#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig1 h PRO 4 N 0.00 0.00 -6.89 1.43 0.13 -1.95 -3.44 132.00 121.28 3ig1 h PRO 4 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 3ig1 h PRO 4 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3ig1 h PRO 4 CO 0.00 0.13 0.31 0.42 -0.23 0.00 0.00 178.00 178.63 3ig1 s ILE 5 N -4.01 4.32 -0.22 -3.56 1.01 -1.26 -5.02 121.20 112.47 3ig1 s ILE 5 Ca -0.02 1.63 -0.26 0.00 0.00 0.00 0.00 60.65 62.00 3ig1 s ILE 5 Cb 0.12 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 3ig1 s ILE 5 CO 0.58 0.00 0.87 -0.70 0.00 0.00 0.00 174.94 175.69 3ig1 s GLU 6 N -2.41 4.23 0.37 2.79 2.12 -1.26 -4.90 118.70 119.64 3ig1 s GLU 6 Ca 0.53 1.04 -0.27 0.00 0.36 0.00 0.00 54.97 56.63 3ig1 s GLU 6 Cb -0.15 -3.62 -0.09 0.00 0.26 0.00 0.00 34.13 30.52 3ig1 s GLU 6 CO 0.20 -0.47 1.29 0.95 -0.54 0.00 0.00 175.26 176.69 3ig1 s THR 7 N 2.67 2.72 0.20 -1.70 -4.23 -1.26 -5.00 115.64 109.04 3ig1 s THR 7 Ca 0.38 0.67 -0.27 0.00 -1.18 0.00 0.00 61.69 61.29 3ig1 s THR 7 Cb -0.16 -3.41 -0.08 0.00 1.34 0.00 0.00 72.50 70.19 3ig1 s THR 7 CO 0.09 0.12 0.84 -0.69 -0.54 0.00 0.00 174.62 174.45 3ig1 s VAL 8 N -1.22 4.25 -0.10 2.29 1.01 -1.26 -4.91 120.40 120.45 3ig1 s VAL 8 Ca 0.53 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 64.07 3ig1 s VAL 8 Cb -0.38 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 3ig1 s VAL 8 CO 0.50 0.50 1.12 -2.16 0.00 0.00 0.00 175.10 175.06 3ig1 s PRO 9 N -1.20 4.36 -0.04 2.72 0.04 -1.26 -3.87 135.00 135.74 3ig1 s PRO 9 Ca 0.38 1.55 0.06 0.00 0.04 0.00 0.00 61.00 63.03 3ig1 s PRO 9 Cb -0.24 -3.58 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 3ig1 s PRO 9 CO 0.28 -0.44 -0.23 0.08 0.04 0.00 0.00 177.00 176.74 3ig1 s VAL 10 N 2.34 1.84 -0.00 -0.36 1.01 -1.26 -5.08 120.40 118.89 3ig1 s VAL 10 Ca 0.52 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3ig1 s VAL 10 Cb -0.21 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3ig1 s VAL 10 CO 0.18 0.52 -0.22 -0.54 0.00 0.00 0.00 175.10 175.04 3ig1 s LYS 11 N -0.25 1.71 0.76 2.72 1.02 -1.26 -4.69 119.74 119.75 3ig1 s LYS 11 Ca 0.01 -0.82 -0.11 0.00 0.02 0.00 0.00 55.97 55.07 3ig1 s LYS 11 Cb -0.12 -1.69 0.05 0.00 -0.52 0.00 0.00 37.83 35.55 3ig1 s LYS 11 CO 0.02 0.46 1.08 -0.51 -0.92 0.00 0.00 175.35 175.48 3ig1 s LEU 12 N -0.65 3.01 0.77 3.17 1.43 -1.26 -0.83 118.68 124.32 3ig1 s LEU 12 Ca 0.08 1.75 -0.15 0.00 -1.03 0.00 0.00 54.13 54.79 3ig1 s LEU 12 Cb -0.09 -4.48 0.04 0.00 0.03 0.00 0.00 46.19 41.70 3ig1 s LEU 12 CO -0.00 -1.94 1.07 0.29 0.23 0.00 0.00 176.35 175.99 3ig1 n LYS 13 N -3.46 0.33 -1.81 1.70 5.02 0.55 -4.51 118.16 115.99 3ig1 n LYS 13 Ca 0.09 0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 56.14 3ig1 n LYS 13 Cb 0.53 -2.32 -0.03 0.00 -0.02 0.00 0.00 35.03 33.19 3ig1 n LYS 13 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ig1 s PRO 14 N -3.73 4.16 0.00 1.97 0.04 -1.26 -2.43 135.00 133.75 3ig1 s PRO 14 Ca 0.73 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.27 3ig1 s PRO 14 Cb -0.31 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 30.96 3ig1 s PRO 14 CO 0.51 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.23 3ig1 n GLY 15 N 3.97 2.25 3.87 0.56 0.00 -1.26 -5.02 105.19 109.56 3ig1 n GLY 15 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3ig1 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ig1 s MET 16 N -0.38 3.85 0.45 1.61 -1.94 -1.02 -5.10 119.30 116.77 3ig1 s MET 16 Ca 0.00 0.35 0.07 0.00 -1.71 0.00 0.00 55.69 54.39 3ig1 s MET 16 Cb 0.00 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.16 3ig1 s MET 16 CO 0.00 0.32 0.27 0.34 -0.01 0.00 0.00 175.02 175.93 3ig1 s ASP 17 N -2.27 4.59 0.84 3.03 3.68 -1.26 -4.78 116.67 120.50 3ig1 s ASP 17 Ca 0.47 -1.08 -0.13 0.00 2.13 0.00 0.00 52.55 53.95 3ig1 s ASP 17 Cb -0.12 -0.23 0.10 0.00 -1.45 0.00 0.00 42.92 41.22 3ig1 s ASP 17 CO 0.20 -0.72 1.18 0.61 0.13 0.00 0.00 175.17 176.58 3ig1 n GLY 18 N -1.43 -0.12 3.57 2.66 0.00 -1.26 -4.92 105.19 103.69 3ig1 n GLY 18 Ca -0.01 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3ig1 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ig1 s PRO 19 N -4.22 3.37 -0.29 1.61 0.04 -1.26 -4.98 135.00 129.27 3ig1 s PRO 19 Ca 0.72 0.10 -0.19 0.00 0.04 0.00 0.00 61.00 61.67 3ig1 s PRO 19 Cb -0.28 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 3ig1 s PRO 19 CO 0.53 -1.88 0.56 0.15 0.04 0.00 0.00 177.00 176.39 3ig1 s LYS 20 N 5.30 3.96 0.23 4.56 1.02 -1.26 -1.46 119.74 132.08 3ig1 s LYS 20 Ca 0.41 0.26 0.03 0.00 0.02 0.00 0.00 55.97 56.69 3ig1 s LYS 20 Cb -0.08 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.48 3ig1 s LYS 20 CO 0.22 -0.46 0.01 0.08 -0.92 0.00 0.00 175.35 174.27 3ig1 s VAL 21 N 2.42 0.94 -0.13 3.17 1.01 -1.15 -4.91 120.40 121.76 3ig1 s VAL 21 Ca 0.22 -2.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.13 3ig1 s VAL 21 Cb -0.15 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3ig1 s VAL 21 CO 0.10 -0.30 0.06 -0.54 0.00 0.00 0.00 175.10 174.43 3ig1 s LYS 22 N -3.89 3.44 0.07 2.72 1.02 -1.26 -4.72 119.74 117.12 3ig1 s LYS 22 Ca 0.29 -0.31 -0.28 0.00 0.02 0.00 0.00 55.97 55.70 3ig1 s LYS 22 Cb 0.06 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.27 3ig1 s LYS 22 CO 0.09 0.59 0.88 -1.14 -0.92 0.00 0.00 175.35 174.84 3ig1 s GLN 23 N -0.52 4.60 -0.13 1.68 2.00 -1.26 -4.73 119.66 121.29 3ig1 s GLN 23 Ca 0.10 1.28 -0.24 0.00 -2.00 0.00 0.00 55.36 54.50 3ig1 s GLN 23 Cb -0.12 -3.38 -0.02 0.00 0.80 0.00 0.00 33.01 30.29 3ig1 s GLN 23 CO 0.02 0.21 0.78 -1.58 -0.50 0.00 0.00 175.29 174.22 3ig1 s TRP 24 N 0.09 3.47 0.33 1.67 0.52 -1.26 -5.02 118.94 118.74 3ig1 s TRP 24 Ca 0.44 1.24 -0.28 0.00 0.02 0.00 0.00 56.10 57.51 3ig1 s TRP 24 Cb -0.22 -2.93 -0.12 0.00 -1.15 0.00 0.00 33.47 29.04 3ig1 s TRP 24 CO 0.27 -0.12 1.29 -0.35 0.02 0.00 0.00 176.95 178.05 3ig1 n PRO 25 N 4.72 2.08 -4.61 4.98 -0.04 -1.26 -4.94 135.00 135.93 3ig1 n PRO 25 Ca 0.02 0.73 -0.28 0.00 -0.04 0.00 0.00 63.50 63.94 3ig1 n PRO 25 Cb 0.50 -2.31 -0.11 0.00 -0.04 0.00 0.00 33.50 31.54 3ig1 n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ig1 s LEU 26 N -0.81 2.72 0.22 1.53 1.43 -1.26 -5.14 118.68 117.36 3ig1 s LEU 26 Ca 0.57 -1.41 -0.20 0.00 -1.03 0.00 0.00 54.13 52.07 3ig1 s LEU 26 Cb -0.58 -0.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.75 3ig1 s LEU 26 CO 0.61 -0.52 0.72 0.42 0.23 0.00 0.00 176.35 177.80 3ig1 s THR 27 N -2.80 4.58 0.53 5.49 -4.23 -1.26 -4.91 115.64 113.03 3ig1 s THR 27 Ca 0.32 1.28 0.41 0.00 -1.18 0.00 0.00 61.69 62.51 3ig1 s THR 27 Cb 0.09 -3.86 0.62 0.00 1.34 0.00 0.00 72.50 70.68 3ig1 s THR 27 CO 0.16 0.22 1.69 -0.33 -0.54 0.00 0.00 174.62 175.82 3ig1 h GLU 28 N 3.46 0.03 0.00 3.99 5.08 -1.99 0.68 114.58 125.82 3ig1 h GLU 28 Ca -0.48 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 3ig1 h GLU 28 Cb 1.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3ig1 h GLU 28 CO 0.65 0.02 -0.36 1.05 -1.00 0.00 0.00 179.01 179.37 3ig1 h GLU 29 N 0.03 0.00 0.00 2.33 4.11 -2.00 -2.19 114.58 116.86 3ig1 h GLU 29 Ca 0.74 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.92 3ig1 h GLU 29 Cb 2.87 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 32.08 3ig1 h GLU 29 CO -0.06 0.36 -1.58 0.87 0.07 0.00 0.00 179.01 178.67 3ig1 h LYS 30 N 0.00 0.00 0.11 1.06 1.57 -0.05 -3.34 116.57 115.92 3ig1 h LYS 30 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ig1 h LYS 30 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3ig1 h LYS 30 CO 0.05 0.47 -0.05 0.82 -0.57 0.00 0.00 179.45 180.17 3ig1 h ILE 31 N 0.00 0.54 -0.98 1.86 2.04 -1.33 -2.90 117.51 116.74 3ig1 h ILE 31 Ca -0.24 -1.21 0.10 0.00 1.00 0.00 0.00 64.86 64.50 3ig1 h ILE 31 Cb 1.89 0.98 -0.12 0.00 -0.74 0.00 0.00 36.82 38.83 3ig1 h ILE 31 CO 0.07 0.17 -0.56 0.29 0.00 0.00 0.00 178.15 178.12 3ig1 n LYS 32 N -4.84 -0.41 -0.07 2.37 5.02 -0.82 -0.06 118.16 119.34 3ig1 n LYS 32 Ca -0.05 1.49 -0.10 0.00 -2.02 0.00 0.00 58.31 57.63 3ig1 n LYS 32 Cb 0.19 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 32.95 3ig1 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ig1 h ALA 33 N 0.59 -0.65 -0.97 7.82 0.00 -1.70 -2.64 119.26 121.71 3ig1 h ALA 33 Ca 0.18 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3ig1 h ALA 33 Cb 0.42 0.96 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 3ig1 h ALA 33 CO -0.93 -0.82 -0.58 -0.07 0.00 0.00 0.00 179.25 176.85 3ig1 h LEU 34 N -0.30 -2.13 -1.75 0.00 3.38 -0.25 3.58 115.31 117.85 3ig1 h LEU 34 Ca 0.04 0.33 0.19 0.00 0.09 0.00 0.00 57.88 58.53 3ig1 h LEU 34 Cb 0.41 0.94 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 3ig1 h LEU 34 CO -0.38 -0.24 0.69 1.62 0.09 0.00 0.00 178.44 180.23 3ig1 h VAL 35 N -0.02 0.27 0.02 1.22 3.04 -1.10 0.82 116.25 120.51 3ig1 h VAL 35 Ca 0.16 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.85 3ig1 h VAL 35 Cb 0.43 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 3ig1 h VAL 35 CO -0.93 0.00 -0.01 -0.33 -1.01 0.00 0.00 177.57 175.29 3ig1 h GLU 36 N 0.00 -0.03 -1.28 4.17 5.08 0.70 0.07 114.58 123.29 3ig1 h GLU 36 Ca 0.31 0.00 0.40 0.00 -1.00 0.00 0.00 59.36 59.07 3ig1 h GLU 36 Cb 1.70 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.84 3ig1 h GLU 36 CO -0.00 -0.02 0.84 0.82 -1.00 0.00 0.00 179.01 179.65 3ig1 h ILE 37 N -0.10 0.23 0.12 3.13 2.04 0.33 -0.80 117.51 122.47 3ig1 h ILE 37 Ca -0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3ig1 h ILE 37 Cb 0.02 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3ig1 h ILE 37 CO 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 178.15 178.12 3ig1 h THR 39 N -0.89 0.34 0.06 0.00 2.02 0.51 0.70 112.91 115.64 3ig1 h THR 39 Ca -0.02 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3ig1 h THR 39 Cb 0.54 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3ig1 h THR 39 CO 0.03 0.06 -0.03 -0.33 0.37 0.00 0.00 175.52 175.62 3ig1 h GLU 40 N 0.32 -0.07 -0.92 6.66 5.08 -1.52 -2.78 114.58 121.34 3ig1 h GLU 40 Ca 0.71 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 59.20 3ig1 h GLU 40 Cb 1.78 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.96 3ig1 h GLU 40 CO -0.48 0.45 0.54 0.52 -1.00 0.00 0.00 179.01 179.05 3ig1 h MET 41 N -0.64 0.81 0.00 2.33 2.86 -0.05 0.31 114.93 120.54 3ig1 h MET 41 Ca -0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3ig1 h MET 41 Cb 0.55 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3ig1 h MET 41 CO 0.01 0.54 -0.20 1.49 1.06 0.00 0.00 176.91 179.80 3ig1 h GLU 42 N 0.84 0.00 -0.20 1.72 4.81 0.18 -0.46 114.58 121.46 3ig1 h GLU 42 Ca 0.47 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.49 3ig1 h GLU 42 Cb 0.53 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.92 3ig1 h GLU 42 CO -0.29 0.20 -0.69 0.87 -0.73 0.00 0.00 179.01 178.38 3ig1 h LYS 43 N 0.00 0.83 0.00 1.92 1.79 -0.13 -2.32 116.57 118.66 3ig1 h LYS 43 Ca -0.00 -0.61 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 3ig1 h LYS 43 Cb 0.41 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3ig1 h LYS 43 CO 0.03 1.23 0.00 0.39 -1.08 0.00 0.00 179.45 180.02 3ig1 n GLU 44 N -3.97 0.27 -0.96 3.15 4.71 -0.79 -4.84 120.64 118.22 3ig1 n GLU 44 Ca -0.06 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3ig1 n GLU 44 Cb 0.70 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.63 3ig1 n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ig1 n GLY 45 N 0.56 0.47 0.30 0.62 0.00 -0.87 -4.93 105.19 101.34 3ig1 n GLY 45 Ca 0.10 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 3ig1 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ig1 h LYS 46 N 0.59 1.06 -4.72 1.61 1.79 -1.31 -3.43 116.57 112.17 3ig1 h LYS 46 Ca 0.00 -0.29 -0.25 0.00 -2.18 0.00 0.00 60.65 57.94 3ig1 h LYS 46 Cb 0.00 -0.12 -0.15 0.00 -1.58 0.00 0.00 32.23 30.38 3ig1 h LYS 46 CO 0.00 0.98 -0.69 0.96 -1.08 0.00 0.00 179.45 179.62 3ig1 s ILE 47 N -5.20 0.73 0.21 1.86 -4.36 -1.22 -0.13 121.20 113.09 3ig1 s ILE 47 Ca -0.12 -1.96 0.11 0.00 -0.26 0.00 0.00 60.65 58.42 3ig1 s ILE 47 Cb 0.14 -1.79 -0.05 0.00 1.25 0.00 0.00 42.46 42.01 3ig1 s ILE 47 CO 0.84 -0.78 -0.22 -0.44 0.24 0.00 0.00 174.94 174.59 3ig1 s SER 48 N -3.08 3.33 -0.00 4.36 0.01 0.38 -4.22 113.70 114.47 3ig1 s SER 48 Ca 0.15 -0.91 -0.30 0.00 1.31 0.00 0.00 55.95 56.20 3ig1 s SER 48 Cb 0.05 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 3ig1 s SER 48 CO -0.02 0.07 1.11 -0.54 0.41 0.00 0.00 173.24 174.27 3ig1 s LYS 49 N -2.92 4.45 0.17 12.44 1.02 -1.26 0.07 119.74 133.71 3ig1 s LYS 49 Ca 0.22 1.60 -0.10 0.00 0.02 0.00 0.00 55.97 57.72 3ig1 s LYS 49 Cb -0.07 -3.45 -0.07 0.00 -0.52 0.00 0.00 37.83 33.73 3ig1 s LYS 49 CO 0.10 -0.25 0.48 0.96 -0.92 0.00 0.00 175.35 175.73 3ig1 s ILE 50 N 1.43 5.00 0.83 2.17 -4.36 0.21 -4.89 121.20 121.58 3ig1 s ILE 50 Ca 0.55 0.45 -0.12 0.00 -0.26 0.00 0.00 60.65 61.26 3ig1 s ILE 50 Cb -0.25 -3.64 0.19 0.00 1.25 0.00 0.00 42.46 40.01 3ig1 s ILE 50 CO 0.26 0.08 0.44 0.61 0.24 0.00 0.00 174.94 176.57 3ig1 n GLY 51 N 0.29 -2.92 0.30 6.27 0.00 -1.26 -4.60 105.19 103.27 3ig1 n GLY 51 Ca -0.03 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 45.04 3ig1 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ig1 h PRO 52 N 0.00 0.69 0.00 1.61 0.13 -1.98 -3.38 132.00 129.07 3ig1 h PRO 52 Ca -0.20 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3ig1 h PRO 52 Cb 0.67 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3ig1 h PRO 52 CO 0.12 0.59 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 3ig1 n GLU 53 N -4.34 0.03 -2.39 0.86 0.00 -1.26 -4.93 120.64 108.61 3ig1 n GLU 53 Ca 0.04 0.27 -0.34 0.00 0.00 0.00 0.00 57.16 57.13 3ig1 n GLU 53 Cb 0.17 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.09 3ig1 n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3ig1 s ASN 54 N -2.91 6.11 0.00 -1.84 3.84 -1.26 -4.97 114.94 113.90 3ig1 s ASN 54 Ca 0.07 1.96 0.23 0.00 0.21 0.00 0.00 52.86 55.33 3ig1 s ASN 54 Cb 0.08 -2.56 0.13 0.00 -0.55 0.00 0.00 41.25 38.35 3ig1 s ASN 54 CO 0.21 -0.95 1.20 -0.81 -2.79 0.00 0.00 177.10 173.96 3ig1 n PRO 55 N -1.24 1.97 -3.93 0.43 -0.04 -1.26 -4.99 135.00 125.94 3ig1 n PRO 55 Ca 0.10 -1.64 -0.21 0.00 -0.04 0.00 0.00 63.50 61.71 3ig1 n PRO 55 Cb 0.52 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 3ig1 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ig1 s TYR 56 N -2.11 3.06 -0.04 0.54 2.02 -1.26 -4.77 117.35 114.79 3ig1 s TYR 56 Ca 0.25 -0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.46 3ig1 s TYR 56 Cb 0.19 -1.62 0.07 0.00 -0.40 0.00 0.00 41.96 40.21 3ig1 s TYR 56 CO 0.38 0.34 0.68 1.21 -1.57 0.00 0.00 175.55 176.59 3ig1 s ASN 57 N -3.94 -0.65 0.03 2.29 2.47 -0.54 -4.70 114.94 109.91 3ig1 s ASN 57 Ca 0.37 0.66 0.04 0.00 0.42 0.00 0.00 52.86 54.34 3ig1 s ASN 57 Cb -0.07 0.54 -0.02 0.00 -1.45 0.00 0.00 41.25 40.25 3ig1 s ASN 57 CO 0.26 -0.63 -0.11 -0.89 -3.72 0.00 0.00 177.10 172.01 3ig1 s THR 58 N -1.39 0.89 0.12 -5.21 2.01 -0.10 -2.91 115.64 109.05 3ig1 s THR 58 Ca -0.10 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.76 3ig1 s THR 58 Cb -0.00 -0.82 -0.08 0.00 0.01 0.00 0.00 72.50 71.61 3ig1 s THR 58 CO 0.08 -0.00 1.41 -2.84 -0.69 0.00 0.00 174.62 172.57 3ig1 s PRO 59 N -0.94 4.31 -0.19 4.92 0.02 -1.26 -3.97 135.00 137.89 3ig1 s PRO 59 Ca 0.00 2.10 -0.04 0.00 0.02 0.00 0.00 61.00 63.08 3ig1 s PRO 59 Cb -0.07 -3.24 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 3ig1 s PRO 59 CO 0.01 -0.45 -0.02 0.54 -0.33 0.00 0.00 177.00 176.74 3ig1 s VAL 60 N 1.11 3.84 0.28 3.83 0.11 -1.26 -1.44 120.40 126.86 3ig1 s VAL 60 Ca 0.65 -0.36 0.11 0.00 -2.93 0.00 0.00 61.98 59.46 3ig1 s VAL 60 Cb -0.38 -2.72 -0.05 0.00 -1.53 0.00 0.00 36.38 31.70 3ig1 s VAL 60 CO 0.30 0.44 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.97 3ig1 s PHE 61 N 0.90 2.24 -0.11 1.54 2.99 0.32 -4.85 117.98 121.02 3ig1 s PHE 61 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 56.93 56.53 3ig1 s PHE 61 Cb -0.14 -1.00 0.05 0.00 0.00 0.00 0.00 43.02 41.93 3ig1 s PHE 61 CO 0.02 0.68 0.22 0.00 -0.00 0.00 0.00 175.22 176.13 3ig1 s ALA 62 N -2.56 -0.39 0.28 5.36 0.00 -1.26 -1.53 121.76 121.65 3ig1 s ALA 62 Ca 0.29 0.79 0.03 0.00 0.00 0.00 0.00 51.96 53.07 3ig1 s ALA 62 Cb -0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3ig1 s ALA 62 CO 0.14 -0.54 0.25 -1.50 0.00 0.00 0.00 175.76 174.11 3ig1 s ILE 63 N 2.19 0.00 0.76 0.00 1.10 -0.99 -4.93 121.20 119.33 3ig1 s ILE 63 Ca 0.00 -1.94 -0.13 0.00 -0.51 0.00 0.00 60.65 58.07 3ig1 s ILE 63 Cb -0.12 -2.50 0.05 0.00 0.15 0.00 0.00 42.46 40.04 3ig1 s ILE 63 CO -0.07 0.00 1.16 -1.59 -2.11 0.00 0.00 174.94 172.32 3ig1 s LYS 64 N -3.69 2.08 -0.00 3.50 0.00 -1.25 -0.04 119.74 120.34 3ig1 s LYS 64 Ca 0.39 1.56 0.01 0.00 0.00 0.00 0.00 55.97 57.92 3ig1 s LYS 64 Cb 0.04 -1.85 -0.02 0.00 0.00 0.00 0.00 37.83 36.00 3ig1 s LYS 64 CO 0.21 -1.84 0.04 1.17 0.00 0.00 0.00 175.35 174.93 3ig1 n LYS 65 N -3.06 2.84 -3.85 1.78 3.00 -1.17 -4.78 118.16 112.92 3ig1 n LYS 65 Ca 0.12 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.31 58.35 3ig1 n LYS 65 Cb 0.51 -0.83 -0.02 0.00 0.00 0.00 0.00 35.03 34.70 3ig1 n LYS 65 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3ig1 s LYS 66 N -1.67 1.80 0.00 1.64 1.02 -1.26 -4.97 119.74 116.30 3ig1 s LYS 66 Ca -0.00 -1.01 0.27 0.00 0.02 0.00 0.00 55.97 55.25 3ig1 s LYS 66 Cb 0.01 0.60 1.22 0.00 -0.52 0.00 0.00 37.83 39.14 3ig1 s LYS 66 CO 0.05 -0.83 1.88 -3.47 -0.92 0.00 0.00 175.35 172.06 3ig1 n ASP 67 N -0.54 0.00 -4.48 2.83 -0.08 -1.26 -3.41 116.55 109.61 3ig1 n ASP 67 Ca -0.04 0.26 -0.38 0.00 -1.51 0.00 0.00 54.79 53.12 3ig1 n ASP 67 Cb 0.59 -0.42 -0.02 0.00 2.34 0.00 0.00 41.12 43.61 3ig1 n ASP 67 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3ig1 n SER 68 N -1.42 4.15 -4.69 1.67 3.41 -1.26 -4.89 113.62 110.60 3ig1 n SER 68 Ca 0.09 -2.83 -0.43 0.00 -0.26 0.00 0.00 58.87 55.43 3ig1 n SER 68 Cb 0.27 -1.71 -0.03 0.00 -0.26 0.00 0.00 64.21 62.48 3ig1 n SER 68 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3ig1 n THR 69 N 6.75 0.28 -3.86 6.66 5.66 -1.22 -4.78 114.28 123.77 3ig1 n THR 69 Ca 0.48 -0.05 -0.10 0.00 -3.05 0.00 0.00 64.05 61.33 3ig1 n THR 69 Cb 0.45 -1.99 -0.06 0.00 -1.55 0.00 0.00 70.33 67.18 3ig1 n THR 69 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3ig1 s LYS 70 N 2.34 1.18 -0.20 1.09 1.02 -1.26 -5.02 119.74 118.89 3ig1 s LYS 70 Ca 0.81 -1.02 -0.01 0.00 0.02 0.00 0.00 55.97 55.77 3ig1 s LYS 70 Cb -0.53 0.42 0.01 0.00 -0.52 0.00 0.00 37.83 37.20 3ig1 s LYS 70 CO 0.38 -0.45 -0.12 -1.58 -0.92 0.00 0.00 175.35 172.65 3ig1 s TRP 71 N -3.91 2.86 0.40 3.18 0.52 -1.26 -3.07 118.94 117.66 3ig1 s TRP 71 Ca 0.12 -1.28 0.08 0.00 0.02 0.00 0.00 56.10 55.04 3ig1 s TRP 71 Cb 0.02 -2.00 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 3ig1 s TRP 71 CO -0.03 -0.67 0.45 0.50 0.02 0.00 0.00 176.95 177.22 3ig1 s ARG 72 N 1.34 2.74 -0.09 4.98 3.52 0.94 -4.92 118.95 127.47 3ig1 s ARG 72 Ca 0.05 -1.33 -0.11 0.00 -0.13 0.00 0.00 55.73 54.21 3ig1 s ARG 72 Cb -0.14 -2.59 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 3ig1 s ARG 72 CO -0.08 -0.15 0.26 0.21 -0.81 0.00 0.00 175.30 174.72 3ig1 s LYS 73 N -4.20 3.75 -0.08 5.12 2.20 -1.26 -2.35 119.74 122.92 3ig1 s LYS 73 Ca 0.49 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 3ig1 s LYS 73 Cb -0.07 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 33.03 3ig1 s LYS 73 CO 0.30 0.66 -0.06 -1.17 -0.36 0.00 0.00 175.35 174.71 3ig1 s LEU 74 N -0.79 1.19 -0.14 5.43 2.96 -0.58 -4.97 118.68 121.78 3ig1 s LEU 74 Ca 0.18 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3ig1 s LEU 74 Cb -0.14 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 3ig1 s LEU 74 CO 0.07 -0.09 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.23 3ig1 s VAL 75 N 1.36 3.44 -1.22 1.68 1.01 -1.26 -0.52 120.40 124.88 3ig1 s VAL 75 Ca -0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 3ig1 s VAL 75 Cb -0.14 -2.47 0.14 0.00 0.00 0.00 0.00 36.38 33.91 3ig1 s VAL 75 CO -0.03 0.51 1.51 -0.62 0.00 0.00 0.00 175.10 176.47 3ig1 s ASP 76 N 0.33 6.99 -1.43 3.32 2.15 -0.52 -4.89 116.67 122.62 3ig1 s ASP 76 Ca -0.08 -2.80 -0.10 0.00 0.43 0.00 0.00 52.55 50.00 3ig1 s ASP 76 Cb -0.15 -2.45 0.05 0.00 -0.30 0.00 0.00 42.92 40.07 3ig1 s ASP 76 CO 0.04 -0.88 2.35 0.49 -0.17 0.00 0.00 175.17 177.01 3ig1 n PHE 77 N 6.48 2.93 -0.13 -5.34 0.99 -1.26 -4.32 117.46 116.81 3ig1 n PHE 77 Ca 0.40 -2.93 -0.27 0.00 -0.00 0.00 0.00 57.45 54.65 3ig1 n PHE 77 Cb 0.44 -2.25 -0.11 0.00 -1.00 0.00 0.00 39.48 36.56 3ig1 n PHE 77 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3ig1 n ARG 78 N 4.09 0.59 -0.02 -1.08 1.74 -1.26 -3.54 116.66 117.19 3ig1 n ARG 78 Ca 0.58 0.34 -0.08 0.00 -0.77 0.00 0.00 57.85 57.92 3ig1 n ARG 78 Cb 0.32 -1.57 0.09 0.00 -1.02 0.00 0.00 32.46 30.27 3ig1 n ARG 78 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3ig1 h GLU 79 N -0.92 0.59 -0.08 5.56 4.39 -1.99 -2.85 114.58 119.28 3ig1 h GLU 79 Ca -0.59 -0.31 -0.15 0.00 0.34 0.00 0.00 59.36 58.64 3ig1 h GLU 79 Cb 1.56 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.21 3ig1 h GLU 79 CO -0.34 0.90 -0.62 1.25 -1.16 0.00 0.00 179.01 179.05 3ig1 h LEU 80 N 0.48 0.34 -0.97 1.33 5.85 -1.89 -2.26 115.31 118.20 3ig1 h LEU 80 Ca 0.04 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 3ig1 h LEU 80 Cb 0.93 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3ig1 h LEU 80 CO 0.08 0.87 -0.43 0.78 -0.34 0.00 0.00 178.44 179.41 3ig1 h ASN 81 N 0.22 0.00 -0.19 1.25 2.35 -1.59 -2.28 115.58 115.33 3ig1 h ASN 81 Ca -0.01 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 3ig1 h ASN 81 Cb 1.