia2 h VAL 139 Cb 0.45 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3ia2 h VAL 139 CO 0.00 0.32 -0.82 -0.26 0.02 0.00 0.00 177.57 176.82 3ia2 h PHE 140 N 0.59 0.09 -0.82 1.57 0.04 -1.45 -2.39 116.94 114.57 3ia2 h PHE 140 Ca 0.13 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3ia2 h PHE 140 Cb 0.39 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 3ia2 h PHE 140 CO 0.03 0.85 0.44 0.00 -0.60 0.00 0.00 178.31 179.03 3ia2 h ALA 141 N 1.13 1.23 -0.51 2.45 0.00 -0.96 -1.85 119.26 120.75 3ia2 h ALA 141 Ca -0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3ia2 h ALA 141 Cb 1.44 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3ia2 h ALA 141 CO 0.11 0.62 -0.14 0.00 0.00 0.00 0.00 179.25 179.84 3ia2 h ARG 142 N 1.14 0.99 -0.38 0.00 3.08 -1.18 -1.67 114.38 116.37 3ia2 h ARG 142 Ca 0.29 -0.39 0.08 0.00 0.07 0.00 0.00 59.98 60.03 3ia2 h ARG 142 Cb 0.04 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 29.95 3ia2 h ARG 142 CO -0.04 1.06 -0.24 0.74 -1.07 0.00 0.00 179.97 180.42 3ia2 h PHE 143 N 0.86 -0.64 -0.62 3.04 -1.00 -0.95 -1.10 116.94 116.53 3ia2 h PHE 143 Ca 0.13 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 3ia2 h PHE 143 Cb 0.70 0.34 -0.03 0.00 3.61 0.00 0.00 35.95 40.57 3ia2 h PHE 143 CO 0.05 -0.32 0.28 0.87 -1.61 0.00 0.00 178.31 177.58 3ia2 h LYS 144 N -0.18 0.90 -0.36 1.51 1.57 -1.12 0.17 116.57 119.06 3ia2 h LYS 144 Ca 0.18 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3ia2 h LYS 144 Cb 0.47 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3ia2 h LYS 144 CO -0.48 0.74 0.16 1.15 -0.57 0.00 0.00 179.45 180.45 3ia2 h THR 145 N 0.85 0.95 -0.45 -0.16 2.02 -0.89 -0.78 112.91 114.45 3ia2 h THR 145 Ca 0.21 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 67.14 3ia2 h THR 145 Cb 0.16 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3ia2 h THR 145 CO -0.02 0.06 -0.23 -0.33 0.37 0.00 0.00 175.52 175.37 3ia2 h GLU 146 N 0.34 0.94 -0.53 6.66 5.08 -0.92 -2.94 114.58 123.20 3ia2 h GLU 146 Ca 0.16 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 3ia2 h GLU 146 Cb 0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3ia2 h GLU 146 CO -0.13 1.06 0.21 -0.07 -1.00 0.00 0.00 179.01 179.08 3ia2 h LEU 147 N 0.80 0.70 -0.07 1.33 3.38 -0.68 -0.91 115.31 119.86 3ia2 h LEU 147 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ia2 h LEU 147 Cb 0.80 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3ia2 h LEU 147 CO 0.07 0.64 -0.01 0.18 0.09 0.00 0.00 178.44 179.40 3ia2 n LEU 148 N -4.33 0.11 -0.13 1.67 4.77 -0.32 -2.77 117.00 116.00 3ia2 n LEU 148 Ca 0.04 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.84 3ia2 n LEU 148 Cb 0.16 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3ia2 n LEU 148 CO 0.38 0.02 -1.29 0.29 -1.33 0.00 0.00 177.39 175.47 3ia2 n LYS 149 N -1.03 0.56 -3.03 3.23 5.02 -0.88 -4.97 118.16 117.06 3ia2 n LYS 149 Ca 0.20 0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 56.67 3ia2 n LYS 149 Cb 0.18 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 3ia2 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ia2 s ASP 150 N -7.15 -0.86 0.35 4.39 -1.08 -0.40 -5.01 116.67 106.91 3ia2 s ASP 150 Ca -0.36 -1.59 0.10 0.00 -0.52 0.00 0.00 52.55 50.18 3ia2 s ASP 150 Cb 0.13 1.51 0.65 0.00 -1.46 0.00 0.00 42.92 43.74 3ia2 s ASP 150 CO 0.46 -0.12 1.80 0.08 0.52 0.00 0.00 175.17 177.91 3ia2 h ARG 151 N 5.88 0.11 -0.06 4.34 0.11 -1.68 -2.33 114.38 120.75 3ia2 h ARG 151 Ca 0.08 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.12 3ia2 h ARG 151 Cb 1.10 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.17 3ia2 h ARG 151 CO 0.10 0.45 0.04 0.00 0.10 0.00 0.00 179.97 180.65 3ia2 h ALA 152 N 1.55 0.07 -0.12 0.08 0.00 -1.94 -0.68 119.26 118.23 3ia2 h ALA 152 Ca 0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3ia2 h ALA 152 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3ia2 h ALA 152 CO 0.05 -0.42 -0.52 0.37 0.00 0.00 0.00 179.25 178.73 3ia2 h GLN 153 N 0.06 0.32 -0.14 0.00 5.75 -1.96 -2.20 115.11 116.94 3ia2 h GLN 153 Ca 0.02 -0.19 0.03 0.00 -0.15 0.00 0.00 58.65 58.36 3ia2 h GLN 153 Cb 0.02 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 3ia2 h GLN 153 CO -0.00 0.77 -0.04 0.35 -2.65 0.00 0.00 178.83 177.25 3ia2 h PHE 154 N 0.25 -0.09 -0.42 3.99 3.57 -1.14 0.36 116.94 123.45 3ia2 h PHE 154 Ca 0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3ia2 h PHE 154 Cb 1.00 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 3ia2 h PHE 154 CO 0.02 -0.07 0.22 0.82 -2.23 0.00 0.00 178.31 177.08 3ia2 h ILE 155 N -0.01 0.99 -0.63 1.41 2.04 -0.98 -0.03 117.51 120.30 3ia2 h ILE 155 Ca 0.07 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3ia2 