#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 0.50 0.08 0.44 2.01 -1.26 -0.89 115.64 116.52 3ia2 s THR 2 Ca 0.00 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.19 3ia2 s THR 2 Cb 0.00 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 3ia2 s THR 2 CO 0.00 -0.23 -0.05 0.72 -0.69 0.00 0.00 174.62 174.37 3ia2 s PHE 3 N -1.00 0.74 -0.20 4.92 -0.12 -0.77 -4.98 117.98 116.58 3ia2 s PHE 3 Ca -0.06 -0.96 -0.04 0.00 -0.05 0.00 0.00 56.93 55.81 3ia2 s PHE 3 Cb -0.08 -0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 3ia2 s PHE 3 CO 0.00 -0.24 -0.03 0.08 -0.05 0.00 0.00 175.22 174.99 3ia2 s VAL 4 N -3.67 3.72 0.95 -2.49 1.01 -1.26 -0.79 120.40 117.87 3ia2 s VAL 4 Ca 0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 3ia2 s VAL 4 Cb 0.06 -2.67 0.16 0.00 0.00 0.00 0.00 36.38 33.93 3ia2 s VAL 4 CO -0.07 0.44 1.10 0.00 0.00 0.00 0.00 175.10 176.58 3ia2 s ALA 5 N 1.01 1.30 0.30 5.51 0.00 0.10 -4.88 121.76 125.09 3ia2 s ALA 5 Ca 0.01 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.69 3ia2 s ALA 5 Cb -0.14 -3.12 0.68 0.00 0.00 0.00 0.00 23.12 20.54 3ia2 s ALA 5 CO 0.01 -2.57 1.80 0.87 0.00 0.00 0.00 175.76 175.86 3ia2 h LYS 6 N -1.71 0.82 -0.11 0.00 1.57 -1.94 -0.83 116.57 114.38 3ia2 h LYS 6 Ca -0.52 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3ia2 h LYS 6 Cb 1.32 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3ia2 h LYS 6 CO 0.58 0.54 0.00 -0.40 -0.57 0.00 0.00 179.45 179.60 3ia2 n ASP 7 N -4.71 1.09 0.00 0.86 5.75 -1.26 -4.89 116.55 113.39 3ia2 n ASP 7 Ca 0.22 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 3ia2 n ASP 7 Cb 0.50 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 3ia2 n ASP 7 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ia2 n GLY 8 N 1.01 0.26 3.68 6.12 0.00 -0.32 -5.05 105.19 110.90 3ia2 n GLY 8 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.04 3.14 -0.14 2.61 2.01 -1.26 -4.68 115.64 115.27 3ia2 s THR 9 Ca 0.00 0.51 -0.27 0.00 0.31 0.00 0.00 61.69 62.24 3ia2 s THR 9 Cb 0.00 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 3ia2 s THR 9 CO 0.00 -0.01 0.91 -1.58 -0.69 0.00 0.00 174.62 173.25 3ia2 s GLN 10 N 2.92 4.35 -0.14 4.92 0.74 -1.26 -0.72 119.66 130.47 3ia2 s GLN 10 Ca 0.74 1.19 0.02 0.00 0.05 0.00 0.00 55.36 57.36 3ia2 s GLN 10 Cb -0.39 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.16 3ia2 s GLN 10 CO 0.32 -0.33 -0.19 0.42 -0.55 0.00 0.00 175.29 174.96 3ia2 s ILE 11 N 2.11 2.36 0.24 -2.34 1.01 0.03 -1.18 121.20 123.44 3ia2 s ILE 11 Ca 0.43 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3ia2 s ILE 11 Cb -0.17 -1.96 -0.09 0.00 0.01 0.00 0.00 42.46 40.25 3ia2 s ILE 11 CO 0.14 0.54 0.91 -0.47 0.00 0.00 0.00 174.94 176.06 3ia2 s TYR 12 N 0.68 3.92 0.11 3.97 5.04 -1.26 -1.85 117.35 127.96 3ia2 s TYR 12 Ca -0.09 1.83 -0.12 0.00 -2.44 0.00 0.00 57.07 56.25 3ia2 s TYR 12 Cb -0.16 -2.92 0.01 0.00 0.35 0.00 0.00 41.96 39.24 3ia2 s TYR 12 CO 0.02 0.43 0.29 -0.59 -1.34 0.00 0.00 175.55 174.35 3ia2 s PHE 13 N -1.26 0.04 -0.05 4.97 -0.71 -0.07 -0.66 117.98 120.25 3ia2 s PHE 13 Ca 0.42 -0.42 0.05 0.00 -1.04 0.00 0.00 56.93 55.93 3ia2 s PHE 13 Cb -0.24 0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.62 3ia2 s PHE 13 CO 0.29 -0.63 -0.18 0.15 -1.34 0.00 0.00 175.22 173.51 3ia2 s LYS 14 N -3.85 2.44 -0.27 1.99 1.02 0.42 -0.78 119.74 120.72 3ia2 s LYS 14 Ca 0.06 -0.78 -0.01 0.00 0.02 0.00 0.00 55.97 55.26 3ia2 s LYS 14 Cb 0.03 -2.28 0.08 0.00 -0.52 0.00 0.00 37.83 35.15 3ia2 s LYS 14 CO -0.10 0.56 0.06 0.34 -0.92 0.00 0.00 175.35 175.29 3ia2 s ASP 15 N -0.59 3.74 -0.03 2.83 -1.08 -1.26 -1.52 116.67 118.77 3ia2 s ASP 15 Ca 0.09 -1.38 0.05 0.00 -0.52 0.00 0.00 52.55 50.79 3ia2 s ASP 15 Cb -0.11 -0.86 -0.03 0.00 -1.46 0.00 0.00 42.92 40.46 3ia2 s ASP 15 CO 0.01 -0.36 -0.16 0.26 0.52 0.00 0.00 175.17 175.44 3ia2 s TRP 16 N 1.63 2.64 0.00 -5.34 0.51 0.42 -4.99 118.94 113.82 3ia2 s TRP 16 Ca 0.05 -0.20 0.00 0.00 -2.12 0.00 0.00 56.10 53.83 3ia2 s TRP 16 Cb -0.17 -1.58 0.00 0.00 -0.81 0.00 0.00 33.47 30.90 3ia2 s TRP 16 CO -0.18 0.19 0.00 0.41 -0.51 0.00 0.00 176.95 176.86 3ia2 n GLY 17 N 2.13 -1.63 3.14 0.98 0.00 -1.26 -0.67 105.19 107.88 3ia2 n GLY 17 Ca -0.17 -1.31 -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 0.33 0.00 1.61 1.04 -1.24 -4.72 113.70 106.72 3ia2 s SER 18 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3ia2 s SER 18 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3ia2 s SER 18 CO 0.00 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3ia2 n GLY 19 N 0.03 0.28 3.75 7.32 0.00 -1.26 -2.94 105.19 112.37 3ia2 n GLY 19 Ca -0.14 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.18 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 4.13 0.17 1.61 1.02 -1.26 -4.10 119.74 121.31 3ia2 s LYS 20 Ca 0.00 2.57 -0.28 0.00 0.02 0.00 0.00 55.97 58.28 3ia2 s LYS 20 Cb 0.00 -3.03 -0.08 0.00 -0.52 0.00 0.00 37.83 34.21 3ia2 s LYS 20 CO 0.00 -0.63 0.88 -1.25 -0.92 0.00 0.00 175.35 173.43 3ia2 s PRO 21 N -0.49 4.70 -0.15 -1.68 0.04 -1.26 -1.64 135.00 134.52 3ia2 s PRO 21 Ca 0.63 1.34 0.01 0.00 0.04 0.00 0.00 61.00 63.02 3ia2 s PRO 21 Cb -0.48 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 30.78 3ia2 s PRO 21 CO 0.48 0.45 -0.17 0.08 0.04 0.00 0.00 177.00 177.88 3ia2 s VAL 22 N -0.82 1.77 -0.21 -0.36 1.01 0.14 -1.60 120.40 120.33 3ia2 s VAL 22 Ca 0.40 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 3ia2 s VAL 22 Cb -0.24 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 3ia2 s VAL 22 CO 0.29 0.49 -0.05 -0.22 0.00 0.00 0.00 175.10 175.61 3ia2 s LEU 23 N 1.30 2.88 -0.15 3.92 0.20 -0.27 -0.26 118.68 126.30 3ia2 s LEU 23 Ca 0.02 -0.38 -0.07 0.00 0.69 0.00 0.00 54.13 54.39 3ia2 s LEU 23 Cb -0.13 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 43.86 3ia2 s LEU 23 CO -0.10 -0.00 0.09 -0.36 -0.29 0.00 0.00 176.35 175.69 3ia2 s PHE 24 N 1.37 3.38 -0.24 5.38 0.40 0.66 -0.78 117.98 128.15 3ia2 s PHE 24 Ca 0.04 0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 3ia2 s PHE 24 Cb -0.14 -2.00 0.05 0.00 0.51 0.00 0.00 43.02 41.44 3ia2 s PHE 24 CO -0.03 0.43 -0.13 0.45 0.70 0.00 0.00 175.22 176.64 3ia2 s SER 25 N -0.32 4.09 0.89 1.36 0.15 0.96 -3.84 113.70 116.99 3ia2 s SER 25 Ca 0.10 -1.14 -0.12 0.00 0.70 0.00 0.00 55.95 55.48 3ia2 s SER 25 Cb -0.12 -1.55 0.13 0.00 -1.71 0.00 0.00 66.02 62.77 3ia2 s SER 25 CO 0.01 -0.13 1.15 -1.38 1.20 0.00 0.00 173.24 174.09 3ia2 s HIS 26 N 1.18 2.57 0.49 3.44 -3.43 -1.26 -1.51 115.29 116.77 3ia2 s HIS 26 Ca -0.04 0.81 -0.04 0.00 -0.80 0.00 0.00 55.06 54.99 3ia2 s HIS 26 Cb -0.18 -3.43 0.10 0.00 -1.43 0.00 0.00 32.58 27.65 3ia2 s HIS 26 CO -0.07 -2.26 0.68 0.41 -2.00 0.00 0.00 174.74 171.50 3ia2 n GLY 27 N -2.48 -0.04 3.78 -1.38 0.00 -1.21 -3.30 105.19 100.56 3ia2 n GLY 27 Ca 0.07 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.13 2.64 0.00 1.61 -0.00 -1.26 -3.26 118.94 116.54 3ia2 s TRP 28 Ca 0.42 1.23 0.00 0.00 -0.00 0.00 0.00 56.10 57.75 3ia2 s TRP 28 Cb -0.02 -3.94 0.00 0.00 -0.00 0.00 0.00 33.47 29.51 3ia2 s TRP 28 CO 0.29 -2.78 0.00 1.28 -0.00 0.00 0.00 176.95 175.73 3ia2 n LEU 29 N 0.40 0.00 0.00 5.86 4.77 -1.26 -4.95 117.00 121.82 3ia2 n LEU 29 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3ia2 n LEU 29 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3ia2 n LEU 29 CO 0.62 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.86 3ia2 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.20 -3.40 117.00 119.40 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 -0.08 0.00 -0.90 -1.33 0.00 0.00 177.39 175.08 3ia2 n ASP 31 N -0.49 0.00 0.27 -1.43 5.68 -1.26 -4.38 116.55 114.94 3ia2 n ASP 31 Ca 0.00 -0.63 0.18 0.00 -0.50 0.00 0.00 54.79 53.84 3ia2 n ASP 31 Cb 0.00 0.00 0.94 0.00 -1.14 0.00 0.00 41.12 40.92 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 1.76 1.49 0.00 2.12 0.00 -1.91 -1.64 119.26 121.08 3ia2 h ALA 32 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ia2 h ALA 32 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ia2 h ALA 32 CO 0.00 -0.20 -0.03 -0.44 0.00 0.00 0.00 179.25 178.58 3ia2 h ASP 33 N 0.00 0.00 0.19 0.00 5.19 -1.95 -2.39 116.42 117.45 3ia2 h ASP 33 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3ia2 h ASP 33 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 3ia2 h ASP 33 CO -0.00 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 3ia2 h MET 34 N 0.00 0.00 -0.02 3.56 -0.00 -1.71 -2.01 114.93 114.75 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 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 3ia2 h MET 34 CO 0.00 0.00 -0.22 0.91 -0.00 0.00 0.00 176.91 177.60 3ia2 n TRP 35 N -2.85 0.00 -0.33 -0.10 7.02 -0.90 -4.68 117.44 115.61 3ia2 n TRP 35 Ca -0.02 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.63 3ia2 n TRP 35 Cb 0.10 -0.00 0.36 0.00 -2.42 0.00 0.00 31.31 29.36 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 3.62 0.50 -0.24 -0.99 4.11 -1.49 0.06 114.58 120.15 3ia2 h GLU 36 Ca 0.00 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 