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3ig1 h ASN 81 CO 0.10 0.43 -0.37 0.11 -1.65 0.00 0.00 177.43 176.05 3ig1 h LYS 82 N 0.00 0.72 -0.34 0.81 1.57 -1.34 -3.32 116.57 114.67 3ig1 h LYS 82 Ca -0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3ig1 h LYS 82 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3ig1 h LYS 82 CO 0.06 0.97 0.00 0.54 -0.57 0.00 0.00 179.45 180.44 3ig1 n ARG 83 N -4.05 2.03 -4.26 3.15 1.74 -0.86 -4.90 116.66 109.52 3ig1 n ARG 83 Ca -0.01 -1.58 -0.35 0.00 -0.77 0.00 0.00 57.85 55.14 3ig1 n ARG 83 Cb 0.51 -1.40 -0.10 0.00 -1.02 0.00 0.00 32.46 30.45 3ig1 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ig1 s THR 84 N -1.55 4.43 0.27 0.55 2.01 -0.89 -0.33 115.64 120.12 3ig1 s THR 84 Ca 0.33 -0.19 -0.28 0.00 0.31 0.00 0.00 61.69 61.87 3ig1 s THR 84 Cb 0.18 -2.91 -0.15 0.00 0.01 0.00 0.00 72.50 69.63 3ig1 s THR 84 CO 0.25 0.55 0.82 0.00 -0.69 0.00 0.00 174.62 175.55 3ig1 n GLN 85 N 2.74 0.86 -1.82 4.92 10.64 -0.01 -4.61 117.38 130.09 3ig1 n GLN 85 Ca -0.18 0.30 -0.38 0.00 -1.83 0.00 0.00 57.00 54.91 3ig1 n GLN 85 Cb 0.53 -1.54 0.03 0.00 -0.86 0.00 0.00 30.24 28.40 3ig1 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3ig1 s ASP 86 N -0.73 5.42 0.44 2.61 1.01 -1.26 -4.94 116.67 119.21 3ig1 s ASP 86 Ca 0.61 2.75 0.04 0.00 0.71 0.00 0.00 52.55 56.65 3ig1 s ASP 86 Cb -0.77 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 40.48 3ig1 s ASP 86 CO 0.59 -1.47 0.03 -0.36 0.21 0.00 0.00 175.17 174.17 3ig1 s PHE 87 N -1.31 2.10 -0.84 4.23 0.40 -1.26 -5.09 117.98 116.22 3ig1 s PHE 87 Ca 0.70 -0.89 -0.15 0.00 -0.60 0.00 0.00 56.93 55.98 3ig1 s PHE 87 Cb -0.40 -1.57 0.19 0.00 0.51 0.00 0.00 43.02 41.75 3ig1 s PHE 87 CO 0.48 0.22 0.85 -0.46 0.70 0.00 0.00 175.22 177.00 3ig1 s TRP 88 N -2.91 3.57 0.12 0.36 -0.11 -1.26 -5.01 118.94 113.70 3ig1 s TRP 88 Ca 0.23 -1.79 -0.31 0.00 1.22 0.00 0.00 56.10 55.44 3ig1 s TRP 88 Cb 0.06 -3.94 -0.09 0.00 -1.50 0.00 0.00 33.47 27.99 3ig1 s TRP 88 CO 0.11 -1.12 1.65 -1.21 -4.62 0.00 0.00 176.95 171.76 3ig1 s GLU 89 N 0.91 4.19 -0.13 5.86 2.02 -1.26 -4.89 118.70 125.40 3ig1 s GLU 89 Ca 0.21 2.40 -0.06 0.00 0.02 0.00 0.00 54.97 57.53 3ig1 s GLU 89 Cb -0.10 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 3ig1 s GLU 89 CO -0.08 -0.70 -0.09 -0.24 0.02 0.00 0.00 175.26 174.17 3ig1 h VAL 90 N 4.41 0.05 -2.87 2.63 3.04 -2.01 -3.41 116.25 118.08 3ig1 h VAL 90 Ca -0.43 -1.05 -0.56 0.00 -1.01 0.00 0.00 66.70 63.65 3ig1 h VAL 90 Cb 1.20 0.10 -0.40 0.00 -2.01 0.00 0.00 31.29 30.19 3ig1 h VAL 90 CO 0.93 0.02 -0.78 -1.10 -1.01 0.00 0.00 177.57 175.62 3ig1 s GLN 91 N -2.00 0.52 -1.21 4.17 -1.52 -1.26 -4.98 119.66 113.39 3ig1 s GLN 91 Ca -0.10 -1.00 -0.17 0.00 -1.95 0.00 0.00 55.36 52.14 3ig1 s GLN 91 Cb 0.01 -1.54 -0.03 0.00 -0.22 0.00 0.00 33.01 31.23 3ig1 s GLN 91 CO 0.16 -1.07 2.11 1.28 -0.25 0.00 0.00 175.29 177.52 3ig1 n LEU 92 N 4.70 5.81 -4.87 2.90 4.32 -1.26 -4.76 117.00 123.84 3ig1 n LEU 92 Ca 0.01 -3.68 -0.21 0.00 -0.02 0.00 0.00 56.01 52.11 3ig1 n LEU 92 Cb 0.40 -1.46 -0.03 0.00 -1.62 0.00 0.00 43.42 40.70 3ig1 n LEU 92 CO 0.10 0.54 -0.09 -0.83 -1.22 0.00 0.00 177.39 175.90 3ig1 s GLY 93 N 3.89 1.62 -0.21 -0.72 0.00 -1.26 -5.13 107.32 105.51 3ig1 s GLY 93 Ca 0.51 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 3ig1 s GLY 93 CO -0.01 -1.50 -0.01 -0.42 0.00 0.00 0.00 173.10 171.16 3ig1 s ILE 94 N -2.22 0.99 0.18 0.90 1.01 -1.26 -5.11 121.20 115.68 3ig1 s ILE 94 Ca 0.39 -0.84 -0.32 0.00 0.00 0.00 0.00 60.65 59.88 3ig1 s ILE 94 Cb -0.07 -1.37 -0.11 0.00 0.01 0.00 0.00 42.46 40.92 3ig1 s ILE 94 CO 0.27 -0.13 1.65 -2.84 0.00 0.00 0.00 174.94 173.88 3ig1 s PRO 95 N 1.65 4.17 -0.11 2.79 0.02 -1.26 -4.96 135.00 137.30 3ig1 s PRO 95 Ca -0.03 2.48 -0.19 0.00 0.02 0.00 0.00 61.00 63.28 3ig1 s PRO 95 Cb -0.18 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 3ig1 s PRO 95 CO -0.07 -0.69 0.53 -1.58 -0.33 0.00 0.00 177.00 174.86 3ig1 s HIS 96 N 1.29 3.53 0.31 6.54 2.46 -1.26 -4.97 115.29 123.19 3ig1 s HIS 96 Ca 0.73 0.97 0.08 0.00 0.47 0.00 0.00 55.06 57.32 3ig1 s HIS 96 Cb -0.46 -2.62 0.89 0.00 -0.13 0.00 0.00 32.58 30.26 3ig1 s HIS 96 CO 0.32 0.14 1.67 -1.00 -2.47 0.00 0.00 174.74 173.40 3ig1 h PRO 97 N 6.74 0.32 0.00 2.88 0.13 -1.96 0.88 132.00 141.00 3ig1 h PRO 97 Ca -0.41 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3ig1 h PRO 97 Cb 1.18 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ig1 h PRO 97 CO 0.76 0.21 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 3ig1 n ALA 98 N -2.46 1.88 0.17 -0.56 0.00 -1.26 -0.97 120.51 117.31 3ig1 n ALA 98 Ca 0.26 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3ig1 n ALA 98 Cb 0.81 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 19.10 3ig1 n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ig1 h GLY 99 N 1.84 0.00 -3.39 0.00 0.00 0.51 -3.27 103.07 98.76 3ig1 h GLY 99 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 3ig1 h GLY 99 CO 0.00 0.00 0.45 1.08 0.00 0.00 0.00 176.54 178.07 3ig1 s LEU 100 N -5.31 4.38 0.21 3.11 1.43 -0.14 -4.76 118.68 117.60 3ig1 s LEU 100 Ca 0.01 2.19 0.05 0.00 -1.03 0.00 0.00 54.13 55.35 3ig1 s LEU 100 Cb 0.10 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 3ig1 s LEU 100 CO 0.77 -0.30 0.30 -0.54 0.23 0.00 0.00 176.35 176.81 3ig1 s LYS 101 N -1.87 3.32 -0.14 1.70 1.02 -1.26 -1.53 119.74 120.97 3ig1 s LYS 101 Ca 0.50 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 55.43 3ig1 s LYS 101 Cb -0.28 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 3ig1 s LYS 101 CO 0.36 0.46 1.68 0.15 -0.92 0.00 0.00 175.35 177.08 3ig1 s LYS 102 N -3.68 3.93 0.37 1.68 1.02 -1.26 -4.92 119.74 116.89 3ig1 s LYS 102 Ca 0.34 1.94 0.07 0.00 0.02 0.00 0.00 55.97 58.34 3ig1 s LYS 102 Cb -0.09 -4.04 -0.07 0.00 -0.52 0.00 0.00 37.83 33.10 3ig1 s LYS 102 CO 0.28 -1.14 -0.01 0.15 -0.92 0.00 0.00 175.35 173.71 3ig1 s LYS 103 N 4.49 1.85 -0.19 1.68 -0.14 -1.26 -5.02 119.74 121.16 3ig1 s LYS 103 Ca 0.75 -2.02 -0.16 0.00 -1.36 0.00 0.00 55.97 53.17 3ig1 s LYS 103 Cb -0.30 -1.51 -0.12 0.00 -1.68 0.00 0.00 37.83 34.23 3ig1 s LYS 103 CO 0.30 -0.02 -0.05 1.17 -0.76 0.00 0.00 175.35 175.99 3ig1 n LYS 104 N -0.86 0.53 -3.79 1.68 4.81 -0.73 -4.92 118.16 114.87 3ig1 n LYS 104 Ca -0.05 0.48 -0.36 0.00 -0.87 0.00 0.00 58.31 57.51 3ig1 n LYS 104 Cb 0.66 -1.66 -0.07 0.00 0.02 0.00 0.00 35.03 33.98 3ig1 n LYS 104 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3ig1 s SER 105 N -6.50 6.36 0.05 3.14 0.01 0.10 -4.98 113.70 111.89 3ig1 s SER 105 Ca -0.26 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.43 3ig1 s SER 105 Cb 0.06 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 3ig1 s SER 105 CO 0.44 0.32 -0.04 -0.69 0.41 0.00 0.00 173.24 173.67 3ig1 s VAL 106 N -0.52 0.33 -0.26 3.43 1.01 -1.26 -1.04 120.40 122.09 3ig1 s VAL 106 Ca 0.13 -1.52 -0.17 0.00 0.00 0.00 0.00 61.98 60.42 3ig1 s VAL 106 Cb -0.12 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.21 3ig1 s VAL 106 CO 0.03 -0.77 0.66 -0.89 0.00 0.00 0.00 175.10 174.12 3ig1 s THR 107 N -2.93 -0.00 -0.29 3.92 2.01 -0.38 -5.00 115.64 112.97 3ig1 s THR 107 Ca 0.00 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 3ig1 s THR 107 Cb 0.01 -0.94 0.03 0.00 0.01 0.00 0.00 72.50 71.61 3ig1 s THR 107 CO -0.05 0.00 0.02 -0.69 -0.69 0.00 0.00 174.62 173.21 3ig1 s VAL 108 N 1.25 3.34 -0.28 3.82 1.01 -1.26 -0.48 120.40 127.80 3ig1 s VAL 108 Ca -0.07 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.76 3ig1 s VAL 108 Cb -0.05 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3ig1 s VAL 108 CO -0.13 0.03 0.17 -0.76 0.00 0.00 0.00 175.10 174.40 3ig1 s LEU 109 N 1.36 3.95 -1.23 3.92 1.43 0.85 -4.90 118.68 124.07 3ig1 s LEU 109 Ca -0.01 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 3ig1 s LEU 109 Cb -0.18 -2.08 0.16 0.00 0.03 0.00 0.00 46.19 44.11 3ig1 s LEU 109 CO -0.01 -0.06 1.51 -0.67 0.23 0.00 0.00 176.35 177.36 3ig1 n ASP 110 N 5.04 5.17 -4.55 2.29 -0.08 -1.26 0.21 116.55 123.37 3ig1 n ASP 110 Ca -0.14 -2.98 -0.40 0.00 -1.51 0.00 0.00 54.79 49.76 3ig1 n ASP 110 Cb 0.52 -1.58 -0.03 0.00 2.34 0.00 0.00 41.12 42.36 3ig1 n ASP 110 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3ig1 s VAL 111 N 1.76 3.63 0.00 5.18 1.01 0.53 -4.64 120.40 127.87 3ig1 s VAL 111 Ca 0.44 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3ig1 s VAL 111 Cb -0.01 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.74 3ig1 s VAL 111 CO 0.01 -1.58 0.00 0.61 0.00 0.00 0.00 175.10 174.14 3ig1 n GLY 112 N 5.67 0.00 0.14 4.51 0.00 -1.26 -4.17 105.19 110.08 3ig1 n GLY 112 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3ig1 n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ig1 n ASP 113 N -2.24 0.42 0.02 1.61 4.64 -1.26 -3.04 116.55 116.71 3ig1 n ASP 113 Ca 0.00 0.66 0.09 0.00 -1.38 0.00 0.00 54.79 54.16 3ig1 n ASP 113 Cb 0.31 -0.68 0.38 0.00 -1.04 0.00 0.00 41.12 40.10 3ig1 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3ig1 n ALA 114 N -1.67 1.78 0.08 -1.67 0.00 -1.26 -3.29 120.51 114.48 3ig1 n ALA 114 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 3ig1 n ALA 114 Cb 0.13 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.29 3ig1 n ALA 114 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3ig1 h TYR 115 N 0.00 0.32 0.00 0.00 -0.00 -1.91 -2.50 116.97 112.88 3ig1 h TYR 115 Ca 0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.73 58.54 3ig1 h TYR 115 Cb 0.32 -0.04 -0.00 0.00 -0.00 0.00 0.00 36.73 37.01 3ig1 h TYR 115 CO 0.00 0.95 -0.11 0.35 -0.00 0.00 0.00 178.16 179.35 3ig1 h PHE 116 N 0.13 0.00 -0.05 0.10 -0.00 -1.76 -2.64 116.94 112.72 3ig1 h PHE 116 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.93 3ig1 h PHE 116 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.38 3ig1 h PHE 116 CO 0.03 0.11 0.00 0.43 -0.00 0.00 0.00 178.31 178.88 3ig1 n SER 117 N -3.83 0.90 -4.66 0.41 7.64 -0.95 -4.59 113.62 108.53 3ig1 n SER 117 Ca -0.02 -1.43 -0.35 0.00 1.01 0.00 0.00 58.87 58.08 3ig1 n SER 117 Cb 0.21 -0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 3ig1 n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ig1 s VAL 118 N -1.94 5.03 0.61 0.44 1.01 -1.00 -4.77 120.40 119.78 3ig1 s VAL 118 Ca 0.37 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 3ig1 s VAL 118 Cb 0.19 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3ig1 s VAL 118 CO 0.30 0.44 1.15 -2.16 0.00 0.00 0.00 175.10 174.83 3ig1 s PRO 119 N 0.47 2.99 -0.04 2.72 0.04 -1.26 -0.73 135.00 139.18 3ig1 s PRO 119 Ca 0.05 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 3ig1 s PRO 119 Cb -0.12 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3ig1 s PRO 119 CO -0.00 -1.14 0.07 -1.17 0.04 0.00 0.00 177.00 174.80 3ig1 s LEU 120 N -4.29 3.87 -0.37 -3.56 2.96 -0.15 -4.50 118.68 112.64 3ig1 s LEU 120 Ca 0.72 0.19 -0.41 0.00 -0.22 0.00 0.00 54.13 54.41 3ig1 s LEU 120 Cb -0.25 -2.11 -0.16 0.00 0.50 0.00 0.00 46.19 44.16 3ig1 s LEU 120 CO 0.34 0.32 1.83 -0.67 -1.32 0.00 0.00 176.35 176.85 3ig1 n ASP 121 N 1.56 1.91 -0.32 3.68 4.64 -1.25 -4.80 116.55 121.96 3ig1 n ASP 121 Ca -0.16 0.96 0.18 0.00 -1.38 0.00 0.00 54.79 54.40 3ig1 n ASP 121 Cb 0.53 -1.07 0.38 0.00 -1.04 0.00 0.00 41.12 39.92 3ig1 n ASP 121 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 3ig1 h GLU 122 N 7.70 0.27 0.00 -0.67 4.57 -1.95 0.15 114.58 124.64 3ig1 h GLU 122 Ca -0.39 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3ig1 h GLU 122 Cb 1.34 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3ig1 h GLU 122 CO 0.99 0.18 0.00 -0.44 -1.18 0.00 0.00 179.01 178.56 3ig1 h ASP 123 N 0.28 0.00 0.08 1.04 3.32 -1.95 -3.23 116.42 115.96 3ig1 h ASP 123 Ca 0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.69 3ig1 h ASP 123 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3ig1 h ASP 123 CO -0.63 0.00 -1.50 0.33 -1.72 0.00 0.00 179.24 175.72 3ig1 n PHE 124 N -2.46 0.06 0.31 4.55 7.35 0.46 -4.41 117.46 123.31 3ig1 n PHE 124 Ca 0.03 0.02 0.17 0.00 -0.76 0.00 0.00 57.45 56.91 3ig1 n PHE 124 Cb 0.34 -0.33 1.00 0.00 0.35 0.00 0.00 39.48 40.85 3ig1 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ig1 h ARG 125 N 0.00 0.00 0.00 -4.13 3.08 -1.44 -1.99 114.38 109.90 3ig1 h ARG 125 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ig1 h ARG 125 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3ig1 h ARG 125 CO 0.00 0.00 0.00 0.36 -1.07 0.00 0.00 179.97 179.26 3ig1 n LYS 126 N -3.63 0.12 0.00 0.04 -0.00 -1.26 -2.19 118.16 111.24 3ig1 n LYS 126 Ca -0.03 0.13 0.12 0.00 -0.00 0.00 0.00 58.31 58.53 3ig1 n LYS 126 Cb 0.08 -1.50 0.21 0.00 -0.00 0.00 0.00 35.03 33.83 3ig1 n LYS 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3ig1 n TYR 127 N -1.42 0.00 -0.51 5.58 4.01 -0.75 -3.98 117.16 120.10 3ig1 n TYR 127 Ca 0.07 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.91 3ig1 n TYR 127 Cb 0.21 -0.09 0.34 0.00 -0.31 0.00 0.00 39.34 39.49 3ig1 n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3ig1 n THR 128 N -0.57 1.48 -1.86 -0.72 -2.24 -0.93 -4.74 114.28 104.71 3ig1 n THR 128 Ca 0.10 -1.13 -0.42 0.00 -2.27 0.00 0.00 64.05 60.34 3ig1 n THR 128 Cb 0.38 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 3ig1 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ig1 s ALA 129 N -1.49 3.76 0.14 6.98 0.00 -1.26 -4.25 121.76 125.65 3ig1 s ALA 129 Ca 0.49 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.95 3ig1 s ALA 129 Cb 0.29 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3ig1 s ALA 129 CO 0.28 -0.87 -0.04 -0.59 0.00 0.00 0.00 175.76 174.53 3ig1 s PHE 130 N 0.47 1.11 -0.06 0.00 -0.12 0.19 -0.92 117.98 118.65 3ig1 s PHE 130 Ca 0.66 -0.93 0.04 0.00 -0.05 0.00 0.00 56.93 56.65 3ig1 s PHE 130 Cb -0.46 -0.62 -0.00 0.00 -0.63 0.00 0.00 43.02 41.31 3ig1 s PHE 130 CO 0.40 -0.13 -0.18 0.99 -0.05 0.00 0.00 175.22 176.25 3ig1 s THR 131 N -3.58 1.56 -0.41 -4.49 2.01 -1.25 -1.52 115.64 107.96 3ig1 s THR 131 Ca 0.18 -0.77 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 3ig1 s THR 131 Cb 0.05 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.23 3ig1 s THR 131 CO 0.00 0.45 0.47 -0.63 -0.69 0.00 0.00 174.62 174.22 3ig1 s ILE 132 N 0.15 5.05 0.60 1.82 1.01 0.10 -4.55 121.20 125.38 3ig1 s ILE 132 Ca -0.07 -0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 3ig1 s ILE 132 Cb -0.13 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3ig1 s ILE 132 CO 0.04 -0.39 1.15 -0.81 0.00 0.00 0.00 174.94 174.93 3ig1 n PRO 133 N 5.70 1.14 -3.29 2.79 -0.04 -1.26 -0.88 135.00 139.16 3ig1 n PRO 133 Ca -0.06 0.44 -0.35 0.00 -0.04 0.00 0.00 63.50 63.48 3ig1 n PRO 133 Cb 0.48 -2.37 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 3ig1 n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ig1 s SER 134 N -1.21 6.86 0.11 3.54 0.15 -1.26 -4.82 113.70 117.08 3ig1 s SER 134 Ca 0.77 1.16 -0.23 0.00 0.70 0.00 0.00 55.95 58.35 3ig1 s SER 134 Cb -0.41 -2.32 -0.08 0.00 -1.71 0.00 0.00 66.02 61.50 3ig1 s SER 134 CO 0.45 0.06 1.70 -0.29 1.20 0.00 0.00 173.24 176.36 3ig1 h ILE 135 N 2.68 0.78 -0.24 6.45 -0.00 -1.92 -2.96 117.51 122.30 3ig1 h ILE 135 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.38 3ig1 h ILE 135 Cb 1.19 0.78 0.00 0.00 -0.00 0.00 0.00 36.82 38.79 3ig1 h ILE 135 CO 0.66 0.00 0.00 -0.46 -0.00 0.00 0.00 178.15 178.35 3ig1 n ASN 136 N -5.21 3.37 -3.76 2.19 2.04 -1.26 -4.93 115.26 107.70 3ig1 n ASN 136 Ca -0.05 -2.69 -0.26 0.00 -0.44 0.00 0.00 54.58 51.13 3ig1 n ASN 136 Cb 0.13 -0.42 0.05 0.00 -2.53 0.00 0.00 39.78 37.01 3ig1 n ASN 136 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3ig1 n ASN 137 N -0.32 -4.48 -0.01 0.53 3.02 -1.12 -4.82 115.26 108.06 3ig1 n ASN 137 Ca 0.17 -0.71 0.09 0.00 -0.03 0.00 0.00 54.58 54.10 3ig1 n ASN 137 Cb 0.71 -4.31 -0.13 0.00 -0.61 0.00 0.00 39.78 35.43 3ig1 n ASN 137 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3ig1 n GLU 138 N -4.68 0.68 -4.37 3.52 0.28 -1.26 -4.96 120.64 109.85 3ig1 n GLU 138 Ca -0.04 -0.13 -0.19 0.00 -0.16 0.00 0.00 57.16 56.63 3ig1 n GLU 138 Cb 0.57 -1.41 -0.10 0.00 1.43 0.00 0.00 31.44 31.92 3ig1 n GLU 138 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3ig1 s THR 139 N -3.14 1.75 0.36 3.84 -4.23 -1.26 -5.12 115.64 107.84 3ig1 s THR 139 Ca -0.04 -2.20 -0.27 0.00 -1.18 0.00 0.00 61.69 58.00 3ig1 s THR 139 Cb 0.12 -2.16 -0.09 0.00 1.34 0.00 0.00 72.50 71.71 3ig1 s THR 139 CO 0.75 -0.51 1.17 -2.84 -0.54 0.00 0.00 174.62 172.65 3ig1 s PRO 140 N -3.66 4.26 1.41 3.99 0.02 -1.26 -4.64 135.00 135.11 3ig1 s PRO 140 Ca 0.25 1.88 -0.23 0.00 0.02 0.00 0.00 61.00 62.92 3ig1 s PRO 140 Cb 0.00 -2.86 0.35 0.00 0.02 0.00 0.00 34.50 32.01 3ig1 s PRO 140 CO 0.08 -0.16 0.81 0.41 -0.33 0.00 0.00 177.00 177.82 3ig1 n GLY 141 N 0.78 -3.67 3.42 0.52 0.00 -1.26 -4.78 105.19 100.20 3ig1 n GLY 141 Ca 0.02 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 3ig1 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig1 s ILE 142 N -2.12 3.69 -0.26 -0.61 1.01 -0.06 -4.90 121.20 117.96 3ig1 s ILE 142 Ca 0.63 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 3ig1 s ILE 142 Cb -0.12 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 3ig1 s ILE 142 CO 0.53 0.46 0.07 -0.13 0.00 0.00 0.00 174.94 175.87 3ig1 s ARG 143 N 0.85 3.51 0.06 2.79 1.81 -1.26 0.01 118.95 126.72 3ig1 s ARG 143 Ca -0.01 -0.57 0.05 0.00 -1.72 0.00 0.00 55.73 53.49 3ig1 s ARG 143 Cb -0.15 -3.32 