h ILE 155 Cb 0.12 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3ia2 h ILE 155 CO -0.15 0.08 0.41 -1.28 0.00 0.00 0.00 178.15 177.22 3ia2 h SER 156 N 0.45 0.72 0.47 1.72 0.87 -1.05 -1.97 113.55 114.76 3ia2 h SER 156 Ca 0.18 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 3ia2 h SER 156 Cb 0.07 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3ia2 h SER 156 CO -0.11 0.52 -0.40 0.44 -0.53 0.00 0.00 176.83 176.74 3ia2 h ASP 157 N 0.85 0.00 0.32 6.23 3.32 -0.57 -3.04 116.42 123.52 3ia2 h ASP 157 Ca 0.23 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 3ia2 h ASP 157 Cb -0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3ia2 h ASP 157 CO -0.05 0.40 -0.26 0.15 -1.72 0.00 0.00 179.24 177.77 3ia2 h PHE 158 N 0.00 0.00 -0.86 4.55 3.04 -0.22 -3.17 116.94 120.28 3ia2 h PHE 158 Ca -0.00 0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.13 3ia2 h PHE 158 Cb 0.75 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 39.14 3ia2 h PHE 158 CO 0.00 0.26 0.39 -0.91 -2.02 0.00 0.00 178.31 176.03 3ia2 h ASN 159 N 0.00 0.38 0.63 0.41 2.35 -1.39 -1.46 115.58 116.50 3ia2 h ASN 159 Ca -0.00 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3ia2 h ASN 159 Cb 0.49 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3ia2 h ASN 159 CO 0.03 0.08 -0.31 0.00 -1.65 0.00 0.00 177.43 175.58 3ia2 h ALA 160 N 1.65 -1.22 0.00 -0.83 0.00 -1.77 -1.18 119.26 115.91 3ia2 h ALA 160 Ca 0.51 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3ia2 h ALA 160 Cb 0.89 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3ia2 h ALA 160 CO -0.47 -1.16 -0.28 -1.00 0.00 0.00 0.00 179.25 176.34 3ia2 h PRO 161 N -0.86 0.00 -0.06 0.00 0.13 -1.76 0.90 132.00 130.35 3ia2 h PRO 161 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3ia2 h PRO 161 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 3ia2 h PRO 161 CO 0.13 0.28 0.04 0.35 -0.23 0.00 0.00 178.00 178.58 3ia2 h PHE 162 N 0.00 0.08 -0.01 1.56 3.04 -1.13 -3.11 116.94 117.37 3ia2 h PHE 162 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3ia2 h PHE 162 Cb 0.57 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.06 3ia2 h PHE 162 CO 0.00 0.05 -0.36 0.66 -2.02 0.00 0.00 178.31 176.64 3ia2 n TYR 163 N -5.04 0.00 -1.72 0.41 4.01 -0.46 -1.18 117.16 113.18 3ia2 n TYR 163 Ca -0.06 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.63 3ia2 n TYR 163 Cb 0.03 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 38.97 3ia2 n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ia2 n GLY 164 N 1.38 0.41 0.29 2.72 0.00 0.10 -4.71 105.19 105.38 3ia2 n GLY 164 Ca 0.11 -0.72 0.03 0.00 0.00 0.00 0.00 46.02 45.44 3ia2 n GLY 164 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ia2 h ILE 165 N 0.00 1.12 0.00 -0.61 2.04 -1.19 0.47 117.51 119.34 3ia2 h ILE 165 Ca -0.12 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3ia2 h ILE 165 Cb 0.80 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3ia2 h ILE 165 CO 0.16 0.14 0.00 -0.46 0.00 0.00 0.00 178.15 177.98 3ia2 n ASN 166 N -4.42 0.00 -0.34 1.72 6.94 -1.25 -2.89 115.26 115.01 3ia2 n ASN 166 Ca 0.02 -0.47 0.08 0.00 -0.02 0.00 0.00 54.58 54.18 3ia2 n ASN 166 Cb 0.12 -0.12 0.14 0.00 -2.36 0.00 0.00 39.78 37.56 3ia2 n ASN 166 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3ia2 n LYS 167 N -1.12 1.18 -0.51 -3.83 4.76 0.08 -4.99 118.16 113.72 3ia2 n LYS 167 Ca 0.16 -2.61 0.00 0.00 -2.87 0.00 0.00 58.31 52.99 3ia2 n LYS 167 Cb 0.13 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 3ia2 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ia2 n GLY 168 N -1.10 0.75 3.78 0.72 0.00 -1.09 -5.05 105.19 103.19 3ia2 n GLY 168 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3ia2 n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ia2 s GLN 169 N -0.49 3.74 -0.27 1.61 -1.52 -0.73 -5.01 119.66 116.99 3ia2 s GLN 169 Ca 0.00 1.62 -0.05 0.00 -1.95 0.00 0.00 55.36 54.98 3ia2 s GLN 169 Cb 0.00 -2.28 0.01 0.00 -0.22 0.00 0.00 33.01 30.52 3ia2 s GLN 169 CO 0.00 -0.53 0.02 0.08 -0.25 0.00 0.00 175.29 174.61 3ia2 s VAL 170 N -1.69 3.56 -0.03 1.09 1.01 -1.26 -4.40 120.40 118.68 3ia2 s VAL 170 Ca 0.65 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3ia2 s VAL 170 Cb -0.24 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.36 3ia2 s VAL 170 CO 0.29 0.18 -0.06 -0.69 0.00 0.00 0.00 175.10 174.82 3ia2 s VAL 171 N 1.45 0.60 0.77 2.92 1.01 -1.26 -4.98 120.40 120.90 3ia2 s VAL 171 Ca 0.03 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 3ia2 s VAL 171 Cb -0.16 -0.56 0.06 0.00 0.00 0.00 0.00 36.38 35.71 3ia2 s VAL 171 CO -0.00 0.21 1.11 -0.94 0.00 0.00 0.00 175.10 175.48 3ia2 s SER 172 N 0.39 4.36 