#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3is9 s ILE 2 N 0.00 4.46 -0.29 4.25 1.10 -1.26 -5.02 121.20 124.43 3is9 s ILE 2 Ca 0.00 -0.50 -0.02 0.00 -0.51 0.00 0.00 60.65 59.62 3is9 s ILE 2 Cb 0.00 -3.29 0.19 0.00 0.15 0.00 0.00 42.46 39.51 3is9 s ILE 2 CO 0.00 0.05 0.77 -0.55 -2.11 0.00 0.00 174.94 173.10 3is9 s SER 3 N 1.58 -1.14 -0.31 4.50 0.15 -1.24 -4.58 113.70 112.67 3is9 s SER 3 Ca 0.04 0.24 -0.41 0.00 0.70 0.00 0.00 55.95 56.53 3is9 s SER 3 Cb -0.17 1.77 -0.16 0.00 -1.71 0.00 0.00 66.02 65.75 3is9 s SER 3 CO 0.05 -0.21 1.76 -2.65 1.20 0.00 0.00 173.24 173.39 3is9 n PRO 4 N 5.33 1.03 0.00 5.44 -0.02 -1.26 -4.79 135.00 140.74 3is9 n PRO 4 Ca 0.05 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3is9 n PRO 4 Cb 0.55 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3is9 n PRO 4 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3is9 n ILE 5 N 4.69 0.89 -4.50 4.25 3.06 -1.26 -4.62 119.36 121.87 3is9 n ILE 5 Ca 0.28 0.25 -0.26 0.00 -2.50 0.00 0.00 62.75 60.52 3is9 n ILE 5 Cb 0.11 -1.25 -0.08 0.00 0.54 0.00 0.00 39.64 38.97 3is9 n ILE 5 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3is9 s GLU 6 N -2.39 1.95 -0.02 9.51 2.02 -1.26 -5.15 118.70 123.36 3is9 s GLU 6 Ca 0.00 -2.20 0.03 0.00 0.02 0.00 0.00 54.97 52.82 3is9 s GLU 6 Cb 0.00 -0.49 -0.00 0.00 0.10 0.00 0.00 34.13 33.74 3is9 s GLU 6 CO 0.00 -0.53 -0.09 0.95 0.02 0.00 0.00 175.26 175.61 3is9 s THR 7 N -3.21 0.76 0.05 3.63 -4.23 -1.26 -4.67 115.64 106.71 3is9 s THR 7 Ca 0.24 -0.37 -0.30 0.00 -1.18 0.00 0.00 61.69 60.08 3is9 s THR 7 Cb 0.02 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 3is9 s THR 7 CO 0.16 0.23 0.98 -0.69 -0.54 0.00 0.00 174.62 174.76 3is9 s VAL 8 N 0.06 4.68 0.18 2.29 1.01 -1.26 -4.92 120.40 122.44 3is9 s VAL 8 Ca -0.01 2.05 -0.33 0.00 0.00 0.00 0.00 61.98 63.69 3is9 s VAL 8 Cb -0.07 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.87 3is9 s VAL 8 CO 0.00 0.23 1.60 -2.65 0.00 0.00 0.00 175.10 174.28 3is9 n PRO 9 N 3.40 2.29 -3.82 2.72 -0.02 -1.26 -4.47 135.00 133.83 3is9 n PRO 9 Ca 0.04 0.82 -0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3is9 n PRO 9 Cb 0.50 -2.60 -0.12 0.00 -0.02 0.00 0.00 33.50 31.25 3is9 n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3is9 s VAL 10 N 0.88 0.01 0.31 -1.45 1.01 -1.26 -5.10 120.40 114.80 3is9 s VAL 10 Ca 0.77 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.72 3is9 s VAL 10 Cb -0.64 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3is9 s VAL 10 CO 0.38 -0.03 0.33 -0.54 0.00 0.00 0.00 175.10 175.24 3is9 s LYS 11 N -0.02 1.72 0.73 2.72 -0.14 -1.26 -4.60 119.74 118.89 3is9 s LYS 11 Ca -0.01 -1.85 -0.04 0.00 -1.36 0.00 0.00 55.97 52.71 3is9 s LYS 11 Cb -0.02 0.36 0.11 0.00 -1.68 0.00 0.00 37.83 36.60 3is9 s LYS 11 CO 0.00 -0.66 1.01 -0.51 -0.76 0.00 0.00 175.35 174.43 3is9 s LEU 12 N -3.29 2.95 0.34 3.17 1.43 -1.26 -3.27 118.68 118.76 3is9 s LEU 12 Ca 0.36 -0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 53.16 3is9 s LEU 12 Cb 0.02 -2.44 -0.10 0.00 0.03 0.00 0.00 46.19 43.70 3is9 s LEU 12 CO 0.22 -1.82 1.32 -0.75 0.23 0.00 0.00 176.35 175.56 3is9 s LYS 13 N -5.22 4.29 -0.44 1.70 2.20 -0.35 -4.44 119.74 117.49 3is9 s LYS 13 Ca 0.65 2.24 -0.41 0.00 -0.36 0.00 0.00 55.97 58.08 3is9 s LYS 13 Cb -0.07 -3.03 -0.17 0.00 -1.51 0.00 0.00 37.83 33.06 3is9 s LYS 13 CO 0.45 -0.25 2.10 -2.30 -0.36 0.00 0.00 175.35 174.99 3is9 n PRO 14 N 0.69 0.37 -1.39 4.03 -0.02 -1.26 -0.86 135.00 136.56 3is9 n PRO 14 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3is9 n PRO 14 Cb 0.42 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3is9 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3is9 n GLY 15 N 6.86 0.39 3.26 -1.23 0.00 -1.26 -5.06 105.19 108.15 3is9 n GLY 15 Ca 0.48 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 3is9 n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3is9 s MET 16 N -2.79 2.74 0.46 1.61 0.00 -0.04 -5.13 119.30 116.15 3is9 s MET 16 Ca 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 55.69 54.74 3is9 s MET 16 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 34.83 32.57 3is9 s MET 16 CO 0.00 0.31 0.78 0.34 0.00 0.00 0.00 175.02 176.45 3is9 s ASP 17 N 0.01 6.31 1.06 1.11 2.15 -1.26 -4.60 116.67 121.45 3is9 s ASP 17 Ca -0.09 0.96 -0.12 0.00 0.43 0.00 0.00 52.55 53.73 3is9 s ASP 17 Cb -0.15 -2.26 0.20 0.00 -0.30 0.00 0.00 42.92 40.41 3is9 s ASP 17 CO 0.05 -0.54 0.88 0.61 -0.17 0.00 0.00 175.17 176.01 3is9 n GLY 18 N -2.05 -1.52 3.79 2.66 0.00 -1.26 -4.97 105.19 101.83 3is9 n GLY 18 Ca 0.01 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 3is9 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3is9 s PRO 19 N -4.29 3.61 -0.35 1.61 0.04 -1.26 -4.99 135.00 129.38 3is9 s PRO 19 Ca 0.65 1.47 0.15 0.00 0.04 0.00 0.00 61.00 63.32 3is9 s PRO 19 Cb -0.23 -2.06 0.42 0.00 0.04 0.00 0.00 34.50 32.68 3is9 s PRO 19 CO 0.63 -0.61 0.99 1.63 0.04 0.00 0.00 177.00 179.68 3is9 n LYS 20 N -1.10 1.12 -2.82 4.56 5.02 -1.22 -1.71 118.16 122.02 3is9 n LYS 20 Ca 0.10 -2.98 -0.40 0.00 -2.02 0.00 0.00 58.31 53.01 3is9 n LYS 20 Cb 0.52 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 3is9 n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3is9 s VAL 21 N -2.32 4.20 0.42 -0.18 1.01 0.10 -4.84 120.40 118.80 3is9 s VAL 21 Ca 0.28 1.97 -0.24 0.00 0.00 0.00 0.00 61.98 64.00 3is9 s VAL 21 Cb 0.43 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 3is9 s VAL 21 CO -0.00 0.49 1.12 -0.75 0.00 0.00 0.00 175.10 175.95 3is9 s LYS 22 N -1.04 3.99 -0.02 2.72 2.20 -1.26 -4.23 119.74 122.10 3is9 s LYS 22 Ca 0.40 1.69 -0.23 0.00 -0.36 0.00 0.00 55.97 57.47 3is9 s LYS 22 Cb -0.25 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 3is9 s LYS 22 CO 0.30 -0.34 0.67 -1.14 -0.36 0.00 0.00 175.35 174.48 3is9 s GLN 23 N -2.52 4.40 0.28 4.03 2.00 -1.26 -4.58 119.66 122.01 3is9 s GLN 23 Ca 0.60 0.86 -0.04 0.00 -2.00 0.00 0.00 55.36 54.78 3is9 s GLN 23 Cb -0.26 -3.39 -0.05 0.00 0.80 0.00 0.00 33.01 30.11 3is9 s GLN 23 CO 0.33 0.23 0.53 1.67 -0.50 0.00 0.00 175.29 177.55 3is9 s TRP 24 N 0.21 3.48 0.30 1.67 -2.14 -1.26 -5.03 118.94 116.17 3is9 s