59.20 3ia2 h GLU 36 Cb 0.88 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3ia2 h GLU 36 CO 0.00 0.33 -0.62 1.88 0.07 0.00 0.00 179.01 180.67 3ia2 h TYR 37 N 0.52 1.07 -0.41 2.06 0.05 -1.84 -1.80 116.97 116.62 3ia2 h TYR 37 Ca 0.62 -0.41 -0.09 0.00 0.05 0.00 0.00 58.73 58.90 3ia2 h TYR 37 Cb 1.19 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 3ia2 h TYR 37 CO -0.05 1.24 -0.12 1.96 -1.05 0.00 0.00 178.16 180.14 3ia2 h GLN 38 N 0.62 0.74 -0.16 4.88 7.50 -1.42 -1.23 115.11 126.03 3ia2 h GLN 38 Ca -0.01 -0.25 -0.03 0.00 0.50 0.00 0.00 58.65 58.87 3ia2 h GLN 38 Cb 1.23 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.70 3ia2 h GLN 38 CO 0.13 0.83 -0.01 0.52 -1.50 0.00 0.00 178.83 178.80 3ia2 h MET 39 N 0.67 0.29 -0.62 1.46 2.86 -0.99 -1.62 114.93 116.98 3ia2 h MET 39 Ca 0.11 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3ia2 h MET 39 Cb 0.59 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 3ia2 h MET 39 CO 0.04 0.53 0.25 1.49 1.06 0.00 0.00 176.91 180.28 3ia2 h GLU 40 N 0.03 0.93 -0.09 1.72 4.22 -1.30 -0.32 114.58 119.77 3ia2 h GLU 40 Ca 0.04 -0.17 0.02 0.00 0.08 0.00 0.00 59.36 59.34 3ia2 h GLU 40 Cb 0.41 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3ia2 h GLU 40 CO 0.01 0.79 -0.06 -0.92 -2.18 0.00 0.00 179.01 176.65 3ia2 h TYR 41 N 0.87 -0.13 0.08 0.92 3.20 -1.13 -1.93 116.97 118.85 3ia2 h TYR 41 Ca 0.21 0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.82 3ia2 h TYR 41 Cb 0.21 0.07 0.02 0.00 1.54 0.00 0.00 36.73 38.57 3ia2 h TYR 41 CO 0.01 -0.09 -1.14 -0.07 -1.64 0.00 0.00 178.16 175.23 3ia2 h LEU 42 N -0.06 0.69 -1.13 2.82 3.38 -1.20 -3.21 115.31 116.61 3ia2 h LEU 42 Ca 0.06 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 3ia2 h LEU 42 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3ia2 h LEU 42 CO -0.12 1.44 -0.18 0.28 0.09 0.00 0.00 178.44 179.95 3ia2 h SER 43 N 0.23 0.00 0.33 -0.43 0.02 -1.06 -0.75 113.55 111.89 3ia2 h SER 43 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3ia2 h SER 43 Cb 1.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.35 3ia2 h SER 43 CO 0.21 0.18 -0.03 -1.20 -1.14 0.00 0.00 176.83 174.84 3ia2 n SER 44 N -3.32 0.20 -0.89 3.07 7.64 -0.73 -3.67 113.62 115.92 3ia2 n SER 44 Ca 0.00 -0.56 0.05 0.00 1.01 0.00 0.00 58.87 59.37 3ia2 n SER 44 Cb 0.41 -0.13 0.15 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.05 1.22 -0.35 1.43 1.74 -0.34 -4.99 116.66 114.32 3ia2 n ARG 45 Ca 0.17 -2.99 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 3ia2 n ARG 45 Cb 0.22 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.68 0.81 3.53 -0.13 0.00 -1.09 -5.00 105.19 102.63 3ia2 n GLY 46 Ca 0.16 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 2.52 -0.24 1.61 2.02 -0.86 -4.30 117.35 116.10 3ia2 s TYR 47 Ca 0.00 -0.27 -0.13 0.00 -0.37 0.00 0.00 57.07 56.30 3ia2 s TYR 47 Cb 0.00 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 3ia2 s TYR 47 CO 0.00 0.54 0.27 0.50 -1.57 0.00 0.00 175.55 175.30 3ia2 s ARG 48 N -2.95 4.08 -0.09 -0.62 3.52 -0.65 -3.72 118.95 118.51 3ia2 s ARG 48 Ca 0.25 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 3ia2 s ARG 48 Cb -0.08 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.71 3ia2 s ARG 48 CO 0.14 -0.06 -0.11 0.95 -0.81 0.00 0.00 175.30 175.41 3ia2 s THR 49 N 1.41 3.31 -0.03 4.11 -4.23 0.15 0.26 115.64 120.64 3ia2 s THR 49 Ca 0.12 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 3ia2 s THR 49 Cb -0.15 -2.36 -0.00 0.00 1.34 0.00 0.00 72.50 71.33 3ia2 s THR 49 CO 0.07 0.56 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.95 3ia2 s ILE 50 N -0.25 1.08 -0.16 2.99 1.01 0.64 -0.43 121.20 126.08 3ia2 s ILE 50 Ca 0.02 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 3ia2 s ILE 50 Cb -0.13 -0.92 0.05 0.00 0.01 0.00 0.00 42.46 41.47 3ia2 s ILE 50 CO 0.03 0.32 0.39 0.00 0.00 0.00 0.00 174.94 175.67 3ia2 s ALA 51 N -0.02 -0.97 0.24 9.38 0.00 -0.57 -0.25 121.76 129.57 3ia2 s ALA 51 Ca -0.01 1.35 0.10 0.00 0.00 0.00 0.00 51.96 53.40 3ia2 s ALA 51 Cb -0.08 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3ia2 s ALA 51 CO 0.01 -0.23 -0.06 -0.59 0.00 0.00 0.00 175.76 174.88 3ia2 s PHE 52 N 1.04 2.63 -0.31 0.00 -0.71 -1.25 -0.43 117.98 118.94 3ia2 s PHE 52 Ca -0.07 -0.23 -0.20 0.00 -1.04 0.00 0.00 56.93 55.39 3ia2 s PHE 52 Cb -0.07 -1.21 -0.01 0.00 -1.21 0.00 0.00 43.02 40.53 3ia2 s PHE 52 CO -0.08 0.59 0.61 -0.51 -1.34 0.00 0.00 175.22 174.49 3ia2 s ASP 53 N -3.34 6.47 0.43 1.98 1.01 0.16 -3.87 116.67 119.51 3ia2 s ASP 53 Ca 0.29 0.36 -0.24 0.00 0.71 0.00 0.00 52.55 53.66 3ia2 s ASP 53 Cb -0.07 -2.32 -0.10 0.00 1.01 0.00 0.00 42.92 41.44 3ia2 s ASP 53 CO 0.18 -0.48 1.04 -1.14 0.21 0.00 0.00 175.17 174.98 3ia2 n ARG 54 N 5.87 1.40 -1.57 8.23 0.63 -1.26 -4.39 116.66 125.57 3ia2 n ARG 54 Ca -0.02 0.50 -0.49 0.00 -0.92 0.00 0.00 57.85 56.93 3ia2 n ARG 54 Cb 0.49 -2.10 -0.04 0.00 0.45 0.00 0.00 32.46 31.26 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 0.06 1.10 -0.27 -0.14 1.85 -1.26 -0.67 116.66 117.33 3ia2 n ARG 55 Ca 0.09 0.39 0.00 0.00 -1.00 0.00 0.00 57.85 57.33 3ia2 n ARG 55 Cb 0.40 -1.87 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 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 1.97 1.12 3.29 2.89 0.00 -0.02 -4.97 105.19 109.46 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 -2.77 1.54 0.00 1.61 0.40 0.15 -0.16 117.98 118.75 3ia2 s PHE 57 Ca 0.00 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 3ia2 s PHE 57 Cb 0.00 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.77 3ia2 s PHE 57 CO 0.00 0.24 0.00 0.41 0.70 0.00 0.00 175.22 176.57 3ia2 n GLY 58 N 0.02 3.62 0.91 4.36 0.00 -1.26 -1.75 105.19 111.10 3ia2 n GLY 58 Ca -0.11 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 2.20 -2.22 1.61 1.74 -1.26 -4.63 116.66 128.11 3ia2 n ARG 59 Ca 0.00 -1.81 -0.29 0.00 -0.77 0.00 0.00 57.85 54.98 3ia2 n ARG 59 Cb 0.00 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.57 6.04 0.92 0.55 0.01 -0.71 -4.61 113.70 114.33 3ia2 s SER 60 Ca 0.35 1.11 -0.10 0.00 1.31 0.00 0.00 55.95 58.62 3ia2 s SER 60 Cb 0.21 -2.21 0.14 0.00 0.21 0.00 0.00 66.02 64.37 3ia2 s SER 60 CO 0.30 -0.86 1.09 0.47 0.41 0.00 0.00 173.24 174.65 3ia2 n ASP 61 N -2.59 0.15 -3.48 2.44 8.00 -0.32 -4.55 116.55 116.19 3ia2 n ASP 61 Ca 0.04 0.41 -0.27 0.00 0.71 0.00 0.00 54.79 55.67 3ia2 n ASP 61 Cb 0.55 -1.46 -0.08 0.00 -0.02 0.00 0.00 41.12 40.11 3ia2 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ia2 n GLN 62 N -4.09 2.50 -2.13 -1.24 6.02 -1.26 -0.84 117.38 116.33 3ia2 n GLN 62 Ca 0.12 -4.66 -0.37 0.00 -0.01 0.00 0.00 57.00 52.08 3ia2 n GLN 62 Cb 0.52 -2.27 0.01 0.00 1.02 0.00 0.00 30.24 29.52 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 -2.39 3.42 0.28 -1.09 0.04 -1.26 -4.93 135.00 129.07 3ia2 s PRO 63 Ca 0.38 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.33 3ia2 s PRO 63 Cb 0.13 -2.21 0.39 0.00 0.04 0.00 0.00 34.50 32.85 3ia2 s PRO 63 CO -0.02 -0.85 1.64 2.35 0.04 0.00 0.00 177.00 180.16 3ia2 h TRP 64 N 1.56 0.16 -2.13 0.56 2.91 -2.01 -3.45 115.95 113.55 3ia2 h TRP 64 Ca -0.50 -0.05 -0.52 0.00 1.13 0.00 0.00 58.89 58.95 3ia2 h TRP 64 Cb 1.27 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.83 3ia2 h TRP 64 CO 0.50 0.64 -0.55 0.95 -1.03 0.00 0.00 178.44 178.95 3ia2 s THR 65 N -3.84 3.93 0.00 2.65 -4.23 -1.26 -4.70 115.64 108.19 3ia2 s THR 65 Ca -0.03 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 3ia2 s THR 65 Cb 0.13 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3ia2 s THR 65 CO 0.77 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 3ia2 n GLY 66 N -1.12 0.60 2.59 3.99 0.00 -1.26 -4.96 105.19 105.03 3ia2 n GLY 66 Ca -0.06 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 0.67 6.62 -3.95 1.61 3.02 -1.26 -4.48 115.26 117.49 3ia2 n ASN 67 Ca 0.00 -2.94 -0.09 0.00 -0.03 0.00 0.00 54.58 51.51 3ia2 n ASN 67 Cb 0.00 -1.49 -0.08 0.00 -0.61 0.00 0.00 39.78 37.60 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 1.44 0.13 0.34 6.41 1.47 -1.26 -4.57 116.67 120.63 3ia2 s ASP 68 Ca 0.52 -0.83 0.05 0.00 1.18 0.00 0.00 52.55 53.48 3ia2 s ASP 68 Cb 0.15 0.37 0.60 0.00 -0.34 0.00 0.00 42.92 43.70 3ia2 s ASP 68 CO -0.06 -0.79 1.86 1.88 0.68 0.00 0.00 175.17 178.74 3ia2 h TYR 69 N 2.70 0.50 -0.42 2.11 0.05 -1.93 -0.33 116.97 119.66 3ia2 h TYR 69 Ca -0.33 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.38 3ia2 h TYR 69 Cb 1.21 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 3ia2 h TYR 69 CO 0.42 0.53 0.21 -0.44 -1.05 0.00 0.00 178.16 177.83 3ia2 h ASP 70 N 0.45 0.54 -0.35 3.88 3.32 -1.97 0.44 116.42 122.74 3ia2 h ASP 70 Ca 0.09 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3ia2 h ASP 70 Cb 0.38 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3ia2 h ASP 70 CO 0.02 0.51 0.04 0.74 -1.72 0.00 0.00 179.24 178.82 3ia2 h THR 71 N 0.54 1.25 -0.60 0.35 2.02 -1.71 -1.76 112.91 113.00 3ia2 h THR 71 Ca 0.15 -0.88 0.07 0.00 0.77 0.00 0.00 66.41 66.51 3ia2 h THR 71 Cb 0.10 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 