0.36 3.32 1.04 -1.26 -4.89 113.70 117.02 3ia2 s SER 172 Ca -0.05 1.96 0.04 0.00 0.48 0.00 0.00 55.95 58.38 3ia2 s SER 172 Cb -0.09 -2.54 0.70 0.00 0.10 0.00 0.00 66.02 64.19 3ia2 s SER 172 CO 0.00 -2.14 1.99 -0.61 0.98 0.00 0.00 173.24 173.47 3ia2 h GLN 173 N -0.93 0.76 -0.26 4.02 5.75 -2.01 -2.51 115.11 119.94 3ia2 h GLN 173 Ca -0.44 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.05 3ia2 h GLN 173 Cb 1.25 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.58 3ia2 h GLN 173 CO 0.50 0.50 -0.02 0.78 -2.65 0.00 0.00 178.83 177.95 3ia2 h GLY 174 N 0.78 0.23 1.03 2.39 0.00 -1.99 0.17 103.07 105.69 3ia2 h GLY 174 Ca 0.26 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 3ia2 h GLY 174 CO -0.07 -0.06 0.29 -2.08 0.00 0.00 0.00 176.54 174.61 3ia2 h VAL 175 N 0.06 1.25 -0.73 4.60 2.07 -1.85 -0.59 116.25 121.05 3ia2 h VAL 175 Ca 0.12 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3ia2 h VAL 175 Cb 0.17 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3ia2 h VAL 175 CO -0.22 0.32 0.25 1.56 0.02 0.00 0.00 177.57 179.50 3ia2 h GLN 176 N 1.04 1.13 -0.33 1.57 4.20 -1.00 -0.45 115.11 121.27 3ia2 h GLN 176 Ca 0.24 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3ia2 h GLN 176 Cb 0.21 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3ia2 h GLN 176 CO -0.02 0.95 0.06 1.15 -0.67 0.00 0.00 178.83 180.30 3ia2 h THR 177 N 1.08 1.23 -0.77 -0.54 2.02 -0.41 -2.35 112.91 113.17 3ia2 h THR 177 Ca 0.24 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3ia2 h THR 177 Cb 0.27 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3ia2 h THR 177 CO -0.01 0.27 0.40 -0.61 0.37 0.00 0.00 175.52 175.94 3ia2 h GLN 178 N 0.37 1.09 -0.26 6.66 4.15 -0.91 -0.47 115.11 125.74 3ia2 h GLN 178 Ca 0.10 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.40 3ia2 h GLN 178 Cb 0.34 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3ia2 h GLN 178 CO 0.01 0.83 0.12 1.15 -1.93 0.00 0.00 178.83 179.00 3ia2 h THR 179 N 1.08 0.98 -0.45 2.39 2.02 -0.96 -1.62 112.91 116.34 3ia2 h THR 179 Ca 0.27 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 3ia2 h THR 179 Cb 0.07 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3ia2 h THR 179 CO -0.04 0.05 0.10 0.25 0.37 0.00 0.00 175.52 176.25 3ia2 h LEU 180 N 0.26 0.69 -0.31 2.58 5.85 -1.17 -2.02 115.31 121.19 3ia2 h LEU 180 Ca 0.11 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3ia2 h LEU 180 Cb 0.04 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3ia2 h LEU 180 CO -0.09 0.75 0.05 -0.61 -0.34 0.00 0.00 178.44 178.21 3ia2 h GLN 181 N 0.59 0.15 -0.43 1.25 4.15 -0.82 -1.23 115.11 118.78 3ia2 h GLN 181 Ca 0.14 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 3ia2 h GLN 181 Cb 0.34 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 3ia2 h GLN 181 CO 0.00 0.10 0.12 0.82 -1.93 0.00 0.00 178.83 177.95 3ia2 h ILE 182 N 0.16 1.22 -0.41 2.39 2.04 -1.25 -2.93 117.51 118.73 3ia2 h ILE 182 Ca 0.14 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3ia2 h ILE 182 Cb 0.16 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3ia2 h ILE 182 CO -0.20 0.27 0.20 0.00 0.00 0.00 0.00 178.15 178.42 3ia2 h ALA 183 N 0.98 1.59 0.00 1.87 0.00 -0.98 -2.04 119.26 120.67 3ia2 h ALA 183 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ia2 h ALA 183 Cb 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ia2 h ALA 183 CO -0.00 0.34 -0.01 -0.07 0.00 0.00 0.00 179.25 179.50 3ia2 h LEU 184 N 0.57 0.00 -1.56 0.00 3.38 -1.04 -2.45 115.31 114.21 3ia2 h LEU 184 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3ia2 h LEU 184 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ia2 h LEU 184 CO -0.02 0.01 -0.22 -0.07 0.09 0.00 0.00 178.44 178.23 3ia2 h LEU 185 N 0.00 0.00-10.30 1.67 3.38 -1.33 -3.46 115.31 105.27 3ia2 h LEU 185 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3ia2 h LEU 185 Cb 0.57 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.47 3ia2 h LEU 185 CO 0.00 0.22 0.29 0.00 0.09 0.00 0.00 178.44 179.04 3ia2 s ALA 186 N -4.55 2.02 0.15 1.53 0.00 -0.92 -4.58 121.76 115.41 3ia2 s ALA 186 Ca -0.04 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 3ia2 s ALA 186 Cb 0.15 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 3ia2 s ALA 186 CO 0.70 -2.04 1.13 0.45 0.00 0.00 0.00 175.76 176.01 3ia2 s SER 187 N -3.23 7.20 0.22 0.00 0.15 0.45 -4.96 113.70 113.53 3ia2 s SER 187 Ca 0.63 2.10 -0.08 0.00 0.70 0.00 0.00 55.95 59.29 3ia2 s SER 187 Cb -0.18 -2.60 0.31 0.00 -1.71 0.00 0.00 66.02 61.83 3ia2 s SER 187 CO 0.57 -0.30 1.77 0.25 1.20 0.00 0.00 173.24 176.73 3ia2 h LEU 188 N 5.47 0.40 -0.41 3.45 5.85 -1.95 -0.76 115.31 127.37 3ia2 h LEU 188 Ca -0.44 