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 3ig1 s ARG 143 CO 0.02 -0.25 -0.08 0.71 -0.68 0.00 0.00 175.30 175.02 3ig1 s TYR 144 N 1.58 2.81 0.22 -0.53 1.51 -0.57 0.64 117.35 123.01 3ig1 s TYR 144 Ca 0.06 -0.11 0.11 0.00 -1.01 0.00 0.00 57.07 56.12 3ig1 s TYR 144 Cb -0.15 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 3ig1 s TYR 144 CO 0.03 0.40 -0.21 1.14 -1.11 0.00 0.00 175.55 175.80 3ig1 s GLN 145 N -1.91 1.52 0.26 -0.62 -2.07 0.11 -0.64 119.66 116.31 3ig1 s GLN 145 Ca 0.20 -1.59 -0.15 0.00 -1.82 0.00 0.00 55.36 51.99 3ig1 s GLN 145 Cb -0.11 -1.67 -0.08 0.00 -1.09 0.00 0.00 33.01 30.05 3ig1 s GLN 145 CO 0.12 0.34 0.68 0.71 -1.32 0.00 0.00 175.29 175.81 3ig1 s TYR 146 N -2.13 3.48 0.00 9.60 2.02 -1.26 -0.47 117.35 128.60 3ig1 s TYR 146 Ca 0.23 1.18 0.00 0.00 -0.37 0.00 0.00 57.07 58.11 3ig1 s TYR 146 Cb -0.06 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 3ig1 s TYR 146 CO 0.11 0.23 0.00 0.09 -1.57 0.00 0.00 175.55 174.41 3ig1 n ASN 147 N 0.11 1.01 -4.50 2.29 3.02 0.82 -4.69 115.26 113.32 3ig1 n ASN 147 Ca 0.00 -0.38 -0.24 0.00 -0.03 0.00 0.00 54.58 53.93 3ig1 n ASN 147 Cb 0.52 0.97 -0.11 0.00 -0.61 0.00 0.00 39.78 40.56 3ig1 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ig1 s VAL 148 N -1.18 1.51 -0.22 2.41 -7.23 -1.19 -0.98 120.40 113.52 3ig1 s VAL 148 Ca 0.00 -2.01 -0.32 0.00 -1.81 0.00 0.00 61.98 57.84 3ig1 s VAL 148 Cb 0.00 -2.83 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 3ig1 s VAL 148 CO 0.00 -0.03 2.13 0.18 -0.31 0.00 0.00 175.10 177.07 3ig1 n LEU 149 N -0.77 2.96 -4.77 1.32 4.77 0.09 -4.56 117.00 116.04 3ig1 n LEU 149 Ca -0.03 0.47 -0.38 0.00 -0.03 0.00 0.00 56.01 56.04 3ig1 n LEU 149 Cb 0.66 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.31 3ig1 n LEU 149 CO 0.44 -0.52 0.78 -2.84 -1.33 0.00 0.00 177.39 173.92 3ig1 s PRO 150 N 5.73 4.18 0.15 3.23 0.02 -1.26 -4.44 135.00 142.61 3ig1 s PRO 150 Ca 1.02 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 63.41 3ig1 s PRO 150 Cb -0.60 -2.67 -0.07 0.00 0.02 0.00 0.00 34.50 31.19 3ig1 s PRO 150 CO 0.44 -0.17 0.92 -1.14 -0.33 0.00 0.00 177.00 176.73 3ig1 s GLN 151 N -2.29 4.73 0.00 5.54 0.74 -1.26 -3.39 119.66 123.72 3ig1 s GLN 151 Ca 0.56 1.41 0.00 0.00 0.05 0.00 0.00 55.36 57.38 3ig1 s GLN 151 Cb -0.26 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.51 3ig1 s GLN 151 CO 0.33 0.35 0.00 0.41 -0.55 0.00 0.00 175.29 175.83 3ig1 n GLY 152 N 1.96 0.23 3.94 2.59 0.00 -1.26 -4.78 105.19 107.87 3ig1 n GLY 152 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3ig1 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ig1 s TRP 153 N -2.00 3.26 0.05 1.61 -0.00 -1.22 -4.62 118.94 116.02 3ig1 s TRP 153 Ca 0.00 0.35 -0.22 0.00 -0.00 0.00 0.00 56.10 56.22 3ig1 s TRP 153 Cb 0.00 -2.38 -0.14 0.00 -0.00 0.00 0.00 33.47 30.96 3ig1 s TRP 153 CO 0.00 -0.42 1.50 -0.22 -0.00 0.00 0.00 176.95 177.80 3ig1 h LYS 154 N 0.29 0.18 -0.00 5.86 3.64 -1.90 -3.34 116.57 121.30 3ig1 h LYS 154 Ca -0.46 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3ig1 h LYS 154 Cb 1.25 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3ig1 h LYS 154 CO 0.58 0.41 -0.02 0.41 -2.27 0.00 0.00 179.45 178.56 3ig1 n GLY 155 N -0.35 -1.49 0.29 5.01 0.00 -1.26 -4.17 105.19 103.22 3ig1 n GLY 155 Ca -0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 3ig1 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ig1 h SER 156 N 0.00 0.91 0.38 1.61 0.02 -1.82 -1.89 113.55 112.75 3ig1 h SER 156 Ca 0.00 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3ig1 h SER 156 Cb 0.50 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3ig1 h SER 156 CO 0.00 0.98 -0.22 -0.65 -1.14 0.00 0.00 176.83 175.79 3ig1 h PRO 157 N 0.85 -0.54 -0.36 3.45 0.11 -1.82 -2.65 132.00 131.05 3ig1 h PRO 157 Ca 0.15 0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 3ig1 h PRO 157 Cb 0.53 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 3ig1 h PRO 157 CO 0.03 -0.36 -0.00 0.00 -0.21 0.00 0.00 178.00 177.46 3ig1 h ALA 158 N -1.59 0.49 -0.69 -0.75 0.00 -1.81 -2.09 119.26 112.82 3ig1 h ALA 158 Ca -0.05 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3ig1 h ALA 158 Cb 0.45 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3ig1 h ALA 158 CO 0.06 0.25 0.39 0.82 0.00 0.00 0.00 179.25 180.77 3ig1 h ILE 159 N 0.45 0.98 0.14 0.00 2.04 -1.44 -0.29 117.51 119.38 3ig1 h ILE 159 Ca 0.10 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3ig1 h ILE 159 Cb 0.46 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3ig1 h ILE 159 CO 0.02 0.13 -0.07 0.77 0.00 0.00 0.00 178.15 179.00 3ig1 h SER 160 N 0.72 -0.16 -0.56 1.72 4.64 -1.46 -0.64 113.55 117.81 3ig1 h SER 160 Ca 0.31 -0.39 0.16 0.00 -0.47 0.00 0.00 61.79 61.39 3ig1 h SER 160 Cb 0.18 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3ig1 h SER 160 CO -0.18 0.39 0.61 -0.61 -0.87 0.00 0.00 176.83 176.17 3ig1 h GLN 161 N -0.79 0.00 0.00 4.77 4.15 -1.29 0.27 115.11 122.22 3ig1 h GLN 161 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ig1 h GLN 161 Cb 0.54 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 3ig1 h GLN 161 CO 0.03 0.00 -0.02 1.03 -1.93 0.00 0.00 178.83 177.94 3ig1 h SER 162 N 0.00 0.00 -0.88 -0.69 0.87 -0.85 -3.14 113.55 108.87 3ig1 h SER 162 Ca 0.26 -0.67 0.14 0.00 -1.23 0.00 0.00 61.79 60.29 3ig1 h SER 162 Cb 1.48 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.35 3ig1 h SER 162 CO -0.00 0.85 0.49 0.28 -0.53 0.00 0.00 176.83 177.91 3ig1 h SER 163 N -1.00 0.64 0.12 6.23 0.02 0.59 -1.13 113.55 119.01 3ig1 h SER 163 Ca -0.00 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3ig1 h SER 163 Cb 0.69 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 3ig1 h SER 163 CO -0.00 0.29 -0.43 -0.03 -1.14 0.00 0.00 176.83 175.52 3ig1 h MET 164 N 0.72 -0.64 -0.71 3.45 -1.53 -0.68 -1.26 114.93 114.28 3ig1 h MET 164 Ca 0.47 0.04 0.15 0.00 -3.44 0.00 0.00 59.70 56.92 3ig1 h MET 164 Cb 0.60 0.15 -0.13 0.00 -0.55 0.00 0.00 31.60 31.67 3ig1 h MET 164 CO -0.33 -0.43 -0.13 1.15 0.14 0.00 0.00 176.91 177.31 3ig1 h THR 165 N -0.66 0.31 -0.92 -0.77 2.02 -1.16 0.13 112.91 111.85 3ig1 h THR 165 Ca 0.02 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.21 3ig1 h THR 165 Cb 0.69 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 3ig1 h THR 165 CO -0.25 0.00 0.61 0.11 0.37 0.00 0.00 175.52 176.36 3ig1 h LYS 166 N 0.02 1.18 -0.29 6.66 1.57 -0.95 0.94 116.57 125.71 3ig1 h LYS 166 Ca 0.35 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3ig1 h LYS 166 Cb 0.56 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3ig1 h LYS 166 CO -0.71 0.78 0.14 0.82 -0.57 0.00 0.00 179.45 179.92 3ig1 h ILE 167 N 1.21 1.14 0.00 1.86 1.08 0.31 -3.12 117.51 120.00 3ig1 h ILE 167 Ca 0.35 -0.40 -0.08 0.00 -0.39 0.00 0.00 64.86 64.34 3ig1 h ILE 167 Cb -0.08 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 3ig1 h ILE 167 CO -0.09 0.14 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.05 3ig1 h LEU 168 N 0.33 0.00 -2.05 1.44 3.38 -0.37 -3.28 115.31 114.77 3ig1 h LEU 168 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ig1 h LEU 168 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ig1 h LEU 168 CO -0.01 0.39 0.00 -0.08 0.09 0.00 0.00 178.44 178.83 3ig1 h GLU 169 N 0.00 0.00 0.00 1.13 4.57 0.96 0.41 114.58 121.65 3ig1 h GLU 169 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3ig1 h GLU 169 Cb 1.28 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3ig1 h GLU 169 CO 0.05 0.00 -1.43 -0.35 -1.18 0.00 0.00 179.01 176.10 3ig1 n PRO 170 N -2.67 0.63 0.06 0.92 -0.04 -1.24 -2.78 135.00 129.88 3ig1 n PRO 170 Ca -0.02 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.41 3ig1 n PRO 170 Cb 0.08 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 31.76 3ig1 n PRO 170 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3ig1 h PHE 171 N 0.00 0.00 -0.24 0.54 3.57 -1.43 -3.19 116.94 116.19 3ig1 h PHE 171 Ca -0.02 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.29 3ig1 h PHE 171 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3ig1 h PHE 171 CO 0.00 0.79 -0.59 0.87 -2.23 0.00 0.00 178.31 177.15 3ig1 h LYS 172 N 0.00 0.83 -0.30 1.11 1.57 -0.31 -2.97 116.57 116.51 3ig1 h LYS 172 Ca -0.10 -0.57 -0.09 0.00 -1.87 0.00 0.00 60.65 58.02 3ig1 h LYS 172 Cb 1.69 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 3ig1 h LYS 172 CO 0.09 1.19 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.73 3ig1 h LYS 173 N 0.59 0.55 0.00 3.15 3.64 -1.62 -3.06 116.57 119.82 3ig1 h LYS 173 Ca -0.00 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 3ig1 h LYS 173 Cb 1.21 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3ig1 h LYS 173 CO 0.13 0.72 -0.32 1.96 -2.27 0.00 0.00 179.45 179.67 3ig1 h GLN 174 N 0.49 0.00 -3.27 1.90 7.50 -1.52 -3.35 115.11 116.86 3ig1 h GLN 174 Ca 0.08 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 58.60 3ig1 h GLN 174 Cb 0.63 0.00 -0.41 0.00 0.05 0.00 0.00 27.48 27.75 3ig1 h GLN 174 CO 0.04 0.32 -0.65 -0.80 -1.50 0.00 0.00 178.83 176.25 3ig1 s ASN 175 N -6.41 4.23 0.57 1.46 0.01 -1.13 -4.93 114.94 108.73 3ig1 s ASN 175 Ca -0.00 -3.05 0.34 0.00 -0.71 0.00 0.00 52.86 49.44 3ig1 s ASN 175 Cb 0.11 -1.52 1.60 0.00 0.41 0.00 0.00 41.25 41.85 3ig1 s ASN 175 CO 0.67 -0.22 2.08 -0.65 -1.51 0.00 0.00 177.10 177.47 3ig1 h PRO 176 N 6.39 0.00 0.01 -0.60 0.11 -1.71 -3.13 132.00 133.07 3ig1 h PRO 176 Ca -0.04 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.80 3ig1 h PRO 176 Cb 0.88 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 3ig1 h PRO 176 CO 0.65 0.04 -1.55 -0.44 -0.21 0.00 0.00 178.00 176.50 3ig1 h ASP 177 N 0.00 0.02 -3.50 -2.05 3.32 -1.92 -3.46 116.42 108.84 3ig1 h ASP 177 Ca -0.00 -0.04 -0.52 0.00 0.02 0.00 0.00 57.03 56.48 3ig1 h ASP 177 Cb 0.38 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3ig1 h ASP 177 CO 0.01 1.04 0.41 -0.63 -1.72 0.00 0.00 179.24 178.35 3ig1 s ILE 178 N -2.62 4.35 -0.20 0.35 1.01 -1.18 -4.76 121.20 118.14 3ig1 s ILE 178 Ca -0.04 1.89 -0.08 0.00 0.00 0.00 0.00 60.65 62.42 3ig1 s ILE 178 Cb 0.08 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3ig1 s ILE 178 CO 0.82 0.26 0.09 0.68 0.00 0.00 0.00 174.94 176.80 3ig1 s VAL 179 N 0.22 4.96 -0.10 2.92 -7.23 -0.34 -4.96 120.40 115.88 3ig1 s VAL 179 Ca 0.50 0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 3ig1 s VAL 179 Cb -0.25 -3.26 0.02 0.00 0.56 0.00 0.00 36.38 33.44 3ig1 s VAL 179 CO 0.31 0.43 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.76 3ig1 s ILE 180 N 0.58 1.35 -0.05 -0.62 1.01 -1.26 -0.76 121.20 121.45 3ig1 s ILE 180 Ca 0.05 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3ig1 s ILE 180 Cb -0.13 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.10 3ig1 s ILE 180 CO 0.01 0.41 -0.14 -0.31 0.00 0.00 0.00 174.94 174.91 3ig1 s TYR 181 N 0.99 1.54 -0.13 3.97 4.12 -0.57 -4.97 117.35 122.30 3ig1 s TYR 181 Ca -0.07 -0.51 0.01 0.00 0.02 0.00 0.00 57.07 56.52 3ig1 s TYR 181 Cb -0.15 -1.08 -0.01 0.00 -1.52 0.00 0.00 41.96 39.20 3ig1 s TYR 181 CO -0.01 -0.22 -0.17 1.14 0.02 0.00 0.00 175.55 176.32 3ig1 s GLN 182 N 0.35 3.23 -0.28 -0.62 -2.07 -1.26 -0.58 119.66 118.44 3ig1 s GLN 182 Ca -0.09 -0.76 -0.04 0.00 -1.82 0.00 0.00 55.36 52.65 3ig1 s GLN 182 Cb -0.13 -2.55 0.10 0.00 -1.09 0.00 0.00 33.01 29.33 3ig1 s GLN 182 CO 0.03 0.11 0.15 -0.47 -1.32 0.00 0.00 175.29 173.79 3ig1 s TYR 183 N 0.57 0.19 0.00 9.60 5.04 -0.54 -5.01 117.35 127.20 3ig1 s TYR 183 Ca -0.10 -0.70 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 3ig1 s TYR 183 Cb -0.16 -0.81 0.00 0.00 0.35 0.00 0.00 41.96 41.34 3ig1 s TYR 183 CO 0.04 -0.80 0.00 -1.33 -1.34 0.00 0.00 175.55 172.11 3ig1 n MET 184 N 5.26 0.00 -0.37 4.97 2.81 -1.26 -1.68 117.12 126.86 3ig1 n MET 184 Ca -0.06 0.00 0.38 0.00 -1.81 0.00 0.00 57.70 56.21 3ig1 n MET 184 Cb 0.43 0.00 0.72 0.00 -0.71 0.00 0.00 33.22 33.66 3ig1 n MET 184 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 3ig1 h ASP 185 N 7.47 0.00 -2.89 7.83 3.04 -1.96 -3.44 116.42 126.46 3ig1 h ASP 185 Ca 0.00 0.00 -0.64 0.00 -3.24 0.00 0.00 57.03 53.15 3ig1 h ASP 185 Cb 0.00 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.21 3ig1 h ASP 185 CO 0.00 0.00 -0.42 -1.81 -2.04 0.00 0.00 179.24 174.97 3ig1 s ASP 186 N -4.51 6.42 -0.18 4.15 1.01 -0.68 0.20 116.67 123.09 3ig1 s ASP 186 Ca -0.04 0.50 -0.00 0.00 0.71 0.00 0.00 52.55 53.72 3ig1 s ASP 186 Cb 0.22 -2.11 0.04 0.00 1.01 0.00 0.00 42.92 42.07 3ig1 s ASP 186 CO 0.74 0.32 -0.07 -0.22 0.21 0.00 0.00 175.17 176.15 3ig1 s LEU 187 N -0.60 1.84 -0.22 1.23 2.96 0.13 -1.47 118.68 122.56 3ig1 s LEU 187 Ca 0.15 -0.75 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 3ig1 s LEU 187 Cb -0.13 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 3ig1 s LEU 187 CO 0.04 -0.17 0.18 -0.47 -1.32 0.00 0.00 176.35 174.61 3ig1 s TYR 188 N 1.55 3.36 -0.22 5.38 5.04 0.26 -0.10 117.35 132.61 3ig1 s TYR 188 Ca -0.00 0.31 0.02 0.00 -2.44 0.00 0.00 57.07 54.96 3ig1 s TYR 188 Cb -0.16 -2.26 0.05 0.00 0.35 0.00 0.00 41.96 39.94 3ig1 s TYR 188 CO -0.08 0.14 -0.12 0.08 -1.34 0.00 0.00 175.55 174.23 3ig1 s VAL 189 N 0.83 1.93 0.11 3.14 1.01 0.37 -1.51 120.40 126.28 3ig1 s VAL 189 Ca 0.09 -1.26 0.10 0.00 0.00 0.00 0.00 61.98 60.91 3ig1 s VAL 189 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3ig1 s VAL 189 CO 0.03 0.14 -0.26 -0.83 0.00 0.00 0.00 175.10 174.19 3ig1 s GLY 190 N 1.26 1.48 -0.15 4.51 0.00 0.06 -1.25 107.32 113.23 3ig1 s GLY 190 Ca -0.03 -1.39 -0.31 0.00 0.00 0.00 0.00 44.72 42.99 3ig1 s GLY 190 CO -0.08 -1.36 1.09 -1.35 0.00 0.00 0.00 173.10 171.40 3ig1 s SER 191 N -1.89 -0.25 -0.44 1.64 1.04 -0.21 -1.20 113.70 112.39 3ig1 s SER 191 Ca 0.12 0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.58 3ig1 s SER 191 Cb -0.10 0.23 0.08 0.00 0.10 0.00 0.00 66.02 66.34 3ig1 s SER 191 CO 0.05 -0.33 0.32 -1.81 0.98 0.00 0.00 173.24 172.45 3ig1 s ASP 192 N -1.71 5.82 0.24 7.02 1.01 -1.26 -0.72 116.67 127.07 3ig1 s ASP 192 Ca 0.05 -1.50 -0.11 0.00 0.71 0.00 0.00 52.55 51.70 3ig1 s ASP 192 Cb -0.01 -2.06 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 3ig1 s ASP 192 CO -0.04 -0.60 0.41 -0.76 0.21 0.00 0.00 175.17 174.40 3ig1 s LEU 193 N 1.49 0.47 0.94 1.23 1.43 -1.26 -4.99 118.68 118.00 3ig1 s LEU 193 Ca 0.04 -1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 51.99 3ig1 s LEU 193 Cb -0.24 1.51 0.16 0.00 0.03 0.00 0.00 46.19 47.65 3ig1 s LEU 193 CO 0.03 -1.08 1.17 -1.83 0.23 0.00 0.00 176.35 174.86 3ig1 s GLU 194 N -4.04 0.86 0.26 1.70 -1.05 -1.26 -4.46 118.70 110.70 3ig1 s GLU 194 Ca 0.25 0.13 -0.05 0.00 -0.15 0.00 0.00 54.97 55.15 3ig1 s GLU 194 Cb 0.01 -1.82 0.31 0.00 -0.44 0.00 0.00 34.13 32.19 3ig1 s GLU 194 CO 0.09 -2.36 1.91 0.97 0.95 0.00 0.00 175.26 176.83 3ig1 h ILE 195 N -1.61 1.20 -0.06 1.83 6.09 -1.99 -2.39 117.51 120.58 3ig1 h ILE 195 Ca -0.49 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 62.56 3ig1 h ILE 195 Cb 1.31 -0.22 0.00 0.00 0.47 0.00 0.00 36.82 38.39 3ig1 h ILE 195 CO 0.55 0.24 0.00 0.61 -3.07 0.00 0.00 178.15 176.48 3ig1 n GLY 196 N -1.37 -0.29 0.06 8.18 0.00 -1.26 -2.52 105.19 107.98 3ig1 n GLY 196 Ca 0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 3ig1 n GLY 196 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ig1 n GLN 197 N -0.19 1.29 0.19 1.61 6.02 -1.06 -4.11 117.38 121.14 3ig1 n GLN 197 Ca 0.18 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 56.99 3ig1 n GLN 197 Cb 0.24 -1.39 -0.08 0.00 1.02 0.00 0.00 30.24 30.03 3ig1 n GLN 197 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3ig1 h HIS 198 N 0.00 -0.43 -0.84 1.08 2.76 -1.42 -1.67 115.15 114.62 3ig1 h HIS 198 Ca -0.32 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.03 3ig1 h HIS 198 Cb 1.66 0.14 -0.06 0.00 1.55 0.00 0.00 27.41 30.71 3ig1 h HIS 198 CO 0.00 -0.16 0.56 0.00 -1.30 0.00 0.00 177.93 177.03 3ig1 h ARG 199 N -0.65 0.38 0.37 5.26 3.08 -1.70 -0.54 114.38 120.58 3ig1 h ARG 199 Ca -0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3ig1 h ARG 199 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3ig1 h ARG 199 CO 0.08 0.25 -0.18 1.15 -1.07 0.00 0.00 179.97 180.20 3ig1 h THR 200 N 0.40 0.63 -0.79 2.04 2.02 -1.58 -2.32 112.91 113.31 3ig1 h THR 200 Ca 0.43 -0.39 0.07 0.00 0.77 0.00 0.00 66.41 67.28 3ig1 h THR 200 Cb 1.07 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 3ig1 h THR 200 CO -0.15 0.07 0.47 0.11 0.37 0.00 0.00 175.52 176.39 3ig1 h LYS 201 N -0.73 0.81 -0.72 6.66 6.56 -0.38 0.12 116.57 128.90 3ig1 h LYS 201 Ca -0.05 -0.05 0.15 0.00 -1.06 0.00 0.00 60.65 59.64 3ig1 h LYS 201 Cb 0.50 -0.18 -0.05 0.00 -0.57 0.00 0.00 32.23 31.93 3ig1 h LYS 201 CO 0.08 0.54 0.48 0.82 -2.06 0.00 0.00 179.45 179.31 3ig1 h ILE 202 N 0.83 0.79 -0.14 1.86 1.08 -1.03 0.23 117.51 121.14 3ig1 h ILE 202 Ca 0.36 -0.12 -0.10 0.00 -0.39 0.00 0.00 64.86 64.60 3ig1 h ILE 202 Cb 0.22 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 3ig1 h ILE 202 CO -0.19 0.07 -0.36 -0.08 -0.69 0.00 0.00 178.15 176.89 3ig1 h GLU 203 N 0.36 0.28 -0.01 2.37 4.81 -0.18 -1.88 114.58 120.33 3ig1 h GLU 203 Ca 0.35 -0.12 -0.24 0.00 -0.13 0.00 0.00 59.36 59.22 3ig1 h GLU 203 Cb 0.86 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.24 3ig1 h GLU 203 CO -0.10 0.61 -0.96 0.93 -0.73 0.00 0.00 179.01 178.76 3ig1 h GLU 204 N 0.24 0.50 -0.46 1.92 5.08 -0.29 -2.72 114.58 118.85 3ig1 h GLU 204 Ca 0.03 -0.53 -0.09 0.00 -1.00 0.00 0.00 59.36 57.77 3ig1 h GLU 204 Cb 0.75 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3ig1 h GLU 204 CO 0.06 1.17 -0.07 1.25 -1.00 0.00 0.00 179.01 180.41 3ig1 h LEU 205 N 0.29 0.79 -0.53 1.33 5.85 -0.91 -0.24 115.31 121.88 3ig1 h LEU 205 Ca -0.09 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.30 3ig1 h LEU 205 Cb 1.60 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 3ig1 h LEU 205 CO 0.17 0.90 -0.10 0.03 -0.34 0.00 0.00 178.44 179.10 3ig1 h ARG 206 N 0.74 1.00 -0.02 1.25 3.08 -1.36 -1.67 114.38 117.41 3ig1 h ARG 206 Ca 0.13 -0.37 -0.20 0.00 0.07 0.00 0.00 59.98 59.61 3ig1 h ARG 206 Cb 0.55 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3ig1 h ARG 206 CO 0.03 1.05 -0.85 1.96 -1.07 0.00 0.00 179.97 181.10 3ig1 h GLN 207 N 0.88 0.31 -0.09 0.04 4.20 -1.29 -2.63 115.11 116.52 3ig1 h GLN 207 Ca 0.14 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 3ig1 h GLN 207 Cb 0.67 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3ig1 h GLN 207 CO 0.05 0.99 -0.24 1.25 -0.67 0.00 0.00 178.83 180.21 3ig1 h HIS 208 N 0.18 0.17 0.04 2.96 2.76 -0.85 -0.80 115.15 119.62 3ig1 h HIS 208 Ca -0.05 -0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 57.86 3ig1 h HIS 208 Cb 1.46 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 30.37 3ig1 h HIS 208 CO 0.04 0.40 -1.03 -0.07 -1.30 0.00 0.00 177.93 175.97 3ig1 h LEU 209 N 0.15 0.37 -0.66 0.26 3.38 -1.26 -3.24 115.31 114.29 3ig1 h LEU 209 Ca 0.02 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 3ig1 h LEU 209 Cb 0.52 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3ig1 h LEU 209 CO 0.04 1.18 -0.42 0.25 0.09 0.00 0.00 178.44 179.58 3ig1 h LEU 210 N 0.12 0.59 0.00 1.67 5.85 -1.05 -2.62 115.31 119.87 3ig1 h LEU 210 Ca -0.08 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3ig1 h LEU 210 Cb 1.70 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.56 3ig1 h LEU 210 CO 0.16 0.94 0.00 0.54 -0.34 0.00 0.00 178.44 179.74 3ig1 n ARG 211 N -4.02 0.54 -0.01 1.25 1.74 -0.35 -1.34 116.66 114.47 3ig1 n ARG 211 Ca -0.02 0.01 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 