TRP 24 Ca 0.35 0.56 -0.29 0.00 2.66 0.00 0.00 56.10 59.39 3is9 s TRP 24 Cb -0.18 -2.04 -0.13 0.00 -3.10 0.00 0.00 33.47 28.01 3is9 s TRP 24 CO 0.19 0.20 1.20 -2.30 -2.66 0.00 0.00 176.95 173.57 3is9 n PRO 25 N -0.97 1.79 -4.40 3.25 -0.02 -1.26 -4.96 135.00 128.43 3is9 n PRO 25 Ca -0.02 0.63 -0.23 0.00 -2.02 0.00 0.00 63.50 61.86 3is9 n PRO 25 Cb 0.54 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 3is9 n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3is9 s LEU 26 N -0.27 2.22 0.80 2.45 1.43 -1.26 -5.14 118.68 118.91 3is9 s LEU 26 Ca 0.59 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 3is9 s LEU 26 Cb -0.64 -0.79 0.08 0.00 0.03 0.00 0.00 46.19 44.87 3is9 s LEU 26 CO 0.59 0.07 1.15 0.42 0.23 0.00 0.00 176.35 178.81 3is9 s THR 27 N -0.97 2.52 0.25 5.49 -4.23 -1.26 -4.80 115.64 112.64 3is9 s THR 27 Ca 0.04 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.73 3is9 s THR 27 Cb -0.09 -2.54 0.23 0.00 1.34 0.00 0.00 72.50 71.44 3is9 s THR 27 CO 0.02 -0.19 1.81 -0.08 -0.54 0.00 0.00 174.62 175.64 3is9 h GLU 28 N -1.04 0.79 -0.45 3.99 4.81 -2.00 -1.93 114.58 118.75 3is9 h GLU 28 Ca -0.45 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.64 3is9 h GLU 28 Cb 1.27 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3is9 h GLU 28 CO 0.47 0.52 -0.10 1.05 -0.73 0.00 0.00 179.01 180.22 3is9 h GLU 29 N 0.81 0.86 -0.52 1.92 4.11 -1.99 -1.39 114.58 118.38 3is9 h GLU 29 Ca 0.42 -0.33 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 3is9 h GLU 29 Cb 0.41 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3is9 h GLU 29 CO -0.26 0.96 0.18 0.87 0.07 0.00 0.00 179.01 180.83 3is9 h LYS 30 N 0.69 0.75 0.53 1.06 1.57 -1.83 0.02 116.57 119.36 3is9 h LYS 30 Ca 0.11 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3is9 h LYS 30 Cb 0.64 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.83 3is9 h LYS 30 CO 0.04 0.64 -0.25 0.82 -0.57 0.00 0.00 179.45 180.13 3is9 h ILE 31 N 0.74 0.44 -1.00 1.86 2.04 -1.13 -0.92 117.51 119.54 3is9 h ILE 31 Ca 0.17 -0.24 0.18 0.00 1.00 0.00 0.00 64.86 65.97 3is9 h ILE 31 Cb 0.19 0.53 -0.10 0.00 -0.74 0.00 0.00 36.82 36.70 3is9 h ILE 31 CO -0.01 0.04 0.61 0.11 0.00 0.00 0.00 178.15 178.89 3is9 h LYS 32 N -0.86 0.77 -0.51 2.37 1.57 -0.94 0.31 116.57 119.27 3is9 h LYS 32 Ca -0.07 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3is9 h LYS 32 Cb 0.60 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3is9 h LYS 32 CO 0.12 0.51 -0.10 0.00 -0.57 0.00 0.00 179.45 179.40 3is9 h ALA 33 N 1.63 0.85 -0.27 3.86 0.00 -0.78 -2.00 119.26 122.55 3is9 h ALA 33 Ca 0.56 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3is9 h ALA 33 Cb 0.83 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3is9 h ALA 33 CO -0.37 0.65 -0.34 -0.07 0.00 0.00 0.00 179.25 179.13 3is9 h LEU 34 N 0.85 0.60 -0.19 0.00 3.38 0.37 -1.44 115.31 118.87 3is9 h LEU 34 Ca 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3is9 h LEU 34 Cb 0.64 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3is9 h LEU 34 CO 0.04 0.89 0.12 0.58 0.09 0.00 0.00 178.44 180.17 3is9 h VAL 35 N 0.49 1.08 -0.20 1.22 2.07 -0.77 0.87 116.25 121.01 3is9 h VAL 35 Ca 0.05 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3is9 h VAL 35 Cb 0.82 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3is9 h VAL 35 CO 0.07 0.07 0.11 -0.33 0.02 0.00 0.00 177.57 177.51 3is9 h GLU 36 N 0.24 0.28 -0.01 1.57 5.08 -1.24 -1.52 114.58 118.97 3is9 h GLU 36 Ca 0.07 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3is9 h GLU 36 Cb 0.01 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3is9 h GLU 36 CO -0.01 0.27 -0.17 0.82 -1.00 0.00 0.00 179.01 178.92 3is9 h ILE 37 N 0.21 0.59 -0.20 3.13 1.08 -0.97 -2.95 117.51 118.41 3is9 h ILE 37 Ca 0.07 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.43 3is9 h ILE 37 Cb 0.08 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 3is9 h ILE 37 CO -0.01 0.00 -0.34 0.00 -0.69 0.00 0.00 178.15 177.11 3is9 h THR 39 N 0.36 0.94 0.04 0.00 2.02 -1.11 0.61 112.91 115.78 3is9 h THR 39 Ca 0.04 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 3is9 h THR 39 Cb 0.77 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3is9 h THR 39 CO 0.06 0.04 -0.31 -0.33 0.37 0.00 0.00 175.52 175.35 3is9 h GLU 40 N 0.24 0.09 -0.51 6.66 4.39 -1.38 -3.18 114.58 120.89 3is9 h GLU 40 Ca 0.16 -0.16 0.15 0.00 0.34 0.00 0.00 59.36 59.85 3is9 h GLU 40 Cb 0.34 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3is9 h GLU 40 CO -0.03 1.08 0.40 0.52 -1.16 0.00 0.00 179.01 179.82 3is9 h MET 41 N -0.80 0.00 0.06 2.33 2.86 -0.80 0.49 114.93 119.07 3is9 h MET 41 Ca -0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3is9 h MET 41 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 3is9 h MET 41 CO 0.04 0.00 -0.03 1.49 1.06 0.00 0.00 176.91 179.47 3is9 h GLU 42 N 0.00 -0.07 -0.30 1.72 4.81 -0.94 0.20 114.58 120.00 3is9 h GLU 42 Ca 0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3is9 h GLU 42 Cb 1.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3is9 h GLU 42 CO -0.00 0.31 0.17 0.87 -0.73 0.00 0.00 179.01 179.62 3is9 h LYS 43 N -0.47 0.42 0.00 1.92 1.57 -1.20 1.00 116.57 119.81 3is9 h LYS 43 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3is9 h LYS 43 Cb 0.41 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3is9 h LYS 43 CO 0.01 0.35 0.00 0.39 -0.57 0.00 0.00 179.45 179.64 3is9 n GLU 44 N -4.82 0.20 -0.86 3.15 1.02 0.04 -4.82 120.64 114.56 3is9 n GLU 44 Ca -0.02 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3is9 n GLU 44 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3is9 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3is9 n GLY 45 N -0.56 0.58 0.25 0.62 0.00 0.34 -4.88 105.19 101.55 3is9 n GLY 45 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 3is9 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3is9 h LYS 46 N 1.67 0.00 -4.53 1.61 1.57 -0.83 -3.43 116.57 112.63 3is9 h LYS 46 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 3is9 h LYS 46 Cb 0.07 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.23 3is9 h LYS 46 CO 0.00 0.13 -0.64 0.96 -0.57 0.00 0.00 179.45 179.34 