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 3ia2 h LEU 188 Cb 1.21 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3ia2 h LEU 188 CO 0.74 0.23 0.16 0.50 -0.34 0.00 0.00 178.44 179.73 3ia2 h LYS 189 N 0.55 0.61 -0.56 1.25 1.63 -1.96 -1.91 116.57 116.17 3ia2 h LYS 189 Ca 0.33 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.92 3ia2 h LYS 189 Cb 0.35 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 3ia2 h LYS 189 CO -0.27 0.58 -0.02 0.00 -3.45 0.00 0.00 179.45 176.29 3ia2 h ALA 190 N 1.00 0.89 -0.60 5.00 0.00 -1.82 0.03 119.26 123.76 3ia2 h ALA 190 Ca 0.13 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ia2 h ALA 190 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ia2 h ALA 190 CO -0.01 0.65 0.39 1.15 0.00 0.00 0.00 179.25 181.43 3ia2 h THR 191 N 0.90 1.12 -0.08 0.00 2.02 -0.89 -0.23 112.91 115.76 3ia2 h THR 191 Ca 0.16 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 3ia2 h THR 191 Cb 0.56 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3ia2 h THR 191 CO 0.03 0.14 -0.43 0.58 0.37 0.00 0.00 175.52 176.21 3ia2 h VAL 192 N 0.78 1.40 -0.86 3.16 2.07 -1.19 -3.21 116.25 118.40 3ia2 h VAL 192 Ca 0.23 -1.82 0.06 0.00 0.82 0.00 0.00 66.70 65.99 3ia2 h VAL 192 Cb -0.04 2.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3ia2 h VAL 192 CO -0.07 0.53 0.56 0.44 0.02 0.00 0.00 177.57 179.06 3ia2 h ASP 193 N -0.03 0.86 -0.27 0.57 3.32 -0.85 -2.02 116.42 118.00 3ia2 h ASP 193 Ca -0.03 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3ia2 h ASP 193 Cb 1.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3ia2 h ASP 193 CO 0.09 0.56 0.10 0.00 -1.72 0.00 0.00 179.24 178.27 3ia2 h VAL 195 N 0.48 0.98 -0.66 0.00 2.07 -1.36 -0.05 116.25 117.70 3ia2 h VAL 195 Ca 0.12 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.64 3ia2 h VAL 195 Cb 0.16 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3ia2 h VAL 195 CO -0.01 0.03 0.36 0.74 0.02 0.00 0.00 177.57 178.71 3ia2 h THR 196 N 0.15 0.97 0.54 2.57 2.02 -1.34 -0.08 112.91 117.74 3ia2 h THR 196 Ca 0.07 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 3ia2 h THR 196 Cb 0.03 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3ia2 h THR 196 CO -0.06 0.12 -0.26 0.00 0.37 0.00 0.00 175.52 175.69 3ia2 h ALA 197 N 1.34 -0.73 0.00 6.16 0.00 -0.79 -2.55 119.26 122.70 3ia2 h ALA 197 Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ia2 h ALA 197 Cb 0.18 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ia2 h ALA 197 CO -0.18 -0.87 -0.09 0.27 0.00 0.00 0.00 179.25 178.37 3ia2 h PHE 198 N -0.80 0.00 -0.30 0.00 -5.15 -0.94 -1.92 116.94 107.83 3ia2 h PHE 198 Ca -0.07 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.51 3ia2 h PHE 198 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.76 3ia2 h PHE 198 CO -0.02 0.09 -0.53 0.00 -2.00 0.00 0.00 178.31 175.85 3ia2 h ALA 199 N 1.91 0.50 -0.00 12.09 0.00 -0.98 -3.39 119.26 129.38 3ia2 h ALA 199 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ia2 h ALA 199 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ia2 h ALA 199 CO 0.01 0.68 -0.05 0.39 0.00 0.00 0.00 179.25 180.28 3ia2 n GLU 200 N -4.01 4.55 -2.63 0.00 1.02 -0.96 -2.00 120.64 116.62 3ia2 n GLU 200 Ca -0.04 -0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.52 3ia2 n GLU 200 Cb 0.62 -0.70 -0.03 0.00 -0.02 0.00 0.00 31.44 31.31 3ia2 n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ia2 s THR 201 N -0.88 4.63 -0.34 2.62 2.01 -0.73 -5.01 115.64 117.93 3ia2 s THR 201 Ca 0.01 1.89 -0.14 0.00 0.31 0.00 0.00 61.69 63.76 3ia2 s THR 201 Cb 0.01 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 3ia2 s THR 201 CO 0.05 0.13 0.28 -0.62 -0.69 0.00 0.00 174.62 173.78 3ia2 s ASP 202 N 1.04 6.10 -0.08 3.53 -1.08 -1.26 -4.49 116.67 120.43 3ia2 s ASP 202 Ca 0.54 -0.39 0.18 0.00 -0.52 0.00 0.00 52.55 52.36 3ia2 s ASP 202 Cb -0.23 -2.16 0.64 0.00 -1.46 0.00 0.00 42.92 39.71 3ia2 s ASP 202 CO 0.28 -0.28 1.55 0.49 0.52 0.00 0.00 175.17 177.73 3ia2 n PHE 203 N 5.19 1.20 -0.25 -5.34 3.72 0.12 -4.54 117.46 117.55 3ia2 n PHE 203 Ca -0.12 -0.59 -0.07 0.00 -0.05 0.00 0.00 57.45 56.63 3ia2 n PHE 203 Cb 0.49 -0.17 0.05 0.00 -0.94 0.00 0.00 39.48 38.92 3ia2 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ia2 h ARG 204 N 3.68 1.06 -0.99 -1.08 3.08 -1.90 -1.61 114.38 116.63 3ia2 h ARG 204 Ca 0.00 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.88 3ia2 h ARG 204 Cb 1.25 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 31.08 3ia2 h ARG 204 CO 0.15 0.89 0.65 -1.35 -1.07 0.00 0.00 179.97 179.24 3ia2 h PRO 205 N 1.01 1.21 -0.70 0.04 0.11 -1.92 -2.72 132.00 129.02 3ia2 h PRO 205 Ca 0.23 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.31 