3ig1 n ARG 211 Cb 0.53 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.49 3ig1 n ARG 211 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3ig1 n TRP 212 N -1.03 0.01 0.00 -1.55 7.02 -1.00 -5.01 117.44 115.88 3ig1 n TRP 212 Ca 0.13 -0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 3ig1 n TRP 212 Cb 0.07 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 3ig1 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ig1 n GLY 213 N 0.26 1.34 2.99 6.99 0.00 -0.45 -4.39 105.19 111.92 3ig1 n GLY 213 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3ig1 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ig1 s LEU 214 N 0.00 1.52 -0.30 0.99 1.02 -1.20 -4.84 118.68 115.88 3ig1 s LEU 214 Ca 0.00 -0.41 -0.28 0.00 0.02 0.00 0.00 54.13 53.46 3ig1 s LEU 214 Cb 0.00 -1.04 -0.02 0.00 0.02 0.00 0.00 46.19 45.14 3ig1 s LEU 214 CO 0.00 -0.06 1.85 0.28 0.02 0.00 0.00 176.35 178.44 3ig1 s THR 215 N 1.46 3.41 0.19 5.49 -1.32 -1.26 -4.07 115.64 119.54 3ig1 s THR 215 Ca 0.03 0.43 -0.31 0.00 -1.21 0.00 0.00 61.69 60.62 3ig1 s THR 215 Cb -0.13 -3.54 -0.09 0.00 -1.51 0.00 0.00 72.50 67.22 3ig1 s THR 215 CO -0.08 -0.34 1.46 0.28 -2.21 0.00 0.00 174.62 173.73 3ig1 s THR 216 N 6.94 2.84 0.07 5.08 -1.32 -1.26 -4.71 115.64 123.28 3ig1 s THR 216 Ca 0.83 0.64 -0.14 0.00 -1.21 0.00 0.00 61.69 61.81 3ig1 s THR 216 Cb -0.25 -3.41 -0.06 0.00 -1.51 0.00 0.00 72.50 67.27 3ig1 s THR 216 CO 0.34 0.07 0.47 -2.16 -2.21 0.00 0.00 174.62 171.13 3ig1 s PRO 217 N 0.50 3.94 0.56 7.08 0.04 -1.26 -5.04 135.00 140.82 3ig1 s PRO 217 Ca 0.64 0.43 0.05 0.00 0.04 0.00 0.00 61.00 62.16 3ig1 s PRO 217 Cb -0.41 -3.09 0.05 0.00 0.04 0.00 0.00 34.50 31.09 3ig1 s PRO 217 CO 0.36 0.59 0.41 -0.51 0.04 0.00 0.00 177.00 177.89 3ig1 s ASP 218 N -1.42 4.60 0.41 6.66 -0.00 -1.26 -4.66 116.67 121.00 3ig1 s ASP 218 Ca 0.31 -1.30 -0.23 0.00 -0.00 0.00 0.00 52.55 51.33 3ig1 s ASP 218 Cb -0.16 0.54 -0.09 0.00 -0.00 0.00 0.00 42.92 43.21 3ig1 s ASP 218 CO 0.17 -1.17 1.04 -1.59 -0.00 0.00 0.00 175.17 173.63 3ig1 s LYS 219 N -4.31 4.12 0.00 8.23 -2.85 -1.26 -5.01 119.74 118.67 3ig1 s LYS 219 Ca 0.32 1.48 0.00 0.00 -1.00 0.00 0.00 55.97 56.77 3ig1 s LYS 219 Cb -0.02 -2.47 0.00 0.00 -2.06 0.00 0.00 37.83 33.27 3ig1 s LYS 219 CO 0.20 -0.17 0.06 1.17 0.10 0.00 0.00 175.35 176.71 3ig1 n LYS 220 N -0.20 4.53 -3.42 1.78 4.81 -1.26 -4.93 118.16 119.47 3ig1 n LYS 220 Ca 0.06 -0.06 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 3ig1 n LYS 220 Cb 0.50 -0.46 -0.08 0.00 0.02 0.00 0.00 35.03 35.01 3ig1 n LYS 220 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 3ig1 s HIS 221 N -0.66 -0.84 -0.57 5.64 2.46 -1.26 -5.12 115.29 114.93 3ig1 s HIS 221 Ca 0.00 1.04 -0.06 0.00 0.47 0.00 0.00 55.06 56.51 3ig1 s HIS 221 Cb 0.00 0.11 0.15 0.00 -0.13 0.00 0.00 32.58 32.71 3ig1 s HIS 221 CO 0.00 -0.66 0.41 1.14 -2.47 0.00 0.00 174.74 173.16 3ig1 s GLN 222 N 2.57 2.57 0.28 2.88 0.00 -1.26 -5.05 119.66 121.65 3ig1 s GLN 222 Ca 0.09 -2.19 0.05 0.00 -0.00 0.00 0.00 55.36 53.31 3ig1 s GLN 222 Cb -0.15 -3.84 0.05 0.00 0.00 0.00 0.00 33.01 29.07 3ig1 s GLN 222 CO -0.15 -1.18 0.37 1.63 0.00 0.00 0.00 175.29 175.97 3ig1 n LYS 223 N 4.12 0.83 -0.44 9.60 4.76 -1.26 -5.13 118.16 130.64 3ig1 n LYS 223 Ca 0.03 -1.50 -0.10 0.00 -2.87 0.00 0.00 58.31 53.87 3ig1 n LYS 223 Cb 0.40 -0.10 0.08 0.00 -1.84 0.00 0.00 35.03 33.57 3ig1 n LYS 223 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3ig1 n GLU 224 N -1.58 -1.32 0.15 1.97 0.28 -1.26 -4.96 120.64 113.92 3ig1 n GLU 224 Ca 0.07 -0.62 0.11 0.00 -0.16 0.00 0.00 57.16 56.56 3ig1 n GLU 224 Cb 0.29 -0.52 0.54 0.00 1.43 0.00 0.00 31.44 33.18 3ig1 n GLU 224 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3ig1 n PRO 225 N -2.41 0.15 -1.59 3.44 -0.04 -1.26 -4.48 135.00 128.81 3ig1 n PRO 225 Ca 0.05 0.57 -0.39 0.00 -0.04 0.00 0.00 63.50 63.69 3ig1 n PRO 225 Cb 0.20 -1.92 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 3ig1 n PRO 225 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3ig1 s PRO 226 N -3.46 2.54 -0.18 0.54 0.04 -1.26 -4.76 135.00 128.45 3ig1 s PRO 226 Ca -0.00 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 3ig1 s PRO 226 Cb 0.07 -4.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.10 3ig1 s PRO 226 CO 0.25 -2.78 0.74 -0.06 0.04 0.00 0.00 177.00 175.20 3ig1 s PHE 227 N 10.52 3.40 -0.51 0.56 0.40 -0.27 -4.81 117.98 127.26 3ig1 s PHE 227 Ca 0.98 1.11 -0.17 0.00 -0.60 0.00 0.00 56.93 58.25 3ig1 s PHE 227 Cb -0.24 -2.92 0.09 0.00 0.51 0.00 0.00 43.02 40.46 3ig1 s PHE 227 CO 0.30 -0.22 0.51 -0.51 0.70 0.00 0.00 175.22 176.00 3ig1 s LEU 228 N 2.06 5.59 -0.49 -0.37 1.43 -1.26 0.23 118.68 125.87 3ig1 s LEU 228 Ca 0.34 -1.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.11 3ig1 s LEU 228 Cb -0.16 -2.26 0.13 0.00 0.03 0.00 0.00 46.19 43.93 3ig1 s LEU 228 CO 0.11 -0.81 0.25 0.86 0.23 0.00 0.00 176.35 176.99 3ig1 s TRP 229 N 1.99 2.71 -1.01 0.29 -0.00 -0.87 -4.81 118.94 117.23 3ig1 s TRP 229 Ca 0.07 -2.88 -0.03 0.00 -0.00 0.00 0.00 56.10 53.26 3ig1 s TRP 229 Cb -0.25 -2.45 0.00 0.00 -0.00 0.00 0.00 33.47 30.77 3ig1 s TRP 229 CO 0.07 -0.76 0.87 0.00 -0.00 0.00 0.00 176.95 177.13 3ig1 n MET 230 N 3.28 -5.78 0.00 5.86 0.00 -1.26 -3.44 117.12 115.77 3ig1 n MET 230 Ca 0.06 0.67 0.00 0.00 0.00 0.00 0.00 57.70 58.43 3ig1 n MET 230 Cb 0.33 -5.18 0.00 0.00 0.00 0.00 0.00 33.22 28.37 3ig1 n MET 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ig1 n GLY 231 N -1.39 1.32 3.88 3.17 0.00 -1.26 -5.06 105.19 105.85 3ig1 n GLY 231 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3ig1 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ig1 s TYR 232 N -2.30 3.59 -0.45 1.61 4.12 -1.22 -4.63 117.35 118.07 3ig1 s TYR 232 Ca 0.00 0.61 -0.16 0.00 0.02 0.00 0.00 57.07 57.54 3ig1 s TYR 232 Cb 0.00 -2.02 0.04 0.00 -1.52 0.00 0.00 41.96 38.47 3ig1 s TYR 232 CO 0.00 0.62 0.42 -1.21 0.02 0.00 0.00 175.55 175.40 3ig1 s GLU 233 N -1.67 3.03 -0.33 -0.62 2.02 0.25 -2.06 118.70 119.31 3ig1 s GLU 233 Ca 0.27 -1.05 -0.16 0.00 0.02 0.00 0.00 54.97 54.05 3ig1 s GLU 233 Cb -0.13 -4.05 -0.01 0.00 0.10 0.00 0.00 34.13 30.03 3ig1 s GLU 233 CO 0.15 -0.95 0.41 -0.51 0.02 0.00 0.00 175.26 174.38 3ig1 s LEU 234 N 1.93 4.33 0.32 1.80 1.43 0.13 0.09 118.68 128.71 3ig1 s LEU 234 Ca 0.08 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 3ig1 s LEU 234 Cb -0.20 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 3ig1 s LEU 234 CO 0.10 -0.35 0.18 -1.00 0.23 0.00 0.00 176.35 175.51 3ig1 s HIS 235 N 2.14 2.80 0.22 0.29 3.76 0.11 -1.11 115.29 123.50 3ig1 s HIS 235 Ca 0.14 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.57 3ig1 s HIS 235 Cb -0.16 -1.62 0.24 0.00 1.11 0.00 0.00 32.58 32.15 3ig1 s HIS 235 CO 0.12 0.34 1.58 -1.35 -0.85 0.00 0.00 174.74 174.57 3ig1 h PRO 236 N 1.49 -0.06 0.00 8.40 0.11 -1.95 -3.14 132.00 136.85 3ig1 h PRO 236 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3ig1 h PRO 236 Cb 1.25 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3ig1 h PRO 236 CO 0.61 -0.04 -0.22 -0.40 -0.21 0.00 0.00 178.00 177.75 3ig1 n ASP 237 N -5.48 1.75 -3.56 -2.05 5.68 -1.26 -4.86 116.55 106.77 3ig1 n ASP 237 Ca 0.09 -2.97 -0.11 0.00 -0.50 0.00 0.00 54.79 51.30 3ig1 n ASP 237 Cb 0.39 -0.40 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 3ig1 n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3ig1 s LYS 238 N -2.27 0.68 0.22 0.11 0.00 -1.19 -4.52 119.74 112.78 3ig1 s LYS 238 Ca 0.27 0.12 0.11 0.00 0.00 0.00 0.00 55.97 56.46 3ig1 s LYS 238 Cb 0.25 0.32 -0.05 0.00 0.00 0.00 0.00 37.83 38.35 3ig1 s LYS 238 CO -0.00 -0.22 -0.17 1.67 0.00 0.00 0.00 175.35 176.63 3ig1 s TRP 239 N -1.33 2.42 -0.02 1.78 1.48 -0.43 -0.71 118.94 122.14 3ig1 s TRP 239 Ca -0.02 -0.30 -0.03 0.00 -1.06 0.00 0.00 56.10 54.68 3ig1 s TRP 239 Cb -0.00 -1.14 0.00 0.00 -1.16 0.00 0.00 33.47 31.17 3ig1 s TRP 239 CO 0.02 0.58 0.08 0.99 -4.06 0.00 0.00 176.95 174.56 3ig1 s THR 240 N -1.99 0.02 -0.25 0.66 2.01 0.11 -2.23 115.64 113.98 3ig1 s THR 240 Ca 0.26 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3ig1 s THR 240 Cb -0.07 -0.19 0.04 0.00 0.01 0.00 0.00 72.50 72.29 3ig1 s THR 240 CO 0.14 -0.11 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.19 3ig1 s VAL 241 N -0.32 2.58 0.58 3.82 1.01 0.54 0.85 120.40 129.45 3ig1 s VAL 241 Ca -0.04 -1.28 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 3ig1 s VAL 241 Cb -0.03 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3ig1 s VAL 241 CO 0.00 0.11 1.19 -1.10 0.00 0.00 0.00 175.10 175.30 3ig1 s GLN 242 N 1.24 3.06 -0.17 2.72 -1.52 -1.26 -1.45 119.66 122.27 3ig1 s GLN 242 Ca -0.03 1.77 -0.37 0.00 -1.95 0.00 0.00 55.36 54.77 3ig1 s GLN 242 Cb -0.18 -1.95 -0.14 0.00 -0.22 0.00 0.00 33.01 30.53 3ig1 s GLN 242 CO -0.05 -1.12 1.80 -2.30 -0.25 0.00 0.00 175.29 173.37 3ig1 n PRO 243 N -1.54 1.66 -2.40 2.91 -0.02 -1.26 -4.87 135.00 129.48 3ig1 n PRO 243 Ca 0.13 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 3ig1 n PRO 243 Cb 0.50 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 3ig1 n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ig1 s ILE 244 N 3.70 4.05 -0.48 4.25 -1.09 -0.40 -4.97 121.20 126.26 3ig1 s ILE 244 Ca 0.95 1.44 -0.17 0.00 -2.23 0.00 0.00 60.65 60.64 3ig1 s ILE 244 Cb -0.88 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.14 3ig1 s ILE 244 CO 0.58 0.06 0.49 -0.69 -1.23 0.00 0.00 174.94 174.14 3ig1 s VAL 245 N 1.66 5.08 0.10 2.92 1.01 -1.26 -4.56 120.40 125.35 3ig1 s VAL 245 Ca 0.59 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 3ig1 s VAL 245 Cb -0.28 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 3ig1 s VAL 245 CO 0.26 -0.65 0.87 -0.76 0.00 0.00 0.00 175.10 174.82 3ig1 s LEU 246 N 2.07 4.50 0.38 3.92 1.02 -1.26 -5.01 118.68 124.30 3ig1 s LEU 246 Ca 0.09 1.66 -0.26 0.00 0.02 0.00 0.00 54.13 55.65 3ig1 s LEU 246 Cb -0.22 -3.42 -0.12 0.00 0.02 0.00 0.00 46.19 42.45 3ig1 s LEU 246 CO 0.09 0.02 1.05 -2.65 0.02 0.00 0.00 176.35 174.88 3ig1 n PRO 247 N 2.54 1.46 -3.87 1.29 -0.02 -1.26 -4.98 135.00 130.17 3ig1 n PRO 247 Ca -0.01 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.64 3ig1 n PRO 247 Cb 0.49 -2.04 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 3ig1 n PRO 247 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ig1 s GLU 248 N -1.89 2.69 0.22 -0.52 2.02 -1.26 -5.10 118.70 114.86 3ig1 s GLU 248 Ca 0.61 -1.10 -0.13 0.00 0.02 0.00 0.00 54.97 54.37 3ig1 s GLU 248 Cb -0.59 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.44 3ig1 s GLU 248 CO 0.58 -0.53 0.44 -1.59 0.02 0.00 0.00 175.26 174.17 3ig1 s LYS 249 N 1.34 1.42 -0.08 1.61 -2.85 -1.26 -5.08 119.74 114.84 3ig1 s LYS 249 Ca -0.02 -1.17 -0.25 0.00 -1.00 0.00 0.00 55.97 53.54 3ig1 s LYS 249 Cb -0.18 0.46 -0.28 0.00 -2.06 0.00 0.00 37.83 35.76 3ig1 s LYS 249 CO -0.01 -0.58 0.88 0.22 0.10 0.00 0.00 175.35 175.96 3ig1 h ASP 250 N 2.32 0.28 -3.27 0.03 -0.00 -2.03 -3.45 116.42 110.30 3ig1 h ASP 250 Ca -0.28 -0.94 -0.55 0.00 -0.00 0.00 0.00 57.03 55.26 3ig1 h ASP 250 Cb 1.25 -0.09 -0.37 0.00 -0.00 0.00 0.00 39.33 40.11 3ig1 h ASP 250 CO 0.39 1.19 -0.80 -0.44 -0.00 0.00 0.00 179.24 179.59 3ig1 s SER 251 N -6.62 2.63 0.28 2.28 0.01 -1.26 -5.08 113.70 105.94 3ig1 s SER 251 Ca -0.16 -0.54 -0.23 0.00 1.31 0.00 0.00 55.95 56.33 3ig1 s SER 251 Cb -0.00 -0.91 -0.09 0.00 0.21 0.00 0.00 66.02 65.22 3ig1 s SER 251 CO 0.77 -0.16 0.84 0.26 0.41 0.00 0.00 173.24 175.36 3ig1 s TRP 252 N 1.64 3.66 0.32 2.43 0.52 -1.24 -5.02 118.94 121.25 3ig1 s TRP 252 Ca 0.02 1.58 0.09 0.00 0.02 0.00 0.00 56.10 57.82 3ig1 s TRP 252 Cb -0.14 -2.77 -0.05 0.00 -1.15 0.00 0.00 33.47 29.36 3ig1 s TRP 252 CO -0.08 0.26 0.03 -0.08 0.02 0.00 0.00 176.95 177.10 3ig1 s THR 253 N -1.59 2.96 -0.65 2.01 -1.32 -1.26 -2.83 115.64 112.96 3ig1 s THR 253 Ca 0.47 -1.90 0.24 0.00 -1.21 0.00 0.00 61.69 59.29 3ig1 s THR 253 Cb -0.17 -2.83 0.26 0.00 -1.51 0.00 0.00 72.50 68.24 3ig1 s THR 253 CO 0.22 -0.25 1.74 0.52 -2.21 0.00 0.00 174.62 174.63 3ig1 n VAL 254 N -0.97 0.69 -0.10 5.08 0.31 -1.26 -0.63 118.33 121.45 3ig1 n VAL 254 Ca -0.05 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.35 3ig1 n VAL 254 Cb 0.61 -0.87 0.17 0.00 -0.91 0.00 0.00 33.84 32.84 3ig1 n VAL 254 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3ig1 n ASN 255 N -2.16 3.01 -0.00 4.52 4.05 -1.26 -3.27 115.26 120.14 3ig1 n ASN 255 Ca 0.04 -1.94 0.00 0.00 0.45 0.00 0.00 54.58 53.14 3ig1 n ASN 255 Cb 0.32 -0.25 -0.01 0.00 1.23 0.00 0.00 39.78 41.07 3ig1 n ASN 255 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3ig1 n ASP 256 N 0.77 4.56 0.17 1.20 8.00 -1.09 -4.32 116.55 125.84 3ig1 n ASP 256 Ca 0.14 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.68 3ig1 n ASP 256 Cb 0.45 0.83 0.19 0.00 -0.02 0.00 0.00 41.12 42.58 3ig1 n ASP 256 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ig1 h ILE 257 N 0.00 0.86 0.07 0.53 2.04 -1.03 -2.46 117.51 117.53 3ig1 h ILE 257 Ca -0.02 -1.85 -0.25 0.00 1.00 0.00 0.00 64.86 63.74 3ig1 h ILE 257 Cb 0.56 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3ig1 h ILE 257 CO 0.00 0.43 -1.10 0.06 0.00 0.00 0.00 178.15 177.53 3ig1 h GLN 258 N 0.00 0.25 0.00 2.37 3.07 -1.78 -2.79 115.11 116.22 3ig1 h GLN 258 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 58.65 58.37 3ig1 h GLN 258 Cb 1.13 0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.82 3ig1 h GLN 258 CO 0.06 1.13 0.00 1.63 0.09 0.00 0.00 178.83 181.74 3ig1 n LYS 259 N -3.57 0.20 -0.07 0.06 5.02 -1.17 -3.01 118.16 115.63 3ig1 n LYS 259 Ca -0.06 0.28 -0.11 0.00 -2.02 0.00 0.00 58.31 56.39 3ig1 n LYS 259 Cb 0.95 -1.79 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 3ig1 n LYS 259 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3ig1 h LEU 260 N 0.00 0.00 -1.38 -0.35 5.85 -1.28 -2.95 115.31 115.21 3ig1 h LEU 260 Ca 0.00 -0.69 0.05 0.00 0.84 0.00 0.00 57.88 58.08 3ig1 h LEU 260 Cb 0.56 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3ig1 h LEU 260 CO 0.00 0.92 0.46 0.58 -0.34 0.00 0.00 178.44 180.06 3ig1 h VAL 261 N -1.00 1.06 -0.50 1.05 2.07 -1.54 0.59 116.25 117.98 3ig1 h VAL 261 Ca -0.03 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3ig1 h VAL 261 Cb 0.77 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3ig1 h VAL 261 CO -0.02 0.14 0.17 1.23 0.02 0.00 0.00 177.57 179.11 3ig1 h GLY 262 N 0.78 0.82 0.74 2.17 0.00 -1.65 0.41 103.07 106.35 3ig1 h GLY 262 Ca 0.29 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3ig1 h GLY 262 CO -0.09 0.45 -0.09 0.50 0.00 0.00 0.00 176.54 177.31 3ig1 h LYS 263 N 0.67 -0.24 -0.74 4.80 1.57 -0.99 -1.42 116.57 120.22 3ig1 h LYS 263 Ca 0.16 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.09 3ig1 h LYS 263 Cb 0.25 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.53 3ig1 h LYS 263 CO -0.01 0.04 0.30 -0.07 -0.57 0.00 0.00 179.45 179.14 3ig1 h LEU 264 N -0.51 0.30 0.67 2.94 4.07 0.37 0.15 115.31 123.30 3ig1 h LEU 264 Ca -0.03 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 3ig1 h LEU 264 Cb 0.39 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 3ig1 h LEU 264 CO 0.04 0.12 -0.41 0.78 -1.08 0.00 0.00 178.44 177.90 3ig1 h ASN 265 N 0.46 -1.02 -0.72 -0.43 2.35 -0.06 1.39 115.58 117.55 3ig1 h ASN 265 Ca 0.40 0.06 0.16 0.00 -0.55 0.00 0.00 56.30 56.37 3ig1 h ASN 265 Cb 0.58 0.30 -0.12 0.00 0.05 0.00 0.00 38.32 39.13 3ig1 h ASN 265 CO -0.38 -0.64 0.08 -0.25 -1.65 0.00 0.00 177.43 174.59 3ig1 h TRP 266 N -1.02 0.10 0.00 1.19 7.01 -0.29 0.70 115.95 123.64 3ig1 h TRP 266 Ca -0.09 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 3ig1 h TRP 266 Cb 0.82 0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.95 3ig1 h TRP 266 CO -0.09 -0.17 -0.06 0.00 -2.79 0.00 0.00 178.44 175.33 3ig1 h ALA 267 N 1.64 0.98 -0.76 2.65 0.00 -0.35 -3.26 119.26 120.17 3ig1 h ALA 267 Ca 0.40 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.37 3ig1 h ALA 267 Cb 0.70 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3ig1 h ALA 267 CO -0.58 0.07 0.50 0.77 0.00 0.00 0.00 179.25 180.02 3ig1 h SER 268 N 0.00 0.53 -0.11 0.00 0.02 0.83 0.57 113.55 115.39 3ig1 h SER 268 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3ig1 h SER 268 Cb 0.81 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3ig1 h SER 268 CO 0.01 0.30 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 3ig1 n GLN 269 N -4.50 2.04 -0.09 3.45 10.64 -1.18 -4.16 117.38 123.59 3ig1 n GLN 269 Ca 0.13 -1.53 -0.17 0.00 -1.83 0.00 0.00 57.00 53.60 3ig1 n GLN 269 Cb 0.40 -1.46 -0.07 0.00 -0.86 0.00 0.00 30.24 28.25 3ig1 n GLN 269 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 3ig1 n ILE 270 N 0.82 1.02 -3.86 -0.39 2.08 -0.47 -5.00 119.36 113.55 3ig1 n ILE 270 Ca 0.17 -0.31 -0.35 0.00 0.56 0.00 0.00 62.75 62.82 3ig1 n ILE 270 Cb 0.47 -1.51 -0.05 0.00 -0.75 0.00 0.00 39.64 37.80 3ig1 n ILE 270 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 3ig1 s TYR 271 N -2.35 3.58 0.34 1.39 1.51 0.19 -4.83 117.35 117.18 3ig1 s TYR 271 Ca -0.25 0.48 -0.26 0.00 -1.01 0.00 0.00 57.07 56.04 3ig1 s TYR 271 Cb 0.09 -1.92 -0.10 0.00 -0.11 0.00 0.00 41.96 39.92 3ig1 s TYR 271 CO 0.36 0.68 0.98 -2.14 -1.11 0.00 0.00 175.55 174.32 3ig1 s PRO 272 N -1.52 4.48 -1.36 -1.71 0.02 -1.26 -4.32 135.00 129.33 3ig1 s PRO 272 Ca 0.22 1.41 -0.04 0.00 0.02 0.00 0.00 61.00 62.62 3ig1 s PRO 272 Cb -0.13 -2.76 0.02 0.00 0.02 0.00 0.00 34.50 31.65 3ig1 s PRO 272 CO 0.12 0.16 0.82 0.41 -0.33 0.00 0.00 177.00 178.19 3ig1 n GLY 273 N 0.55 -0.36 3.42 0.52 0.00 -1.26 -4.93 105.19 103.13 3ig1 n GLY 273 Ca 0.02 0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3ig1 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig1 s ILE 274 N -3.53 5.37 -0.44 -0.61 -1.09 -1.26 -4.90 121.20 114.74 3ig1 s ILE 274 Ca 0.20 -2.90 -0.28 0.00 -2.23 0.00 0.00 60.65 55.44 3ig1 s ILE 274 Cb -0.10 -4.80 0.01 0.00 -1.58 0.00 0.00 42.46 35.98 3ig1 s ILE 274 CO 0.81 -1.47 1.48 -0.54 -1.23 0.00 0.00 174.94 173.99 3ig1 s LYS 275 N 0.59 3.45 -0.11 2.79 1.02 -1.26 -4.90 119.74 121.31 3ig1 s LYS 275 Ca 0.38 0.89 0.15 0.00 0.02 0.00 0.00 55.97 57.41 3ig1 s LYS 275 Cb -0.05 -4.08 0.30 0.00 -0.52 0.00 0.00 37.83 33.47 3ig1 s LYS 275 CO -0.03 -1.73 1.19 1.33 -0.92 0.00 0.00 175.35 175.19 3ig1 n VAL 276 N 7.09 1.80 0.48 3.17 0.24 -1.26 -4.76 118.33 125.09 3ig1 n VAL 276 Ca 0.17 -1.93 0.13 0.00 -2.04 0.00 0.00 64.34 60.67 3ig1 n VAL 276 Cb 0.48 -0.09 0.35 0.00 -1.47 0.00 0.00 33.84 33.11 3ig1 n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3ig1 h ARG 277 N 0.50 0.00 0.07 7.34 1.12 -2.01 -3.22 114.38 118.18 3ig1 h ARG 277 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.58 3ig1 h ARG 277 Cb 1.01 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.94 3ig1 h ARG 277 CO 0.05 0.00 -1.55 1.96 -3.11 0.00 0.00 179.97 177.32 3ig1 h GLN 278 N 0.00 0.14 -0.00 0.20 1.08 -1.92 -3.34 115.11 111.27 3ig1 h GLN 278 Ca 0.00 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3ig1 h GLN 278 Cb 0.78 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 3ig1 h GLN 278 CO 0.00 0.93 -0.07 1.28 -0.95 0.00 0.00 178.83 180.02 3ig1 n LEU 279 N -3.32 0.34 -0.01 1.46 4.77 -1.22 -3.00 117.00 116.03 3ig1 n LEU 279 Ca -0.15 0.05 0.10 0.00 -0.03 0.00 0.00 56.01 55.98 3ig1 n LEU 279 Cb 1.03 -0.18 -0.15 0.00 -2.33 0.00 0.00 43.42 41.79 3ig1 n LEU 279 CO 0.48 0.06 -0.52 -0.24 -1.33 0.00 0.00 177.39 175.84 3ig1 n SER 280 N -0.99 0.43 -0.23 -1.43 2.88 -1.23 -4.17 113.62 108.88 3ig1 n SER 280 Ca 0.16 -0.33 0.13 0.00 -1.33 0.00 0.00 58.87 57.49 