3is9 s ILE 47 N -4.44 0.11 -0.05 1.86 -4.36 -1.12 -0.13 121.20 113.06 3is9 s ILE 47 Ca -0.04 -1.96 -0.13 0.00 -0.26 0.00 0.00 60.65 58.27 3is9 s ILE 47 Cb 0.14 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.61 3is9 s ILE 47 CO 0.63 -0.25 0.30 -0.44 0.24 0.00 0.00 174.94 175.42 3is9 s SER 48 N -3.11 -0.22 0.64 4.36 0.01 -0.82 -4.43 113.70 110.13 3is9 s SER 48 Ca 0.31 0.28 -0.17 0.00 1.31 0.00 0.00 55.95 57.68 3is9 s SER 48 Cb 0.07 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.73 3is9 s SER 48 CO 0.07 -0.31 1.18 -0.54 0.41 0.00 0.00 173.24 174.05 3is9 s LYS 49 N -0.74 2.73 0.10 12.44 1.02 -1.26 -2.02 119.74 132.01 3is9 s LYS 49 Ca -0.08 1.70 0.06 0.00 0.02 0.00 0.00 55.97 57.66 3is9 s LYS 49 Cb -0.04 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 3is9 s LYS 49 CO 0.02 -1.36 -0.15 0.96 -0.92 0.00 0.00 175.35 173.91 3is9 s ILE 50 N -1.88 1.28 0.78 2.17 -4.36 -1.11 -4.86 121.20 113.22 3is9 s ILE 50 Ca 0.74 -1.56 -0.06 0.00 -0.26 0.00 0.00 60.65 59.52 3is9 s ILE 50 Cb -0.27 -1.37 0.14 0.00 1.25 0.00 0.00 42.46 42.20 3is9 s ILE 50 CO 0.38 -0.32 1.08 -0.83 0.24 0.00 0.00 174.94 175.48 3is9 s GLY 51 N -2.16 1.76 0.00 6.27 0.00 -1.26 -4.78 107.32 107.15 3is9 s GLY 51 Ca 0.05 -1.47 0.12 0.00 0.00 0.00 0.00 44.72 43.41 3is9 s GLY 51 CO 0.03 -0.88 1.29 -1.55 0.00 0.00 0.00 173.10 171.99 3is9 n PRO 52 N -3.08 0.14 0.00 2.90 -0.04 -1.26 -2.92 135.00 130.73 3is9 n PRO 52 Ca 0.14 0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.87 3is9 n PRO 52 Cb 0.60 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.95 3is9 n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3is9 n GLU 53 N -1.32 0.22 -3.65 0.54 0.00 -1.26 -4.46 120.64 110.70 3is9 n GLU 53 Ca 0.05 0.14 -0.39 0.00 0.00 0.00 0.00 57.16 56.96 3is9 n GLU 53 Cb 0.10 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 29.92 3is9 n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3is9 s ASN 54 N -2.58 5.56 0.14 -1.84 3.84 -1.15 -4.97 114.94 113.94 3is9 s ASN 54 Ca 0.14 -0.74 0.23 0.00 0.21 0.00 0.00 52.86 52.70 3is9 s ASN 54 Cb 0.10 -1.99 0.15 0.00 -0.55 0.00 0.00 41.25 38.96 3is9 s ASN 54 CO 0.24 -0.27 1.15 -0.81 -2.79 0.00 0.00 177.10 174.62 3is9 n PRO 55 N 4.97 0.42 -2.25 0.43 -0.04 -1.26 -4.97 135.00 132.30 3is9 n PRO 55 Ca -0.13 0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 63.02 3is9 n PRO 55 Cb 0.48 -1.73 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 3is9 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3is9 s TYR 56 N -3.25 3.12 -0.11 0.54 1.51 -1.26 -4.88 117.35 113.01 3is9 s TYR 56 Ca 0.03 1.53 -0.16 0.00 -1.01 0.00 0.00 57.07 57.46 3is9 s TYR 56 Cb 0.12 -3.48 0.04 0.00 -0.11 0.00 0.00 41.96 38.53 3is9 s TYR 56 CO 0.76 -1.42 0.41 1.21 -1.11 0.00 0.00 175.55 175.40 3is9 s ASN 57 N -0.88 -0.38 -0.02 2.29 2.47 -0.69 -4.44 114.94 113.28 3is9 s ASN 57 Ca 0.53 0.63 0.02 0.00 0.42 0.00 0.00 52.86 54.46 3is9 s ASN 57 Cb -0.34 0.69 0.00 0.00 -1.45 0.00 0.00 41.25 40.15 3is9 s ASN 57 CO 0.44 -0.25 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.59 3is9 s THR 58 N -0.28 0.71 0.66 -5.21 2.01 0.85 -0.72 115.64 113.66 3is9 s THR 58 Ca -0.04 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 61.46 3is9 s THR 58 Cb -0.03 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 3is9 s THR 58 CO 0.02 0.22 1.09 -2.65 -0.69 0.00 0.00 174.62 172.61 3is9 n PRO 59 N 3.29 0.85 -3.82 4.92 -0.02 -1.26 -4.34 135.00 134.62 3is9 n PRO 59 Ca -0.18 0.34 -0.12 0.00 -2.02 0.00 0.00 63.50 61.52 3is9 n PRO 59 Cb 0.55 -2.32 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 3is9 n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3is9 s VAL 60 N -1.56 0.04 0.15 -1.45 0.11 -1.26 -2.06 120.40 114.37 3is9 s VAL 60 Ca 0.78 -0.32 -0.04 0.00 -2.93 0.00 0.00 61.98 59.48 3is9 s VAL 60 Cb -0.38 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3is9 s VAL 60 CO 0.45 -0.17 0.26 2.22 -3.33 0.00 0.00 175.10 174.52 3is9 n PHE 61 N 2.19 -1.23 -4.47 1.54 1.16 0.28 -4.89 117.46 112.04 3is9 n PHE 61 Ca -0.18 -0.80 -0.24 0.00 -1.87 0.00 0.00 57.45 54.36 3is9 n PHE 61 Cb 0.57 0.30 -0.13 0.00 -1.61 0.00 0.00 39.48 38.60 3is9 n PHE 61 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3is9 s ALA 62 N -1.68 1.62 0.00 1.98 0.00 -1.26 -0.15 121.76 122.27 3is9 s ALA 62 Ca 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3is9 s ALA 62 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3is9 s ALA 62 CO 0.06 0.34 0.00 0.44 0.00 0.00 0.00 175.76 176.60 3is9 n ILE 63 N 1.63 0.00 -3.66 0.00 -5.35 -0.10 -4.93 119.36 106.94 3is9 n ILE 63 Ca -0.18 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.23 3is9 n ILE 63 Cb 0.54 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.35 3is9 n ILE 63 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3is9 s LYS 64 N 0.80 0.47 0.57 6.28 1.02 -1.26 -1.01 119.74 126.61 3is9 s LYS 64 Ca 0.00 1.10 -0.10 0.00 0.02 0.00 0.00 55.97 56.99 3is9 s LYS 64 Cb 0.00 0.31 0.15 0.00 -0.52 0.00 0.00 37.83 37.77 3is9 s LYS 64 CO 0.00 -0.20 0.42 1.63 -0.92 0.00 0.00 175.35 176.29 3is9 n LYS 65 N 4.90 -2.53 0.00 1.68 5.02 -1.26 -4.73 118.16 121.23 3is9 n LYS 65 Ca -0.15 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 55.45 3is9 n LYS 65 Cb 0.53 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 3is9 n LYS 65 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3is9 n LYS 66 N -3.25 0.00 -0.07 1.97 2.85 -1.26 -4.49 118.16 113.91 3is9 n LYS 66 Ca 0.06 0.82 -0.06 0.00 -1.05 0.00 0.00 58.31 58.08 3is9 n LYS 66 Cb 0.25 -1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.14 3is9 n LYS 66 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3is9 n ASP 67 N -2.59 1.58 -4.54 -5.58 -0.08 -1.26 -4.91 116.55 99.18 3is9 n ASP 67 Ca 0.00 0.42 -0.44 0.00 -1.51 0.00 0.00 54.79 53.26 3is9 n ASP 67 Cb 0.00 -0.76 -0.01 0.00 2.34 0.00 0.00 41.12 42.70 3is9 n ASP 67 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3is9 n SER 68 N -4.20 0.56 0.03 1.67 2.88 -1.26 -4.81 113.62 108.49 3is9 n SER 68 Ca -0.09 1.10 0.11 0.00 -1.33 0.00 0.00 58.87 58.66 3is9 n SER 68 Cb 0.34 -1.22 0.09 0.00 -0.75 0.00 0.00 64.21 62.66 3is9 n SER 68 