3ia2 h PRO 205 Cb 0.25 -0.27 -0.05 0.00 0.11 0.00 0.00 31.00 31.04 3ia2 h PRO 205 CO -0.01 0.80 0.42 -0.44 -0.21 0.00 0.00 178.00 178.55 3ia2 h ASP 206 N 1.24 0.66 -0.95 -2.05 5.19 -1.62 -2.53 116.42 116.36 3ia2 h ASP 206 Ca 0.40 0.01 0.14 0.00 -0.62 0.00 0.00 57.03 56.96 3ia2 h ASP 206 Cb 0.02 -0.12 -0.08 0.00 0.18 0.00 0.00 39.33 39.32 3ia2 h ASP 206 CO -0.13 0.44 0.60 0.24 -3.12 0.00 0.00 179.24 177.28 3ia2 h MET 207 N 0.80 0.81 0.00 3.56 2.86 -1.02 0.11 114.93 122.05 3ia2 h MET 207 Ca 0.30 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3ia2 h MET 207 Cb 0.10 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3ia2 h MET 207 CO -0.14 0.53 0.00 0.00 1.06 0.00 0.00 176.91 178.36 3ia2 h ALA 208 N 1.58 1.00 -0.02 6.32 0.00 -1.47 -2.76 119.26 123.90 3ia2 h ALA 208 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3ia2 h ALA 208 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ia2 h ALA 208 CO -0.25 0.00 -0.14 1.63 0.00 0.00 0.00 179.25 180.50 3ia2 n LYS 209 N -2.61 1.92 -2.77 0.00 5.02 0.01 -4.85 118.16 114.88 3ia2 n LYS 209 Ca 0.02 -1.55 -0.43 0.00 -2.02 0.00 0.00 58.31 54.33 3ia2 n LYS 209 Cb 0.27 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 3ia2 n LYS 209 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ia2 s ILE 210 N -2.14 4.33 -0.28 -0.18 1.01 -1.04 -4.85 121.20 118.06 3ia2 s ILE 210 Ca 0.26 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.61 3ia2 s ILE 210 Cb 0.20 -4.55 0.45 0.00 0.01 0.00 0.00 42.46 38.57 3ia2 s ILE 210 CO 0.38 -1.06 1.23 -0.90 0.00 0.00 0.00 174.94 174.60 3ia2 n ASP 211 N 7.58 3.88 -4.28 3.58 5.75 -1.26 -4.53 116.55 127.27 3ia2 n ASP 211 Ca 0.05 -3.80 -0.16 0.00 -0.01 0.00 0.00 54.79 50.86 3ia2 n ASP 211 Cb 0.48 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 40.04 3ia2 n ASP 211 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3ia2 s VAL 212 N -4.12 1.41 0.17 2.12 -7.23 -1.26 -5.11 120.40 106.38 3ia2 s VAL 212 Ca 0.47 -2.06 -0.33 0.00 -1.81 0.00 0.00 61.98 58.24 3ia2 s VAL 212 Cb 0.40 -1.87 -0.15 0.00 0.56 0.00 0.00 36.38 35.32 3ia2 s VAL 212 CO 0.00 -0.64 1.40 -2.65 -0.31 0.00 0.00 175.10 172.90 3ia2 n PRO 213 N -0.15 1.71 -4.41 4.82 -0.02 -1.26 -4.76 135.00 130.93 3ia2 n PRO 213 Ca -0.10 0.61 -0.20 0.00 -2.02 0.00 0.00 63.50 61.79 3ia2 n PRO 213 Cb 0.60 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.66 3ia2 n PRO 213 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ia2 s THR 214 N 0.31 0.80 -0.14 3.45 2.01 -1.26 -1.19 115.64 119.62 3ia2 s THR 214 Ca 0.76 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.40 3ia2 s THR 214 Cb -0.76 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.06 3ia2 s THR 214 CO 0.46 0.24 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.19 3ia2 s LEU 215 N 0.07 2.12 -0.19 4.42 2.96 -0.12 -0.72 118.68 127.21 3ia2 s LEU 215 Ca -0.01 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 3ia2 s LEU 215 Cb -0.07 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 3ia2 s LEU 215 CO 0.00 0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.41 3ia2 s VAL 216 N 0.76 3.80 -0.04 1.68 1.01 0.90 -1.08 120.40 127.42 3ia2 s VAL 216 Ca -0.08 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3ia2 s VAL 216 Cb -0.16 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3ia2 s VAL 216 CO -0.01 0.45 -0.20 -0.63 0.00 0.00 0.00 175.10 174.71 3ia2 s ILE 217 N 0.90 1.66 -0.12 2.22 1.01 -0.36 -0.62 121.20 125.89 3ia2 s ILE 217 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 3ia2 s ILE 217 Cb -0.14 -1.41 0.05 0.00 0.01 0.00 0.00 42.46 40.96 3ia2 s ILE 217 CO 0.02 0.47 0.48 -2.28 0.00 0.00 0.00 174.94 173.62 3ia2 s HIS 218 N -0.10 -0.47 -0.01 3.97 2.46 -0.94 -0.83 115.29 119.37 3ia2 s HIS 218 Ca -0.02 1.01 -0.21 0.00 0.47 0.00 0.00 55.06 56.30 3ia2 s HIS 218 Cb -0.12 0.20 -0.05 0.00 -0.13 0.00 0.00 32.58 32.48 3ia2 s HIS 218 CO 0.02 -0.36 0.62 0.20 -2.47 0.00 0.00 174.74 172.76 3ia2 s GLY 219 N -0.42 2.63 0.00 1.59 0.00 -1.26 -1.29 107.32 108.57 3ia2 s GLY 219 Ca -0.06 0.06 0.14 0.00 0.00 0.00 0.00 44.72 44.87 3ia2 s GLY 219 CO 0.03 0.83 1.42 2.09 0.00 0.00 0.00 173.10 177.47 3ia2 n ASP 220 N 2.85 1.13 -1.07 1.64 5.68 -1.11 -2.60 116.55 123.07 3ia2 n ASP 220 Ca -0.06 -1.77 0.08 0.00 -0.50 0.00 0.00 54.79 52.54 3ia2 n ASP 220 Cb 0.51 -0.10 0.26 0.00 -1.14 0.00 0.00 41.12 40.64 3ia2 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ia2 n GLY 221 N 0.95 2.90 3.62 6.12 0.00 -0.61 -4.75 105.19 113.41 3ia2 n GLY 221 Ca 0.12 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 3ia2 n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ia2 s ASP 222 N -1.11 5.91 0.00 1.61 -1.08 -1.06 -4.52 116.67 116.42 3ia2 s ASP 222 Ca 0.39 1.85 0.26 0.00 -0.52 0.00 0.00 52.55 54.53 3ia2 s ASP 222 Cb 0.24 -2.52 0.78 0.00 -1.46 0.00 0.00 42.92 39.96 3ia2 s ASP 222 CO 0.21 -1.60 1.60 0.00 0.52 0.00 0.00 175.17 175.89 3ia2 n GLN 223 N 8.24 0.24 -0.09 4.34 6.02 -1.26 -4.39 117.38 130.48 3ia2 n GLN 223 Ca 0.24 -0.12 -0.18 0.00 -0.01 0.00 0.00 57.00 56.93 3ia2 n GLN 223 Cb 0.45 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 3ia2 n GLN 223 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3ia2 n ILE 224 N -1.27 1.30 -3.91 5.09 2.08 -1.26 -4.87 119.36 116.50 3ia2 n ILE 224 Ca 0.08 -0.14 -0.34 0.00 0.56 0.00 0.00 62.75 62.92 3ia2 n ILE 224 Cb 0.33 -1.94 -0.13 0.00 -0.75 0.00 0.00 39.64 37.15 3ia2 n ILE 224 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3ia2 s VAL 225 N -2.51 2.77 -0.04 1.39 1.01 -1.26 -5.07 120.40 116.68 3ia2 s VAL 225 Ca -0.28 -2.03 -0.31 0.00 0.00 0.00 0.00 61.98 59.36 3ia2 s VAL 225 Cb 0.09 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 3ia2 s VAL 225 CO 0.37 -0.51 2.01 -2.65 0.00 0.00 0.00 175.10 174.32 3ia2 n PRO 226 N 4.45 2.55 -0.21 2.72 -0.02 -1.26 -4.79 135.00 138.45 3ia2 n PRO 226 Ca -0.03 0.90 0.01 0.00 -2.02 0.00 0.00 63.50 62.36 3ia2 n PRO 226 Cb 0.42 -2.98 0.12 0.00 -0.02 0.00 0.00 33.50 31.04 3ia2 n PRO 226 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ia2 h PHE 227 N 11.21 0.36 -0.21 6.00 3.04 -1.81 -2.56 116.94 132.97 3ia2 h PHE 227 Ca -0.48 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.53 3ia2 h PHE 227 Cb 1.25 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 3ia2 h PHE 227 CO 0.94 0.06 0.14 0.93 -2.02 0.00 0.00 178.31 178.36 3ia2 h GLU 228 N 0.37 0.20 -0.11 1.11 4.39 -1.95 -1.74 114.58 116.85 3ia2 h GLU 228 Ca 0.33 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3ia2 h GLU 228 Cb 0.44 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3ia2 h GLU 228 CO -0.35 0.13 0.00 0.25 -1.16 0.00 0.00 179.01 177.88 3ia2 n THR 229 N -4.50 0.27 0.00 1.13 -2.24 -1.08 -4.39 114.28 103.47 3ia2 n THR 229 Ca 0.01 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3ia2 n THR 229 Cb 0.14 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3ia2 n THR 229 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ia2 n THR 230 N 0.65 0.00 -0.26 4.28 -2.24 -0.99 -4.63 114.28 111.09 3ia2 n THR 230 Ca 0.08 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 3ia2 n THR 230 Cb 0.34 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.76 3ia2 n THR 230 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3ia2 h GLY 231 N 0.00 1.13 0.71 3.38 0.00 -1.59 0.14 103.07 106.84 3ia2 h GLY 231 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.30 3ia2 h GLY 231 CO 0.00 -0.17 0.56 1.70 0.00 0.00 0.00 176.54 178.63 3ia2 h LYS 232 N 0.35 0.98 0.16 4.80 3.64 -1.59 -1.96 116.57 122.96 3ia2 h LYS 232 Ca 0.43 -0.06 -0.30 0.00 -1.27 0.00 0.00 60.65 59.45 3ia2 h LYS 232 Cb 0.72 -0.22 0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3ia2 h LYS 232 CO -0.47 0.65 -1.29 0.28 -2.27 0.00 0.00 179.45 176.35 3ia2 h VAL 233 N 1.01 1.29 -0.89 2.00 2.07 -1.29 -3.27 116.25 117.18 3ia2 h VAL 233 Ca 0.39 -2.53 0.05 0.00 0.82 0.00 0.00 66.70 65.44 3ia2 h VAL 233 Cb 0.19 2.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 3ia2 h VAL 233 CO -0.18 0.76 0.57 0.00 0.02 0.00 0.00 177.57 178.74 3ia2 h ALA 234 N 0.23 1.22 0.00 1.67 0.00 -0.59 -0.78 119.26 121.01 3ia2 h ALA 234 Ca -0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3ia2 h ALA 234 Cb 1.97 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 3ia2 h ALA 234 CO 0.25 0.36 -0.13 0.00 0.00 0.00 0.00 179.25 179.72 3ia2 h ALA 235 N 1.40 1.52 0.10 0.00 0.00 -1.43 -1.66 119.26 119.19 3ia2 h ALA 235 Ca 0.38 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.87 3ia2 h ALA 235 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ia2 h ALA 235 CO -0.16 0.17 -1.49 0.93 0.00 0.00 0.00 179.25 178.70 3ia2 h GLU 236 N 0.00 0.22 0.00 0.00 5.08 -1.28 -3.36 114.58 115.24 3ia2 h GLU 236 Ca -0.00 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 57.89 3ia2 h GLU 236 Cb 0.28 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3ia2 h GLU 236 CO 0.02 1.08 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.56 3ia2 h LEU 237 N 0.06 0.00 -8.92 1.33 3.38 -0.82 -3.43 115.31 106.91 3ia2 h LEU 237 Ca -0.22 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.13 3ia2 h LEU 237 Cb 2.