3ia2 h THR 71 CO -0.02 0.30 0.28 -0.26 0.37 0.00 0.00 175.52 176.18 3ia2 h PHE 72 N 0.42 0.50 -0.89 3.16 0.04 -0.87 0.49 116.94 119.79 3ia2 h PHE 72 Ca 0.10 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 3ia2 h PHE 72 Cb 0.39 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 3ia2 h PHE 72 CO 0.03 0.19 0.46 0.00 -0.60 0.00 0.00 178.31 178.39 3ia2 h ALA 73 N 1.37 1.14 -0.02 2.45 0.00 -0.76 -2.13 119.26 121.31 3ia2 h ALA 73 Ca 0.29 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3ia2 h ALA 73 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ia2 h ALA 73 CO -0.24 0.67 -0.49 -0.44 0.00 0.00 0.00 179.25 178.75 3ia2 h ASP 74 N 1.25 0.07 -0.38 0.00 3.32 -0.50 -1.79 116.42 118.38 3ia2 h ASP 74 Ca 0.31 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 3ia2 h ASP 74 Cb 0.06 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3ia2 h ASP 74 CO -0.05 0.55 0.15 0.44 -1.72 0.00 0.00 179.24 178.61 3ia2 h ASP 75 N 0.05 0.52 -0.61 6.45 3.32 -0.42 -1.23 116.42 124.50 3ia2 h ASP 75 Ca -0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3ia2 h ASP 75 Cb 0.88 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3ia2 h ASP 75 CO 0.07 0.55 0.39 0.40 -1.72 0.00 0.00 179.24 178.93 3ia2 h ILE 76 N 0.46 1.17 -0.94 0.35 2.04 -1.17 -1.55 117.51 117.86 3ia2 h ILE 76 Ca 0.13 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.69 3ia2 h ILE 76 Cb 0.20 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 3ia2 h ILE 76 CO -0.01 0.17 0.62 0.00 0.00 0.00 0.00 178.15 178.92 3ia2 h ALA 77 N 1.21 1.42 -0.13 1.87 0.00 -1.11 -0.94 119.26 121.58 3ia2 h ALA 77 Ca 0.22 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 3ia2 h ALA 77 Cb -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3ia2 h ALA 77 CO -0.04 0.46 -0.50 0.37 0.00 0.00 0.00 179.25 179.54 3ia2 h GLN 78 N 1.15 0.35 -0.24 0.00 4.15 -0.64 -0.96 115.11 118.93 3ia2 h GLN 78 Ca 0.39 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 59.49 3ia2 h GLN 78 Cb 0.08 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 3ia2 h GLN 78 CO -0.13 0.78 -0.27 1.25 -1.93 0.00 0.00 178.83 178.53 3ia2 h LEU 79 N 0.28 0.65 -0.54 -2.39 5.85 -0.80 0.31 115.31 118.67 3ia2 h LEU 79 Ca 0.01 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3ia2 h LEU 79 Cb 0.99 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3ia2 h LEU 79 CO 0.08 1.01 0.32 0.40 -0.34 0.00 0.00 178.44 179.91 3ia2 h ILE 80 N 0.32 1.17 -0.43 4.05 2.04 -1.03 -1.62 117.51 122.00 3ia2 h ILE 80 Ca 0.04 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 3ia2 h ILE 80 Cb 0.83 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3ia2 h ILE 80 CO 0.06 0.17 -0.07 -0.33 0.00 0.00 0.00 178.15 177.98 3ia2 h GLU 81 N 0.73 0.81 -1.00 2.37 4.39 -1.17 0.14 114.58 120.86 3ia2 h GLU 81 Ca 0.19 -0.30 0.12 0.00 0.34 0.00 0.00 59.36 59.72 3ia2 h GLU 81 Cb -0.01 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.51 3ia2 h GLU 81 CO -0.04 0.92 0.63 1.25 -1.16 0.00 0.00 179.01 180.61 3ia2 h HIS 82 N 0.64 1.13 -0.02 4.33 2.76 -0.59 -1.58 115.15 121.82 3ia2 h HIS 82 Ca 0.11 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3ia2 h HIS 82 Cb 0.60 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.20 3ia2 h HIS 82 CO 0.05 0.44 -0.34 1.28 -1.30 0.00 0.00 177.93 178.06 3ia2 n LEU 83 N -4.62 2.11 -3.79 0.26 4.77 -0.64 -4.98 117.00 110.11 3ia2 n LEU 83 Ca 0.19 -0.75 -0.24 0.00 -0.03 0.00 0.00 56.01 55.18 3ia2 n LEU 83 Cb 0.37 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3ia2 n LEU 83 CO 0.27 0.38 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.99 3ia2 n ASP 84 N 0.20 -1.86 -4.77 -1.43 2.03 0.40 -4.93 116.55 106.19 3ia2 n ASP 84 Ca 0.11 -0.84 -0.39 0.00 0.52 0.00 0.00 54.79 54.19 3ia2 n ASP 84 Cb 0.48 -3.85 -0.03 0.00 -0.72 0.00 0.00 41.12 37.00 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 -6.86 4.32 0.06 -2.67 1.43 -0.56 -5.03 118.68 109.38 3ia2 s LEU 85 Ca 0.16 2.31 0.05 0.00 -1.03 0.00 0.00 54.13 55.62 3ia2 s LEU 85 Cb -0.08 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 3ia2 s LEU 85 CO 0.83 -0.47 -0.14 -0.54 0.23 0.00 0.00 176.35 176.26 3ia2 s LYS 86 N -2.01 0.84 -1.41 1.70 -0.14 -1.26 -4.83 119.74 112.63 3ia2 s LYS 86 Ca 0.52 -0.91 -0.06 0.00 -1.36 0.00 0.00 55.97 54.17 3ia2 s LYS 86 Cb -0.31 -0.85 0.04 0.00 -1.68 0.00 0.00 37.83 35.03 3ia2 s LYS 86 CO 0.39 0.19 0.77 0.39 -0.76 0.00 0.00 175.35 176.34 3ia2 n GLU 87 N 1.41 -4.92 -2.76 1.68 1.02 -0.81 -4.52 120.64 111.75 3ia2 n GLU 87 Ca -0.21 0.58 -0.40 0.00 -0.02 0.00 0.00 57.16 57.12 3ia2 n GLU 87 Cb 0.54 -5.22 -0.06 0.00 -0.02 0.00 0.00 31.44 26.68 3ia2 n GLU 87 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ia2 s VAL 88 N -3.56 4.09 -0.33 2.62 -7.23 0.25 -4.32 120.40 111.91 3ia2 s VAL 88 Ca 0.27 2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 62.38 3ia2 s VAL 88 Cb -0.13 -4.31 -0.01 0.00 0.56 0.00 0.00 36.38 32.49 3ia2 s VAL 88 CO 0.83 0.48 0.21 -0.89 -0.31 0.00 0.00 175.10 175.42 3ia2 s THR 89 N -1.20 5.02 -0.06 5.32 2.01 -0.63 0.15 115.64 126.25 3ia2 s THR 89 Ca 0.41 -0.32 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 3ia2 s THR 89 Cb -0.25 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3ia2 s THR 89 CO 0.31 0.00 0.66 -0.76 -0.69 0.00 0.00 174.62 174.15 3ia2 s LEU 90 N 1.68 4.33 -0.15 4.42 1.43 -0.37 -1.11 118.68 128.91 3ia2 s LEU 90 Ca 0.05 1.15 -0.00 0.00 -1.03 0.00 0.00 54.13 54.30 3ia2 s LEU 90 Cb -0.17 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.06 3ia2 s LEU 90 CO 0.09 -0.07 -0.08 -0.69 0.23 0.00 0.00 176.35 175.83 3ia2 s VAL 91 N 0.61 1.21 -0.04 -1.59 1.01 0.04 -0.07 120.40 121.57 3ia2 s VAL 91 Ca 0.35 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3ia2 s VAL 91 Cb -0.18 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 3ia2 s VAL 91 CO 0.17 0.28 -0.23 -0.83 0.00 0.00 0.00 175.10 174.49 3ia2 s GLY 92 N 1.61 1.18 -0.08 4.51 0.00 -0.46 -0.03 107.32 114.05 3ia2 s GLY 92 Ca 0.03 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.78 3ia2 s GLY 92 CO -0.08 -0.68 -0.09 -0.12 0.00 0.00 0.00 173.10 172.13 3ia2 s PHE 93 N -0.28 2.88 0.00 1.90 5.36 -0.57 -0.45 117.98 126.82 3ia2 s PHE 93 Ca 0.01 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 3ia2 s PHE 93 Cb -0.12 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 3ia2 s PHE 93 CO 0.02 0.19 0.00 0.45 -1.46 0.00 0.00 175.22 174.41 3ia2 n SER 94 N 2.57 0.00 0.30 6.13 2.88 -0.31 0.50 113.62 125.70 3ia2 n SER 94 Ca -0.18 0.00 0.20 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 -1.85 -2.28 114.93 109.34 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 0.01 0.00 0.78 -0.00 0.00 0.00 176.91 177.70 3ia2 h GLY 96 N 1.09 0.00 1.81 -3.00 0.00 0.06 -1.29 103.07 101.73 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 -0.22 -1.33 0.00 0.00 0.00 176.54 174.99 3ia2 h GLY 97 N 1.87 0.25 0.85 4.60 0.00 -1.47 -3.08 103.07 106.10 3ia2 h GLY 97 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3ia2 h GLY 97 CO 0.00 0.16 0.03 -1.33 0.00 0.00 0.00 176.54 175.41 3ia2 h GLY 98 N 0.90 0.42 2.00 4.60 0.00 -1.38 -2.48 103.07 107.13 3ia2 h GLY 98 Ca 0.04 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 3ia2 h GLY 98 CO 0.03 0.26 -0.63 1.29 0.00 0.00 0.00 176.54 177.50 3ia2 h ASP 99 N 0.19 0.00 -0.09 0.19 3.04 -1.57 -0.14 116.42 118.03 3ia2 h ASP 99 Ca 0.07 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.70 3ia2 h ASP 99 Cb 0.33 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.62 3ia2 h ASP 99 CO 0.01 0.63 -0.51 -0.37 -2.04 0.00 0.00 179.24 176.96 3ia2 h VAL 100 N 0.00 1.30 -0.33 4.15 -1.51 -1.60 -0.18 116.25 118.09 3ia2 h VAL 100 Ca -0.01 -1.72 -0.04 0.00 -1.23 0.00 0.00 66.70 63.70 3ia2 h VAL 100 Cb 1.34 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 3ia2 h VAL 100 CO 0.08 0.55 0.06 0.00 -1.23 0.00 0.00 177.57 177.03 3ia2 h ALA 101 N 0.91 0.43 -0.02 5.19 0.00 -1.31 -2.69 119.26 121.78 3ia2 h ALA 101 Ca 0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3ia2 h ALA 101 Cb 1.