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3is9 n THR 69 N -0.13 0.18 -1.73 2.46 -1.04 -1.26 -4.45 114.28 108.32 3is9 n THR 69 Ca 0.11 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.05 61.50 3is9 n THR 69 Cb 0.34 0.16 -0.02 0.00 -1.82 0.00 0.00 70.33 68.98 3is9 n THR 69 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3is9 n LYS 70 N -1.91 2.76 -1.82 -2.82 4.81 -1.26 -4.96 118.16 112.96 3is9 n LYS 70 Ca 0.03 0.99 -0.39 0.00 -0.87 0.00 0.00 58.31 58.07 3is9 n LYS 70 Cb 0.42 -2.81 0.03 0.00 0.02 0.00 0.00 35.03 32.69 3is9 n LYS 70 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 3is9 s TRP 71 N 0.66 2.37 -0.03 5.64 0.52 -1.26 -4.64 118.94 122.19 3is9 s TRP 71 Ca 0.70 1.36 0.03 0.00 0.02 0.00 0.00 56.10 58.21 3is9 s TRP 71 Cb -0.50 -3.80 0.00 0.00 -1.15 0.00 0.00 33.47 28.02 3is9 s TRP 71 CO 0.39 -2.81 -0.11 0.50 0.02 0.00 0.00 176.95 174.94 3is9 s ARG 72 N -2.78 1.22 -0.00 4.98 3.52 -0.18 -4.96 118.95 120.74 3is9 s ARG 72 Ca 0.68 -0.39 -0.30 0.00 -0.13 0.00 0.00 55.73 55.59 3is9 s ARG 72 Cb -0.40 -1.10 -0.03 0.00 -1.56 0.00 0.00 34.95 31.86 3is9 s ARG 72 CO 0.49 0.15 0.97 0.21 -0.81 0.00 0.00 175.30 176.30 3is9 s LYS 73 N 0.17 4.55 -0.09 5.12 2.20 -1.26 -0.93 119.74 129.51 3is9 s LYS 73 Ca -0.04 1.40 0.03 0.00 -0.36 0.00 0.00 55.97 57.00 3is9 s LYS 73 Cb -0.10 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 3is9 s LYS 73 CO 0.01 -0.05 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.60 3is9 s LEU 74 N 1.01 1.87 -0.20 5.43 2.96 0.79 -4.95 118.68 125.59 3is9 s LEU 74 Ca 0.51 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3is9 s LEU 74 Cb -0.21 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 3is9 s LEU 74 CO 0.28 0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.63 3is9 s VAL 75 N 0.59 3.20 -1.23 1.68 1.01 -1.26 -0.55 120.40 123.83 3is9 s VAL 75 Ca -0.15 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 3is9 s VAL 75 Cb -0.17 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.82 3is9 s VAL 75 CO 0.05 0.45 1.74 -0.62 0.00 0.00 0.00 175.10 176.72 3is9 s ASP 76 N 1.25 6.44 -0.01 3.32 -1.08 -0.87 -4.78 116.67 120.92 3is9 s ASP 76 Ca 0.03 -2.13 0.01 0.00 -0.52 0.00 0.00 52.55 49.94 3is9 s ASP 76 Cb -0.14 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.78 3is9 s ASP 76 CO -0.03 -1.59 0.58 0.49 0.52 0.00 0.00 175.17 175.15 3is9 n PHE 77 N 9.65 0.12 -0.05 -5.34 3.01 -1.26 -4.30 117.46 119.28 3is9 n PHE 77 Ca 0.46 -0.05 -0.07 0.00 1.01 0.00 0.00 57.45 58.79 3is9 n PHE 77 Cb 0.47 -0.13 -0.01 0.00 -0.01 0.00 0.00 39.48 39.80 3is9 n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3is9 h ARG 78 N 0.21 -0.07 0.20 -1.08 3.08 -1.89 0.57 114.38 115.40 3is9 h ARG 78 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3is9 h ARG 78 Cb 0.60 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3is9 h ARG 78 CO 0.03 -0.05 -0.09 1.49 -1.07 0.00 0.00 179.97 180.28 3is9 h GLU 79 N -0.08 -0.25 -0.85 0.04 4.57 -2.00 -1.82 114.58 114.19 3is9 h GLU 79 Ca 0.13 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.39 3is9 h GLU 79 Cb 0.27 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.86 3is9 h GLU 79 CO -0.30 -0.08 0.52 1.25 -1.18 0.00 0.00 179.01 179.22 3is9 h LEU 80 N -0.37 0.83 -0.52 1.64 5.85 -1.80 -1.85 115.31 119.09 3is9 h LEU 80 Ca -0.03 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3is9 h LEU 80 Cb 0.28 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3is9 h LEU 80 CO 0.04 0.53 0.31 0.78 -0.34 0.00 0.00 178.44 179.77 3is9 h ASN 81 N 0.96 0.51 1.10 1.25 2.35 0.42 0.47 115.58 122.65 3is9 h ASN 81 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3is9 h ASN 81 Cb 0.15 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3is9 h ASN 81 CO -0.17 0.36 0.00 0.07 -1.65 0.00 0.00 177.43 176.04 3is9 h LYS 82 N 0.63 0.00 0.00 0.81 2.10 -0.84 -2.92 116.57 116.35 3is9 h LYS 82 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 3is9 h LYS 82 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3is9 h LYS 82 CO -0.09 0.00 -1.38 0.54 -2.00 0.00 0.00 179.45 176.52 3is9 n ARG 83 N -2.37 0.26 -2.66 0.07 1.74 -0.74 -4.93 116.66 108.04 3is9 n ARG 83 Ca 0.03 -0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 3is9 n ARG 83 Cb 0.33 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 3is9 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3is9 s THR 84 N -3.21 4.40 -0.48 0.55 2.01 0.16 -1.21 115.64 117.87 3is9 s THR 84 Ca 0.02 1.93 -0.44 0.00 0.31 0.00 0.00 61.69 63.51 3is9 s THR 84 Cb 0.15 -4.24 -0.19 0.00 0.01 0.00 0.00 72.50 68.24 3is9 s THR 84 CO 0.88 0.27 1.63 0.00 -0.69 0.00 0.00 174.62 176.71 3is9 n GLN 85 N 2.99 0.00 -1.54 4.92 10.64 -1.20 -4.63 117.38 128.56 3is9 n GLN 85 Ca 0.04 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.87 3is9 n GLN 85 Cb 0.49 -1.43 -0.06 0.00 -0.86 0.00 0.00 30.24 28.37 3is9 n GLN 85 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3is9 n ASP 86 N 4.49 1.80 -4.51 2.61 9.92 -1.26 -4.75 116.55 124.85 3is9 n ASP 86 Ca 0.34 -0.54 -0.41 0.00 -0.53 0.00 0.00 54.79 53.66 3is9 n ASP 86 Cb -0.05 -1.46 -0.10 0.00 -0.64 0.00 0.00 41.12 38.87 3is9 n ASP 86 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3is9 n PHE 87 N 15.13 0.98 -2.43 1.24 3.01 -1.26 -4.81 117.46 129.32 3is9 n PHE 87 Ca 0.44 0.29 -0.41 0.00 1.01 0.00 0.00 57.45 58.78 3is9 n PHE 87 Cb 0.44 -2.48 0.02 0.00 -0.01 0.00 0.00 39.48 37.44 3is9 n PHE 87 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3is9 n TRP 88 N 12.35 2.80 -1.01 1.38 7.02 -1.26 -4.84 117.44 133.87 3is9 n TRP 88 Ca 0.53 -2.51 -0.37 0.00 -1.02 0.00 0.00 57.50 54.13 3is9 n TRP 88 Cb 0.23 -1.22 -0.04 0.00 -2.42 0.00 0.00 31.31 27.86 3is9 n TRP 88 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3is9 n GLU 89 N -0.09 0.00 0.00 -0.99 4.71 -1.26 -4.61 120.64 118.40 3is9 n GLU 89 Ca 0.49 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.65 3is9 n GLU 89 Cb 0.26 -0.86 0.06 0.00 -1.01 0.00 0.00 31.44 29.88 3is9 n GLU 89 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3is9 n VAL 90 N 0.49 0.00 0.82 2.62 0.31 -1.26 0.23 118.33 121.54 3is9 n VAL 90 Ca 0.13 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.55 