3ig1 n SER 280 Cb 0.25 1.64 0.32 0.00 -0.75 0.00 0.00 64.21 65.68 3ig1 n SER 280 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3ig1 n LYS 281 N -1.98 0.74 0.06 -1.46 2.85 -1.16 -2.55 118.16 114.65 3ig1 n LYS 281 Ca -0.01 -0.45 0.05 0.00 -1.05 0.00 0.00 58.31 56.84 3ig1 n LYS 281 Cb 0.47 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.31 3ig1 n LYS 281 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3ig1 n LEU 282 N -0.74 0.84 -3.84 -5.58 4.77 -1.25 -4.88 117.00 106.32 3ig1 n LEU 282 Ca 0.11 0.35 -0.29 0.00 -0.03 0.00 0.00 56.01 56.15 3ig1 n LEU 282 Cb 0.35 0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 3ig1 n LEU 282 CO 0.28 0.01 -0.11 -0.22 -1.33 0.00 0.00 177.39 176.01 3ig1 s LEU 283 N -5.59 4.18 -0.29 2.23 2.96 -1.06 -5.03 118.68 116.08 3ig1 s LEU 283 Ca -0.02 -3.48 -0.19 0.00 -0.22 0.00 0.00 54.13 50.22 3ig1 s LEU 283 Cb 0.09 -1.46 0.13 0.00 0.50 0.00 0.00 46.19 45.45 3ig1 s LEU 283 CO 0.80 -0.14 0.96 -0.13 -1.32 0.00 0.00 176.35 176.53 3ig1 s ARG 284 N -0.88 0.45 -0.20 1.98 1.81 -1.26 -4.90 118.95 115.95 3ig1 s ARG 284 Ca 0.23 0.70 0.00 0.00 -1.72 0.00 0.00 55.73 54.94 3ig1 s ARG 284 Cb -0.10 0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.53 3ig1 s ARG 284 CO -0.12 -0.08 0.00 0.41 -0.68 0.00 0.00 175.30 174.83 3ig1 n GLY 285 N 3.29 0.21 3.10 -3.53 0.00 -1.26 -4.94 105.19 102.06 3ig1 n GLY 285 Ca -0.17 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3ig1 n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ig1 s THR 286 N -1.23 2.38 -0.12 2.61 -4.23 -1.26 -5.13 115.64 108.66 3ig1 s THR 286 Ca 0.00 -1.49 -0.23 0.00 -1.18 0.00 0.00 61.69 58.79 3ig1 s THR 286 Cb 0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 3ig1 s THR 286 CO 0.00 0.01 0.70 -1.59 -0.54 0.00 0.00 174.62 173.20 3ig1 s LYS 287 N 1.16 4.35 -0.11 3.99 -2.85 -1.26 -5.08 119.74 119.94 3ig1 s LYS 287 Ca -0.07 0.82 0.02 0.00 -1.00 0.00 0.00 55.97 55.74 3ig1 s LYS 287 Cb -0.19 -3.50 0.01 0.00 -2.06 0.00 0.00 37.83 32.09 3ig1 s LYS 287 CO -0.05 -0.08 -0.16 0.00 0.10 0.00 0.00 175.35 175.16 3ig1 s ALA 288 N 1.32 1.78 -0.17 0.59 0.00 -1.26 -4.77 121.76 119.25 3ig1 s ALA 288 Ca 0.35 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 51.31 3ig1 s ALA 288 Cb -0.17 -0.86 -0.22 0.00 0.00 0.00 0.00 23.12 21.87 3ig1 s ALA 288 CO 0.15 -0.08 0.39 1.25 0.00 0.00 0.00 175.76 177.47 3ig1 h LEU 289 N 7.42 0.10 -6.01 0.00 7.12 -2.08 -3.43 115.31 118.43 3ig1 h LEU 289 Ca -0.31 -0.69 -0.57 0.00 0.13 0.00 0.00 57.88 56.44 3ig1 h LEU 289 Cb 1.18 -0.03 -0.40 0.00 -0.53 0.00 0.00 40.66 40.87 3ig1 h LEU 289 CO 0.50 1.45 -0.92 0.41 -0.13 0.00 0.00 178.44 179.75 3ig1 n THR 290 N -4.31 0.63 -3.95 1.05 -1.04 -1.26 -5.06 114.28 100.34 3ig1 n THR 290 Ca -0.27 -4.58 -0.23 0.00 -2.04 0.00 0.00 64.05 56.94 3ig1 n THR 290 Cb 0.71 -1.79 -0.17 0.00 -1.82 0.00 0.00 70.33 67.26 3ig1 n THR 290 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3ig1 s GLU 291 N -1.90 0.86 -0.12 -2.82 0.41 -1.26 -5.12 118.70 108.76 3ig1 s GLU 291 Ca 0.38 -0.04 -0.06 0.00 -0.41 0.00 0.00 54.97 54.84 3ig1 s GLU 291 Cb 0.19 -1.04 0.05 0.00 -1.78 0.00 0.00 34.13 31.55 3ig1 s GLU 291 CO -0.08 -0.21 0.28 0.08 -0.49 0.00 0.00 175.26 174.84 3ig1 s VAL 292 N 1.52 -0.04 -0.13 2.63 1.01 -1.26 -4.51 120.40 119.62 3ig1 s VAL 292 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 3ig1 s VAL 292 Cb -0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3ig1 s VAL 292 CO -0.04 0.05 -0.12 -0.63 0.00 0.00 0.00 175.10 174.37 3ig1 s ILE 293 N 1.23 3.16 0.30 2.22 1.01 -1.13 -5.07 121.20 122.92 3ig1 s ILE 293 Ca -0.09 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 3ig1 s ILE 293 Cb -0.10 -2.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.95 3ig1 s ILE 293 CO -0.09 0.52 0.86 -2.16 0.00 0.00 0.00 174.94 174.07 3ig1 s PRO 294 N 0.32 4.40 0.50 2.79 0.04 -1.26 -3.63 135.00 138.16 3ig1 s PRO 294 Ca -0.10 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.00 3ig1 s PRO 294 Cb -0.16 -2.75 0.11 0.00 0.04 0.00 0.00 34.50 31.74 3ig1 s PRO 294 CO 0.05 0.28 0.68 1.28 0.04 0.00 0.00 177.00 179.33 3ig1 n LEU 295 N 0.46 0.00 -0.74 -3.56 4.77 -1.26 -5.05 117.00 111.61 3ig1 n LEU 295 Ca 0.01 -0.99 0.05 0.00 -0.03 0.00 0.00 56.01 55.05 3ig1 n LEU 295 Cb 0.51 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.32 3ig1 n LEU 295 CO 0.43 -0.93 0.63 0.35 -1.33 0.00 0.00 177.39 176.54 3ig1 n THR 296 N -2.69 2.27 -0.91 -5.08 -2.24 -1.26 -4.96 114.28 99.41 3ig1 n THR 296 Ca 0.09 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.45 3ig1 n THR 296 Cb 0.33 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3ig1 n THR 296 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3ig1 n GLU 297 N -1.01 -0.52 0.00 -0.78 0.00 -1.26 -4.44 120.64 112.63 3ig1 n GLU 297 Ca 0.24 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.52 3ig1 n GLU 297 Cb 0.85 -3.68 0.00 0.00 0.00 0.00 0.00 31.44 28.61 3ig1 n GLU 297 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ig1 n GLU 298 N -1.55 0.16 0.00 5.31 -0.58 -1.26 -4.50 120.64 118.23 3ig1 n GLU 298 Ca 0.00 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 3ig1 n GLU 298 Cb 0.13 -0.57 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 3ig1 n GLU 298 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ig1 n ALA 299 N -0.04 1.22 0.04 0.62 0.00 -1.26 -4.11 120.51 116.98 3ig1 n ALA 299 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3ig1 n ALA 299 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 3ig1 n ALA 299 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ig1 n GLU 300 N -0.87 0.62 0.01 0.00 4.07 -1.26 -2.66 120.64 120.56 3ig1 n GLU 300 Ca 0.00 0.12 -0.07 0.00 -0.06 0.00 0.00 57.16 57.15 3ig1 n GLU 300 Cb 0.00 -1.76 -0.13 0.00 -0.06 0.00 0.00 31.44 29.49 3ig1 n GLU 300 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3ig1 h LEU 301 N 0.00 0.00 0.08 4.31 5.85 -1.81 -2.65 115.31 121.09 3ig1 h LEU 301 Ca -0.11 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3ig1 h LEU 301 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3ig1 h LEU 301 CO 0.02 0.97 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.98 3ig1 h GLU 302 N 0.00 -0.10 -0.34 1.25 4.81 -1.71 -0.82 114.58 117.66 3ig1 h GLU 302 Ca -0.17 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.16 3ig1 h GLU 302 Cb 1.89 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.28 3ig1 h GLU 302 CO 0.10 0.45 0.45 1.25 -0.73 0.00 0.00 179.01 180.53 3ig1 h LEU 303 N -0.86 0.00 0.35 1.64 5.85 -1.65 0.63 115.31 121.28 3ig1 h LEU 303 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3ig1 h LEU 303 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3ig1 h LEU 303 CO 0.02 0.00 -0.17 0.00 -0.34 0.00 0.00 178.44 177.95 3ig1 h ALA 304 N 1.41 -0.47 -0.50 1.25 0.00 -1.07 -1.70 119.26 118.18 3ig1 h ALA 304 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ig1 h ALA 304 Cb 1.06 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3ig1 h ALA 304 CO -0.00 -0.53 0.32 1.49 0.00 0.00 0.00 179.25 180.53 3ig1 h GLU 305 N -0.96 0.62 0.31 0.00 4.57 0.13 -1.48 114.58 117.77 3ig1 h GLU 305 Ca -0.05 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3ig1 h GLU 305 Cb 0.52 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3ig1 h GLU 305 CO 0.08 0.41 -0.17 -0.91 -1.18 0.00 0.00 179.01 177.24 3ig1 h ASN 306 N 0.64 -0.40 -0.80 1.04 2.35 -0.09 -2.23 115.58 116.10 3ig1 h ASN 306 Ca 0.19 0.02 0.21 0.00 -0.55 0.00 0.00 56.30 56.17 3ig1 h ASN 306 Cb -0.03 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 3ig1 h ASN 306 CO -0.06 -0.28 0.56 -0.09 -1.65 0.00 0.00 177.43 175.91 3ig1 h ARG 307 N -0.45 0.12 -0.05 0.81 2.43 -1.06 0.49 114.38 116.69 3ig1 h ARG 307 Ca -0.04 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.90 3ig1 h ARG 307 Cb 0.35 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3ig1 h ARG 307 CO 0.06 0.08 -0.87 1.49 -1.51 0.00 0.00 179.97 179.22 3ig1 h GLU 308 N 0.13 0.52 -0.00 0.20 4.57 -0.74 -3.20 114.58 116.05 3ig1 h GLU 308 Ca 0.39 -0.50 -0.20 0.00 -1.18 0.00 0.00 59.36 57.88 3ig1 h GLU 308 Cb 1.34 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.05 3ig1 h GLU 308 CO -0.05 1.13 -0.86 0.82 -1.18 0.00 0.00 179.01 178.86 3ig1 h ILE 309 N 0.32 1.47 0.00 2.32 2.04 -0.42 -3.07 117.51 120.18 3ig1 h ILE 309 Ca -0.07 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.25 3ig1 h ILE 309 Cb 1.49 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 3ig1 h ILE 309 CO 0.16 0.74 0.00 0.18 0.00 0.00 0.00 178.15 179.23 3ig1 n LEU 310 N -3.69 0.00 0.01 1.44 4.77 -0.12 -3.45 117.00 115.96 3ig1 n LEU 310 Ca -0.04 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.07 3ig1 n LEU 310 Cb 0.79 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 42.32 3ig1 n LEU 310 CO 0.48 0.00 0.73 1.17 -1.33 0.00 0.00 177.39 178.44 3ig1 n LYS 311 N -0.94 0.04 -4.77 3.23 3.00 -1.16 -1.27 118.16 116.28 3ig1 n LYS 311 Ca 0.21 0.02 -0.33 0.00 -0.00 0.00 0.00 58.31 58.21 3ig1 n LYS 311 Cb 0.10 -1.54 -0.14 0.00 0.00 0.00 0.00 35.03 33.45 3ig1 n LYS 311 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3ig1 s GLU 312 N -3.02 3.10 0.72 1.64 2.56 -1.22 -4.79 118.70 117.68 3ig1 s GLU 312 Ca 0.12 -0.66 -0.16 0.00 0.00 0.00 0.00 54.97 54.27 3ig1 s GLU 312 Cb 0.18 -2.57 0.02 0.00 2.00 0.00 0.00 34.13 33.75 3ig1 s GLU 312 CO 0.61 0.37 1.14 -2.30 -0.56 0.00 0.00 175.26 174.52 3ig1 n PRO 313 N 3.06 0.62 -4.97 4.30 -0.02 -1.26 -4.64 135.00 132.09 3ig1 n PRO 313 Ca -0.18 0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 61.25 3ig1 n PRO 313 Cb 0.53 -2.38 -0.17 0.00 -0.02 0.00 0.00 33.50 31.46 3ig1 n PRO 313 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ig1 s VAL 314 N -1.75 2.18 0.15 -1.45 1.01 -0.53 -4.98 120.40 115.02 3ig1 s VAL 314 Ca 0.76 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.87 3ig1 s VAL 314 Cb -0.34 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3ig1 s VAL 314 CO 0.47 0.55 -0.21 -1.00 0.00 0.00 0.00 175.10 174.91 3ig1 s HIS 315 N 0.52 1.95 0.02 5.22 3.76 -1.26 -0.34 115.29 125.16 3ig1 s HIS 315 Ca -0.14 -0.42 -0.28 0.00 -0.15 0.00 0.00 55.06 54.07 3ig1 s HIS 315 Cb -0.17 -1.01 0.10 0.00 1.11 0.00 0.00 32.58 32.61 3ig1 s HIS 315 CO 0.05 0.32 0.95 0.20 -0.85 0.00 0.00 174.74 175.41 3ig1 s GLY 316 N -2.37 -0.39 0.57 -2.22 0.00 -0.95 -4.95 107.32 97.01 3ig1 s GLY 316 Ca 0.14 0.84 0.04 0.00 0.00 0.00 0.00 44.72 45.73 3ig1 s GLY 316 CO 0.06 0.26 0.79 -1.34 0.00 0.00 0.00 173.10 172.88 3ig1 s VAL 317 N -3.07 2.51 0.55 1.40 -7.23 -0.83 -1.31 120.40 112.42 3ig1 s VAL 317 Ca 0.07 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.50 3ig1 s VAL 317 Cb -0.01 -2.73 0.05 0.00 0.56 0.00 0.00 36.38 34.25 3ig1 s VAL 317 CO -0.06 0.00 0.77 -0.31 -0.31 0.00 0.00 175.10 175.19 3ig1 s TYR 318 N -2.76 2.50 -0.16 2.82 1.51 -1.26 -4.54 117.35 115.46 3ig1 s TYR 318 Ca 0.60 -0.21 -0.23 0.00 -1.01 0.00 0.00 57.07 56.22 3ig1 s TYR 318 Cb -0.08 -2.66 -0.02 0.00 -0.11 0.00 0.00 41.96 39.09 3ig1 s TYR 318 CO 0.39 -0.94 0.72 -0.47 -1.11 0.00 0.00 175.55 174.14 3ig1 s TYR 319 N -2.72 3.43 -0.54 2.71 5.04 -0.58 -4.93 117.35 119.75 3ig1 s TYR 319 Ca 0.59 1.11 -0.04 0.00 -2.44 0.00 0.00 57.07 56.29 3ig1 s TYR 319 Cb -0.09 -2.88 0.14 0.00 0.35 0.00 0.00 41.96 39.48 3ig1 s TYR 319 CO 0.38 -0.15 0.36 0.34 -1.34 0.00 0.00 175.55 175.14 3ig1 s ASP 320 N 1.11 5.39 0.36 4.32 2.15 -1.26 -4.06 116.67 124.69 3ig1 s ASP 320 Ca 0.34 -2.43 0.13 0.00 0.43 0.00 0.00 52.55 51.03 3ig1 s ASP 320 Cb -0.16 -1.89 0.73 0.00 -0.30 0.00 0.00 42.92 41.30 3ig1 s ASP 320 CO 0.12 -0.49 1.31 1.55 -0.17 0.00 0.00 175.17 177.50 3ig1 h PRO 321 N 7.62 0.00 -0.00 4.34 0.13 -2.00 -1.82 132.00 140.28 3ig1 h PRO 321 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3ig1 h PRO 321 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3ig1 h PRO 321 CO 0.73 0.00 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.33 3ig1 n SER 322 N -2.12 0.05 -4.51 1.44 3.41 -1.26 -4.87 113.62 105.76 3ig1 n SER 322 Ca -0.01 0.33 -0.25 0.00 -0.26 0.00 0.00 58.87 58.69 3ig1 n SER 322 Cb 0.37 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.82 3ig1 n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ig1 s LYS 323 N -2.94 1.84 0.77 4.33 1.02 -0.68 -5.12 119.74 118.96 3ig1 s LYS 323 Ca 0.16 -1.59 -0.13 0.00 0.02 0.00 0.00 55.97 54.43 3ig1 s LYS 323 Cb 0.19 -1.92 0.06 0.00 -0.52 0.00 0.00 37.83 35.64 3ig1 s LYS 323 CO 0.54 0.36 1.16 -0.51 -0.92 0.00 0.00 175.35 175.97 3ig1 s ASP 324 N -3.32 4.06 -0.17 2.83 1.01 -1.26 -4.96 116.67 114.87 3ig1 s ASP 324 Ca 0.28 2.16 -0.07 0.00 0.71 0.00 0.00 52.55 55.64 3ig1 s ASP 324 Cb -0.06 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3ig1 s ASP 324 CO 0.15 -2.34 0.05 -0.22 0.21 0.00 0.00 175.17 173.02 3ig1 s LEU 325 N -5.61 3.74 0.02 1.23 2.96 -1.26 -4.40 118.68 115.36 3ig1 s LEU 325 Ca 0.69 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.75 3ig1 s LEU 325 Cb -0.24 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3ig1 s LEU 325 CO 0.50 0.19 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.84 3ig1 s ILE 326 N 0.27 1.96 -0.08 6.68 -1.09 0.20 -1.01 121.20 128.13 3ig1 s ILE 326 Ca 0.03 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 3ig1 s ILE 326 Cb -0.13 -1.66 0.02 0.00 -1.58 0.00 0.00 42.46 39.11 3ig1 s ILE 326 CO 0.01 0.39 -0.07 0.00 -1.23 0.00 0.00 174.94 174.04 3ig1 s ALA 327 N -0.72 1.06 -0.08 9.38 0.00 0.69 -0.26 121.76 131.84 3ig1 s ALA 327 Ca 0.10 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.77 3ig1 s ALA 327 Cb -0.09 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 3ig1 s ALA 327 CO 0.01 -0.20 -0.22 -2.00 0.00 0.00 0.00 175.76 173.35 3ig1 s GLU 328 N 1.30 2.61 0.02 0.00 2.12 0.05 -0.50 118.70 124.30 3ig1 s GLU 328 Ca -0.04 -0.80 0.08 0.00 0.36 0.00 0.00 54.97 54.58 3ig1 s GLU 328 Cb -0.14 -2.06 -0.02 0.00 0.26 0.00 0.00 34.13 32.16 3ig1 s GLU 328 CO -0.03 0.22 -0.23 0.42 -0.54 0.00 0.00 175.26 175.10 3ig1 s ILE 329 N 0.22 1.84 0.16 -3.70 1.01 -1.04 -0.61 121.20 119.09 3ig1 s ILE 329 Ca -0.13 -1.17 0.06 0.00 0.00 0.00 0.00 60.65 59.41 3ig1 s ILE 329 Cb -0.16 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 3ig1 s ILE 329 CO 0.06 0.36 -0.12 -1.10 0.00 0.00 0.00 174.94 174.14 3ig1 s GLN 330 N -0.96 1.14 -0.27 2.79 1.11 0.99 -4.14 119.66 120.33 3ig1 s GLN 330 Ca 0.09 -1.47 -0.12 0.00 0.01 0.00 0.00 55.36 53.88 3ig1 s GLN 330 Cb -0.09 -0.82 -0.05 0.00 -1.01 0.00 0.00 33.01 31.04 3ig1 s GLN 330 CO 0.01 0.12 0.21 0.21 0.01 0.00 0.00 175.29 175.85 3ig1 s LYS 331 N -3.56 3.99 -0.09 2.91 2.20 -1.26 -1.76 119.74 122.18 3ig1 s LYS 331 Ca 0.17 -0.25 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 3ig1 s LYS 331 Cb 0.00 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.62 3ig1 s LYS 331 CO 0.03 -0.13 -0.04 0.94 -0.36 0.00 0.00 175.35 175.79 3ig1 n GLN 332 N 4.88 1.22 0.00 4.03 -0.06 -0.43 -4.55 117.38 122.47 3ig1 n GLN 332 Ca -0.13 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 54.90 3ig1 n GLN 332 Cb 0.52 -1.20 0.00 0.00 -4.06 0.00 0.00 30.24 25.50 3ig1 n GLN 332 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ig1 n GLY 333 N 2.84 3.10 3.45 1.69 0.00 -0.95 -4.89 105.19 110.44 3ig1 n GLY 333 Ca -0.15 -1.92 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 3ig1 n GLY 333 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ig1 n GLN 334 N -0.50 -6.11 -2.24 1.61 -0.06 -1.26 -1.84 117.38 106.98 3ig1 n GLN 334 Ca 0.00 0.78 -0.04 0.00 -2.00 0.00 0.00 57.00 55.74 3ig1 n GLN 334 Cb 0.00 -5.71 0.00 0.00 -4.06 0.00 0.00 30.24 20.47 3ig1 n GLN 334 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ig1 n GLY 335 N -1.72 0.35 3.26 1.69 0.00 -1.26 -4.84 105.19 102.67 3ig1 n GLY 335 Ca -0.03 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 3ig1 n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ig1 s GLN 336 N -4.47 1.63 -0.02 1.61 2.00 -0.77 0.45 119.66 120.10 3ig1 s GLN 336 Ca 0.03 -0.90 -0.04 0.00 -2.00 0.00 0.00 55.36 52.44 3ig1 s GLN 336 Cb -0.01 -1.68 0.00 0.00 0.80 0.00 0.00 33.01 32.12 3ig1 s GLN 336 CO 0.03 0.44 0.10 -1.58 -0.50 0.00 0.00 175.29 173.79 3ig1 s TRP 337 N -0.67 -0.02 0.00 1.67 0.52 -0.29 -1.32 118.94 118.83 3ig1 s TRP 337 Ca 0.09 0.05 0.07 0.00 0.02 0.00 0.00 56.10 56.32 3ig1 s TRP 337 Cb -0.09 -0.02 -0.03 0.00 -1.15 0.00 0.00 33.47 32.19 3ig1 s TRP 337 CO 0.01 -0.14 -0.21 0.95 0.02 0.00 0.00 176.95 177.57 3ig1 s THR 338 N -0.59 2.49 0.01 2.01 -4.23 -0.72 -0.97 115.64 113.64 3ig1 s THR 338 Ca -0.07 -1.09 -0.03 0.00 -1.18 0.00 0.00 61.69 59.32 3ig1 s THR 338 Cb -0.04 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 3ig1 s THR 338 CO 0.00 0.48 0.04 -0.72 -0.54 0.00 0.00 174.62 173.88 3ig1 s TYR 339 N -0.76 0.15 -0.03 3.99 -0.85 -1.01 -0.00 117.35 118.83 3ig1 s TYR 339 Ca 0.12 -0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.36 3ig1 s TYR 339 Cb -0.10 -0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.13 3ig1 s TYR 339 CO 0.02 -0.22 -0.08 -0.65 -1.52 0.00 0.00 175.55 173.10 3ig1 s GLN 340 N -1.33 0.95 -0.18 -3.49 1.11 0.23 -1.20 119.66 115.75 3ig1 s GLN 340 Ca -0.14 -0.25 -0.04 0.00 0.01 0.00 0.00 55.36 54.95 3ig1 s GLN 340 Cb -0.08 -0.89 -0.02 0.00 -1.01 0.00 0.00 33.01 31.00 3ig1 s GLN 340 CO 0.00 0.05 -0.04 0.42 0.01 0.00 0.00 175.29 175.72 3ig1 s ILE 341 N 0.43 3.66 0.27 1.08 1.01 0.41 -0.77 121.20 127.29 3ig1 s ILE 341 Ca -0.07 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 3ig1 s ILE 341 Cb -0.11 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 3ig1 s ILE 341 CO 0.01 0.46 0.48 -0.72 0.00 0.00 0.00 174.94 175.18 3ig1 s TYR 342 N 0.78 0.50 -0.04 3.97 -0.85 0.64 -0.59 117.35 121.76 3ig1 s TYR 342 Ca -0.02 -0.85 -0.00 0.00 -0.52 0.00 0.00 57.07 55.68 3ig1 s TYR 342 Cb -0.15 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.32 3ig1 s TYR 342 CO 0.02 -1.04 -0.04 1.04 -1.52 0.00 0.00 175.55 174.01 3ig1 n GLN 343 N -0.42 0.10 -4.40 -3.49 6.02 -1.26 0.58 117.38 114.52 3ig1 n GLN 343 Ca -0.01 0.03 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 3ig1 n GLN 343 Cb 0.62 -0.99 -0.14 0.00 1.02 0.00 0.00 30.24 30.75 3ig1 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3ig1 s GLU 344 N -2.08 3.42 0.01 -1.09 2.02 -1.26 -4.85 118.70 114.87 3ig1 s GLU 344 Ca -0.06 -0.64 -0.39 0.00 0.02 0.00 0.00 54.97 53.91 3ig1 s GLU 344 Cb 0.02 -2.81 -0.18 0.00 0.10 0.00 0.00 34.13 31.26 3ig1 s GLU 344 CO 0.09 0.07 1.23 -0.35 0.02 0.00 0.00 175.26 176.33 3ig1 n PRO 345 N 3.98 0.56 -0.98 0.39 -0.04 -1.26 -1.09 135.00 136.55 3ig1 n PRO 345 Ca -0.18 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3ig1 n PRO 345 Cb 0.52 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3ig1 n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ig1 n PHE 346 N 2.19 0.00 -3.89 0.54 3.01 -1.26 -4.95 117.46 113.10 3ig1 n PHE 346 Ca 0.20 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.36 3ig1 n PHE 346 Cb 0.13 -0.42 -0.12 0.00 -0.01 0.00 0.00 39.48 39.05 3ig1 n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3ig1 s LYS 347 N -0.41 2.34 0.19 -1.08 -0.14 -0.25 -5.09 119.74 115.31 3ig1 s LYS 347 Ca 0.00 -3.04 -0.30 0.00 -1.36 0.00 0.00 55.97 51.28 3ig1 s LYS 347 Cb 0.00 -3.44 -0.08 0.00 -1.68 0.00 0.00 37.83 32.63 3ig1 s LYS 347 CO 0.00 -1.21 0.94 -0.80 -0.76 0.00 0.00 175.35 173.51 3ig1 s ASN 348 N -0.83 7.59 -0.12 2.83 0.01 -1.26 -4.13 114.94 119.02 3ig1 s ASN 348 Ca 0.22 1.88 -0.11 0.00 -0.71 0.00 0.00 52.86 54.14 3ig1 s ASN 348 Cb -0.14 -2.60 -0.26 0.00 0.41 0.00 0.00 41.25 38.67 3ig1 s ASN 