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3ia2 h ALA 101 CO 0.10 0.13 -0.35 -0.09 0.00 0.00 0.00 179.25 179.04 3ia2 h ARG 102 N 0.37 0.04 0.20 0.00 9.65 -0.98 -1.73 114.38 121.92 3ia2 h ARG 102 Ca 0.10 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3ia2 h ARG 102 Cb 0.34 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 3ia2 h ARG 102 CO 0.01 0.38 -0.15 -0.92 2.80 0.00 0.00 179.97 182.09 3ia2 h TYR 103 N 0.03 -0.38 -0.78 2.20 3.20 -0.85 -0.52 116.97 119.88 3ia2 h TYR 103 Ca 0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3ia2 h TYR 103 Cb 0.64 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 3ia2 h TYR 103 CO 0.00 -0.23 0.48 0.82 -1.64 0.00 0.00 178.16 177.60 3ia2 h ILE 104 N -0.35 1.08 -0.73 1.81 2.04 -1.15 0.19 117.51 120.40 3ia2 h ILE 104 Ca -0.01 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 3ia2 h ILE 104 Cb 0.31 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3ia2 h ILE 104 CO -0.00 0.17 0.21 0.00 0.00 0.00 0.00 178.15 178.52 3ia2 h ALA 105 N 1.35 0.96 0.03 1.87 0.00 -1.09 0.33 119.26 122.71 3ia2 h ALA 105 Ca 0.32 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 3ia2 h ALA 105 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3ia2 h ALA 105 CO -0.13 0.67 -1.45 0.00 0.00 0.00 0.00 179.25 178.33 3ia2 h ARG 106 N 1.10 0.07 -0.00 0.00 3.08 -0.77 -3.40 114.38 114.47 3ia2 h ARG 106 Ca 0.23 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3ia2 h ARG 106 Cb 0.34 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3ia2 h ARG 106 CO -0.00 0.84 -0.15 0.72 -1.07 0.00 0.00 179.97 180.30 3ia2 n HIS 107 N -3.26 0.00 -0.13 3.04 8.25 0.63 -5.09 115.22 118.65 3ia2 n HIS 107 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3ia2 n HIS 107 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 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 1.00 -2.75 0.56 -1.41 0.00 0.11 -4.72 105.19 97.99 3ia2 n GLY 108 Ca 0.01 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.70 2.86 -0.17 1.61 3.41 -1.26 -4.47 113.62 114.91 3ia2 n SER 109 Ca 0.00 -3.23 0.09 0.00 -0.26 0.00 0.00 58.87 55.47 3ia2 n SER 109 Cb 0.00 -0.51 0.40 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.88 1.83 -0.25 7.33 0.00 -1.97 -1.63 119.26 125.45 3ia2 h ALA 110 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ia2 h ALA 110 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ia2 h ALA 110 CO 0.13 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.95 3ia2 n ARG 111 N -4.49 2.27 -4.35 0.00 1.74 -1.26 -4.76 116.66 105.81 3ia2 n ARG 111 Ca 0.12 -1.89 -0.34 0.00 -0.77 0.00 0.00 57.85 54.96 3ia2 n ARG 111 Cb 0.32 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.69 3.98 -0.12 1.55 1.01 -0.61 -0.59 120.40 123.93 3ia2 s VAL 112 Ca 0.35 -0.33 0.19 0.00 0.00 0.00 0.00 61.98 62.20 3ia2 s VAL 112 Cb 0.21 -2.75 -0.26 0.00 0.00 0.00 0.00 36.38 33.58 3ia2 s VAL 112 CO 0.30 0.49 0.39 0.00 0.00 0.00 0.00 175.10 176.28 3ia2 n ALA 113 N 3.56 2.11 -3.63 5.51 0.00 0.12 -4.77 120.51 123.42 3ia2 n ALA 113 Ca -0.17 -0.85 -0.03 0.00 0.00 0.00 0.00 53.44 52.38 3ia2 n ALA 113 Cb 0.52 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 -4.96 -0.35 -0.02 0.00 0.00 -1.18 -4.32 107.32 96.49 3ia2 s GLY 114 Ca -0.08 0.76 0.01 0.00 0.00 0.00 0.00 44.72 45.41 3ia2 s GLY 114 CO 0.86 0.21 -0.03 -2.27 0.00 0.00 0.00 173.10 171.86 3ia2 s LEU 115 N -2.71 1.70 -0.11 0.66 2.96 -0.38 -1.24 118.68 119.55 3ia2 s LEU 115 Ca 0.11 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3ia2 s LEU 115 Cb 0.01 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.46 3ia2 s LEU 115 CO -0.03 -0.00 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.16 3ia2 s VAL 116 N 0.33 1.46 -0.30 1.68 1.01 0.90 -0.79 120.40 124.68 3ia2 s VAL 116 Ca -0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3ia2 s VAL 116 Cb -0.07 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 35.02 3ia2 s VAL 116 CO -0.01 0.43 0.02 -0.76 0.00 0.00 0.00 175.10 174.79 3ia2 s LEU 117 N 1.00 3.94 -0.28 3.92 1.43 -0.15 -1.36 118.68 127.17 3ia2 s LEU 117 Ca -0.07 -1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 51.78 3ia2 s LEU 117 Cb -0.15 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3ia2 s LEU 117 CO -0.02 -0.26 0.09 -0.76 0.23 0.00 0.00 176.35 175.64 3ia2 s LEU 118 N 1.31 3.72 -1.75 1.79 1.43 0.40 -1.34 118.68 124.23 3ia2 s LEU 118 Ca -0.04 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.43 3ia2 s LEU 118 Cb -0.19 -1.93 0.18 0.00 0.03 0.00 0.00 46.19 44.28 3ia2 s LEU 118 CO -0.00 -0.12 0.73 0.61 0.23 0.00 0.00 176.35 177.80 3ia2 n GLY 119 N 4.92 -0.44 3.88 -3.19 0.00 -0.02 -1.16 105.19 109.19 3ia2 n GLY 119 Ca -0.15 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.25 3.32 -1.00 4.61 0.00 -1.26 -3.11 121.76 121.07 3ia2 s ALA 120 Ca 0.77 -0.23 0.23 0.00 0.00 0.00 0.00 51.96 52.73 3ia2 s ALA 120 Cb -0.43 -2.73 0.98 0.00 0.00 0.00 0.00 23.12 20.93 3ia2 s ALA 120 CO 0.95 -0.14 1.73 1.33 0.00 0.00 0.00 175.76 179.63 3ia2 n VAL 121 N -1.62 0.42 -1.98 0.00 0.24 -0.97 -4.28 118.33 110.14 3ia2 n VAL 121 Ca 0.03 0.11 -0.38 0.00 -2.04 0.00 0.00 64.34 62.05 3ia2 n VAL 121 Cb 0.54 -0.71 0.02 0.00 -1.47 0.00 0.00 33.84 32.22 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 -3.00 2.48 -0.57 3.34 -4.23 -1.26 -2.27 115.64 110.13 3ia2 s THR 122 Ca 0.11 0.38 0.24 0.00 -1.18 0.00 0.00 61.69 61.24 3ia2 s THR 122 Cb 0.15 -3.20 0.05 0.00 1.34 0.00 0.00 72.50 70.84 3ia2 s THR 122 CO 0.42 0.01 1.29 1.55 -0.54 0.00 0.00 174.62 177.36 3ia2 h PRO 123 N 1.95 0.00 -1.64 3.99 0.13 -1.82 -3.29 132.00 131.33 3ia2 h PRO 123 Ca -0.50 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 3ia2 h PRO 123 Cb 1.27 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.17 3ia2 h PRO 123 CO 0.59 0.00 0.47 -0.48 -0.23 0.00 0.00 178.00 178.36 3ia2 s LEU 124 N -4.47 -0.43 -0.13 1.56 2.34 -0.96 0.19 118.68 116.78 3ia2 s LEU 124 Ca 0.05 0.54 -0.15 0.00 0.06 0.00 0.00 54.13 54.64 3ia2 s LEU 124 Cb 0.12 1.97 -0.05 0.00 -0.56 0.00 0.00 46.19 47.68 3ia2 s LEU 124 CO 0.73 -0.35 -0.28 0.33 -1.06 0.00 0.00 176.35 175.72 3ia2 n PHE 125 N 1.03 0.00 -2.05 3.48 -0.00 -1.22 -4.68 117.46 114.02 3ia2 n PHE 125 Ca -0.12 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.05 3ia2 n PHE 125 Cb 0.57 -0.41 0.07 0.00 -0.00 0.00 0.00 39.48 39.71 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 -4.75 1.63 0.39 7.13 0.00 -1.03 -1.66 107.32 109.04 3ia2 s GLY 126 Ca -0.24 -0.73 -0.27 0.00 0.00 0.00 0.00 44.72 43.49 3ia2 s GLY 126 CO 0.35 -0.29 1.33 1.20 0.00 0.00 0.00 173.10 175.68 3ia2 s GLN 127 N -5.39 4.02 0.27 2.90 -0.21 -0.17 -4.47 119.66 116.61 3ia2 s GLN 127 Ca 0.60 2.22 0.03 0.00 0.02 0.00 0.00 55.36 58.23 3ia2 s GLN 127 Cb -0.11 -2.82 -0.06 0.00 1.00 0.00 0.00 33.01 31.03 3ia2 s GLN 127 CO 0.47 -0.47 0.04 0.15 -2.12 0.00 0.00 175.29 173.36 3ia2 s LYS 128 N -2.17 1.45 0.28 2.91 -0.14 -1.07 -4.91 119.74 116.09 3ia2 s LYS 128 Ca 0.56 -1.77 0.02 0.00 -1.36 0.00 0.00 55.97 53.42 3ia2 s LYS 128 Cb -0.39 -0.62 0.62 0.00 -1.68 0.00 0.00 37.83 35.76 3ia2 s LYS 128 CO 0.51 -0.16 1.78 -1.35 -0.76 0.00 0.00 175.35 175.37 3ia2 h PRO 129 N 2.34 0.75 -0.61 -1.68 0.11 -2.02 0.12 132.00 131.01 3ia2 h PRO 129 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ia2 h PRO 129 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ia2 h PRO 129 CO 0.65 0.49 0.00 -0.40 -0.21 0.00 0.00 178.00 178.54 3ia2 n ASP 130 N -4.77 3.56 -3.11 -2.05 5.75 -1.26 -4.45 116.55 110.22 3ia2 n ASP 130 Ca 0.20 -2.16 -0.17 0.00 -0.01 0.00 0.00 54.79 52.65 3ia2 n ASP 130 Cb 0.47 -0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 40.09 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 1.09 0.32 0.31 2.11 9.36 0.42 -4.92 117.16 125.85 3ia2 n TYR 131 Ca 0.21 -3.66 0.20 0.00 3.32 0.00 0.00 57.90 57.97 3ia2 n TYR 131 Cb 0.62 -0.41 1.06 0.00 -0.63 0.00 0.00 39.34 39.98 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 3.00 0.00 0.00 2.98 0.13 -1.76 -1.87 132.00 134.49 3ia2 h PRO 132 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3ia2 h PRO 132 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3ia2 h PRO 132 CO 0.50 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.27 3ia2 n GLN 133 N -2.94 0.05 -1.11 0.86 0.00 -1.26 -4.81 117.38 108.18 3ia2 n GLN 133 Ca -0.02 0.18 -0.29 0.00 0.00 0.00 0.00 57.00 56.87 3ia2 n GLN 133 Cb 0.09 -1.58 0.20 0.00 0.00 0.00 0.00 30.24 28.95 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 -3.13 1.56 0.04 2.61 0.00 -0.72 -4.96 107.32 102.71 3ia2 s GLY 134 Ca 0.09 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 3ia2 s GLY 134 CO 0.41 0.18 1.30 0.14 0.00 0.00 0.00 173.10 175.13 3ia2 s VAL 135 N -2.95 3.81 0.37 1.40 1.01 -0.66 -4.31 120.40 119.06 3ia2 s VAL 135 Ca 0.67 1.25 -0.27 0.00 0.00 0.00 0.00 61.98 63.63 3ia2 s VAL 135 Cb -0.17 -3.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 3ia2 s VAL 135 CO 0.58 0.05 1.33 -2.65 0.00 0.00 0.00 175.10 174.40 3ia2 n PRO 136 N 4.57 2.19 0.28 2.72 -0.02 -1.26 -1.00 135.00 142.49 3ia2 n PRO 136 Ca 0.11 0.77 0.15 0.00 -2.02 0.00 0.00 63.50 62.52 3ia2 n PRO 136 Cb 0.45 -2.41 0.83 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.52 0.00 -1.64 2.45 3.38 -1.93 -1.91 115.31 118.18 3ia2 h LEU 137 Ca -0.47 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3ia2 h LEU 137 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 3ia2 h LEU 137 CO 0.62 0.07 -0.11 -2.24 0.09 0.00 0.00 178.44 176.87 3ia2 h ASP 138 N 0.00 0.00 -0.37 -0.43 3.04 -1.98 0.40 116.42 117.08 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 0.28 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.55 3ia2 h ASP 138 CO 0.01 0.11 0.05 0.58 -2.04 0.00 0.00 179.24 177.95 3ia2 h VAL 139 N 0.00 1.24 -0.11 4.15 2.07 -1.70 -2.00 116.25 119.89 3ia2 h VAL 139 Ca -0.00 -0.86 -0.16 0.00 0.82 0.00 0.00 66.70 66.50 3ia2 h VAL 139 Cb 0.48 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3ia2 h VAL 139 CO 0.01 0.29 -0.61 -0.26 0.02 0.00 0.00 177.57 177.03 3ia2 h PHE 140 N 0.45 0.50 -0.96 1.57 0.04 -1.47 -2.27 116.94 114.81 3ia2 h PHE 140 Ca 0.11 -0.19 0.06 0.00 2.80 0.00 0.00 57.97 60.75 3ia2 h PHE 140 Cb 0.37 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.37 3ia2 h PHE 140 CO 0.03 0.89 0.62 0.00 -0.60 0.00 0.00 178.31 179.25 3ia2 h ALA 141 N 1.06 1.45 -0.18 2.45 0.00 -0.84 -1.57 119.26 121.63 3ia2 h ALA 141 Ca -0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3ia2 h ALA 141 Cb 1.