3is9 n VAL 90 Cb 0.12 -0.96 0.01 0.00 -0.91 0.00 0.00 33.84 32.10 3is9 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3is9 n GLN 91 N -0.99 1.55 -2.32 5.55 -0.00 -1.26 -5.04 117.38 114.86 3is9 n GLN 91 Ca 0.01 -1.00 -0.00 0.00 -0.00 0.00 0.00 57.00 56.01 3is9 n GLN 91 Cb 0.01 -1.35 0.00 0.00 -0.00 0.00 0.00 30.24 28.89 3is9 n GLN 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3is9 n LEU 92 N 0.10 -4.52 0.00 2.61 4.77 0.14 -4.91 117.00 115.18 3is9 n LEU 92 Ca 0.08 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3is9 n LEU 92 Cb 0.40 -2.22 0.00 0.00 -2.33 0.00 0.00 43.42 39.27 3is9 n LEU 92 CO 0.21 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 3is9 n GLY 93 N -1.40 1.18 2.74 -0.72 0.00 -1.26 -4.58 105.19 101.14 3is9 n GLY 93 Ca -0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 3is9 n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3is9 s ILE 94 N 0.00 -0.33 -0.29 -0.61 -0.00 -1.26 -5.06 121.20 113.65 3is9 s ILE 94 Ca 0.00 -0.19 -0.33 0.00 -0.00 0.00 0.00 60.65 60.12 3is9 s ILE 94 Cb 0.00 -0.73 -0.10 0.00 -0.00 0.00 0.00 42.46 41.63 3is9 s ILE 94 CO 0.00 -0.26 2.18 -0.81 -0.00 0.00 0.00 174.94 176.04 3is9 n PRO 95 N 5.32 1.39 -1.64 0.37 -0.04 -1.26 -4.75 135.00 134.39 3is9 n PRO 95 Ca -0.05 0.39 -0.66 0.00 -0.04 0.00 0.00 63.50 63.15 3is9 n PRO 95 Cb 0.49 -2.69 -0.10 0.00 -0.04 0.00 0.00 33.50 31.15 3is9 n PRO 95 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3is9 n HIS 96 N 10.15 1.63 -1.86 0.54 -0.00 -1.26 -4.71 115.22 119.71 3is9 n HIS 96 Ca 0.37 1.07 -0.21 0.00 0.46 0.00 0.00 57.72 59.40 3is9 n HIS 96 Cb 0.29 -2.21 -0.06 0.00 -0.12 0.00 0.00 29.99 27.90 3is9 n HIS 96 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3is9 s PRO 97 N 3.47 2.17 0.32 1.57 0.04 -1.26 -4.77 135.00 136.54 3is9 s PRO 97 Ca 1.06 0.00 0.17 0.00 0.04 0.00 0.00 61.00 62.27 3is9 s PRO 97 Cb -1.48 -4.96 0.90 0.00 0.04 0.00 0.00 34.50 29.01 3is9 s PRO 97 CO 0.78 -3.82 1.44 0.00 0.04 0.00 0.00 177.00 175.44 3is9 n ALA 98 N 15.88 0.79 1.31 8.56 0.00 -1.26 -1.23 120.51 144.55 3is9 n ALA 98 Ca 0.43 0.15 0.13 0.00 0.00 0.00 0.00 53.44 54.16 3is9 n ALA 98 Cb 0.45 -1.00 0.43 0.00 0.00 0.00 0.00 19.45 19.33 3is9 n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3is9 n GLY 99 N -1.28 -0.52 0.15 0.00 0.00 -1.26 -4.02 105.19 98.25 3is9 n GLY 99 Ca -0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 3is9 n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3is9 h LEU 100 N 1.38 0.40 0.00 0.99 5.85 -1.49 -3.01 115.31 119.43 3is9 h LEU 100 Ca 0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3is9 h LEU 100 Cb 0.49 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3is9 h LEU 100 CO 0.00 1.07 0.00 2.29 -0.34 0.00 0.00 178.44 181.46 3is9 n LYS 101 N -3.75 0.39 -0.03 1.25 2.85 -1.26 -3.03 118.16 114.59 3is9 n LYS 101 Ca -0.05 0.02 0.04 0.00 -1.05 0.00 0.00 58.31 57.28 3is9 n LYS 101 Cb 0.78 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.51 3is9 n LYS 101 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3is9 n LYS 102 N -1.29 0.74 -1.80 -1.58 5.02 -1.19 -4.91 118.16 113.15 3is9 n LYS 102 Ca 0.13 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 3is9 n LYS 102 Cb 0.22 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3is9 n LYS 102 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3is9 s LYS 103 N -3.05 4.16 0.56 1.97 -0.14 -1.14 -4.85 119.74 117.24 3is9 s LYS 103 Ca -0.07 2.52 0.33 0.00 -1.36 0.00 0.00 55.97 57.38 3is9 s LYS 103 Cb 0.10 -3.22 1.46 0.00 -1.68 0.00 0.00 37.83 34.49 3is9 s LYS 103 CO 0.76 -0.73 1.78 0.87 -0.76 0.00 0.00 175.35 177.28 3is9 h LYS 104 N 7.21 0.00 -3.71 1.68 1.57 -1.75 -3.43 116.57 118.14 3is9 h LYS 104 Ca -0.43 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.24 3is9 h LYS 104 Cb 1.20 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.35 3is9 h LYS 104 CO 0.94 0.00 -0.42 -1.12 -0.57 0.00 0.00 179.45 178.28 3is9 s SER 105 N -5.02 0.11 -0.15 0.86 0.01 -0.99 -4.56 113.70 103.95 3is9 s SER 105 Ca -0.05 -0.52 -0.07 0.00 1.31 0.00 0.00 55.95 56.62 3is9 s SER 105 Cb 0.20 0.29 0.06 0.00 0.21 0.00 0.00 66.02 66.78 3is9 s SER 105 CO 0.70 -0.61 0.35 -0.69 0.41 0.00 0.00 173.24 173.40 3is9 s VAL 106 N -3.08 -0.20 -0.10 3.43 1.01 0.33 -1.65 120.40 120.13 3is9 s VAL 106 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3is9 s VAL 106 Cb 0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3is9 s VAL 106 CO -0.07 0.06 -0.02 -0.89 0.00 0.00 0.00 175.10 174.19 3is9 s THR 107 N 1.75 4.14 -0.24 3.92 2.01 -0.04 -0.92 115.64 126.27 3is9 s THR 107 Ca -0.06 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 3is9 s THR 107 Cb -0.10 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3is9 s THR 107 CO -0.11 0.57 0.08 -0.69 -0.69 0.00 0.00 174.62 173.78 3is9 s VAL 108 N -0.55 4.46 -0.08 3.82 1.01 -0.86 -0.55 120.40 127.66 3is9 s VAL 108 Ca 0.09 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3is9 s VAL 108 Cb -0.12 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 3is9 s VAL 108 CO 0.02 0.35 -0.11 -0.76 0.00 0.00 0.00 175.10 174.60 3is9 s LEU 109 N 1.39 2.88 -1.08 3.92 1.43 0.18 -2.80 118.68 124.60 3is9 s LEU 109 Ca 0.05 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 3is9 s LEU 109 Cb -0.15 -1.61 0.20 0.00 0.03 0.00 0.00 46.19 44.66 3is9 s LEU 109 CO 0.04 0.31 1.21 -0.62 0.23 0.00 0.00 176.35 177.51 3is9 s ASP 110 N -0.49 7.02 -0.08 2.29 2.15 -1.24 0.37 116.67 126.68 3is9 s ASP 110 Ca 0.07 -2.93 0.07 0.00 0.43 0.00 0.00 52.55 50.18 3is9 s ASP 110 Cb -0.12 -2.33 0.34 0.00 -0.30 0.00 0.00 42.92 40.51 3is9 s ASP 110 CO 0.02 -0.66 1.06 1.33 -0.17 0.00 0.00 175.17 176.75 3is9 n VAL 111 N 4.20 1.04 -0.19 1.11 0.24 -0.94 -4.33 118.33 119.45 3is9 n VAL 111 Ca 0.28 -0.56 -0.02 0.00 -2.04 0.00 0.00 64.34 62.00 3is9 n VAL 111 Cb 0.44 -0.30 0.04 0.00 -1.47 0.00 0.00 33.84 32.55 3is9 n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3is9 h GLY 112 N 4.72 0.27 -0.38 7.63 0.00 -1.86 -1.92 103.07 111.53 3is9 h GLY 112 Ca 0.00 0.26 0.27 0.00 0.00 0.00 0.00 47.33 47.86 3is9 h GLY 112 CO 0.17 -0.23 0.46 -0.55 0.00 0.00 0.00 