348 CO -0.09 0.09 0.40 -0.07 -1.51 0.00 0.00 177.10 175.92 3ig1 h LEU 349 N 4.61 0.37 -7.11 0.60 3.38 -1.12 -2.21 115.31 113.83 3ig1 h LEU 349 Ca -0.44 -0.87 -0.06 0.00 0.09 0.00 0.00 57.88 56.60 3ig1 h LEU 349 Cb 1.20 -0.12 -0.23 0.00 0.09 0.00 0.00 40.66 41.61 3ig1 h LEU 349 CO 0.69 1.76 -0.07 -0.75 0.09 0.00 0.00 178.44 180.16 3ig1 s LYS 350 N -2.52 0.63 0.00 1.13 2.20 -1.10 -4.63 119.74 115.46 3ig1 s LYS 350 Ca -0.22 0.93 0.07 0.00 -0.36 0.00 0.00 55.97 56.38 3ig1 s LYS 350 Cb 0.06 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.57 3ig1 s LYS 350 CO 0.75 -0.12 -0.22 0.95 -0.36 0.00 0.00 175.35 176.35 3ig1 s THR 351 N 0.91 1.77 0.01 3.43 -4.23 -1.26 -0.45 115.64 115.83 3ig1 s THR 351 Ca -0.05 -1.05 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 3ig1 s THR 351 Cb -0.05 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.30 3ig1 s THR 351 CO -0.08 0.42 0.02 0.61 -0.54 0.00 0.00 174.62 175.05 3ig1 n GLY 352 N 2.31 2.80 3.14 3.99 0.00 -0.34 -4.56 105.19 112.52 3ig1 n GLY 352 Ca -0.16 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 3ig1 n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ig1 s LYS 353 N -2.02 0.31 -0.08 1.61 2.20 -1.26 -2.42 119.74 118.08 3ig1 s LYS 353 Ca 0.01 0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.99 3ig1 s LYS 353 Cb -0.00 0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.46 3ig1 s LYS 353 CO 0.01 -0.04 -0.23 -0.47 -0.36 0.00 0.00 175.35 174.25 3ig1 s TYR 354 N 0.06 2.41 0.08 4.03 5.04 -0.14 -4.49 117.35 124.35 3ig1 s TYR 354 Ca -0.01 -0.88 0.02 0.00 -2.44 0.00 0.00 57.07 53.77 3ig1 s TYR 354 Cb -0.02 -1.61 -0.04 0.00 0.35 0.00 0.00 41.96 40.65 3ig1 s TYR 354 CO 0.00 -0.33 0.13 0.00 -1.34 0.00 0.00 175.55 174.01 3ig1 s ALA 355 N 0.17 3.71 0.57 3.97 0.00 -1.26 -1.14 121.76 127.78 3ig1 s ALA 355 Ca -0.13 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 3ig1 s ALA 355 Cb -0.16 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 3ig1 s ALA 355 CO 0.07 0.75 1.24 0.50 0.00 0.00 0.00 175.76 178.31 3ig1 s ARG 356 N -2.51 3.08 0.01 0.00 3.00 0.17 -4.98 118.95 117.73 3ig1 s ARG 356 Ca 0.31 1.92 -0.23 0.00 -1.00 0.00 0.00 55.73 56.73 3ig1 s ARG 356 Cb -0.12 -2.05 -0.05 0.00 0.00 0.00 0.00 34.95 32.72 3ig1 s ARG 356 CO 0.24 -1.15 0.70 0.00 0.00 0.00 0.00 175.30 175.09 3ig1 s MET 357 N -3.16 4.43 0.02 5.12 0.23 -1.26 -4.98 119.30 119.69 3ig1 s MET 357 Ca 0.75 0.92 -0.37 0.00 -1.03 0.00 0.00 55.69 55.96 3ig1 s MET 357 Cb -0.33 -3.37 -0.16 0.00 -1.53 0.00 0.00 34.83 29.44 3ig1 s MET 357 CO 0.37 0.28 1.46 0.54 -2.03 0.00 0.00 175.02 175.63 3ig1 n ARG 358 N 2.92 1.28 -3.64 3.16 5.12 -1.26 -4.98 116.66 119.26 3ig1 n ARG 358 Ca -0.04 0.46 -0.02 0.00 -1.93 0.00 0.00 57.85 56.32 3ig1 n ARG 358 Cb 0.51 -2.13 -0.03 0.00 -1.16 0.00 0.00 32.46 29.64 3ig1 n ARG 358 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3ig1 s GLY 359 N 1.21 -0.00 0.07 -0.13 0.00 -1.26 -5.08 107.32 102.14 3ig1 s GLY 359 Ca 0.87 2.54 -0.31 0.00 0.00 0.00 0.00 44.72 47.82 3ig1 s GLY 359 CO 0.50 0.96 1.65 0.00 0.00 0.00 0.00 173.10 176.21 3ig1 h ALA 360 N 2.04 -0.72 -2.19 3.20 0.00 -1.97 -3.45 119.26 116.18 3ig1 h ALA 360 Ca -0.07 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.11 3ig1 h ALA 360 Cb 1.17 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.13 3ig1 h ALA 360 CO 0.21 -0.90 -0.67 -1.01 0.00 0.00 0.00 179.25 176.88 3ig1 s HIS 361 N -6.08 2.58 -0.01 0.00 3.76 -1.26 -1.97 115.29 112.30 3ig1 s HIS 361 Ca -0.17 -0.26 -0.29 0.00 -0.15 0.00 0.00 55.06 54.19 3ig1 s HIS 361 Cb 0.04 -1.16 0.11 0.00 1.11 0.00 0.00 32.58 32.68 3ig1 s HIS 361 CO 0.63 0.64 1.29 -0.08 -0.85 0.00 0.00 174.74 176.36 3ig1 s THR 362 N -2.38 0.00 0.04 1.30 -1.32 -0.95 -5.01 115.64 107.31 3ig1 s THR 362 Ca 0.31 -0.20 -0.21 0.00 -1.21 0.00 0.00 61.69 60.39 3ig1 s THR 362 Cb -0.06 -2.49 0.05 0.00 -1.51 0.00 0.00 72.50 68.49 3ig1 s THR 362 CO 0.19 0.00 0.48 0.54 -2.21 0.00 0.00 174.62 173.61 3ig1 s ASN 363 N -3.40 -0.38 0.32 8.08 2.20 -1.26 -0.62 114.94 119.88 3ig1 s ASN 363 Ca 0.22 0.13 0.10 0.00 -0.94 0.00 0.00 52.86 52.37 3ig1 s ASN 363 Cb 0.02 0.46 0.93 0.00 -2.00 0.00 0.00 41.25 40.66 3ig1 s ASN 363 CO -0.02 -0.68 1.68 0.44 -2.94 0.00 0.00 177.10 175.58 3ig1 h ASP 364 N 2.93 0.46 -0.34 3.54 3.32 -1.95 -2.20 116.42 122.18 3ig1 h ASP 364 Ca -0.31 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3ig1 h ASP 364 Cb 1.20 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 3ig1 h ASP 364 CO 0.42 -0.06 0.16 0.58 -1.72 0.00 0.00 179.24 178.62 3ig1 h VAL 365 N 0.39 1.17 0.00 -1.35 2.07 -1.97 -1.45 116.25 115.10 3ig1 h VAL 365 Ca 0.66 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 3ig1 h VAL 365 Cb 1.39 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3ig1 h VAL 365 CO -0.57 0.18 -0.16 0.11 0.02 0.00 0.00 177.57 177.15 3ig1 h LYS 366 N 0.41 0.00 -0.12 1.57 1.57 -1.83 -2.35 116.57 115.82 3ig1 h LYS 366 Ca 0.12 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.68 3ig1 h LYS 366 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.46 3ig1 h LYS 366 CO -0.01 0.16 -0.77 1.96 -0.57 0.00 0.00 179.45 180.22 3ig1 h GLN 367 N 0.00 0.73 0.18 3.15 4.20 -1.24 -2.19 115.11 119.95 3ig1 h GLN 367 Ca -0.00 -0.63 -0.01 0.00 0.06 0.00 0.00 58.65 58.07 3ig1 h GLN 367 Cb 0.28 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3ig1 h GLN 367 CO 0.02 1.23 -0.09 1.25 -0.67 0.00 0.00 178.83 180.58 3ig1 h LEU 368 N 0.43 -0.21 -0.76 1.46 5.85 -1.03 -0.91 115.31 120.15 3ig1 h LEU 368 Ca -0.06 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.78 3ig1 h LEU 368 Cb 1.41 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.40 3ig1 h LEU 368 CO 0.16 -0.12 0.31 0.74 -0.34 0.00 0.00 178.44 179.18 3ig1 h THR 369 N -0.27 0.66 -0.02 1.05 2.02 -1.47 0.33 112.91 115.22 3ig1 h THR 369 Ca -0.02 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 3ig1 h THR 369 Cb 0.21 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3ig1 h THR 369 CO 0.04 0.08 -0.27 -0.33 0.37 0.00 0.00 175.52 175.41 3ig1 h GLU 370 N 0.45 0.03 -0.03 6.66 5.08 -0.90 -2.40 114.58 123.47 3ig1 h GLU 370 Ca 0.41 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 3ig1 h GLU 370 Cb 0.62 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3ig1 h GLU 370 CO -0.40 0.31 -0.01 0.00 -1.00 0.00 0.00 179.01 177.90 3ig1 h ALA 371 N 1.70 0.04 -0.61 3.43 0.00 0.97 -2.75 119.26 122.05 3ig1 h ALA 371 Ca 0.00 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.79 3ig1 h ALA 371 Cb 0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3ig1 h ALA 371 CO 0.04 -0.24 0.23 0.28 0.00 0.00 0.00 179.25 179.56 3ig1 h VAL 372 N -0.33 0.78 0.00 0.00 2.07 -0.79 0.17 116.25 118.14 3ig1 h VAL 372 Ca 0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3ig1 h VAL 372 Cb 0.43 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3ig1 h VAL 372 CO 0.00 0.08 -0.09 1.56 0.02 0.00 0.00 177.57 179.14 3ig1 h GLN 373 N 0.41 0.00 0.08 1.57 1.08 -1.44 0.46 115.11 117.26 3ig1 h GLN 373 Ca 0.30 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.39 3ig1 h GLN 373 Cb 0.37 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.81 3ig1 h GLN 373 CO -0.30 0.09 -0.49 -0.22 -0.95 0.00 0.00 178.83 176.96 3ig1 h LYS 374 N 0.00 0.16 0.18 1.46 3.11 -0.96 -2.69 116.57 117.83 3ig1 h LYS 374 Ca -0.00 -0.28 -0.01 0.00 -2.81 0.00 0.00 60.65 57.55 3ig1 h LYS 374 Cb 0.62 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 3ig1 h LYS 374 CO 0.01 1.13 -0.08 0.82 -2.81 0.00 0.00 179.45 178.52 3ig1 h ILE 375 N -0.65 0.86 -0.56 2.00 2.04 -0.83 -1.38 117.51 119.00 3ig1 h ILE 375 Ca -0.09 -0.17 0.11 0.00 1.00 0.00 0.00 64.86 65.71 3ig1 h ILE 375 Cb 1.37 0.97 -0.11 0.00 -0.74 0.00 0.00 36.82 38.30 3ig1 h ILE 375 CO 0.08 0.04 -0.27 0.74 0.00 0.00 0.00 178.15 178.73 3ig1 h THR 376 N -0.32 0.25 -0.36 -0.27 2.02 -0.19 0.15 112.91 114.19 3ig1 h THR 376 Ca -0.02 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 3ig1 h THR 376 Cb 0.25 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3ig1 h THR 376 CO 0.04 0.00 -0.09 0.74 0.37 0.00 0.00 175.52 176.58 3ig1 h THR 377 N -0.13 1.24 -0.34 3.16 2.02 -1.29 -2.18 112.91 115.39 3ig1 h THR 377 Ca 0.24 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 3ig1 h THR 377 Cb 0.52 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3ig1 h THR 377 CO -0.64 0.35 -0.07 -0.33 0.37 0.00 0.00 175.52 175.20 3ig1 h GLU 378 N 0.57 0.65 -0.18 6.66 5.08 0.04 -2.53 114.58 124.87 3ig1 h GLU 378 Ca 0.11 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3ig1 h GLU 378 Cb 0.49 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3ig1 h GLU 378 CO 0.03 0.81 0.10 0.77 -1.00 0.00 0.00 179.01 179.72 3ig1 h SER 379 N 0.44 0.16 -0.66 1.42 0.02 -0.62 -1.90 113.55 112.40 3ig1 h SER 379 Ca 0.09 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3ig1 h SER 379 Cb 0.57 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 3ig1 h SER 379 CO 0.03 0.12 0.44 0.40 -1.14 0.00 0.00 176.83 176.68 3ig1 h ILE 380 N 0.21 1.01 -0.27 3.27 2.04 -1.26 0.51 117.51 123.02 3ig1 h ILE 380 Ca 0.07 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 3ig1 h ILE 380 Cb -0.00 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3ig1 h ILE 380 CO -0.04 0.12 -0.27 0.58 0.00 0.00 0.00 178.15 178.54 3ig1 h VAL 381 N 0.66 1.31 0.13 1.67 2.07 -0.96 -0.84 116.25 120.30 3ig1 h VAL 381 Ca 0.29 -1.44 -0.18 0.00 0.82 0.00 0.00 66.70 66.19 3ig1 h VAL 381 Cb 0.28 1.62 0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3ig1 h VAL 381 CO -0.09 0.46 -0.78 0.40 0.02 0.00 0.00 177.57 177.58 3ig1 h ILE 382 N 0.39 1.52 -0.01 4.57 2.04 -0.70 -3.40 117.51 121.92 3ig1 h ILE 382 Ca 0.04 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.38 3ig1 h ILE 382 Cb 0.84 3.20 0.00 0.00 -0.74 0.00 0.00 36.82 40.12 3ig1 h ILE 382 CO 0.07 0.71 -0.24 0.79 0.00 0.00 0.00 178.15 179.47 3ig1 n TRP 383 N -4.15 0.00 -0.95 1.37 8.01 0.17 -4.76 117.44 117.13 3ig1 n TRP 383 Ca -0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.05 3ig1 n TRP 383 Cb 0.80 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.10 3ig1 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ig1 n GLY 384 N 0.94 0.58 3.20 6.99 0.00 -0.32 -4.97 105.19 111.61 3ig1 n GLY 384 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3ig1 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ig1 s LYS 385 N -0.33 1.16 -0.25 1.61 -2.85 -1.26 -4.89 119.74 112.93 3ig1 s LYS 385 Ca 0.00 -1.60 -0.10 0.00 -1.00 0.00 0.00 55.97 53.27 3ig1 s LYS 385 Cb 0.00 0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 3ig1 s LYS 385 CO 0.00 -0.36 0.16 0.99 0.10 0.00 0.00 175.35 176.23 3ig1 s THR 386 N -4.13 5.26 0.80 3.79 2.01 -1.26 -2.89 115.64 119.22 3ig1 s THR 386 Ca 0.36 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.40 3ig1 s THR 386 Cb 0.07 -3.46 0.07 0.00 0.01 0.00 0.00 72.50 69.19 3ig1 s THR 386 CO 0.10 0.33 1.09 -2.16 -0.69 0.00 0.00 174.62 173.29 3ig1 s PRO 387 N 1.20 2.09 0.25 4.92 0.04 -1.26 -4.90 135.00 137.34 3ig1 s PRO 387 Ca 0.07 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 3ig1 s PRO 387 Cb -0.14 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3ig1 s PRO 387 CO 0.06 -1.66 0.67 0.15 0.04 0.00 0.00 177.00 176.25 3ig1 s LYS 388 N -5.04 4.01 -0.14 4.56 1.02 -0.18 -4.85 119.74 119.11 3ig1 s LYS 388 Ca 0.61 0.60 -0.01 0.00 0.02 0.00 0.00 55.97 57.19 3ig1 s LYS 388 Cb -0.16 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 3ig1 s LYS 388 CO 0.55 0.29 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.11 3ig1 s PHE 389 N -1.77 2.87 -0.35 3.18 0.40 -1.02 -0.22 117.98 121.08 3ig1 s PHE 389 Ca 0.48 -0.57 -0.10 0.00 -0.60 0.00 0.00 56.93 56.13 3ig1 s PHE 389 Cb -0.13 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.54 3ig1 s PHE 389 CO 0.19 -0.18 0.19 0.15 0.70 0.00 0.00 175.22 176.27 3ig1 s LYS 390 N 0.40 2.96 0.07 0.44 -0.14 0.34 0.37 119.74 124.19 3ig1 s LYS 390 Ca -0.08 -0.98 0.09 0.00 -1.36 0.00 0.00 55.97 53.64 3ig1 s LYS 390 Cb -0.15 -3.67 -0.03 0.00 -1.68 0.00 0.00 37.83 32.30 3ig1 s LYS 390 CO 0.05 -0.61 -0.25 -0.51 -0.76 0.00 0.00 175.35 173.26 3ig1 s LEU 391 N 1.56 2.22 -1.25 3.17 1.43 -0.35 -2.49 118.68 122.98 3ig1 s LEU 391 Ca 0.03 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 3ig1 s LEU 391 Cb -0.19 -1.18 -0.08 0.00 0.03 0.00 0.00 46.19 44.78 3ig1 s LEU 391 CO 0.06 0.20 2.98 -0.81 0.23 0.00 0.00 176.35 179.02 3ig1 n PRO 392 N 1.50 3.50 -3.70 1.29 -0.04 -1.26 -1.01 135.00 135.29 3ig1 n PRO 392 Ca -0.17 -2.20 -0.11 0.00 -0.04 0.00 0.00 63.50 60.98 3ig1 n PRO 392 Cb 0.53 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.28 3ig1 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3ig1 s ILE 393 N 1.25 -0.02 0.62 0.52 2.07 -1.26 -0.98 121.20 123.40 3ig1 s ILE 393 Ca 0.66 0.06 -0.19 0.00 -1.41 0.00 0.00 60.65 59.77 3ig1 s ILE 393 Cb 0.21 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 42.13 3ig1 s ILE 393 CO -0.06 0.02 1.27 -1.10 -1.91 0.00 0.00 174.94 173.16 3ig1 s GLN 394 N 1.08 2.75 0.29 3.50 -1.52 -1.26 -4.63 119.66 119.87 3ig1 s GLN 394 Ca -0.07 2.00 0.02 0.00 -1.95 0.00 0.00 55.36 55.36 3ig1 s GLN 394 Cb -0.07 -1.91 0.45 0.00 -0.22 0.00 0.00 33.01 31.26 3ig1 s GLN 394 CO -0.09 -1.42 1.77 0.87 -0.25 0.00 0.00 175.29 176.16 3ig1 h LYS 395 N 0.75 0.56 -0.50 2.91 1.79 -1.99 -2.46 116.57 117.63 3ig1 h LYS 395 Ca -0.51 -0.17 -0.08 0.00 -2.18 0.00 0.00 60.65 57.71 3ig1 h LYS 395 Cb 1.32 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.89 3ig1 h LYS 395 CO 0.54 0.68 -0.00 0.93 -1.08 0.00 0.00 179.45 180.52 3ig1 h GLU 396 N 0.52 0.84 0.70 3.15 5.08 -2.00 -1.72 114.58 121.15 3ig1 h GLU 396 Ca 0.09 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3ig1 h GLU 396 Cb 0.52 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.68 3ig1 h GLU 396 CO 0.03 0.85 -0.33 1.15 -1.00 0.00 0.00 179.01 179.70 3ig1 h THR 397 N 0.78 0.24 -0.92 1.13 2.02 -1.83 -1.99 112.91 112.34 3ig1 h THR 397 Ca 0.15 -0.17 0.16 0.00 0.77 0.00 0.00 66.41 67.32 3ig1 h THR 397 Cb 0.48 0.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 3ig1 h THR 397 CO 0.02 0.02 0.59 -0.25 0.37 0.00 0.00 175.52 176.27 3ig1 h TRP 398 N -1.07 0.81 0.06 3.16 2.91 -1.41 -0.96 115.95 119.46 3ig1 h TRP 398 Ca -0.10 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.95 3ig1 h TRP 398 Cb 0.74 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 3ig1 h TRP 398 CO -0.01 0.27 -0.03 1.49 -1.03 0.00 0.00 178.44 179.13 3ig1 h GLU 399 N 0.66 -0.07 -0.99 2.65 4.81 -1.13 -1.97 114.58 118.53 3ig1 h GLU 399 Ca 0.48 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.82 3ig1 h GLU 399 Cb 0.83 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.15 3ig1 h GLU 399 CO -0.23 0.12 0.63 1.15 -0.73 0.00 0.00 179.01 179.95 3ig1 h THR 400 N -0.26 0.94 0.49 0.32 2.02 -0.54 -2.30 112.91 113.59 3ig1 h THR 400 Ca -0.01 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3ig1 h THR 400 Cb 0.23 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 3ig1 h THR 400 CO 0.01 0.18 -0.24 -0.25 0.37 0.00 0.00 175.52 175.60 3ig1 h TRP 401 N 1.00 -0.61 -0.07 3.16 2.91 -0.83 -3.00 115.95 118.51 3ig1 h TRP 401 Ca 0.48 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.43 3ig1 h TRP 401 Cb 0.45 0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 3ig1 h TRP 401 CO -0.00 -0.38 -0.21 0.11 -1.03 0.00 0.00 178.44 176.92 3ig1 h TRP 402 N -0.82 0.12 -0.01 2.65 5.08 -1.37 0.21 115.95 121.81 3ig1 h TRP 402 Ca -0.07 -0.02 -0.11 0.00 1.08 0.00 0.00 58.89 59.77 3ig1 h TRP 402 Cb 0.51 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 26.62 3ig1 h TRP 402 CO 0.06 0.33 -0.52 1.79 -1.28 0.00 0.00 178.44 178.82 3ig1 h THR 403 N 0.11 1.37 0.00 0.12 1.35 -1.52 -3.30 112.91 111.04 3ig1 h THR 403 Ca 0.02 -1.77 -0.35 0.00 -0.55 0.00 0.00 66.41 63.76 3ig1 h THR 403 Cb 0.44 1.94 -0.06 0.00 -1.73 0.00 0.00 68.15 68.74 3ig1 h THR 403 CO 0.03 0.51 -2.20 -0.62 -0.25 0.00 0.00 175.52 172.99 3ig1 n GLU 404 N -3.93 0.67 -1.66 4.72 -0.58 -1.01 -4.97 120.64 113.90 3ig1 n GLU 404 Ca -0.01 0.08 -0.44 0.00 -0.42 0.00 0.00 57.16 56.36 3ig1 n GLU 404 Cb 0.53 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 3ig1 n GLU 404 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3ig1 n TYR 405 N -2.84 1.95 0.33 -0.32 9.36 0.71 -4.85 117.16 121.49 3ig1 n TYR 405 Ca -0.29 0.54 0.13 0.00 3.32 0.00 0.00 57.90 61.61 3ig1 n TYR 405 Cb 1.13 -2.39 0.57 0.00 -0.63 0.00 0.00 39.34 38.02 3ig1 n TYR 405 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 3ig1 h TRP 406 N 3.21 0.00 -1.67 2.98 5.08 -1.90 -3.44 115.95 120.21 3ig1 h TRP 406 Ca -0.44 0.00 -0.45 0.00 1.08 0.00 0.00 58.89 59.08 3ig1 h TRP 406 Cb 1.30 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.46 3ig1 h TRP 406 CO 0.53 0.00 -0.34 -0.65 -1.28 0.00 0.00 178.44 176.70 3ig1 s GLN 407 N -3.45 2.91 0.02 0.12 -0.21 -1.26 -5.10 119.66 112.68 3ig1 s GLN 407 Ca 0.02 -1.18 -0.22 0.00 0.02 0.00 0.00 55.36 54.00 3ig1 s GLN 407 Cb 0.09 -2.70 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 3ig1 s GLN 407 CO 0.37 -0.06 0.65 0.00 -2.12 0.00 0.00 175.29 174.13 3ig1 s ALA 408 N -2.28 3.45 -0.11 6.09 0.00 -1.26 -5.01 121.76 122.64 3ig1 s ALA 408 Ca 0.48 0.