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3ia2 h ALA 141 CO 0.10 0.42 -0.53 0.00 0.00 0.00 0.00 179.25 179.23 3ia2 h ARG 142 N 1.12 0.51 -0.22 0.00 3.08 -1.08 -1.51 114.38 116.28 3ia2 h ARG 142 Ca 0.41 -0.32 0.06 0.00 0.07 0.00 0.00 59.98 60.20 3ia2 h ARG 142 Cb 0.16 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 3ia2 h ARG 142 CO -0.15 0.92 -0.26 0.74 -1.07 0.00 0.00 179.97 180.14 3ia2 h PHE 143 N 0.40 -0.71 -0.35 3.04 -1.00 -0.77 -1.36 116.94 116.19 3ia2 h PHE 143 Ca 0.01 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3ia2 h PHE 143 Cb 1.06 0.35 -0.02 0.00 3.61 0.00 0.00 35.95 40.95 3ia2 h PHE 143 CO 0.04 -0.34 0.23 0.87 -1.61 0.00 0.00 178.31 177.50 3ia2 h LYS 144 N -0.28 0.46 -0.68 1.51 1.57 -1.07 0.10 116.57 118.17 3ia2 h LYS 144 Ca 0.13 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 3ia2 h LYS 144 Cb 0.48 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3ia2 h LYS 144 CO -0.38 0.30 0.35 1.15 -0.57 0.00 0.00 179.45 180.31 3ia2 h THR 145 N 0.47 0.90 -0.09 -0.16 2.02 -1.01 -0.48 112.91 114.57 3ia2 h THR 145 Ca 0.13 -0.22 -0.21 0.00 0.77 0.00 0.00 66.41 66.88 3ia2 h THR 145 Cb -0.05 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 3ia2 h THR 145 CO -0.03 0.11 -0.80 -0.33 0.37 0.00 0.00 175.52 174.85 3ia2 h GLU 146 N 0.63 0.55 -0.47 6.66 4.39 -0.90 -2.98 114.58 122.46 3ia2 h GLU 146 Ca 0.32 -0.48 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 3ia2 h GLU 146 Cb 0.28 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3ia2 h GLU 146 CO -0.23 1.10 0.12 -0.07 -1.16 0.00 0.00 179.01 178.78 3ia2 h LEU 147 N 0.36 0.65 -0.04 1.33 3.38 -0.64 -0.99 115.31 119.36 3ia2 h LEU 147 Ca -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ia2 h LEU 147 Cb 1.40 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3ia2 h LEU 147 CO 0.15 0.64 -0.01 0.18 0.09 0.00 0.00 178.44 179.48 3ia2 n LEU 148 N -4.31 0.08 -0.14 1.67 4.77 -0.22 -2.88 117.00 115.97 3ia2 n LEU 148 Ca 0.03 0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.87 3ia2 n LEU 148 Cb 0.20 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 3ia2 n LEU 148 CO 0.39 0.01 -1.45 0.29 -1.33 0.00 0.00 177.39 175.30 3ia2 n LYS 149 N -1.13 0.59 -2.98 3.23 5.02 -0.89 -4.96 118.16 117.05 3ia2 n LYS 149 Ca 0.18 0.25 -0.02 0.00 -2.02 0.00 0.00 58.31 56.70 3ia2 n LYS 149 Cb 0.20 -1.49 -0.00 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 -7.44 -1.41 0.31 4.39 -1.08 -0.43 -5.02 116.67 105.99 3ia2 s ASP 150 Ca -0.39 -1.33 0.10 0.00 -0.52 0.00 0.00 52.55 50.42 3ia2 s ASP 150 Cb 0.15 1.88 0.51 0.00 -1.46 0.00 0.00 42.92 44.00 3ia2 s ASP 150 CO 0.50 -0.11 1.71 0.08 0.52 0.00 0.00 175.17 177.87 3ia2 h ARG 151 N 5.93 0.07 -0.32 4.34 0.11 -1.69 -2.11 114.38 120.72 3ia2 h ARG 151 Ca 0.06 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3ia2 h ARG 151 Cb 1.14 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 3ia2 h ARG 151 CO 0.06 0.53 0.20 0.00 0.10 0.00 0.00 179.97 180.86 3ia2 h ALA 152 N 1.46 0.40 -0.05 0.08 0.00 -1.94 -0.46 119.26 118.75 3ia2 h ALA 152 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3ia2 h ALA 152 Cb 0.86 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ia2 h ALA 152 CO 0.07 -0.12 -0.62 0.37 0.00 0.00 0.00 179.25 178.95 3ia2 h GLN 153 N 0.42 0.18 -0.21 0.00 5.75 -1.95 -2.12 115.11 117.17 3ia2 h GLN 153 Ca 0.11 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3ia2 h GLN 153 Cb -0.02 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3ia2 h GLN 153 CO -0.02 0.74 0.08 0.35 -2.65 0.00 0.00 178.83 177.33 3ia2 h PHE 154 N 0.13 0.15 -0.26 3.99 3.57 -1.01 -0.06 116.94 123.45 3ia2 h PHE 154 Ca -0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3ia2 h PHE 154 Cb 1.13 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 3ia2 h PHE 154 CO 0.02 0.08 0.15 0.82 -2.23 0.00 0.00 178.31 177.14 3ia2 h ILE 155 N 0.19 1.02 -0.24 1.41 2.04 -0.95 0.33 117.51 121.31 3ia2 h ILE 155 Ca 0.09 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3ia2 h ILE 155 Cb 0.05 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 3ia2 h ILE 155 CO -0.08 0.06 -0.07 0.28 0.00 0.00 0.00 178.15 178.34 3ia2 h SER 156 N 0.30 -0.24 0.02 1.72 0.02 -1.11 -1.58 113.55 112.68 3ia2 h SER 156 Ca 0.10 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3ia2 h SER 156 Cb 0.01 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3ia2 h SER 156 CO -0.05 -0.09 -0.12 0.44 -1.14 0.00 0.00 176.83 175.87 3ia2 h ASP 157 N -0.01 0.21 0.49 3.07 3.32 -0.77 -2.84 116.42 119.88 3ia2 h ASP 157 Ca 0.12 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3ia2 h ASP 157 Cb 0.19 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3ia2 h ASP 157 CO -0.25 0.35 -0.23 0.15 -1.72 0.00 0.00 179.24 177.53 3ia2 h PHE 158 N 0.21 0.00 -0.79 4.55 3.04 0.08 -3.06 116.94 120.97 3ia2 h PHE 158 Ca 0.04 0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.17 3ia2 h PHE 158 Cb 0.35 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.74 3ia2 h PHE 158 CO 0.00 0.23 0.26 -0.91 -2.02 0.00 0.00 178.31 175.88 3ia2 h ASN 159 N 0.00 0.15 0.98 0.41 2.35 -1.22 -1.34 115.58 116.92 3ia2 h ASN 159 Ca -0.00 0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3ia2 h ASN 159 Cb 0.54 0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.08 3ia2 h ASN 159 CO 0.03 -0.00 -0.47 0.00 -1.65 0.00 0.00 177.43 175.34 3ia2 h ALA 160 N 1.63 -1.32 0.00 -0.83 0.00 -1.73 -1.31 119.26 115.70 3ia2 h ALA 160 Ca 0.46 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3ia2 h ALA 160 Cb 0.80 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3ia2 h ALA 160 CO -0.50 -1.24 -0.39 -1.00 0.00 0.00 0.00 179.25 176.12 3ia2 h PRO 161 N -1.33 0.00 -0.13 0.00 0.13 -1.75 0.14 132.00 129.07 3ia2 h PRO 161 Ca -0.14 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3ia2 h PRO 161 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3ia2 h PRO 161 CO 0.22 0.39 0.06 0.35 -0.23 0.00 0.00 178.00 178.79 3ia2 h PHE 162 N 0.00 0.11 -0.01 1.56 3.04 -1.08 -3.07 116.94 117.49 3ia2 h PHE 162 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3ia2 h PHE 162 Cb 0.70 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.18 3ia2 h PHE 162 CO 0.00 0.07 -0.41 0.66 -2.02 0.00 0.00 178.31 176.60 3ia2 n TYR 163 N -5.04 0.00 -1.07 0.41 4.01 -0.51 -1.20 117.16 113.77 3ia2 n TYR 163 Ca -0.04 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.67 3ia2 n TYR 163 Cb 0.04 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 38.99 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 1.39 0.57 0.28 2.72 0.00 0.20 -4.73 105.19 105.61 3ia2 n GLY 164 Ca 0.10 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.38 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 1.06 0.00 -0.61 2.04 -1.04 0.43 117.51 119.39 3ia2 h ILE 165 Ca -0.05 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ia2 h ILE 165 Cb 0.17 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3ia2 h ILE 165 CO 0.07 0.06 0.00 -0.46 0.00 0.00 0.00 178.15 177.82 3ia2 n ASN 166 N -4.49 0.00 -0.39 1.72 6.94 -1.22 -1.66 115.26 116.16 3ia2 n ASN 166 Ca -0.00 0.08 0.04 0.00 -0.02 0.00 0.00 54.58 54.68 3ia2 n ASN 166 Cb 0.09 -0.31 0.08 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.31 1.79 0.00 -3.83 4.76 0.07 -4.99 118.16 114.65 3ia2 n LYS 167 Ca 0.08 -1.51 0.00 0.00 -2.87 0.00 0.00 58.31 54.01 3ia2 n LYS 167 Cb 0.15 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 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 0.29 0.61 3.68 0.72 0.00 -0.67 -5.07 105.19 104.75 3ia2 n GLY 168 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 3ia2 n GLY 168 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ia2 n GLN 169 N -1.40 2.21 -3.03 1.61 -0.06 -0.73 -4.93 117.38 111.06 3ia2 n GLN 169 Ca 0.00 0.79 -0.41 0.00 -2.00 0.00 0.00 57.00 55.38 3ia2 n GLN 169 Cb 0.00 -2.54 -0.06 0.00 -4.06 0.00 0.00 30.24 23.58 3ia2 n GLN 169 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3ia2 s VAL 170 N 0.62 4.90 -0.03 1.69 1.01 -1.26 -4.31 120.40 123.02 3ia2 s VAL 170 Ca 0.75 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.90 3ia2 s VAL 170 Cb -0.64 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 31.73 3ia2 s VAL 170 CO 0.41 -0.09 0.05 -0.69 0.00 0.00 0.00 175.10 174.78 3ia2 s VAL 171 N 2.70 -0.05 0.69 2.92 1.01 -1.26 -5.02 120.40 121.39 3ia2 s VAL 171 Ca 0.29 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.29 3ia2 s VAL 171 Cb -0.15 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.14 3ia2 s VAL 171 CO 0.10 0.07 1.15 -0.94 0.00 0.00 0.00 175.10 175.48 3ia2 s SER 172 N 0.87 4.73 0.41 3.32 1.04 -1.26 -4.91 113.70 117.90 3ia2 s SER 