176.54 176.40 3is9 h ASP 113 N -0.06 0.39 -0.95 0.19 3.32 -1.93 -0.43 116.42 116.94 3is9 h ASP 113 Ca 0.27 0.18 0.18 0.00 0.02 0.00 0.00 57.03 57.68 3is9 h ASP 113 Cb 0.48 0.15 -0.17 0.00 0.22 0.00 0.00 39.33 40.00 3is9 h ASP 113 CO -0.63 -0.07 -0.27 0.00 -1.72 0.00 0.00 179.24 176.55 3is9 n ALA 114 N -2.43 0.15 -0.34 3.45 0.00 -0.72 -0.56 120.51 120.06 3is9 n ALA 114 Ca 0.27 1.03 0.19 0.00 0.00 0.00 0.00 53.44 54.93 3is9 n ALA 114 Cb 0.81 -0.58 0.41 0.00 0.00 0.00 0.00 19.45 20.09 3is9 n ALA 114 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3is9 h TYR 115 N 0.00 0.97 0.00 0.00 0.99 -1.23 -2.43 116.97 115.27 3is9 h TYR 115 Ca 0.43 0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.19 3is9 h TYR 115 Cb 0.67 -0.28 0.00 0.00 1.00 0.00 0.00 36.73 38.12 3is9 h TYR 115 CO -0.76 0.01 0.00 1.19 -0.00 0.00 0.00 178.16 178.60 3is9 n PHE 116 N -4.90 0.00 0.95 4.88 0.99 0.28 -2.13 117.46 117.53 3is9 n PHE 116 Ca 0.28 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.84 3is9 n PHE 116 Cb 0.81 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 39.31 3is9 n PHE 116 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3is9 n SER 117 N -0.89 2.20 -4.42 4.37 3.41 -0.92 -4.85 113.62 112.52 3is9 n SER 117 Ca 0.05 -1.60 -0.34 0.00 -0.26 0.00 0.00 58.87 56.72 3is9 n SER 117 Cb 0.02 0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 64.20 3is9 n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3is9 s VAL 118 N -2.25 3.57 0.61 -3.33 1.01 -0.90 -3.60 120.40 115.51 3is9 s VAL 118 Ca 0.20 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 3is9 s VAL 118 Cb 0.18 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3is9 s VAL 118 CO 0.48 0.48 1.15 -2.16 0.00 0.00 0.00 175.10 175.04 3is9 s PRO 119 N 0.70 2.96 -0.11 2.72 0.04 -1.26 -1.45 135.00 138.60 3is9 s PRO 119 Ca -0.03 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 3is9 s PRO 119 Cb -0.15 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3is9 s PRO 119 CO 0.02 -1.16 0.13 -1.17 0.04 0.00 0.00 177.00 174.86 3is9 s LEU 120 N -4.34 4.34 -0.24 -3.56 2.96 0.10 -4.61 118.68 113.32 3is9 s LEU 120 Ca 0.72 0.44 -0.37 0.00 -0.22 0.00 0.00 54.13 54.71 3is9 s LEU 120 Cb -0.25 -2.09 -0.13 0.00 0.50 0.00 0.00 46.19 44.22 3is9 s LEU 120 CO 0.35 0.40 1.94 -0.67 -1.32 0.00 0.00 176.35 177.05 3is9 n ASP 121 N 1.92 2.66 -0.36 3.68 2.03 -1.26 -4.81 116.55 120.40 3is9 n ASP 121 Ca -0.19 0.82 0.30 0.00 0.52 0.00 0.00 54.79 56.24 3is9 n ASP 121 Cb 0.55 -1.26 0.56 0.00 -0.72 0.00 0.00 41.12 40.25 3is9 n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3is9 h GLU 122 N 9.61 0.17 0.00 -0.67 4.57 -1.95 0.21 114.58 126.52 3is9 h GLU 122 Ca -0.41 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3is9 h GLU 122 Cb 1.30 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3is9 h GLU 122 CO 0.98 0.11 0.00 -0.25 -1.18 0.00 0.00 179.01 178.67 3is9 n ASP 123 N -4.97 0.34 -0.03 1.04 8.00 -1.26 -3.39 116.55 116.29 3is9 n ASP 123 Ca 0.35 0.56 0.06 0.00 0.71 0.00 0.00 54.79 56.46 3is9 n ASP 123 Cb 1.19 -0.64 -0.16 0.00 -0.02 0.00 0.00 41.12 41.50 3is9 n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3is9 n PHE 124 N -1.85 0.00 -0.30 1.24 7.35 0.71 -4.64 117.46 119.97 3is9 n PHE 124 Ca 0.05 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.87 3is9 n PHE 124 Cb 0.29 -0.57 0.29 0.00 0.35 0.00 0.00 39.48 39.84 3is9 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3is9 h ARG 125 N 0.00 0.17 -0.02 -4.13 3.08 -1.53 0.49 114.38 112.44 3is9 h ARG 125 Ca -0.12 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3is9 h ARG 125 Cb 1.21 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3is9 h ARG 125 CO 0.01 0.11 0.07 1.57 -1.07 0.00 0.00 179.97 180.66 3is9 h LYS 126 N 0.17 0.00 0.00 0.04 2.10 -1.82 -1.56 116.57 115.51 3is9 h LYS 126 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 3is9 h LYS 126 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3is9 h LYS 126 CO -0.69 0.00 0.00 1.88 -2.00 0.00 0.00 179.45 178.64 3is9 h TYR 127 N 0.00 0.00 -0.75 0.07 0.99 -1.22 -3.22 116.97 112.84 3is9 h TYR 127 Ca 0.01 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.44 3is9 h TYR 127 Cb 0.16 0.00 -0.18 0.00 1.00 0.00 0.00 36.73 37.71 3is9 h TYR 127 CO 0.00 0.00 0.38 0.25 -0.00 0.00 0.00 178.16 178.79 3is9 n THR 128 N -2.56 2.77 -2.25 -2.88 -2.24 -0.59 -4.70 114.28 101.83 3is9 n THR 128 Ca 0.03 -1.53 -0.42 0.00 -2.27 0.00 0.00 64.05 59.87 3is9 n THR 128 Cb 0.37 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 3is9 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3is9 s ALA 129 N -2.78 3.51 0.07 6.98 0.00 -1.22 -4.19 121.76 124.13 3is9 s ALA 129 Ca 0.49 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3is9 s ALA 129 Cb 0.40 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3is9 s ALA 129 CO 0.11 -0.52 -0.05 -0.59 0.00 0.00 0.00 175.76 174.71 3is9 s PHE 130 N 0.45 0.67 -0.06 0.00 -0.12 -0.82 -0.10 117.98 118.00 3is9 s PHE 130 Ca 0.58 -0.97 0.04 0.00 -0.05 0.00 0.00 56.93 56.54 3is9 s PHE 130 Cb -0.35 -0.44 -0.00 0.00 -0.63 0.00 0.00 43.02 41.60 3is9 s PHE 130 CO 0.35 -0.27 -0.19 0.99 -0.05 0.00 0.00 175.22 176.05 3is9 s THR 131 N -3.62 1.62 -0.69 -4.49 2.01 -1.26 -1.88 115.64 107.32 3is9 s THR 131 Ca 0.08 -0.81 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 3is9 s THR 131 Cb 0.06 -1.40 0.12 0.00 0.01 0.00 0.00 72.50 71.28 3is9 s THR 131 CO -0.07 0.46 0.82 -0.63 -0.69 0.00 0.00 174.62 174.51 3is9 s ILE 132 N 0.15 4.84 0.99 1.82 1.01 -0.45 -4.75 121.20 124.81 3is9 s ILE 132 Ca -0.08 -1.22 -0.13 0.00 0.00 0.00 0.00 60.65 59.22 3is9 s ILE 132 Cb -0.14 -4.57 0.10 0.00 0.01 0.00 0.00 42.46 37.87 3is9 s ILE 132 CO 0.04 -1.23 0.62 -0.81 0.00 0.00 0.00 174.94 173.56 3is9 n PRO 133 N 6.24 -0.72 -4.29 2.79 -0.04 -1.26 -2.64 135.00 135.07 3is9 n PRO 133 Ca 0.00 -0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 63.05 3is9 n PRO 133 Cb 0.45 -2.01 -0.08 0.00 -0.04 0.00 0.00 33.50 31.81 3is9 n PRO 133 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3is9 s SER 134 N -2.20 4.42 0.27 3.54 1.04 -1.26 -4.87 113.70 114.64 3is9 s SER 134 Ca 0.61 -0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.15 3is9 s SER 134 Cb -0.21 -0.80 -0.09 0.00 0.10 0.00 0.00 66.02 65.02 3is9 s SER 134 CO 0.64 0.06 1.18 -0.63 0.98 0.00 0.00 173.24 175.48 3is9 s ILE 135 N -1.99 3.30 -1.59 -1.02 1.01 -1.26 -3.63 121.20 116.03 3is9 s ILE 135 Ca 0.28 1.24 -0.16 0.00 0.00 0.00 0.00 60.65 62.02 3is9 s ILE 135 Cb -0.08 -3.79 0.12 0.00 0.01 0.00 0.00 42.46 38.72 3is9 s ILE 135 CO 0.18 0.27 0.85 -3.20 0.00 0.00 0.00 174.94 173.04 3is9 n ASN 136 N 1.48 -4.12 -3.03 3.58 5.15 -1.26 -1.96 115.26 115.10 3is9 n ASN 136 Ca 0.01 -0.83 -0.12 0.00 -0.60 0.00 0.00 54.58 53.04 3is9 n ASN 136 Cb 0.44 -3.33 -0.02 0.00 -0.53 0.00 0.00 39.78 36.34 3is9 n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3is9 n ASN 137 N -2.69 -1.34 0.08 1.20 3.02 -1.24 -4.80 115.26 109.49 3is9 n ASN 137 Ca 0.05 0.03 -0.03 0.00 -0.03 0.00 0.00 54.58 54.61 3is9 n ASN 137 Cb 0.51 -1.25 -0.02 0.00 -0.61 0.00 0.00 39.78 38.41 3is9 n ASN 137 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3is9 h GLU 138 N -0.24 -0.22 -6.75 3.52 5.08 -1.67 -3.46 114.58 110.86 3is9 h GLU 138 Ca -0.17 0.01 -0.43 0.00 -1.00 0.00 0.00 59.36 57.77 3is9 h GLU 138 Cb 1.11 0.05 0.04 0.00 0.50 0.00 0.00 28.75 30.45 3is9 h GLU 138 CO 0.25 -0.14 -0.09 0.95 -1.00 0.00 0.00 179.01 178.97 3is9 s THR 139 N -2.61 2.73 0.48 1.13 -4.23 -1.26 -5.08 115.64 106.79 3is9 s THR 139 Ca -0.03 -0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 59.62 3is9 s THR 139 Cb 0.00 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.80 3is9 s THR 139 CO 0.10 0.00 0.87 -2.16 -0.54 0.00 0.00 174.62 172.89 3is9 s PRO 140 N -4.67 3.75 0.50 3.99 0.04 -1.26 -4.68 135.00 132.67 3is9 s PRO 140 Ca 0.57 0.59 -0.22 0.00 0.04 0.00 0.00 61.00 61.98 3is9 s PRO 140 Cb -0.10 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 3is9 s PRO 140 CO 0.37 -0.21 1.20 0.20 0.04 0.00 0.00 177.00 178.60 3is9 s GLY 141 N -3.47 2.77 -0.19 0.56 0.00 -1.26 -4.80 107.32 100.93 3is9 s GLY 141 Ca 0.53 0.99 -0.29 0.00 0.00 0.00 0.00 44.72 45.95 3is9 s GLY 141 CO 0.37 1.44 1.10 -0.42 0.00 0.00 0.00 173.10 175.59 3is9 s ILE 142 N -1.54 4.58 -0.12 0.90 -1.09 -1.08 -4.86 121.20 117.98 3is9 s ILE 142 Ca 0.68 1.90 -0.06 0.00 -2.23 0.00 0.00 60.65 60.94 3is9 s ILE 142 Cb -0.30 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.32 3is9 s ILE 142 CO 0.35 -0.14 0.09 -0.13 -1.23 0.00 0.00 174.94 173.88 3is9 s ARG 143 N 3.09 3.40 0.19 2.79 0.52 -1.26 -1.34 118.95 126.35 3is9 s ARG 143 Ca 0.47 -0.25 -0.01 0.00 -0.52 0.00 0.00 55.73 55.43 3is9 s ARG 143 Cb -0.17 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 3is9 s ARG 143 CO 0.10 0.67 0.11 0.71 0.02 0.00 0.00 175.30 176.91 3is9 s TYR 144 N -0.73 1.15 -0.01 -0.53 1.51 -0.79 -2.75 117.35 115.20 3is9 s TYR 144 Ca 0.13 -1.33 -0.12 0.00 -1.01 0.00 0.00 57.07 54.74 3is9 s TYR 144 Cb -0.12 -0.58 0.02 0.00 -0.11 0.00 0.00 41.96 41.16 3is9 s TYR 144 CO 0.03 -0.58 0.24 -1.14 -1.11 0.00 0.00 175.55 172.98 3is9 s GLN 145 N -4.13 0.57 0.30 -0.62 0.74 -0.86 -1.94 119.66 113.73 3is9 s GLN 145 Ca 0.36 -0.22 -0.25 0.00 0.05 0.00 0.00 55.36 55.30 3is9 s GLN 145 Cb 0.07 0.25 -0.10 0.00 1.10 0.00 0.00 33.01 34.33 3is9 s GLN 145 CO 0.10 -0.15 0.90 0.71 -0.55 0.00 0.00 175.29 176.31 3is9 s TYR 146 N -1.23 3.68 -0.11 1.67 1.51 -1.26 -1.94 117.35 119.68 3is9 s TYR 146 Ca -0.13 1.71 0.11 0.00 -1.01 0.00 0.00 57.07 57.75 3is9 s TYR 146 Cb -0.06 -2.86 -0.16 0.00 -0.11 0.00 0.00 41.96 38.77 3is9 s TYR 146 CO 0.03 0.24 0.07 0.09 -1.11 0.00 0.00 175.55 174.87 3is9 n ASN 147 N 0.60 1.99 -4.88 2.29 3.02 0.82 -4.72 115.26 114.36 3is9 n ASN 147 Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.31 3is9 n ASN 147 Cb 0.50 0.90 -0.02 0.00 -0.61 0.00 0.00 39.78 40.56 3is9 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3is9 s VAL 148 N -2.37 1.89 0.05 2.41 -7.23 -1.20 0.00 120.40 113.96 3is9 s VAL 148 Ca -0.06 -1.48 -0.31 0.00 -1.81 0.00 0.00 61.98 58.33 3is9 s VAL 148 Cb 0.04 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.53 3is9 s VAL 148 CO 0.51 0.00 1.54 -0.76 -0.31 0.00 0.00 175.10 176.07 3is9 s LEU 149 N -4.22 4.35 0.02 1.32 1.43 -0.53 -4.54 118.68 116.50 3is9 s LEU 149 Ca 0.37 2.35 -0.21 0.00 -1.03 0.00 0.00 54.13 55.61 3is9 s LEU 149 Cb -0.02 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 3is9 s LEU 149 CO 0.23 -0.81 0.62 -2.16 0.23 0.00 0.00 176.35 174.46 3is9 s PRO 150 N 2.35 4.33 0.21 1.29 0.04 -1.26 -4.06 135.00 137.90 3is9 s PRO 150 Ca 0.69 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 62.22 3is9 s PRO 150 Cb -0.37 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 30.74 3is9 s PRO 150 CO 0.30 0.39 1.54 -0.65 0.04 0.00 0.00 177.00 178.62 3is9 s GLN 151 N -0.31 4.22 0.00 4.56 -0.21 -1.26 -2.36 119.66 124.30 3is9 s GLN 151 Ca 0.32 2.38 0.00 0.00 0.02 0.00 0.00 55.36 58.08 3is9 s GLN 151 Cb -0.19 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.70 3is9 s GLN 151 CO 0.18 -0.56 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 3is9 n GLY 152 N 3.08 2.30 3.80 3.09 0.00 -1.26 -4.69 105.19 111.51 3is9 n GLY 152 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3is9 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3is9 s TRP 153 N -2.48 3.74 0.38 1.61 -0.00 -0.99 -4.63 118.94 116.57 3is9 s TRP 153 Ca 0.00 1.51 0.23 0.00 -0.00 0.00 0.00 56.10 57.84 3is9 s TRP 153 Cb 0.00 -2.70 1.23 0.00 -0.00 0.00 0.00 33.47 32.01 3is9 s TRP 153 CO 0.00 0.38 2.00 -0.22 -0.00 0.00 0.00 176.95 179.11 3is9 h LYS 154 N 3.70 0.00 0.00 5.86 3.64 -1.91 -2.86 116.57 125.00 3is9 h LYS 154 Ca -0.48 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 3is9 h LYS 154 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3is9 h LYS 154 CO 0.65 0.18 -0.35 0.78 -2.27 0.00 0.00 179.45 178.43 3is9 h GLY 155 N 0.99 0.00 0.99 5.01 0.00 -1.93 -3.34 103.07 104.79 3is9 h GLY 155 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3is9 h GLY 155 CO 0.02 0.00 0.05 1.76 0.00 0.00 0.00 176.54 178.37 3is9 h SER 156 N 0.00 0.08 0.17 0.19 0.02 -1.77 0.12 113.55 112.36 3is9 h SER 156 Ca -0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3is9 h SER 156 Cb 1.13 