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.62 3ia2 h LEU 237 CO 0.16 0.47 0.05 -0.63 0.09 0.00 0.00 178.44 178.58 3ia2 s ILE 238 N -3.17 5.01 0.11 1.22 1.01 -0.66 -4.58 121.20 120.15 3ia2 s ILE 238 Ca 0.03 0.83 -0.31 0.00 0.00 0.00 0.00 60.65 61.19 3ia2 s ILE 238 Cb 0.09 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.54 3ia2 s ILE 238 CO 0.72 -0.03 1.84 1.17 0.00 0.00 0.00 174.94 178.64 3ia2 n LYS 239 N 5.70 2.75 -0.99 2.79 4.81 -1.26 -2.06 118.16 129.90 3ia2 n LYS 239 Ca -0.03 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 3ia2 n LYS 239 Cb 0.49 -2.89 0.00 0.00 0.02 0.00 0.00 35.03 32.65 3ia2 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ia2 n GLY 240 N 4.23 0.68 3.76 3.14 0.00 -1.26 -4.86 105.19 110.88 3ia2 n GLY 240 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3ia2 n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia2 s ALA 241 N -2.80 3.03 -0.03 4.61 0.00 -0.87 -4.64 121.76 121.05 3ia2 s ALA 241 Ca 0.00 1.19 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 3ia2 s ALA 241 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3ia2 s ALA 241 CO 0.00 -0.98 0.13 -2.00 0.00 0.00 0.00 175.76 172.91 3ia2 s GLU 242 N -2.61 3.28 -0.10 0.00 2.12 0.10 -4.96 118.70 116.53 3ia2 s GLU 242 Ca 0.64 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.65 3ia2 s GLU 242 Cb -0.36 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.02 3ia2 s GLU 242 CO 0.45 0.69 -0.20 -1.17 -0.54 0.00 0.00 175.26 174.48 3ia2 s LEU 243 N -1.62 1.96 -0.10 2.70 2.96 -1.26 -0.07 118.68 123.24 3ia2 s LEU 243 Ca 0.22 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3ia2 s LEU 243 Cb -0.12 -1.25 0.01 0.00 0.50 0.00 0.00 46.19 45.32 3ia2 s LEU 243 CO 0.13 0.11 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.54 3ia2 s LYS 244 N 0.52 2.56 -0.24 1.98 1.02 0.21 -4.97 119.74 120.81 3ia2 s LYS 244 Ca -0.16 -0.70 -0.05 0.00 0.02 0.00 0.00 55.97 55.09 3ia2 s LYS 244 Cb -0.17 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 3ia2 s LYS 244 CO 0.06 0.04 -0.00 0.08 -0.92 0.00 0.00 175.35 174.60 3ia2 s VAL 245 N 0.69 3.61 -0.35 3.17 1.01 -1.26 -2.22 120.40 125.04 3ia2 s VAL 245 Ca -0.12 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 3ia2 s VAL 245 Cb -0.16 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3ia2 s VAL 245 CO 0.03 0.35 0.97 -0.31 0.00 0.00 0.00 175.10 176.13 3ia2 s TYR 246 N 1.50 3.10 0.03 5.22 1.51 -0.41 -4.95 117.35 123.35 3ia2 s TYR 246 Ca 0.05 0.91 -0.30 0.00 -1.01 0.00 0.00 57.07 56.72 3ia2 s TYR 246 Cb -0.15 -3.66 -0.08 0.00 -0.11 0.00 0.00 41.96 37.96 3ia2 s TYR 246 CO -0.01 -0.81 1.81 0.21 -1.11 0.00 0.00 175.55 175.64 3ia2 s LYS 247 N 3.53 4.16 0.00 -0.62 2.20 -1.26 -2.32 119.74 125.44 3ia2 s LYS 247 Ca 0.40 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 3ia2 s LYS 247 Cb -0.12 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 3ia2 s LYS 247 CO 0.18 -0.87 0.00 -0.25 -0.36 0.00 0.00 175.35 174.05 3ia2 n ASP 248 N 6.83 -1.82 -4.76 1.43 8.00 -1.26 -4.92 116.55 120.05 3ia2 n ASP 248 Ca 0.18 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.31 3ia2 n ASP 248 Cb 0.41 -1.78 0.02 0.00 -0.02 0.00 0.00 41.12 39.75 3ia2 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ia2 s ALA 249 N -1.91 2.77 0.87 2.24 0.00 -0.98 -4.33 121.76 120.42 3ia2 s ALA 249 Ca 0.00 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.95 3ia2 s ALA 249 Cb 0.00 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 19.76 3ia2 s ALA 249 CO 0.00 -1.01 0.57 -0.35 0.00 0.00 0.00 175.76 174.97 3ia2 n PRO 250 N -1.05 -0.36 -0.13 0.00 -0.04 -1.26 -1.57 135.00 130.59 3ia2 n PRO 250 Ca 0.10 -1.03 -0.10 0.00 -0.04 0.00 0.00 63.50 62.43 3ia2 n PRO 250 Cb 0.48 -0.54 -0.02 0.00 -0.04 0.00 0.00 33.50 33.38 3ia2 n PRO 250 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3ia2 h HIS 251 N -1.11 0.72 -0.43 0.54 -0.00 -1.78 -3.30 115.15 109.77 3ia2 h HIS 251 Ca -0.19 -0.12 -0.40 0.00 -0.00 0.00 0.00 60.37 59.67 3ia2 h HIS 251 Cb 0.55 -0.19 -0.09 0.00 -0.00 0.00 0.00 27.41 27.68 3ia2 h HIS 251 CO 0.00 0.74 0.67 0.41 -0.00 0.00 0.00 177.93 179.75 3ia2 n GLY 252 N -0.39 3.78 0.00 5.26 0.00 -0.32 -4.62 105.19 108.90 3ia2 n GLY 252 Ca -0.01 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.60 3ia2 n GLY 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3ia2 n PHE 253 N 2.07 0.00 0.28 1.61 1.16 -1.24 -2.31 117.46 119.03 3ia2 n PHE 253 Ca 0.51 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 56.24 3ia2 n PHE 253 Cb 0.65 -0.48 0.80 0.00 -1.61 0.00 0.00 39.48 38.84 3ia2 n PHE 253 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3ia2 h ALA 254 N 2.93 1.19 0.00 1.98 0.00 -1.87 0.36 119.26 123.84 3ia2 h ALA 254 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3ia2 h ALA 254 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ia2 h ALA 254 CO 0.00 0.10 -0.77 0.28 0.00 0.00 0.00 179.25 178.86 3ia2 h VAL 255 N 0.00 0.34 -0.02 