172 Ca -0.07 2.16 0.11 0.00 0.48 0.00 0.00 55.95 58.63 3ia2 s SER 172 Cb -0.10 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.33 3ia2 s SER 172 CO -0.03 -1.89 1.96 1.56 0.98 0.00 0.00 173.24 175.82 3ia2 h GLN 173 N -0.07 0.18 -0.32 4.02 1.08 -2.01 -2.79 115.11 115.19 3ia2 h GLN 173 Ca -0.47 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 56.70 3ia2 h GLN 173 Cb 1.27 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.65 3ia2 h GLN 173 CO 0.52 0.30 0.20 0.78 -0.95 0.00 0.00 178.83 179.68 3ia2 h GLY 174 N 0.62 0.45 1.01 3.46 0.00 -1.99 0.84 103.07 107.46 3ia2 h GLY 174 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3ia2 h GLY 174 CO 0.02 0.14 0.46 -2.08 0.00 0.00 0.00 176.54 175.08 3ia2 h VAL 175 N 0.41 1.20 -0.50 4.60 2.07 -1.87 -0.38 116.25 121.77 3ia2 h VAL 175 Ca 0.12 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3ia2 h VAL 175 Cb -0.02 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 3ia2 h VAL 175 CO -0.05 0.19 -0.01 1.56 0.02 0.00 0.00 177.57 179.29 3ia2 h GLN 176 N 0.98 0.85 -0.34 1.57 4.20 -1.20 -0.57 115.11 120.60 3ia2 h GLN 176 Ca 0.26 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3ia2 h GLN 176 Cb -0.08 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3ia2 h GLN 176 CO -0.05 0.86 0.03 1.15 -0.67 0.00 0.00 178.83 180.14 3ia2 h THR 177 N 0.79 1.25 -0.72 -0.54 2.02 -0.49 -2.22 112.91 113.00 3ia2 h THR 177 Ca 0.15 -0.90 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 3ia2 h THR 177 Cb 0.49 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 3ia2 h THR 177 CO 0.02 0.30 0.18 -0.61 0.37 0.00 0.00 175.52 175.78 3ia2 h GLN 178 N 0.40 1.14 -0.30 6.66 4.15 -0.85 -0.75 115.11 125.55 3ia2 h GLN 178 Ca 0.10 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 59.25 3ia2 h GLN 178 Cb 0.41 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 3ia2 h GLN 178 CO 0.01 1.00 0.19 1.15 -1.93 0.00 0.00 178.83 179.26 3ia2 h THR 179 N 1.08 1.07 -0.39 2.39 2.02 -1.00 -1.49 112.91 116.59 3ia2 h THR 179 Ca 0.23 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 3ia2 h THR 179 Cb 0.37 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3ia2 h THR 179 CO 0.00 0.07 0.15 0.25 0.37 0.00 0.00 175.52 176.36 3ia2 h LEU 180 N 0.40 0.55 -0.30 2.58 5.85 -1.18 -2.02 115.31 121.19 3ia2 h LEU 180 Ca 0.11 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3ia2 h LEU 180 Cb -0.04 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3ia2 h LEU 180 CO -0.03 0.58 0.04 -0.61 -0.34 0.00 0.00 178.44 178.08 3ia2 h GLN 181 N 0.49 0.14 -0.41 1.25 4.15 -0.89 -1.37 115.11 118.47 3ia2 h GLN 181 Ca 0.13 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 3ia2 h GLN 181 Cb 0.21 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3ia2 h GLN 181 CO -0.01 0.09 0.18 0.82 -1.93 0.00 0.00 178.83 177.98 3ia2 h ILE 182 N 0.14 1.19 -0.50 2.39 2.04 -1.22 -2.94 117.51 118.61 3ia2 h ILE 182 Ca 0.14 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3ia2 h ILE 182 Cb 0.16 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3ia2 h ILE 182 CO -0.20 0.21 0.29 0.00 0.00 0.00 0.00 178.15 178.46 3ia2 h ALA 183 N 1.02 1.58 0.00 1.87 0.00 -1.01 -1.87 119.26 120.85 3ia2 h ALA 183 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ia2 h ALA 183 Cb 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ia2 h ALA 183 CO -0.01 0.37 -0.01 -0.07 0.00 0.00 0.00 179.25 179.52 3ia2 h LEU 184 N 0.69 0.00 -1.55 0.00 3.38 -1.07 -2.36 115.31 114.40 3ia2 h LEU 184 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3ia2 h LEU 184 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ia2 h LEU 184 CO -0.03 0.01 -0.24 -0.07 0.09 0.00 0.00 178.44 178.21 3ia2 h LEU 185 N 0.00 0.00-10.33 1.67 3.38 -1.31 -3.46 115.31 105.26 3ia2 h LEU 185 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3ia2 h LEU 185 Cb 0.50 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.39 3ia2 h LEU 185 CO 0.00 0.24 0.29 0.00 0.09 0.00 0.00 178.44 179.05 3ia2 s ALA 186 N -4.26 1.91 0.18 1.53 0.00 -0.89 -4.57 121.76 115.66 3ia2 s ALA 186 Ca -0.03 0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.69 3ia2 s ALA 186 Cb 0.14 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.97 3ia2 s ALA 186 CO 0.67 -2.05 1.05 0.45 0.00 0.00 0.00 175.76 175.88 3ia2 s SER 187 N -3.45 7.37 0.21 0.00 0.15 0.77 -4.96 113.70 113.79 3ia2 s SER 187 Ca 0.62 2.03 -0.10 0.00 0.70 0.00 0.00 55.95 59.20 3ia2 s SER 187 Cb -0.17 -2.60 0.21 0.00 -1.71 0.00 0.00 66.02 61.74 3ia2 s SER 187 CO 0.56 -0.12 1.85 0.25 1.20 0.00 0.00 173.24 176.98 3ia2 h LEU 188 N 4.93 0.72 -0.17 3.45 5.85 -1.95 -0.49 115.31 127.65 3ia2 h LEU 188 Ca -0.44 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3ia2 h LEU 188 Cb 1.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3ia2 h LEU 188 CO 0.71 0.49 0.07 0.50 -0.34 0.00 0.00 178.44 179.88 3ia2 h LYS 189 N 0.86 0.25 -0.75 1.25 1.63 -1.96 -1.92 116.57 115.92 3ia2 h LYS 189 Ca 0.29 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.01 3ia2 h LYS 189 Cb 0.04 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 3ia2 h LYS 189 CO -0.12 0.31 0.31 0.00 -3.45 0.00 0.00 179.45 176.50 3ia2 h ALA 190 N 0.92 1.14 -0.34 5.00 0.00 -1.84 0.55 119.26 124.69 3ia2 h ALA 190 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ia2 h ALA 190 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ia2 h ALA 190 CO -0.01 0.63 0.18 1.15 0.00 0.00 0.00 179.25 181.20 3ia2 h THR 191 N 1.08 1.15 -0.21 0.00 2.02 -0.86 -0.56 112.91 115.53 3ia2 h THR 191 Ca 0.25 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 3ia2 h THR 191 Cb 0.18 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3ia2 h THR 191 CO -0.02 0.15 -0.39 0.58 0.37 0.00 0.00 175.52 176.21 3ia2 h VAL 192 N 0.42 1.32 -0.75 3.16 2.07 -1.18 -3.20 116.25 118.10 3ia2 h VAL 192 Ca 0.12 -1.62 0.04 0.00 0.82 0.00 0.00 66.70 66.07 3ia2 h VAL 192 Cb 0.08 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3ia2 h VAL 192 CO -0.02 0.50 0.49 0.44 0.02 0.00 0.00 177.57 179.01 3ia2 h ASP 193 N 0.32 0.76 -0.10 0.57 5.19 -0.76 -2.00 116.42 120.39 3ia2 h ASP 193 Ca 0.01 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3ia2 h ASP 193 Cb 0.99 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 3ia2 h ASP 193 CO 0.09 0.51 -0.05 0.00 -3.12 0.00 0.00 179.24 176.67 3ia2 h VAL 195 N 0.34 0.97 -0.44 0.00 2.07 -1.36 0.81 116.25 118.64 3ia2 h VAL 195 Ca 0.08 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.60 3ia2 h VAL 195 Cb 0.31 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3ia2 h VAL 195 CO 0.01 0.03 0.14 0.74 0.02 0.00 0.00 177.57 178.52 3ia2 h THR 196 N 0.17 0.84 0.47 2.57 2.02 -1.36 0.19 112.91 117.81 3ia2 h THR 196 Ca 0.08 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3ia2 h THR 196 Cb 0.04 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3ia2 h THR 196 CO -0.07 0.06 -0.31 0.00 0.37 0.00 0.00 175.52 175.56 3ia2 h ALA 197 N 1.30 -0.76 0.00 6.16 0.00 -0.81 -2.65 119.26 122.50 3ia2 h ALA 197 Ca 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ia2 h ALA 197 Cb 0.22 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ia2 h ALA 197 CO -0.22 -0.94 -0.13 0.27 0.00 0.00 0.00 179.25 178.22 3ia2 h PHE 198 N -0.75 0.00 -0.16 0.00 -5.15 -0.75 -2.42 116.94 107.71 3ia2 h PHE 198 Ca -0.05 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.56 3ia2 h PHE 198 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.79 3ia2 h PHE 198 CO -0.11 0.13 -0.55 0.00 -2.00 0.00 0.00 178.31 175.78 3ia2 h ALA 199 N 1.87 0.74 0.00 12.09 0.00 -0.90 -3.39 119.26 129.66 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 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ia2 h ALA 199 CO 0.02 0.69 0.00 0.39 0.00 0.00 0.00 179.25 180.35 3ia2 n GLU 200 N -3.95 2.88 -2.83 0.00 1.02 -1.01 -2.47 120.64 114.29 3ia2 n GLU 200 Ca -0.03 -0.22 -0.41 0.00 -0.02 0.00 0.00 57.16 56.48 3ia2 n GLU 200 Cb 0.60 -0.70 -0.04 0.00 -0.02 0.00 0.00 31.44 31.28 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 -0.47 4.92 -0.35 2.62 2.01 -0.92 -5.02 115.64 118.44 3ia2 s THR 201 Ca 0.00 1.82 -0.13 0.00 0.31 0.00 0.00 61.69 63.69 3ia2 s THR 201 Cb 0.00 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 3ia2 s THR 201 CO 0.00 0.17 0.24 -0.62 -0.69 0.00 0.00 174.62 173.72 3ia2 s ASP 202 N 0.96 6.03 -0.01 3.53 -1.08 -1.26 -4.49 116.67 120.35 3ia2 s ASP 202 Ca 0.46 -0.51 0.21 0.00 -0.52 0.00 0.00 52.55 52.19 3ia2 s ASP 202 Cb -0.19 -2.13 0.62 0.00 -1.46 0.00 0.00 42.92 39.76 3ia2 s ASP 202 CO 0.23 -0.27 1.52 0.49 0.52 0.00 0.00 175.17 177.66 3ia2 n PHE 203 N 5.10 0.97 -0.30 -5.34 3.72 0.13 -4.48 117.46 117.25 3ia2 n PHE 203 Ca -0.12 -0.47 -0.04 0.00 -0.05 0.00 0.00 57.45 56.76 3ia2 n PHE 203 Cb 0.49 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.09 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 4.07 1.11 -0.90 -1.08 3.08 -1.91 -0.71 114.38 118.04 3ia2 h ARG 204 Ca 0.00 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 59.99 3ia2 h ARG 204 Cb 0.96 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.73 