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 3ig1 s ALA 408 Cb -0.08 -2.82 0.05 0.00 0.00 0.00 0.00 23.12 20.26 3ig1 s ALA 408 CO 0.31 0.14 0.49 -0.08 0.00 0.00 0.00 175.76 176.62 3ig1 s THR 409 N -0.19 0.02 -0.11 0.00 -1.32 -1.26 -5.17 115.64 107.60 3ig1 s THR 409 Ca 0.33 -0.13 -0.18 0.00 -1.21 0.00 0.00 61.69 60.50 3ig1 s THR 409 Cb -0.19 -0.75 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 3ig1 s THR 409 CO 0.19 -0.07 0.46 0.86 -2.21 0.00 0.00 174.62 173.85 3ig1 s TRP 410 N -0.48 -0.44 0.11 9.09 -0.00 -1.26 -4.99 118.94 120.97 3ig1 s TRP 410 Ca -0.06 0.96 0.10 0.00 -0.00 0.00 0.00 56.10 57.10 3ig1 s TRP 410 Cb -0.03 0.19 -0.04 0.00 -0.00 0.00 0.00 33.47 33.59 3ig1 s TRP 410 CO 0.04 -0.35 -0.25 0.42 -0.00 0.00 0.00 176.95 176.81 3ig1 s ILE 411 N -0.43 2.06 0.93 5.86 -1.09 -1.26 -5.01 121.20 122.26 3ig1 s ILE 411 Ca -0.06 -1.64 -0.16 0.00 -2.23 0.00 0.00 60.65 56.57 3ig1 s ILE 411 Cb -0.03 -1.83 0.23 0.00 -1.58 0.00 0.00 42.46 39.25 3ig1 s ILE 411 CO 0.03 0.07 0.99 -2.65 -1.23 0.00 0.00 174.94 172.16 3ig1 n PRO 412 N 1.08 -2.06 -1.56 2.79 -0.02 -1.26 -4.89 135.00 129.08 3ig1 n PRO 412 Ca -0.18 -1.56 -0.51 0.00 -2.02 0.00 0.00 63.50 59.22 3ig1 n PRO 412 Cb 0.53 -1.27 -0.05 0.00 -0.02 0.00 0.00 33.50 32.69 3ig1 n PRO 412 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ig1 n GLU 413 N -3.88 0.95 -3.54 -0.52 2.13 -1.26 -4.86 120.64 109.66 3ig1 n GLU 413 Ca 0.13 0.34 -0.16 0.00 0.66 0.00 0.00 57.16 58.13 3ig1 n GLU 413 Cb 0.49 -1.86 -0.05 0.00 0.27 0.00 0.00 31.44 30.28 3ig1 n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3ig1 s TRP 414 N -0.00 -0.55 0.12 4.31 1.48 -1.26 -2.43 118.94 120.61 3ig1 s TRP 414 Ca 0.78 0.79 0.08 0.00 -1.06 0.00 0.00 56.10 56.69 3ig1 s TRP 414 Cb -0.94 0.39 -0.04 0.00 -1.16 0.00 0.00 33.47 31.72 3ig1 s TRP 414 CO 0.51 -0.63 -0.20 -1.21 -4.06 0.00 0.00 176.95 171.36 3ig1 s GLU 415 N -1.87 1.15 0.12 3.25 2.02 0.16 -4.95 118.70 118.58 3ig1 s GLU 415 Ca -0.08 -1.22 -0.30 0.00 0.02 0.00 0.00 54.97 53.39 3ig1 s GLU 415 Cb -0.01 -1.35 -0.06 0.00 0.10 0.00 0.00 34.13 32.81 3ig1 s GLU 415 CO 0.03 0.30 1.08 0.12 0.02 0.00 0.00 175.26 176.81 3ig1 s PHE 416 N -1.40 3.62 -0.13 1.61 5.36 -1.26 -1.21 117.98 124.56 3ig1 s PHE 416 Ca 0.08 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 3ig1 s PHE 416 Cb -0.09 -3.24 0.02 0.00 -0.34 0.00 0.00 43.02 39.37 3ig1 s PHE 416 CO 0.05 -0.50 -0.13 0.54 -1.46 0.00 0.00 175.22 173.72 3ig1 s VAL 417 N 0.19 1.44 -1.31 3.12 0.11 -0.18 -4.85 120.40 118.91 3ig1 s VAL 417 Ca 0.51 -0.56 -0.16 0.00 -2.93 0.00 0.00 61.98 58.84 3ig1 s VAL 417 Cb -0.27 -1.36 0.09 0.00 -1.53 0.00 0.00 36.38 33.31 3ig1 s VAL 417 CO 0.32 0.43 1.78 -3.20 -3.33 0.00 0.00 175.10 171.11 3ig1 n ASN 418 N 4.68 4.80 -3.91 3.54 2.85 -1.26 -4.02 115.26 121.94 3ig1 n ASN 418 Ca -0.17 -2.93 -0.30 0.00 -0.11 0.00 0.00 54.58 51.07 3ig1 n ASN 418 Cb 0.50 -1.67 -0.14 0.00 1.24 0.00 0.00 39.78 39.71 3ig1 n ASN 418 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3ig1 s THR 419 N 3.17 2.10 0.61 -0.44 -4.23 -1.26 -5.11 115.64 110.49 3ig1 s THR 419 Ca 0.49 -2.67 -0.18 0.00 -1.18 0.00 0.00 61.69 58.15 3ig1 s THR 419 Cb 0.05 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.32 3ig1 s THR 419 CO 0.03 -0.74 0.70 -2.65 -0.54 0.00 0.00 174.62 171.41 3ig1 n PRO 420 N 3.74 0.61 -2.52 3.99 -0.02 -1.26 -4.37 135.00 135.18 3ig1 n PRO 420 Ca 0.05 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 3ig1 n PRO 420 Cb 0.37 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 3ig1 n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ig1 s PRO 421 N -2.46 4.44 0.33 0.52 0.04 -1.26 -4.91 135.00 131.70 3ig1 s PRO 421 Ca 0.71 1.64 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 3ig1 s PRO 421 Cb -0.42 -3.44 -0.10 0.00 0.04 0.00 0.00 34.50 30.58 3ig1 s PRO 421 CO 0.52 -0.26 0.97 -0.51 0.04 0.00 0.00 177.00 177.75 3ig1 s LEU 422 N 1.42 4.32 0.10 -3.56 1.43 -1.26 -4.48 118.68 116.65 3ig1 s LEU 422 Ca 0.56 1.90 -0.25 0.00 -1.03 0.00 0.00 54.13 55.30 3ig1 s LEU 422 Cb -0.25 -4.02 -0.07 0.00 0.03 0.00 0.00 46.19 41.88 3ig1 s LEU 422 CO 0.26 -0.14 0.77 -0.69 0.23 0.00 0.00 176.35 176.79 3ig1 s VAL 423 N -1.59 4.57 0.32 -1.59 1.01 -0.16 -5.03 120.40 117.93 3ig1 s VAL 423 Ca 0.51 1.67 -0.05 0.00 0.00 0.00 0.00 61.98 64.11 3ig1 s VAL 423 Cb -0.20 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.07 3ig1 s VAL 423 CO 0.25 0.43 0.51 1.17 0.00 0.00 0.00 175.10 177.47 3ig1 n LYS 424 N 2.29 0.74 -3.64 2.72 4.81 -1.26 -4.52 118.16 119.30 3ig1 n LYS 424 Ca -0.04 -2.25 -0.38 0.00 -0.87 0.00 0.00 58.31 54.77 3ig1 n LYS 424 Cb 0.50 2.35 -0.12 0.00 0.02 0.00 0.00 35.03 37.78 3ig1 n LYS 424 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3ig1 s LEU 425 N 0.00 3.96 0.10 3.14 1.43 -1.26 -4.78 118.68 121.27 3ig1 s LEU 425 Ca 0.21 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 3ig1 s LEU 425 Cb -0.02 -2.04 -0.16 0.00 0.03 0.00 0.00 46.19 44.00 3ig1 s LEU 425 CO 0.15 -0.11 1.25 -0.50 0.23 0.00 0.00 176.35 177.37 3ig1 h TRP 426 N 8.35 0.80 -4.06 0.29 4.06 -1.97 -3.47 115.95 119.95 3ig1 h TRP 426 Ca -0.35 -0.44 -0.13 0.00 2.06 0.00 0.00 58.89 60.03 3ig1 h TRP 426 Cb 1.17 -0.09 -0.17 0.00 -1.00 0.00 0.00 29.16 29.07 3ig1 h TRP 426 CO 0.69 1.27 -0.63 1.52 -3.56 0.00 0.00 178.44 177.73 3ig1 s TYR 427 N -3.27 0.37 -0.12 0.49 -0.85 -1.26 -4.72 117.35 107.98 3ig1 s TYR 427 Ca -0.08 -0.79 -0.04 0.00 -0.52 0.00 0.00 57.07 55.65 3ig1 s TYR 427 Cb 0.08 -0.27 0.05 0.00 0.38 0.00 0.00 41.96 42.20 3ig1 s TYR 427 CO 0.89 -0.34 0.08 -1.14 -1.52 0.00 0.00 175.55 173.52 3ig1 s GLN 428 N -3.03 0.02 0.56 -3.49 2.00 -1.26 -5.10 119.66 109.36 3ig1 s GLN 428 Ca -0.01 0.08 -0.19 0.00 -2.00 0.00 0.00 55.36 53.24 3ig1 s GLN 428 Cb 0.01 -1.36 -0.05 0.00 0.80 0.00 0.00 33.01 32.42 3ig1 s GLN 428 CO -0.07 -0.55 1.16 -0.51 -0.50 0.00 0.00 175.29 174.82 3ig1 s LEU 429 N 2.15 3.72 0.66 3.68 1.43 -1.26 -4.57 118.68 124.48 3ig1 s LEU 429 Ca 0.03 2.26 -0.08 0.00 -1.03 0.00 0.00 54.13 55.30 3ig1 s LEU 429 Cb -0.15 -4.59 0.02 0.00 0.03 0.00 0.00 46.19 41.50 3ig1 s LEU 429 CO -0.07 -1.36 1.00 -1.61 0.23 0.00 0.00 176.35 174.55 3ig1 s GLU 430 N -3.30 2.80 -0.14 1.70 0.41 -0.82 -4.98 118.70 114.36 3ig1 s GLU 430 Ca 0.74 0.17 0.13 0.00 -0.41 0.00 0.00 54.97 55.61 3ig1 s GLU 430 Cb -0.26 -2.15 -0.24 0.00 -1.78 0.00 0.00 34.13 29.70 3ig1 s GLU 430 CO 0.29 -0.92 0.30 1.63 -0.49 0.00 0.00 175.26 176.07 3ig1 n LYS 431 N -2.81 0.67 -4.52 1.61 4.76 -1.26 -4.72 118.16 111.88 3ig1 n LYS 431 Ca 0.06 0.14 -0.25 0.00 -2.87 0.00 0.00 58.31 55.39 3ig1 n LYS 431 Cb 0.58 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 32.02 3ig1 n LYS 431 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3ig1 s GLU 432 N -2.54 1.76 0.90 1.97 0.41 -1.26 -5.10 118.70 114.84 3ig1 s GLU 432 Ca -0.10 -1.90 -0.10 0.00 -0.41 0.00 0.00 54.97 52.46 3ig1 s GLU 432 Cb 0.07 -1.64 0.13 0.00 -1.78 0.00 0.00 34.13 30.92 3ig1 s GLU 432 CO 0.81 0.15 1.14 -2.14 -0.49 0.00 0.00 175.26 174.73 3ig1 s PRO 433 N -3.61 1.17 -0.27 0.39 0.02 -1.26 -4.81 135.00 126.62 3ig1 s PRO 433 Ca 0.32 1.52 -0.10 0.00 0.02 0.00 0.00 61.00 62.76 3ig1 s PRO 433 Cb 0.02 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.75 3ig1 s PRO 433 CO 0.16 -2.52 0.14 0.42 -0.33 0.00 0.00 177.00 174.87 3ig1 s ILE 434 N -2.66 4.86 0.23 2.83 1.01 -1.26 -5.07 121.20 121.13 3ig1 s ILE 434 Ca 0.66 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.98 3ig1 s ILE 434 Cb -0.22 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 3ig1 s ILE 434 CO 0.57 0.26 1.12 -0.69 0.00 0.00 0.00 174.94 176.20 3ig1 s VAL 435 N 1.69 3.62 0.00 2.92 1.01 -1.26 -3.06 120.40 125.32 3ig1 s VAL 435 Ca 0.06 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3ig1 s VAL 435 Cb -0.16 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3ig1 s VAL 435 CO 0.08 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3ig1 n GLY 436 N 1.65 0.91 3.93 4.51 0.00 -1.26 -5.03 105.19 109.89 3ig1 n GLY 436 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3ig1 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ig1 s ALA 437 N -3.56 3.79 0.34 4.61 0.00 -1.17 -5.07 121.76 120.71 3ig1 s ALA 437 Ca 0.00 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 3ig1 s ALA 437 Cb 0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 23.12 21.01 3ig1 s ALA 437 CO 0.00 0.28 1.03 -2.00 0.00 0.00 0.00 175.76 175.07 3ig1 s GLU 438 N -3.68 4.41 -0.30 0.00 2.12 -1.26 -4.81 118.70 115.17 3ig1 s GLU 438 Ca 0.39 1.54 -0.08 0.00 0.36 0.00 0.00 54.97 57.17 3ig1 s GLU 438 Cb -0.10 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.49 3ig1 s GLU 438 CO 0.31 0.08 0.12 0.99 -0.54 0.00 0.00 175.26 176.21 3ig1 s THR 439 N -1.50 4.26 -0.75 -1.70 2.01 -1.26 -2.17 115.64 114.52 3ig1 s THR 439 Ca 0.52 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.79 3ig1 s THR 439 Cb -0.24 -3.19 0.19 0.00 0.01 0.00 0.00 72.50 69.27 3ig1 s THR 439 CO 0.30 0.07 0.71 -0.36 -0.69 0.00 0.00 174.62 174.64 3ig1 s PHE 440 N 1.55 3.59 -0.04 4.92 0.40 -0.07 -3.31 117.98 125.02 3ig1 s PHE 440 Ca 0.03 -1.77 -0.30 0.00 -0.60 0.00 0.00 56.93 54.30 3ig1 s PHE 440 Cb -0.17 -3.83 -0.04 0.00 0.51 0.00 0.00 43.02 39.49 3ig1 s PHE 440 CO 0.04 -1.02 1.24 0.71 0.70 0.00 0.00 175.22 176.89 3ig1 s TYR 441 N 0.67 3.13 0.23 0.36 1.51 -0.77 -2.47 117.35 120.01 3ig1 s TYR 441 Ca 0.14 1.14 0.10 0.00 -1.01 0.00 0.00 57.07 57.45 3ig1 s TYR 441 Cb -0.16 -3.47 -0.05 0.00 -0.11 0.00 0.00 41.96 38.18 3ig1 s TYR 441 CO -0.05 -1.52 -0.18 0.14 -1.11 0.00 0.00 175.55 172.82 3ig1 s VAL 442 N 2.24 2.12 0.13 0.71 -7.23 -0.45 -1.61 120.40 116.32 3ig1 s VAL 442 Ca 0.57 -2.22 -0.25 0.00 -1.81 0.00 0.00 61.98 58.27 3ig1 s VAL 442 Cb -0.26 -2.12 0.07 0.00 0.56 0.00 0.00 36.38 34.63 3ig1 s VAL 442 CO 0.23 -0.42 0.90 -0.62 -0.31 0.00 0.00 175.10 174.89 3ig1 s ASP 443 N -3.21 -0.24 0.29 4.85 3.68 -1.00 -4.42 116.67 116.62 3ig1 s ASP 443 Ca 0.24 -0.32 -0.12 0.00 2.13 0.00 0.00 52.55 54.48 3ig1 s ASP 443 Cb -0.04 0.50 0.01 0.00 -1.45 0.00 0.00 42.92 41.93 3ig1 s ASP 443 CO 0.10 -0.89 0.56 -0.83 0.13 0.00 0.00 175.17 174.24 3ig1 s GLY 444 N -2.84 0.63 -0.04 2.66 0.00 -1.26 -1.65 107.32 104.82 3ig1 s GLY 444 Ca 0.10 -0.92 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 3ig1 s GLY 444 CO -0.00 -0.59 0.87 0.00 0.00 0.00 0.00 173.10 173.37 3ig1 s ALA 445 N -3.54 -1.83 0.07 3.20 0.00 -0.91 -4.90 121.76 113.86 3ig1 s ALA 445 Ca 0.22 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 3ig1 s ALA 445 Cb -0.02 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3ig1 s ALA 445 CO 0.12 -0.56 0.37 0.00 0.00 0.00 0.00 175.76 175.69 3ig1 s ALA 446 N -2.43 -0.86 -0.51 0.00 0.00 -1.26 -1.37 121.76 115.33 3ig1 s ALA 446 Ca 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 3ig1 s ALA 446 Cb -0.01 0.46 0.13 0.00 0.00 0.00 0.00 23.12 23.71 3ig1 s ALA 446 CO -0.04 -0.51 0.35 1.21 0.00 0.00 0.00 175.76 176.76 3ig1 s ASN 447 N -2.34 5.53 0.54 0.00 3.84 -0.33 -4.82 114.94 117.36 3ig1 s ASN 447 Ca -0.02 -2.21 0.46 0.00 0.21 0.00 0.00 52.86 51.30 3ig1 s ASN 447 Cb 0.01 -1.93 1.68 0.00 -0.55 0.00 0.00 41.25 40.45 3ig1 s ASN 447 CO -0.06 -0.57 1.61 0.03 -2.79 0.00 0.00 177.10 175.31 3ig1 h ARG 448 N 7.97 0.01 0.13 0.43 3.08 -1.91 1.93 114.38 126.02 3ig1 h ARG 448 Ca -0.12 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3ig1 h ARG 448 Cb 1.04 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3ig1 h ARG 448 CO 0.77 0.00 -0.06 0.93 -1.07 0.00 0.00 179.97 180.54 3ig1 h GLU 449 N 0.01 -0.17 0.00 0.04 3.07 -1.97 -3.33 114.58 112.22 3ig1 h GLU 449 Ca 0.88 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.76 3ig1 h GLU 449 Cb 3.45 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 31.40 3ig1 h GLU 449 CO -0.07 0.24 -1.26 0.25 -1.40 0.00 0.00 179.01 176.78 3ig1 n THR 450 N -4.96 0.07 -1.23 1.13 -2.24 -0.02 -4.97 114.28 102.07 3ig1 n THR 450 Ca -0.09 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 3ig1 n THR 450 Cb 0.26 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 3ig1 n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ig1 n LYS 451 N -1.89 -1.22 -3.42 -0.78 4.01 0.64 -4.56 118.16 110.95 3ig1 n LYS 451 Ca 0.01 0.72 -0.38 0.00 -0.51 0.00 0.00 58.31 58.15 3ig1 n LYS 451 Cb 0.44 -4.83 -0.06 0.00 -0.51 0.00 0.00 35.03 30.07 3ig1 n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3ig1 s LEU 452 N -1.84 4.32 0.32 -0.35 1.43 -1.25 -0.83 118.68 120.48 3ig1 s LEU 452 Ca 0.00 0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 53.82 3ig1 s LEU 452 Cb 0.00 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.64 3ig1 s LEU 452 CO 0.00 0.11 0.51 -0.83 0.23 0.00 0.00 176.35 176.37 3ig1 s GLY 453 N 0.11 1.10 0.21 -3.19 0.00 0.01 -1.19 107.32 104.37 3ig1 s GLY 453 Ca 0.23 -1.26 0.05 0.00 0.00 0.00 0.00 44.72 43.74 3ig1 s GLY 453 CO 0.10 -0.83 -0.07 0.54 0.00 0.00 0.00 173.10 172.84 3ig1 s LYS 454 N -3.23 1.30 -0.06 2.90 1.02 -0.47 0.15 119.74 121.34 3ig1 s LYS 454 Ca 0.27 -1.61 -0.03 0.00 0.02 0.00 0.00 55.97 54.62 3ig1 s LYS 454 Cb -0.01 -0.83 0.04 0.00 -0.52 0.00 0.00 37.83 36.51 3ig1 s LYS 454 CO 0.16 0.04 0.12 0.00 -0.92 0.00 0.00 175.35 174.75 3ig1 s ALA 455 N -3.22 -0.00 0.12 5.17 0.00 -0.76 -2.15 121.76 120.91 3ig1 s ALA 455 Ca 0.24 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.63 3ig1 s ALA 455 Cb 0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3ig1 s ALA 455 CO 0.07 -0.50 0.11 0.41 0.00 0.00 0.00 175.76 175.84 3ig1 n GLY 456 N 5.24 3.46 3.55 0.00 0.00 -0.66 -1.66 105.19 115.11 3ig1 n GLY 456 Ca -0.06 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 3ig1 n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ig1 s TYR 457 N -2.86 -0.46 0.09 1.61 -0.85 -0.41 -2.38 117.35 112.08 3ig1 s TYR 457 Ca 0.13 0.73 0.04 0.00 -0.52 0.00 0.00 57.07 57.45 3ig1 s TYR 457 Cb 0.00 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.76 3ig1 s TYR 457 CO 0.09 -0.46 -0.10 0.14 -1.52 0.00 0.00 175.55 173.71 3ig1 s VAL 458 N -1.40 0.90 0.13 -3.49 -7.23 -0.63 -1.77 120.40 106.91 3ig1 s VAL 458 Ca -0.04 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 3ig1 s VAL 458 Cb -0.00 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 3ig1 s VAL 458 CO 0.03 -0.54 -0.02 0.42 -0.31 0.00 0.00 175.10 174.68 3ig1 s THR 459 N -2.32 0.59 0.38 5.32 -4.23 -0.71 -1.86 115.64 112.81 3ig1 s THR 459 Ca 0.04 -1.95 0.38 0.00 -1.18 0.00 0.00 61.69 58.98 3ig1 s THR 459 Cb -0.04 -1.91 0.38 0.00 1.34 0.00 0.00 72.50 72.27 3ig1 s THR 459 CO -0.00 -0.65 2.15 -0.55 -0.54 0.00 0.00 174.62 175.03 3ig1 h ASN 460 N 2.84 0.00 -0.45 3.99 -1.07 -1.88 -1.09 115.58 117.92 3ig1 h ASN 460 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.01 3ig1 h ASN 460 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 3ig1 h ASN 460 CO 0.63 0.00 0.00 0.29 0.07 0.00 0.00 177.43 178.42 3ig1 n LYS 461 N -2.84 2.24 0.00 4.14 5.02 -1.26 -4.91 118.16 120.55 3ig1 n LYS 461 Ca -0.02 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 3ig1 n LYS 461 Cb 0.08 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3ig1 n LYS 461 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ig1 n GLY 462 N 1.12 2.74 3.50 0.72 0.00 -0.41 -5.02 105.19 107.83 3ig1 n GLY 462 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3ig1 n GLY 462 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ig1 n ARG 463 N -0.04 0.69 -3.47 1.61 0.63 -1.26 -4.68 116.66 110.14 3ig1 n ARG 463 Ca 0.00 0.26 -0.15 0.00 -0.92 0.00 0.00 57.85 57.04 3ig1 n ARG 463 Cb 0.00 -1.73 -0.04 0.00 0.45 0.00 0.00 32.46 31.14 3ig1 n ARG 463 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3ig1 s GLN 464 N -1.97 1.17 -0.29 -0.14 -0.21 -1.26 -1.73 119.66 115.23 3ig1 s GLN 464 Ca 0.67 -0.14 -0.17 0.00 0.02 0.00 0.00 55.36 55.74 3ig1 s GLN 464 Cb -0.51 0.54 0.14 0.00 1.00 0.00 0.00 33.01 34.18 3ig1 s GLN 464 CO 0.55 -0.45 0.95 0.21 -2.12 0.00 0.00 175.29 174.43 3ig1 s LYS 465 N -2.59 0.43 0.12 2.91 2.20 -0.73 -5.00 119.74 117.08 3ig1 s LYS 465 Ca -0.04 0.72 0.10 0.00 -0.36 0.00 0.00 55.97 56.38 3ig1 s LYS 465 Cb -0.01 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 3ig1 s LYS 465 CO -0.03 -0.09 -0.23 0.08 -0.36 0.00 0.00 175.35 174.72 3ig1 s VAL 466 N 1.26 1.98 -0.05 4.02 1.01 -1.26 -1.29 120.40 126.06 3ig1 s VAL 466 Ca -0.08 -1.69 -0.02 0.00 0.00 0.00 0.00 61.98 60.19 3ig1 s VAL 466 Cb -0.04 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.59 3ig1 s VAL 466 CO -0.15 -0.02 0.10 -0.69 0.00 0.00 0.00 175.10 174.35 3ig1 s VAL 467 N -1.22 -0.10 0.43 2.92 1.01 -0.66 -4.95 120.40 117.83 3ig1 s VAL 467 Ca 0.11 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.12 3ig1 s VAL 467 Cb -0.10 -0.19 -0.08 0.00 0.00 0.00 0.00 36.38 36.01 3ig1 s VAL 467 CO 0.05 0.11 1.08 -2.16 0.00 0.00 0.00 175.10 174.18 3ig1 s PRO 468 N 1.49 4.00 0.03 2.72 0.04 -1.26 -1.84 135.00 140.18 3ig1 s PRO 468 Ca -0.05 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3ig1 s PRO 468 Cb -0.12 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 3ig1 s PRO 468 CO -0.05 -0.30 -0.04 -0.51 0.04 0.00 0.00 177.00 176.15 3ig1 s LEU 469 N -2.87 2.30 0.19 -3.56 1.43 0.39 -4.94 118.68 111.62 3ig1 s LEU 469 Ca 0.61 -0.62 0.10 0.00 -1.03 0.00 0.00 54.13 53.19 3ig1 s LEU 469 Cb -0.23 0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 3ig1 s LEU 469 CO 0.28 -0.35 -0.22 0.42 0.23 0.00 0.00 176.35 176.71 3ig1 s THR 470 N -1.99 2.17 -1.21 5.49 -4.23 -1.26 -0.81 115.64 113.79 3ig1 s THR 470 Ca -0.10 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.21 3ig1 s THR 470 Cb -0.06 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3ig1 s THR 470 CO -0.03 -0.20 0.68 -3.20 -0.54 0.00 0.00 174.62 171.34 3ig1 n ASN 471 N 0.24 -3.97 -3.99 3.99 5.15 -0.44 -4.95 115.26 111.29 3ig1 n ASN 471 Ca -0.12 -1.07 -0.22 0.00 -0.60 0.00 0.00 54.58 52.56 3ig1 n ASN 471 Cb 0.56 -2.98 -0.09 0.00 -0.53 0.00 0.00 39.78 36.75 3ig1 n ASN 471 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3ig1 s THR 472 N -3.59 0.47 0.32 -0.44 -1.32 -0.01 -5.05 115.64 106.01 3ig1 s THR 472 Ca 0.37 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.89 3ig1 s THR 472 Cb -0.15 -2.45 -0.05 0.00 -1.51 0.00 0.00 72.50 68.34 3ig1 s THR 472 CO 0.89 0.00 0.08 0.42 -2.21 0.00 0.00 174.62 173.80 3ig1 s THR 473 N -3.37 0.93 0.07 5.08 -4.23 -1.26 -4.67 115.64 108.19 3ig1 s THR 473 Ca 0.31 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.52 3ig1 s THR 473 Cb 0.04 -2.69 -0.18 0.00 1.34 0.00 0.00 72.50 71.01 3ig1 s THR 473 CO 0.17 0.00 1.61 0.78 -0.54 0.00 0.00 174.62 176.64 3ig1 h ASN 474 N 2.14 -0.55 -0.87 3.99 2.35 -1.90 0.03 115.58 120.77 3ig1 h ASN 474 Ca -0.39 -0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.51 3ig1 h ASN 474 Cb 1.25 0.14 -0.07 0.00 0.05 0.00 0.00 38.32 39.69 3ig1 h ASN 474 CO 0.65 -0.36 0.57 1.56 -1.65 0.00 0.00 177.43 178.19 3ig1 h GLN 475 N -0.69 0.59 -0.50 0.81 4.20 -1.99 -0.90 115.11 116.63 3ig1 h GLN 475 Ca -0.07 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 3ig1 h GLN 475 Cb 0.52 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3ig1 h GLN 475 CO 0.11 0.39 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.37 3ig1 h LYS 476 N 0.61 0.93 0.00 1.46 3.64 -1.83 -3.24 116.57 118.14 3ig1 h LYS 476 Ca 0.44 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3ig1 h LYS 476 Cb 0.80 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3ig1 h LYS 476 CO -0.19 0.99 -0.05 1.79 -2.27 0.00 0.00 179.45 179.72 3ig1 h THR 477 N 0.79 0.14 0.01 1.00 1.35 0.45 -1.52 112.91 115.13 3ig1 h THR 477 Ca 0.13 -0.64 -0.25 0.00 -0.55 0.00 0.00 66.41 65.10 3ig1 h THR 477 Cb 0.61 1.56 -0.04 0.00 -1.73 0.00 0.00 68.15 68.56 3ig1 h THR 477 CO 0.04 0.05 -1.37 -0.33 -0.25 0.00 0.00 175.52 173.67 3ig1 h GLU 478 N 0.00 0.02 -0.12 4.72 4.39 -1.55 -0.60 114.58 121.45 3ig1 h GLU 478 Ca -0.00 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.44 3ig1 h GLU 478 Cb 0.56 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3ig1 h GLU 478 CO 0.01 0.78 -0.82 -0.07 -1.16 0.00 0.00 179.01 177.74 3ig1 h LEU 479 N 0.01 0.90 -1.03 1.33 3.38 -1.57 -2.45 115.31 115.87 3ig1 h LEU 479 Ca -0.15 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.16 3ig1 h LEU 479 Cb 1.90 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 3ig1 h LEU 479 CO 0.11 1.41 0.20 1.56 0.09 0.00 0.00 178.44 181.81 3ig1 h GLN 480 N 0.50 0.89 -0.54 1.13 4.20 -1.25 -0.39 115.11 119.65 3ig1 h GLN 480 Ca -0.06 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.37 3ig1 h GLN 480 Cb 1.45 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 3ig1 h GLN 480 CO 0.17 0.76 -0.09 0.00 -0.67 0.00 0.00 178.83 179.00 3ig1 h ALA 481 N 1.35 0.74 -0.18 3.87 0.00 -1.05 -1.91 119.26 122.08 3ig1 h ALA 481 Ca 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ig1 h ALA 481 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ig1 h ALA 481 CO -0.01 0.64 0.08 0.82 0.00 0.00 0.00 179.25 180.78 3ig1 h ILE 482 N 0.90 1.15 -0.61 0.00 2.04 -0.93 -1.74 117.51 118.32 3ig1 h ILE 482 Ca 0.14 -0.44 0.12 0.00 1.00 0.00 0.00 64.86 65.68 3ig1 h ILE 482 Cb 0.65 1.11 -0.09 0.00 -0.74 0.00 0.00 36.82 37.75 3ig1 h ILE 482 CO 0.05 0.14 0.12 0.22 0.00 0.00 0.00 178.15 178.68 3ig1 h TYR 483 N 0.15 0.19 -0.84 1.37 3.20 -0.92 0.85 116.97 120.96 3ig1 h TYR 483 Ca 0.06 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.98 3ig1 h TYR 483 Cb 0.15 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3ig1 h TYR 483 CO -0.02 -0.05 0.56 -0.07 -1.64 0.00 0.00 178.16 176.94 3ig1 h LEU 484 N 0.25 0.97 -0.80 2.82 3.38 -1.04 -0.88 115.31 120.01 3ig1 h LEU 484 Ca 0.32 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 3ig1 h LEU 484 Cb 0.49 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3ig1 h LEU 484 CO -0.42 0.70 0.34 0.00 0.09 0.00 0.00 178.44 179.16 3ig1 h ALA 485 N 1.31 1.04 -0.50 1.53 0.00 -0.06 -1.95 119.26 120.62 3ig1 h ALA 485 Ca 0.31 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3ig1 h ALA 485 Cb -0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 3ig1 h ALA 485 CO -0.07 0.64 -0.20 -0.07 0.00 0.00 0.00 179.25 179.55 3ig1 h LEU 486 N 1.15 1.04 0.60 0.00 3.38 -0.52 -3.15 115.31 117.81 3ig1 h LEU 486 Ca 0.27 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3ig1 h LEU 486 Cb 0.18 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3ig1 h LEU 486 CO -0.03 1.20 -0.33 -0.61 0.09 0.00 0.00 178.44 178.76 3ig1 h GLN 487 N 0.88 -0.84 -0.66 1.13 4.15 -0.82 -3.21 115.11 115.74 3ig1 h GLN 487 Ca 0.12 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3ig1 h GLN 487 Cb 0.79 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3ig1 h GLN 487 CO 0.07 -0.56 0.00 -0.25 -1.93 0.00 0.00 178.83 176.16 3ig1 n ASP 488 N -5.48 1.68 -4.60 -0.69 8.00 -0.76 -4.90 116.55 109.80 3ig1 n ASP 488 Ca -0.13 -2.14 -0.26 0.00 0.71 0.00 0.00 54.79 52.98 3ig1 n ASP 488 Cb 0.37 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 3ig1 n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ig1 s SER 489 N -0.44 4.37 0.00 -2.24 1.04 -1.19 -5.07 113.70 110.17 3ig1 s SER 489 Ca 0.12 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3ig1 s SER 489 Cb 0.08 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.42 3ig1 s SER 489 CO 0.05 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.96 3ig1 n GLY 490 N -0.20 -2.69 0.26 7.32 0.00 -1.26 -4.92 105.19 103.70 3ig1 n GLY 490 Ca -0.09 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 3ig1 n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ig1 h LEU 491 N 0.00 0.78 -9.20 0.99 3.38 -1.94 -3.43 115.31 105.88 3ig1 h LEU 491 Ca 0.00 -0.30 -0.68 0.00 0.09 0.00 0.00 57.88 56.99 3ig1 h LEU 491 Cb 0.00 -0.21 -0.17 0.00 0.09 0.00 0.00 40.66 40.37 3ig1 h LEU 491 CO 0.00 1.01 -0.68 -1.61 0.09 0.00 0.00 178.44 177.25 3ig1 s GLU 492 N -4.51 2.72 -0.28 1.13 2.02 -1.26 -1.63 118.70 116.90 3ig1 s GLU 492 Ca -0.09 -0.59 -0.21 0.00 0.02 0.00 0.00 54.97 54.10 3ig1 s GLU 492 Cb 0.13 -2.60 0.08 0.00 0.10 0.00 0.00 34.13 31.83 3ig1 s GLU 492 CO 0.84 0.64 0.72 0.54 0.02 0.00 0.00 175.26 178.02 3ig1 s VAL 493 N -0.92 0.00 -0.07 2.63 0.11 -0.53 -4.41 120.40 117.22 3ig1 s VAL 493 Ca 0.15 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.07 3ig1 s VAL 493 Cb -0.11 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 3ig1 s VAL 493 CO 0.05 0.00 0.35 0.20 -3.33 0.00 0.00 175.10 172.37 3ig1 s ASN 494 N 0.96 6.65 -0.29 3.54 0.01 -0.92 -1.39 114.94 123.48 3ig1 s ASN 494 Ca -0.05 0.77 -0.02 0.00 -0.71 0.00 0.00 52.86 52.85 3ig1 s ASN 494 Cb -0.05 -2.21 0.10 0.00 0.41 0.00 0.00 41.25 39.50 3ig1 s ASN 494 CO -0.09 0.25 0.11 -0.63 -1.51 0.00 0.00 177.10 175.24 3ig1 s ILE 495 N -0.55 0.41 0.05 0.60 1.01 0.92 -0.89 121.20 122.76 3ig1 s ILE 495 Ca 0.21 -1.05 -0.27 0.00 0.00 0.00 0.00 60.65 59.53 3ig1 s ILE 495 Cb -0.15 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 3ig1 s ILE 495 CO 0.09 -0.68 0.87 -0.69 0.00 0.00 0.00 174.94 174.53 3ig1 s VAL 496 N 1.86 4.70 0.36 2.92 1.01 -1.03 -1.80 120.40 128.41 3ig1 s VAL 496 Ca 0.09 1.85 0.05 0.00 0.00 0.00 0.00 61.98 63.96 3ig1 s VAL 496 Cb -0.17 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3ig1 s VAL 496 CO -0.30 0.30 0.18 0.28 0.00 0.00 0.00 175.10 175.57 3ig1 s THR 497 N 0.21 0.35 -0.01 3.92 -1.32 -1.20 -1.34 115.64 116.26 3ig1 s THR 497 Ca 0.44 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.93 3ig1 s THR 497 Cb -0.21 -2.42 0.02 0.00 -1.51 0.00 0.00 72.50 68.37 3ig1 s THR 497 CO 0.26 0.00 0.73 -0.90 -2.21 0.00 0.00 174.62 172.49 3ig1 n ASP 498 N -1.30 0.43 -4.55 8.08 5.68 -1.26 -1.24 116.55 122.38 3ig1 n ASP 498 Ca -0.00 -1.50 -0.40 0.00 -0.50 0.00 0.00 54.79 52.38 3ig1 n ASP 498 Cb 0.64 -0.07 -0.09 0.00 -1.14 0.00 0.00 41.12 40.46 3ig1 n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3ig1 s SER 499 N -0.55 6.19 0.22 -1.12 0.15 -1.26 -4.68 113.70 112.66 3ig1 s SER 499 Ca 0.02 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.59 3ig1 s SER 499 Cb 0.02 -2.20 0.19 0.00 -1.71 0.00 0.00 66.02 62.32 3ig1 s SER 499 CO 0.00 -0.32 1.51 1.56 1.20 0.00 0.00 173.24 177.19 3ig1 h GLN 500 N 8.42 0.13 -0.37 5.44 4.20 -1.95 -2.63 115.11 128.35 3ig1 h GLN 500 Ca -0.30 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.25 3ig1 h GLN 500 Cb 1.15 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 3ig1 h GLN 500 CO 0.69 0.78 0.03 -0.92 -0.67 0.00 0.00 178.83 178.74 3ig1 h TYR 501 N 0.09 0.67 -0.34 2.96 3.20 -1.99 -0.56 116.97 120.99 3ig1 h TYR 501 Ca -0.02 -0.10 -0.12 0.00 3.14 0.00 0.00 58.73 61.63 3ig1 h TYR 501 Cb 1.25 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 3ig1 h TYR 501 CO 0.01 0.70 -0.28 0.00 -1.64 0.00 0.00 178.16 176.95 3ig1 h ALA 502 N 0.89 0.86 -0.49 1.82 0.00 -1.91 -2.67 119.26 117.76 3ig1 h ALA 502 Ca 0.11 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3ig1 h ALA 502 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ig1 h ALA 502 CO 0.01 0.63 -0.08 1.25 0.00 0.00 0.00 179.25 181.07 3ig1 h LEU 503 N 0.61 0.87 0.11 0.00 5.85 -1.33 -2.29 115.31 119.13 3ig1 h LEU 503 Ca 0.08 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3ig1 h LEU 503 Cb 0.79 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3ig1 h LEU 503 CO 0.06 0.98 -0.07 1.23 -0.34 0.00 0.00 178.44 180.30 3ig1 h GLY 504 N 0.98 -0.18 0.91 3.75 0.00 -0.83 0.20 103.07 107.89 3ig1 h GLY 504 Ca 0.14 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.57 3ig1 h GLY 504 CO 0.04 -0.08 0.35 -2.22 0.00 0.00 0.00 176.54 174.63 3ig1 h ILE 505 N -0.19 1.08 0.01 2.60 1.08 -1.36 -2.82 117.51 117.92 3ig1 h ILE 505 Ca -0.01 -0.24 -0.21 0.00 -0.39 0.00 0.00 64.86 64.01 3ig1 h ILE 505 Cb 0.16 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 3ig1 h ILE 505 CO 0.01 0.13 -0.92 0.40 -0.69 0.00 0.00 178.15 177.08 3ig1 h ILE 506 N 0.70 1.47 0.00 -0.67 2.04 -1.31 -3.01 117.51 116.73 3ig1 h ILE 506 Ca 0.22 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.48 3ig1 h ILE 506 Cb -0.01 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3ig1 h ILE 506 CO -0.08 0.76 0.00 0.00 0.00 0.00 0.00 178.15 178.83 3ig1 n GLN 507 N -3.67 0.67 0.00 2.37 6.02 0.69 -0.63 117.38 122.82 3ig1 n GLN 507 Ca -0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.05 3ig1 n GLN 507 Cb 0.83 -1.38 -0.08 0.00 1.02 0.00 0.00 30.24 30.63 3ig1 n GLN 507 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ig1 n ALA 508 N -0.88 4.32 -3.51 -1.58 0.00 -1.08 -4.83 120.51 112.96 3ig1 n ALA 508 Ca 0.12 -0.55 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 3ig1 n ALA 508 Cb 0.06 -0.81 0.08 0.00 0.00 0.00 0.00 19.45 18.77 3ig1 n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ig1 n GLN 509 N -1.63 -7.33 -1.46 0.00 6.02 0.19 -4.97 117.38 108.21 3ig1 n GLN 509 Ca 0.03 0.82 -0.32 0.00 -0.01 0.00 0.00 57.00 57.52 3ig1 n GLN 509 Cb 0.37 -5.81 0.08 0.00 1.02 0.00 0.00 30.24 25.90 3ig1 n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3ig1 s PRO 510 N -5.93 2.42 0.00 -1.09 0.04 -1.26 -4.76 135.00 124.41 3ig1 s PRO 510 Ca 0.36 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.73 3ig1 s PRO 510 Cb -0.16 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3ig1 s PRO 510 CO 0.71 -1.54 0.17 -0.40 0.04 0.00 0.00 177.00 175.99 3ig1 n ASP 511 N -3.03 0.22 -3.73 6.66 5.68 0.20 -4.95 116.55 117.61 3ig1 n ASP 511 Ca 0.10 -1.03 -0.12 0.00 -0.50 0.00 0.00 54.79 53.24 3ig1 n ASP 511 Cb 0.52 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.39 3ig1 n ASP 511 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3ig1 s LYS 512 N -0.03 0.31 0.16 0.11 1.02 -0.91 -5.00 119.74 115.41 3ig1 s LYS 512 Ca 0.00 0.58 0.10 0.00 0.02 0.00 0.00 55.97 56.67 3ig1 s LYS 512 Cb 0.00 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 3ig1 s LYS 512 CO 0.00 -0.13 -0.16 0.45 -0.92 0.00 0.00 175.35 174.59 3ig1 s SER 513 N 0.98 3.89 -0.15 2.83 0.15 -1.26 -2.25 113.70 117.90 3ig1 s SER 513 Ca -0.07 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 55.97 3ig1 s SER 513 Cb -0.07 -0.53 0.32 0.00 -1.71 0.00 0.00 66.02 64.03 3ig1 s SER 513 CO -0.07 0.13 1.21 -0.62 1.20 0.00 0.00 173.24 175.09 3ig1 n GLU 514 N 0.35 2.14 -4.01 5.44 4.71 -0.83 -4.65 120.64 123.78 3ig1 n GLU 514 Ca -0.13 -1.32 -0.30 0.00 -0.01 0.00 0.00 57.16 55.40 3ig1 n GLU 514 Cb 0.55 -1.68 -0.16 0.00 -1.01 0.00 0.00 31.44 29.14 3ig1 n GLU 514 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3ig1 s SER 515 N -0.17 2.91 0.23 1.62 0.15 -1.26 -5.04 113.70 112.14 3ig1 s SER 515 Ca 0.24 -0.62 -0.07 0.00 0.70 0.00 0.00 55.95 56.20 3ig1 s SER 515 Cb 0.19 -1.20 0.39 0.00 -1.71 0.00 0.00 66.02 63.70 3ig1 s SER 515 CO 0.06 -0.08 1.69 -0.08 1.20 0.00 0.00 173.24 176.02 3ig1 h GLU 516 N 8.03 0.25 0.08 5.44 4.81 -2.00 -2.55 114.58 128.63 3ig1 h GLU 516 Ca -0.35 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3ig1 h GLU 516 Cb 1.12 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3ig1 h GLU 516 CO 0.51 0.17 -0.07 1.25 -0.73 0.00 0.00 179.01 180.13 3ig1 h LEU 517 N 0.26 -0.20 -1.00 1.64 5.85 -1.96 -1.05 115.31 118.85 3ig1 h LEU 517 Ca 0.37 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.28 3ig1 h LEU 517 Cb 0.61 0.07 -0.17 0.00 0.37 0.00 0.00 40.66 41.53 3ig1 h LEU 517 CO -0.48 -0.10 -0.33 0.58 -0.34 0.00 0.00 178.44 177.78 3ig1 h VAL 518 N -0.15 0.00 -0.42 1.05 2.07 -1.94 0.59 116.25 117.45 3ig1 h VAL 518 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3ig1 h VAL 518 Cb 0.13 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.81 3ig1 h VAL 518 CO -0.01 0.00 -0.24 0.78 0.02 0.00 0.00 177.57 178.12 3ig1 h ASN 519 N -0.00 -0.82 -0.94 0.57 2.35 -1.25 0.55 115.58 116.04 3ig1 h ASN 519 Ca 0.41 0.17 0.16 0.00 -0.55 0.00 0.00 56.30 56.49 3ig1 h ASN 519 Cb 0.66 0.42 -0.10 0.00 0.05 0.00 0.00 38.32 39.35 3ig1 h ASN 519 CO -1.01 -0.26 0.55 1.56 -1.65 0.00 0.00 177.43 176.61 3ig1 h GLN 520 N -0.16 0.73 -0.07 0.81 4.20 0.15 0.15 115.11 120.91 3ig1 h GLN 520 Ca 0.20 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3ig1 h GLN 520 Cb 0.48 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3ig1 h GLN 520 CO -0.52 0.48 -0.02 0.82 -0.67 0.00 0.00 178.83 178.92 3ig1 h ILE 521 N 0.75 1.30 -0.44 2.54 2.04 0.10 -2.05 117.51 121.75 3ig1 h ILE 521 Ca 0.52 -0.95 0.08 0.00 1.00 0.00 0.00 64.86 65.51 3ig1 h ILE 521 Cb 0.73 1.79 -0.09 0.00 -0.74 0.00 0.00 36.82 38.51 3ig1 h ILE 521 CO -0.36 0.26 -0.40 0.40 0.00 0.00 0.00 178.15 178.06 3ig1 h ILE 522 N -0.21 0.14 -0.11 -0.67 2.04 0.21 0.10 117.51 119.02 3ig1 h ILE 522 Ca 0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3ig1 h ILE 522 Cb 0.42 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3ig1 h ILE 522 CO 0.01 0.00 -0.13 -0.08 0.00 0.00 0.00 178.15 177.95 3ig1 h GLU 523 N -0.29 -0.16 -0.95 2.37 4.22 -0.81 -0.94 114.58 118.02 3ig1 h GLU 523 Ca 0.16 0.01 0.21 0.00 0.08 0.00 0.00 59.36 59.82 3ig1 h GLU 523 Cb 0.57 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 3ig1 h GLU 523 CO -0.59 -0.11 0.62 1.96 -2.18 0.00 0.00 179.01 178.71 3ig1 h GLN 524 N -0.17 0.48 -0.22 1.92 1.08 -0.43 0.51 115.11 118.28 3ig1 h GLN 524 Ca 0.08 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 3ig1 h GLN 524 Cb 0.29 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3ig1 h GLN 524 CO -0.21 0.31 -0.15 -0.07 -0.95 0.00 0.00 178.83 177.77 3ig1 h LEU 525 N 0.49 0.51 -2.47 1.46 3.38 0.28 -2.91 115.31 116.05 3ig1 h LEU 525 Ca 0.52 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ig1 h LEU 525 Cb 1.17 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3ig1 h LEU 525 CO -0.24 0.84 0.13 0.40 0.09 0.00 0.00 178.44 179.66 3ig1 h ILE 526 N 0.18 0.25 0.00 1.22 2.04 0.35 -0.33 117.51 121.21 3ig1 h ILE 526 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3ig1 h ILE 526 Cb 0.67 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3ig1 h ILE 526 CO 0.04 0.00 -0.75 0.11 0.00 0.00 0.00 178.15 177.56 3ig1 h LYS 527 N 0.00 0.00 -7.05 2.37 1.57 -1.20 -3.47 116.57 108.79 3ig1 h LYS 527 Ca 0.03 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.34 3ig1 h LYS 527 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3ig1 h LYS 527 CO -0.00 0.00 0.29 0.15 -0.57 0.00 0.00 179.45 179.32 3ig1 s LYS 528 N -3.29 4.00 -0.18 3.15 -0.14 -0.14 -5.00 119.74 118.14 3ig1 s LYS 528 Ca 0.02 0.88 -0.15 0.00 -1.36 0.00 0.00 55.97 55.36 3ig1 s LYS 528 Cb 0.10 -2.22 -0.21 0.00 -1.68 0.00 0.00 37.83 33.81 3ig1 s LYS 528 CO 0.75 -0.12 0.23 0.39 -0.76 0.00 0.00 175.35 175.85 3ig1 n GLU 529 N -1.15 0.64 -4.18 1.68 -0.58 -0.64 -4.94 120.64 111.48 3ig1 n GLU 529 Ca 0.06 0.44 -0.18 0.00 -0.42 0.00 0.00 57.16 57.05 3ig1 n GLU 529 Cb 0.54 -1.72 -0.16 0.00 -0.57 0.00 0.00 31.44 29.53 3ig1 n GLU 529 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3ig1 s LYS 530 N -2.44 0.67 -0.21 3.49 1.02 -1.19 -4.97 119.74 116.11 3ig1 s LYS 530 Ca -0.27 -0.14 -0.04 0.00 0.02 0.00 0.00 55.97 55.54 3ig1 s LYS 530 Cb 0.07 -0.68 0.08 0.00 -0.52 0.00 0.00 37.83 36.78 3ig1 s LYS 530 CO 0.65 0.00 0.16 0.08 -0.92 0.00 0.00 175.35 175.32 3ig1 s VAL 531 N 0.50 -0.19 -0.41 3.17 1.01 -1.26 -1.45 120.40 121.77 3ig1 s VAL 531 Ca -0.06 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 3ig1 s VAL 531 Cb -0.10 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.61 3ig1 s VAL 531 CO -0.00 -0.34 0.30 -0.47 0.00 0.00 0.00 175.10 174.58 3ig1 s TYR 532 N 2.21 3.25 -0.61 5.22 5.04 -0.49 -1.94 117.35 130.03 3ig1 s TYR 532 Ca 0.05 -0.78 -0.14 0.00 -2.44 0.00 0.00 57.07 53.77 3ig1 s TYR 532 Cb -0.16 -2.68 0.15 0.00 0.35 0.00 0.00 41.96 39.63 3ig1 s TYR 532 CO -0.16 -0.65 0.55 -1.17 -1.34 0.00 0.00 175.55 172.77 3ig1 s LEU 533 N 1.63 6.24 0.00 6.97 2.96 -1.26 -0.06 118.68 135.16 3ig1 s LEU 533 Ca 0.04 -2.10 -0.11 0.00 -0.22 0.00 0.00 54.13 51.74 3ig1 s LEU 533 Cb -0.20 -2.17 0.17 0.00 0.50 0.00 0.00 46.19 44.49 3ig1 s LEU 533 CO 0.08 -0.74 1.03 0.00 -1.32 0.00 0.00 176.35 175.41 3ig1 n ALA 534 N 4.77 -1.03 -3.40 5.97 0.00 -0.75 -4.98 120.51 121.10 3ig1 n ALA 534 Ca -0.05 -1.43 -0.14 0.00 0.00 0.00 0.00 53.44 51.83 3ig1 n ALA 534 Cb 0.42 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 3ig1 n ALA 534 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ig1 s TRP 535 N -3.21 -0.55 0.06 0.00 -0.00 -1.26 -3.25 118.94 110.74 3ig1 s TRP 535 Ca 0.60 1.32 -0.00 0.00 -0.00 0.00 0.00 56.10 58.01 3ig1 s TRP 535 Cb -0.02 0.19 -0.04 0.00 -0.00 0.00 0.00 33.47 33.61 3ig1 s TRP 535 CO 0.42 -0.28 -0.04 0.14 -0.00 0.00 0.00 176.95 177.19 3ig1 s VAL 536 N 0.18 0.31 0.30 5.86 -7.23 -0.38 -4.92 120.40 114.52 3ig1 s VAL 536 Ca -0.01 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.10 3ig1 s VAL 536 Cb -0.03 -1.49 -0.09 0.00 0.56 0.00 0.00 36.38 35.32 3ig1 s VAL 536 CO 0.01 -0.95 0.98 -2.84 -0.31 0.00 0.00 175.10 172.00 3ig1 s PRO 537 N -3.78 4.63 0.50 4.82 0.02 -1.26 -4.32 135.00 135.61 3ig1 s PRO 537 Ca 0.07 1.49 -0.19 0.00 0.02 0.00 0.00 61.00 62.39 3ig1 s PRO 537 Cb 0.07 -2.99 -0.08 0.00 0.02 0.00 0.00 34.50 31.52 3ig1 s PRO 537 CO -0.09 0.29 1.03 0.00 -0.33 0.00 0.00 177.00 177.91 3ig1 s ALA 538 N -1.40 2.87 -1.21 -1.55 0.00 -1.26 -4.20 121.76 115.01 3ig1 s ALA 538 Ca 0.47 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.77 3ig1 s ALA 538 Cb -0.24 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3ig1 s ALA 538 CO 0.30 -0.35 0.68 0.72 0.00 0.00 0.00 175.76 177.11 3ig1 n HIS 539 N -1.14 -1.72 -0.81 0.00 8.25 -1.26 -4.89 115.22 113.66 3ig1 n HIS 539 Ca 0.09 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 3ig1 n HIS 539 Cb 0.53 -3.32 0.00 0.00 1.12 0.00 0.00 29.99 28.32 3ig1 n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ig1 n LYS 540 N -4.44 0.72 -1.59 -0.41 4.76 -1.26 -5.04 118.16 110.90 3ig1 n LYS 540 Ca -0.14 -0.78 -0.04 0.00 -2.87 0.00 0.00 58.31 54.47 3ig1 n LYS 540 Cb 0.60 -0.63 -0.01 0.00 -1.84 0.00 0.00 35.03 33.15 3ig1 n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ig1 n GLY 541 N -0.14 0.46 3.72 0.72 0.00 -1.26 -5.02 105.19 103.68 3ig1 n GLY 541 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3ig1 n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig1 s ILE 542 N -2.19 4.63 0.82 -0.61 1.01 -1.26 -4.93 121.20 118.66 3ig1 s ILE 542 Ca 0.00 2.05 -0.13 0.00 0.00 0.00 0.00 60.65 62.57 3ig1 s ILE 542 Cb 0.00 -4.31 0.09 0.00 0.01 0.00 0.00 42.46 38.24 3ig1 s ILE 542 CO 0.00 0.27 1.20 0.61 0.00 0.00 0.00 174.94 177.01 3ig1 n GLY 543 N 2.47 -0.04 3.46 6.18 0.00 -1.26 -1.71 105.19 114.28 3ig1 n GLY 543 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3ig1 n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ig1 n GLY 544 N 0.53 0.06 0.06 -0.02 0.00 -1.26 -4.35 105.19 100.22 3ig1 n GLY 544 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3ig1 n GLY 544 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ig1 n ASN 545 N -0.42 2.81 -0.04 1.61 2.85 -0.87 -4.32 115.26 116.87 3ig1 n ASN 545 Ca 0.00 -0.06 -0.14 0.00 -0.11 0.00 0.00 54.58 54.27 3ig1 n ASN 545 Cb 0.21 0.02 -0.08 0.00 1.24 0.00 0.00 39.78 41.17 3ig1 n ASN 545 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3ig1 h GLU 546 N 0.00 0.34 0.02 1.20 4.39 -1.53 -1.77 114.58 117.24 3ig1 h GLU 546 Ca -0.30 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.19 3ig1 h GLU 546 Cb 1.52 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 30.14 3ig1 h GLU 546 CO -0.03 0.82 -0.51 1.96 -1.16 0.00 0.00 179.01 180.10 3ig1 h GLN 547 N -0.09 -0.63 0.00 2.33 1.08 -1.83 0.02 115.11 115.99 3ig1 h GLN 547 Ca 0.00 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3ig1 h GLN 547 Cb 0.82 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 3ig1 h GLN 547 CO 0.05 -0.42 -0.07 -0.24 -0.95 0.00 0.00 178.83 177.20 3ig1 h VAL 548 N -0.65 0.40 -0.19 -0.54 3.04 -1.75 -1.66 116.25 114.90 3ig1 h VAL 548 Ca 0.01 -0.36 -0.18 0.00 -1.01 0.00 0.00 66.70 65.16 3ig1 h VAL 548 Cb 0.69 1.25 0.01 0.00 -2.01 0.00 0.00 31.29 31.23 3ig1 h VAL 548 CO -0.33 0.07 -0.59 -0.78 -1.01 0.00 0.00 177.57 174.93 3ig1 h ASP 549 N 0.00 0.86 -0.41 3.17 3.58 -0.35 -2.42 116.42 120.84 3ig1 h ASP 549 Ca -0.00 -0.59 -0.05 0.00 0.42 0.00 0.00 57.03 56.81 3ig1 h ASP 549 Cb 0.25 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3ig1 h ASP 549 CO 0.01 1.30 0.08 0.50 -2.88 0.00 0.00 179.24 178.24 3ig1 h LYS 550 N 0.46 0.75 -0.03 0.28 1.63 -0.25 0.10 116.57 119.51 3ig1 h LYS 550 Ca -0.02 -0.16 -0.12 0.00 -0.85 0.00 0.00 60.65 59.50 3ig1 h LYS 550 Cb 1.22 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 3ig1 h LYS 550 CO 0.13 0.71 -0.54 -0.07 -3.45 0.00 0.00 179.45 176.22 3ig1 h LEU 551 N 0.72 0.09 0.00 5.20 3.38 -1.19 -3.28 115.31 120.23 3ig1 h LEU 551 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ig1 h LEU 551 Cb 0.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ig1 h LEU 551 CO 0.00 0.62 -1.77 1.33 0.09 0.00 0.00 178.44 178.71 3ig1 n VAL 552 N -3.90 0.00 0.04 1.22 0.24 -0.92 -4.52 118.33 110.49 3ig1 n VAL 552 Ca -0.02 -0.39 -0.17 0.00 -2.04 0.00 0.00 64.34 61.72 3ig1 n VAL 552 Cb 0.56 0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 33.06 3ig1 n VAL 552 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3ig1 h SER 553 N 0.00 0.75 0.00 -1.34 0.02 -0.87 -3.42 113.55 108.70 3ig1 h SER 553 Ca 0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3ig1 h SER 553 Cb 0.87 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3ig1 h SER 553 CO 0.00 1.38 0.00 0.00 -1.14 0.00 0.00 176.83 177.07