0.00 2.07 -1.84 -3.30 116.25 113.49 3ia2 h VAL 255 Ca -0.00 -1.43 -0.11 0.00 0.82 0.00 0.00 66.70 65.98 3ia2 h VAL 255 Cb 0.31 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3ia2 h VAL 255 CO 0.01 0.11 -0.50 0.71 0.02 0.00 0.00 177.57 177.93 3ia2 h THR 256 N -1.00 1.36 -0.85 2.57 1.35 -1.48 -3.20 112.91 111.66 3ia2 h THR 256 Ca -0.13 -1.72 -0.52 0.00 -0.55 0.00 0.00 66.41 63.50 3ia2 h THR 256 Cb 0.79 1.91 -0.42 0.00 -1.73 0.00 0.00 68.15 68.69 3ia2 h THR 256 CO -0.08 0.49 -0.85 1.41 -0.25 0.00 0.00 175.52 176.25 3ia2 n HIS 257 N -3.95 2.65 -0.07 4.73 -0.00 0.12 -4.90 115.22 113.80 3ia2 n HIS 257 Ca -0.02 -2.37 -0.07 0.00 -0.00 0.00 0.00 57.72 55.26 3ia2 n HIS 257 Cb 0.52 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.99 30.22 3ia2 n HIS 257 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ia2 h ALA 258 N 2.32 0.25 -0.50 -1.41 0.00 -1.57 -1.23 119.26 117.13 3ia2 h ALA 258 Ca 0.29 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 3ia2 h ALA 258 Cb 1.40 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3ia2 h ALA 258 CO 0.70 -0.41 0.04 0.37 0.00 0.00 0.00 179.25 179.96 3ia2 h GLN 259 N 0.09 0.85 -0.54 0.00 4.15 -1.90 0.21 115.11 117.97 3ia2 h GLN 259 Ca 0.13 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 3ia2 h GLN 259 Cb 0.17 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3ia2 h GLN 259 CO -0.22 0.87 0.30 0.37 -1.93 0.00 0.00 178.83 178.22 3ia2 h GLN 260 N 0.72 0.76 -0.27 1.69 4.15 -1.91 -1.31 115.11 118.94 3ia2 h GLN 260 Ca 0.15 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3ia2 h GLN 260 Cb 0.45 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3ia2 h GLN 260 CO 0.02 0.58 0.13 1.25 -1.93 0.00 0.00 178.83 178.87 3ia2 h LEU 261 N 0.73 0.36 -0.29 -2.39 5.85 -0.96 -0.97 115.31 117.63 3ia2 h LEU 261 Ca 0.19 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3ia2 h LEU 261 Cb 0.04 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3ia2 h LEU 261 CO -0.03 0.39 -0.12 0.78 -0.34 0.00 0.00 178.44 179.12 3ia2 h ASN 262 N 0.30 -0.41 -0.53 1.25 2.35 -0.67 0.45 115.58 118.31 3ia2 h ASN 262 Ca 0.09 0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 3ia2 h ASN 262 Cb 0.13 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3ia2 h ASN 262 CO -0.01 -0.15 0.01 -0.33 -1.65 0.00 0.00 177.43 175.29 3ia2 h GLU 263 N -0.07 0.98 -0.44 0.81 5.08 -1.13 -1.78 114.58 118.03 3ia2 h GLU 263 Ca 0.15 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 3ia2 h GLU 263 Cb 0.30 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3ia2 h GLU 263 CO -0.34 0.96 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.09 3ia2 h ASP 264 N 0.90 0.78 -0.39 1.42 3.32 -0.73 -1.18 116.42 120.54 3ia2 h ASP 264 Ca 0.17 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3ia2 h ASP 264 Cb 0.51 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3ia2 h ASP 264 CO 0.03 0.90 0.03 -0.07 -1.72 0.00 0.00 179.24 178.41 3ia2 h LEU 265 N 0.72 0.66 -0.64 1.55 3.38 -0.67 -1.88 115.31 118.43 3ia2 h LEU 265 Ca 0.12 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3ia2 h LEU 265 Cb 0.58 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3ia2 h LEU 265 CO 0.04 0.78 0.29 0.25 0.09 0.00 0.00 178.44 179.89 3ia2 h LEU 266 N 0.51 0.85 -0.77 1.67 5.85 -1.14 -1.92 115.31 120.36 3ia2 h LEU 266 Ca 0.12 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3ia2 h LEU 266 Cb 0.43 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3ia2 h LEU 266 CO 0.01 0.76 0.36 0.00 -0.34 0.00 0.00 178.44 179.23 3ia2 h ALA 267 N 1.13 0.99 -0.58 1.25 0.00 -1.12 -1.46 119.26 119.46 3ia2 h ALA 267 Ca 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ia2 h ALA 267 Cb 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3ia2 h ALA 267 CO -0.02 0.56 0.26 0.35 0.00 0.00 0.00 179.25 180.39 3ia2 h PHE 268 N 1.08 0.85 -0.22 0.00 3.57 -1.07 -2.04 116.94 119.12 3ia2 h PHE 268 Ca 0.26 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3ia2 h PHE 268 Cb 0.13 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3ia2 h PHE 268 CO 0.01 0.67 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.56 3ia2 h LEU 269 N 0.79 0.34 -1.88 0.59 3.38 -0.98 -2.72 115.31 114.82 3ia2 h LEU 269 Ca 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ia2 h LEU 269 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ia2 h LEU 269 CO -0.02 0.50 0.00 0.29 0.09 0.00 0.00 178.44 179.30 3ia2 n LYS 270 N -4.24 2.19 0.00 1.13 5.02 -0.58 -5.11 118.16 116.56 3ia2 n LYS 270 Ca -0.00 -1.84 0.00 0.00 -2.02 0.00 0.00 58.31 54.45 3ia2 n LYS 270 Cb 0.29 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3ia2 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77