3ia2 h ARG 204 CO 0.01 0.79 0.59 -1.35 -1.07 0.00 0.00 179.97 178.94 3ia2 h PRO 205 N 1.12 1.05 -0.80 0.04 0.11 -1.93 -2.52 132.00 129.07 3ia2 h PRO 205 Ca 0.29 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 3ia2 h PRO 205 Cb -0.03 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 30.80 3ia2 h PRO 205 CO -0.05 0.69 0.48 -0.44 -0.21 0.00 0.00 178.00 178.47 3ia2 h ASP 206 N 1.08 0.97 -0.79 -2.05 5.19 -1.47 -2.84 116.42 116.51 3ia2 h ASP 206 Ca 0.37 -0.07 0.10 0.00 -0.62 0.00 0.00 57.03 56.82 3ia2 h ASP 206 Cb 0.11 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.32 3ia2 h ASP 206 CO -0.13 0.75 0.52 0.24 -3.12 0.00 0.00 179.24 177.50 3ia2 h MET 207 N 1.10 0.68 0.00 3.56 2.86 -0.81 -0.12 114.93 122.19 3ia2 h MET 207 Ca 0.29 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3ia2 h MET 207 Cb -0.03 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.48 3ia2 h MET 207 CO -0.05 0.45 0.00 0.00 1.06 0.00 0.00 176.91 178.36 3ia2 h ALA 208 N 1.61 1.00 -0.02 6.32 0.00 -1.50 -2.93 119.26 123.74 3ia2 h ALA 208 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3ia2 h ALA 208 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ia2 h ALA 208 CO -0.14 0.00 -0.15 1.63 0.00 0.00 0.00 179.25 180.59 3ia2 n LYS 209 N -3.00 1.65 -2.74 0.00 5.02 -0.07 -4.83 118.16 114.19 3ia2 n LYS 209 Ca 0.01 -1.22 -0.43 0.00 -2.02 0.00 0.00 58.31 54.66 3ia2 n LYS 209 Cb 0.33 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.19 4.22 -0.31 -0.18 1.01 -1.11 -4.86 121.20 117.78 3ia2 s ILE 210 Ca 0.28 0.46 0.07 0.00 0.00 0.00 0.00 60.65 61.47 3ia2 s ILE 210 Cb 0.20 -4.63 0.46 0.00 0.01 0.00 0.00 42.46 38.50 3ia2 s ILE 210 CO 0.41 -1.25 1.35 -0.90 0.00 0.00 0.00 174.94 174.55 3ia2 n ASP 211 N 7.92 3.85 -4.35 3.58 5.75 -1.26 -4.54 116.55 127.50 3ia2 n ASP 211 Ca 0.04 -3.80 -0.18 0.00 -0.01 0.00 0.00 54.79 50.83 3ia2 n ASP 211 Cb 0.48 -0.52 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 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 -3.98 1.66 0.24 2.12 -7.23 -1.26 -5.11 120.40 106.84 3ia2 s VAL 212 Ca 0.48 -2.19 -0.31 0.00 -1.81 0.00 0.00 61.98 58.15 3ia2 s VAL 212 Cb 0.41 -2.08 -0.13 0.00 0.56 0.00 0.00 36.38 35.14 3ia2 s VAL 212 CO -0.00 -0.57 1.45 -2.65 -0.31 0.00 0.00 175.10 173.02 3ia2 n PRO 213 N -0.39 2.12 -4.25 4.82 -0.02 -1.26 -4.78 135.00 131.24 3ia2 n PRO 213 Ca -0.08 0.76 -0.18 0.00 -2.02 0.00 0.00 63.50 61.98 3ia2 n PRO 213 Cb 0.61 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.07 0.56 -0.15 3.45 2.01 -1.26 -1.25 115.64 119.07 3ia2 s THR 214 Ca 0.69 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.44 3ia2 s THR 214 Cb -0.64 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 71.39 3ia2 s THR 214 CO 0.48 0.18 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.17 3ia2 s LEU 215 N 0.09 2.01 -0.23 4.42 2.96 0.03 -0.65 118.68 127.30 3ia2 s LEU 215 Ca -0.01 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 3ia2 s LEU 215 Cb -0.06 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3ia2 s LEU 215 CO -0.00 0.03 0.07 -0.69 -1.32 0.00 0.00 176.35 174.44 3ia2 s VAL 216 N 1.04 4.40 -0.05 1.68 1.01 0.11 -0.98 120.40 127.61 3ia2 s VAL 216 Ca -0.02 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.87 3ia2 s VAL 216 Cb -0.14 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3ia2 s VAL 216 CO -0.06 0.36 -0.25 -0.63 0.00 0.00 0.00 175.10 174.53 3ia2 s ILE 217 N 1.36 2.02 -0.09 2.22 1.01 -0.45 -0.29 121.20 126.98 3ia2 s ILE 217 Ca 0.05 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 3ia2 s ILE 217 Cb -0.15 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.66 3ia2 s ILE 217 CO 0.04 0.56 0.41 -2.28 0.00 0.00 0.00 174.94 173.67 3ia2 s HIS 218 N -0.23 -0.38 -0.03 3.97 2.46 -0.88 -0.84 115.29 119.35 3ia2 s HIS 218 Ca -0.01 0.81 -0.21 0.00 0.47 0.00 0.00 55.06 56.11 3ia2 s HIS 218 Cb -0.13 0.16 -0.05 0.00 -0.13 0.00 0.00 32.58 32.44 3ia2 s HIS 218 CO 0.03 -0.33 0.62 0.20 -2.47 0.00 0.00 174.74 172.79 3ia2 s GLY 219 N -0.52 2.59 0.00 1.59 0.00 -1.26 -1.36 107.32 108.36 3ia2 s GLY 219 Ca -0.06 0.04 0.09 0.00 0.00 0.00 0.00 44.72 44.79 3ia2 s GLY 219 CO 0.03 0.90 1.24 2.09 0.00 0.00 0.00 173.10 177.36 3ia2 n ASP 220 N 3.16 1.12 -1.07 1.64 5.68 -1.10 -2.58 116.55 123.39 3ia2 n ASP 220 Ca -0.05 -1.92 0.08 0.00 -0.50 0.00 0.00 54.79 52.40 3ia2 n ASP 220 Cb 0.51 -0.13 0.26 0.00 -1.14 0.00 0.00 41.12 40.62 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 0.87 2.93 3.63 6.12 0.00 -0.33 -4.73 105.19 113.67 3ia2 n GLY 221 Ca 0.09 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.13 6.12 0.03 1.61 -1.08 -1.06 -4.51 116.67 116.65 3ia2 s ASP 222 Ca 0.39 1.87 0.25 0.00 -0.52 0.00 0.00 52.55 54.54 3ia2 s ASP 222 Cb 0.24 -2.53 0.51 0.00 -1.46 0.00 0.00 42.92 39.68 3ia2 s ASP 222 CO 0.20 -1.43 1.42 0.00 0.52 0.00 0.00 175.17 175.88 3ia2 n GLN 223 N 7.98 0.08 -0.12 4.34 6.02 -1.26 -4.33 117.38 130.08 3ia2 n GLN 223 Ca 0.22 0.02 -0.24 0.00 -0.01 0.00 0.00 57.00 56.99 3ia2 n GLN 223 Cb 0.44 -1.55 -0.08 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.65 1.51 -3.95 5.09 2.08 -1.26 -4.84 119.36 116.33 3ia2 n ILE 224 Ca 0.05 -0.23 -0.32 0.00 0.56 0.00 0.00 62.75 62.80 3ia2 n ILE 224 Cb 0.36 -2.01 -0.14 0.00 -0.75 0.00 0.00 39.64 37.10 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 -2.62 2.56 -0.02 1.39 1.01 -1.26 -5.08 120.40 116.38 3ia2 s VAL 225 Ca -0.36 -2.39 -0.31 0.00 0.00 0.00 0.00 61.98 58.92 3ia2 s VAL 225 Cb 0.12 -2.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 3ia2 s VAL 225 CO 0.47 -0.65 1.98 -2.65 0.00 0.00 0.00 175.10 174.25 3ia2 n PRO 226 N 4.20 2.59 -0.15 2.72 -0.02 -1.26 -4.80 135.00 138.28 3ia2 n PRO 226 Ca 0.03 0.93 -0.03 0.00 -2.02 0.00 0.00 63.50 62.41 3ia2 n PRO 226 Cb 0.41 -2.93 0.04 0.00 -0.02 0.00 0.00 33.50 30.99 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 10.72 -0.21 -0.42 6.00 3.04 -1.80 -2.37 116.94 131.89 3ia2 h PHE 227 Ca -0.48 0.04 0.10 0.00 3.98 0.00 0.00 57.97 61.61 3ia2 h PHE 227 Cb 1.25 0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.91 3ia2 h PHE 227 CO 0.94 -0.19 0.30 0.93 -2.02 0.00 0.00 178.31 178.26 3ia2 h GLU 228 N 0.02 0.13 -0.09 1.11 4.39 -1.95 -1.63 114.58 116.57 3ia2 h GLU 228 Ca 0.24 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3ia2 h GLU 228 Cb 0.36 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3ia2 h GLU 228 CO -0.48 0.09 0.00 0.25 -1.16 0.00 0.00 179.01 177.71 3ia2 n THR 229 N -4.45 0.21 0.00 1.13 -2.24 -1.03 -4.41 114.28 103.49 3ia2 n THR 229 Ca 0.07 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3ia2 n THR 229 Cb 0.40 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.85 -4.62 114.28 111.24 3ia2 n THR 230 Ca 0.08 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 3ia2 n THR 230 Cb 0.32 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.04 0.68 3.38 0.00 -1.58 0.70 103.07 107.29 3ia2 h GLY 231 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3ia2 h GLY 231 CO 0.00 -0.25 0.53 1.70 0.00 0.00 0.00 176.54 178.52 3ia2 h LYS 232 N 0.22 0.93 0.13 4.80 3.64 -1.57 -2.06 116.57 122.65 3ia2 h LYS 232 Ca 0.44 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.47 3ia2 h LYS 232 Cb 0.79 -0.21 0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3ia2 h LYS 232 CO -0.58 0.61 -1.22 0.28 -2.27 0.00 0.00 179.45 176.28 3ia2 h VAL 233 N 0.96 1.30 -0.94 2.00 2.07 -1.25 -3.28 116.25 117.10 3ia2 h VAL 233 Ca 0.39 -2.46 0.05 0.00 0.82 0.00 0.00 66.70 65.50 3ia2 h VAL 233 Cb 0.21 2.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 3ia2 h VAL 233 CO -0.19 0.75 0.60 0.00 0.02 0.00 0.00 177.57 178.75 3ia2 h ALA 234 N 0.26 1.28 0.00 1.67 0.00 -0.73 -1.01 119.26 120.74 3ia2 h ALA 234 Ca -0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3ia2 h ALA 234 Cb 1.90 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3ia2 h ALA 234 CO 0.23 0.41 -0.09 0.00 0.00 0.00 0.00 179.25 179.81 3ia2 h ALA 235 N 1.42 1.40 0.07 0.00 0.00 -1.44 -1.79 119.26 118.92 3ia2 h ALA 235 Ca 0.40 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.91 3ia2 h ALA 235 Cb 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3ia2 h ALA 235 CO -0.16 0.11 -1.76 0.93 0.00 0.00 0.00 179.25 178.37 3ia2 h GLU 236 N 0.00 0.15 0.00 0.00 5.08 -1.30 -3.38 114.58 115.14 3ia2 h GLU 236 Ca -0.00 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 3ia2 h GLU 236 Cb 0.22 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3ia2 h GLU 236 CO 0.01 0.91 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.37 3ia2 h LEU 237 N 0.04 0.00 -8.82 1.33 3.38 -0.95 -3.42 115.31 106.86 3ia2 h LEU 237 Ca -0.32 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.03 3ia2 h LEU 237 Cb 2.02 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.64 3ia2 h LEU 237 CO 0.10 0.49 0.21 -0.63 0.09 0.00 0.00 178.44 178.71 3ia2 s ILE 238 N -3.14 4.86 0.07 1.22 1.01 -0.70 -4.58 121.20 119.94 3ia2 s ILE 238 Ca 0.03 0.77 -0.34 0.00 0.00 0.00 0.00 60.65 61.10 3ia2 s ILE 238 Cb 0.09 -4.09 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 3ia2 s ILE 238 CO 0.73 -0.29 1.70 1.17 0.00 0.00 0.00 174.94 178.26 3ia2 n LYS 239 N 6.09 2.22 -0.97 2.79 4.81 -1.26 -1.87 118.16 129.97 3ia2 n LYS 239 Ca 0.00 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 3ia2 n LYS 239 Cb 0.49 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 32.92 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 3.82 0.57 3.76 3.14 0.00 -1.26 -4.87 105.19 110.36 3ia2 n GLY 240 Ca 0.19 0.00 -0.39 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 -2.44 3.11 -0.02 4.61 0.00 -0.78 -4.63 121.76 121.61 3ia2 s ALA 241 Ca 0.00 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.16 3ia2 s ALA 241 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3ia2 s ALA 241 CO 0.00 -0.95 0.17 -2.00 0.00 0.00 0.00 175.76 172.98 3ia2 s GLU 242 N -2.48 3.39 -0.08 0.00 2.12 0.18 -4.96 118.70 116.86 3ia2 s GLU 242 Ca 0.62 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.65 3ia2 s GLU 242 Cb -0.37 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 30.95 3ia2 s GLU 242 CO 0.47 0.68 -0.18 -1.17 -0.54 0.00 0.00 175.26 174.51 3ia2 s LEU 243 N -1.84 1.88 -0.10 2.70 2.96 -1.26 0.07 118.68 123.08 3ia2 s LEU 243 Ca 0.26 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 3ia2 s LEU 243 Cb -0.12 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.45 3ia2 s LEU 243 CO 0.17 0.10 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.61 3ia2 s LYS 244 N 0.48 2.12 -0.24 1.98 1.02 0.61 -4.97 119.74 120.74 3ia2 s LYS 244 Ca -0.16 -0.53 -0.05 0.00 0.02 0.00 0.00 55.97 55.24 3ia2 s LYS 244 Cb -0.17 -1.79 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 3ia2 s LYS 244 CO 0.06 -0.04 0.00 0.08 -0.92 0.00 0.00 175.35 174.54 3ia2 s VAL 245 N 0.91 3.70 -0.34 3.17 1.01 -1.26 -2.08 120.40 125.50 3ia2 s VAL 245 Ca -0.09 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 3ia2 s VAL 245 Cb -0.15 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3ia2 s VAL 245 CO 0.00 0.36 0.99 -0.31 0.00 0.00 0.00 175.10 176.14 3ia2 s TYR 246 N 1.52 3.12 0.11 5.22 2.02 -0.46 -4.95 117.35 123.92 3ia2 s TYR 246 Ca 0.05 0.98 -0.31 0.00 -0.37 0.00 0.00 57.07 57.43 3ia2 s TYR 246 Cb -0.15 -3.65 -0.09 0.00 -0.40 0.00 0.00 41.96 37.67 3ia2 s TYR 246 CO -0.01 -0.78 1.70 0.21 -1.57 0.00 0.00 175.55 175.10 3ia2 s LYS 247 N 3.54 4.18 0.00 -0.62 2.20 -1.26 -2.40 119.74 125.38 3ia2 s LYS 247 Ca 0.41 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 3ia2 s LYS 247 Cb -0.12 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3ia2 s LYS 247 CO 0.17 -0.75 0.00 -0.25 -0.36 0.00 0.00 175.35 174.15 3ia2 n ASP 248 N 5.33 -2.64 -4.76 1.43 8.00 -1.26 -4.91 116.55 117.73 3ia2 n ASP 248 Ca 0.16 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.29 3ia2 n ASP 248 Cb 0.39 -2.41 0.02 0.00 -0.02 0.00 0.00 41.12 39.10 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 -1.43 2.81 0.89 2.24 0.00 -1.01 -4.34 121.76 120.93 3ia2 s ALA 249 Ca 0.00 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.98 3ia2 s ALA 249 Cb 0.00 -3.46 0.13 0.00 0.00 0.00 0.00 23.12 19.78 3ia2 s ALA 249 CO 0.00 -1.03 0.77 -0.35 0.00 0.00 0.00 175.76 175.15 3ia2 n PRO 250 N -0.95 -0.53 -0.15 0.00 -0.04 -1.26 -1.19 135.00 130.87 3ia2 n PRO 250 Ca 0.10 -1.39 -0.09 0.00 -0.04 0.00 0.00 63.50 62.08 3ia2 n PRO 250 Cb 0.47 -0.73 -0.00 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.21 0.68 -0.41 0.54 -0.00 -1.80 -3.30 115.15 109.64 3ia2 h HIS 251 Ca -0.25 -0.05 -0.39 0.00 -0.00 0.00 0.00 60.37 59.67 3ia2 h HIS 251 Cb 0.74 -0.20 -0.09 0.00 -0.00 0.00 0.00 27.41 27.86 3ia2 h HIS 251 CO 0.00 0.59 0.64 0.41 -0.00 0.00 0.00 177.93 179.57 3ia2 n GLY 252 N -0.75 3.75 0.00 5.26 0.00 -0.34 -4.64 105.19 108.48 3ia2 n GLY 252 Ca 0.01 -1.52 0.15 0.00 0.00 0.00 0.00 46.02 44.65 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 2.09 0.00 0.26 1.61 1.16 -1.24 -2.40 117.46 118.94 3ia2 n PHE 253 Ca 0.51 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 56.23 3ia2 n PHE 253 Cb 0.66 -0.36 0.68 0.00 -1.61 0.00 0.00 39.48 38.85 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 3.27 1.12 0.00 1.98 0.00 -1.87 0.31 119.26 124.07 3ia2 h ALA 254 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3ia2 h ALA 254 Cb 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ia2 h ALA 254 CO 0.00 0.15 -0.97 0.28 0.00 0.00 0.00 179.25 178.71 3ia2 h VAL 255 N 0.00 0.74 0.00 0.00 2.07 -1.85 -3.30 116.25 113.92 3ia2 h VAL 255 Ca -0.00 -1.89 -0.14 0.00 0.82 0.00 0.00 66.70 65.48 3ia2 h VAL 255 Cb 0.47 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3ia2 h VAL 255 CO 0.02 0.25 -0.68 0.71 0.02 0.00 0.00 177.57 177.88 3ia2 h THR 256 N -1.00 1.38 -0.81 2.57 1.35 -1.48 -3.27 112.91 111.65 3ia2 h THR 256 Ca -0.24 -2.43 -0.51 0.00 -0.55 0.00 0.00 66.41 62.68 3ia2 h THR 256 Cb 1.07 2.35 -0.42 0.00 -1.73 0.00 0.00 68.15 69.42 3ia2 h THR 256 CO -0.14 0.67 -0.86 1.41 -0.25 0.00 0.00 175.52 176.35 3ia2 n HIS 257 N -3.56 2.59 -0.04 4.73 -0.00 0.11 -4.91 115.22 114.14 3ia2 n HIS 257 Ca -0.00 -2.33 -0.08 0.00 -0.00 0.00 0.00 57.72 55.30 3ia2 n HIS 257 Cb 0.71 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.99 30.38 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 2.30 0.18 -0.48 -1.41 0.00 -1.61 -1.43 119.26 116.82 3ia2 h ALA 258 Ca 0.28 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3ia2 h ALA 258 Cb 1.42 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3ia2 h ALA 258 CO 0.69 -0.42 0.19 0.37 0.00 0.00 0.00 179.25 180.07 3ia2 h GLN 259 N 0.07 0.72 -0.56 0.00 4.15 -1.91 -0.19 115.11 117.41 3ia2 h GLN 259 Ca 0.10 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3ia2 h GLN 259 Cb 0.12 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 3ia2 h GLN 259 CO -0.16 0.65 0.36 0.37 -1.93 0.00 0.00 178.83 178.13 3ia2 h GLN 260 N 0.64 0.74 -0.28 1.69 4.15 -1.92 -1.60 115.11 118.52 3ia2 h GLN 260 Ca 0.16 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 3ia2 h GLN 260 Cb 0.20 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3ia2 h GLN 260 CO -0.01 0.49 0.15 1.25 -1.93 0.00 0.00 178.83 178.78 3ia2 h LEU 261 N 0.75 0.36 -0.47 -2.39 5.85 -0.97 -0.95 115.31 117.49 3ia2 h LEU 261 Ca 0.20 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.90 3ia2 h LEU 261 Cb -0.08 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 3ia2 h LEU 261 CO -0.04 0.36 0.06 0.78 -0.34 0.00 0.00 178.44 179.26 3ia2 h ASN 262 N 0.33 -0.07 -0.27 1.25 2.35 -0.72 0.26 115.58 118.71 3ia2 h ASN 262 Ca 0.10 0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 3ia2 h ASN 262 Cb 0.09 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3ia2 h ASN 262 CO -0.01 -0.00 -0.25 -0.33 -1.65 0.00 0.00 177.43 175.18 3ia2 h GLU 263 N 0.19 0.76 -0.34 0.81 5.08 -1.11 -1.75 114.58 118.22 3ia2 h GLU 263 Ca 0.23 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 3ia2 h GLU 263 Cb 0.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3ia2 h GLU 263 CO -0.33 0.94 -0.32 -0.44 -1.00 0.00 0.00 179.01 177.85 3ia2 h ASP 264 N 0.66 0.78 -0.48 1.42 3.32 -0.67 -0.75 116.42 120.71 3ia2 h ASP 264 Ca 0.09 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 3ia2 h ASP 264 Cb 0.77 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3ia2 h ASP 264 CO 0.06 1.04 0.12 -0.07 -1.72 0.00 0.00 179.24 178.67 3ia2 h LEU 265 N 0.64 0.72 -0.58 1.55 3.38 -0.80 -1.51 115.31 118.70 3ia2 h LEU 265 Ca 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3ia2 h LEU 265 Cb 0.85 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3ia2 h LEU 265 CO 0.07 0.76 0.23 0.25 0.09 0.00 0.00 178.44 179.85 3ia2 h LEU 266 N 0.64 0.81 -0.62 1.67 5.85 -1.16 -1.73 115.31 120.77 3ia2 h LEU 266 Ca 0.15 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3ia2 h LEU 266 Cb 0.32 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3ia2 h LEU 266 CO 0.00 0.76 0.35 0.00 -0.34 0.00 0.00 178.44 179.21 3ia2 h ALA 267 N 1.08 0.79 -0.36 1.25 0.00 -1.02 -1.68 119.26 119.32 3ia2 h ALA 267 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ia2 h ALA 267 Cb 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ia2 h ALA 267 CO -0.02 0.30 0.19 0.35 0.00 0.00 0.00 179.25 180.08 3ia2 h PHE 268 N 0.84 0.50 -0.34 0.00 3.57 -1.05 -1.71 116.94 118.74 3ia2 h PHE 268 Ca 0.22 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3ia2 h PHE 268 Cb 0.03 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3ia2 h PHE 268 CO -0.01 0.40 0.10 -0.07 -2.23 0.00 0.00 178.31 176.50 3ia2 h LEU 269 N 0.46 0.44 -2.29 0.59 3.38 -1.10 -2.27 115.31 114.52 3ia2 h LEU 269 Ca 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ia2 h LEU 269 Cb 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3ia2 h LEU 269 CO -0.02 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.24 3ia2 n LYS 270 N -4.37 2.85 0.00 1.13 5.02 -0.65 -5.11 118.16 117.03 3ia2 n LYS 270 Ca 0.02 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 3ia2 n LYS 270 Cb 0.16 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3ia2 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77