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3is9 h SER 156 CO 0.05 0.07 -0.19 1.55 -1.14 0.00 0.00 176.83 177.17 3is9 h PRO 157 N 0.09 0.03 0.12 3.45 0.13 -1.74 -1.84 132.00 132.23 3is9 h PRO 157 Ca 0.03 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3is9 h PRO 157 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3is9 h PRO 157 CO -0.01 0.22 -0.06 0.00 -0.23 0.00 0.00 178.00 177.93 3is9 h ALA 158 N 1.78 -0.16 -0.12 -0.56 0.00 -1.62 -0.66 119.26 117.92 3is9 h ALA 158 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3is9 h ALA 158 Cb 0.35 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3is9 h ALA 158 CO 0.02 -0.16 0.33 0.82 0.00 0.00 0.00 179.25 180.26 3is9 h ILE 159 N -1.01 0.14 0.00 0.00 1.08 -0.76 0.62 117.51 117.59 3is9 h ILE 159 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3is9 h ILE 159 Cb 0.32 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 3is9 h ILE 159 CO 0.03 0.00 -1.53 0.33 -0.69 0.00 0.00 178.15 176.29 3is9 n PHE 160 N -3.21 0.02 -0.41 1.37 7.35 -0.69 -4.47 117.46 117.42 3is9 n PHE 160 Ca 0.01 0.01 0.33 0.00 -0.76 0.00 0.00 57.45 57.04 3is9 n PHE 160 Cb 0.41 -0.30 0.62 0.00 0.35 0.00 0.00 39.48 40.57 3is9 n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3is9 h GLN 161 N 0.00 0.16 0.80 -4.13 4.15 0.76 -1.00 115.11 115.85 3is9 h GLN 161 Ca 0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3is9 h GLN 161 Cb 0.78 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.44 3is9 h GLN 161 CO 0.00 0.10 -0.38 0.66 -1.93 0.00 0.00 178.83 177.28 3is9 h SER 162 N 0.16 -0.91 -0.37 -0.69 4.64 -1.78 -2.35 113.55 112.25 3is9 h SER 162 Ca 0.74 0.03 0.05 0.00 -0.47 0.00 0.00 61.79 62.15 3is9 h SER 162 Cb 2.30 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 64.61 3is9 h SER 162 CO -0.34 -0.63 0.25 0.28 -0.87 0.00 0.00 176.83 175.52 3is9 h SER 163 N -1.11 0.23 -0.23 4.97 0.02 -1.51 -2.80 113.55 113.11 3is9 h SER 163 Ca -0.11 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 3is9 h SER 163 Cb 0.82 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 3is9 h SER 163 CO 0.18 0.16 -0.31 -0.03 -1.14 0.00 0.00 176.83 175.69 3is9 h MET 164 N 0.27 0.62 -0.71 3.45 -1.53 -1.31 -2.42 114.93 113.29 3is9 h MET 164 Ca 0.16 -0.36 0.13 0.00 -3.44 0.00 0.00 59.70 56.19 3is9 h MET 164 Cb 0.30 0.03 -0.09 0.00 -0.55 0.00 0.00 31.60 31.29 3is9 h MET 164 CO -0.03 0.96 0.28 1.15 0.14 0.00 0.00 176.91 179.41 3is9 h THR 165 N 0.33 0.70 0.00 -0.77 2.02 -1.14 -1.35 112.91 112.69 3is9 h THR 165 Ca 0.03 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 3is9 h THR 165 Cb 0.89 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3is9 h THR 165 CO 0.07 0.08 -0.47 0.07 0.37 0.00 0.00 175.52 175.65 3is9 h LYS 166 N 0.44 0.00 0.00 6.66 2.10 -1.58 -2.89 116.57 121.30 3is9 h LYS 166 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 3is9 h LYS 166 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 3is9 h LYS 166 CO -0.37 0.47 0.00 -0.89 -2.00 0.00 0.00 179.45 176.66 3is9 n ILE 167 N -3.24 0.10 -0.01 0.07 5.41 -0.55 -3.37 119.36 117.77 3is9 n ILE 167 Ca 0.02 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3is9 n ILE 167 Cb 0.71 -0.65 -0.04 0.00 -0.71 0.00 0.00 39.64 38.95 3is9 n ILE 167 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3is9 n LEU 168 N -1.11 0.00 -0.30 1.39 4.77 -0.94 -4.76 117.00 116.05 3is9 n LEU 168 Ca 0.15 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 3is9 n LEU 168 Cb 0.12 0.06 0.24 0.00 -2.33 0.00 0.00 43.42 41.51 3is9 n LEU 168 CO 0.15 0.06 0.84 -0.33 -1.33 0.00 0.00 177.39 176.77 3is9 h GLU 169 N 0.00 0.08 -0.20 3.23 4.39 -1.52 0.32 114.58 120.89 3is9 h GLU 169 Ca -0.06 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3is9 h GLU 169 Cb 0.73 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3is9 h GLU 169 CO 0.00 0.05 0.00 -2.30 -1.16 0.00 0.00 179.01 175.61 3is9 n PRO 170 N -5.39 0.36 0.00 2.33 -0.02 -1.26 -0.98 135.00 130.05 3is9 n PRO 170 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3is9 n PRO 170 Cb 0.64 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 3is9 n PRO 170 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3is9 n PHE 171 N -0.06 0.00 0.13 6.00 7.35 0.97 -4.65 117.46 127.21 3is9 n PHE 171 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 3is9 n PHE 171 Cb 0.05 0.35 0.39 0.00 0.35 0.00 0.00 39.48 40.62 3is9 n PHE 171 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3is9 h LYS 172 N 0.00 0.20 -0.25 -4.13 1.57 -0.87 0.40 116.57 113.49 3is9 h LYS 172 Ca 0.00 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 3is9 h LYS 172 Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3is9 h LYS 172 CO 0.00 0.36 -0.62 0.87 -0.57 0.00 0.00 179.45 179.49 3is9 h LYS 173 N 0.19 0.84 0.52 3.15 1.79 -1.30 -3.35 116.57 118.42 3is9 h LYS 173 Ca 0.04 -0.58 -0.03 0.00 -2.18 0.00 0.00 60.65 57.90 3is9 h LYS 173 Cb 0.40 0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.14 3is9 h LYS 173 CO 0.02 1.20 -0.25 0.37 -1.08 0.00 0.00 179.45 179.72 3is9 h GLN 174 N 0.62 -0.68 -4.90 3.15 4.15 -1.51 -3.40 115.11 112.54 3is9 h GLN 174 Ca -0.01 0.05 -0.69 0.00 0.77 0.00 0.00 58.65 58.77 3is9 h GLN 174 Cb 1.23 0.15 -0.18 0.00 0.21 0.00 0.00 27.48 28.89 3is9 h GLN 174 CO 0.13 -0.45 0.45 -0.80 -1.93 0.00 0.00 178.83 176.23 3is9 s ASN 175 N -4.63 6.37 0.25 -0.69 0.01 0.13 -4.92 114.94 111.46 3is9 s ASN 175 Ca -0.10 -1.63 0.00 0.00 -0.71 0.00 0.00 52.86 50.42 3is9 s ASN 175 Cb 0.01 -2.35 0.29 0.00 0.41 0.00 0.00 41.25 39.61 3is9 s ASN 175 CO 0.31 -1.13 1.64 1.55 -1.51 0.00 0.00 177.10 177.95 3is9 h PRO 176 N 9.04 0.51 0.00 -0.60 0.13 -1.79 -3.28 132.00 136.01 3is9 h PRO 176 Ca -0.11 -0.24 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 3is9 h PRO 176 Cb 1.06 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3is9 h PRO 176 CO 1.09 0.80 -0.52 0.38 -0.23 0.00 0.00 178.00 179.52 3is9 h ASP 177 N 0.43 0.00 -3.98 1.44 3.04 -1.93 -3.47 116.42 111.95 3is9 h ASP 177 Ca 0.05 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 53.32 3is9 h ASP 177 Cb 0.83 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 39.18 3is9 h ASP 177 CO 0.07 0.20 0.51 -0.63 -2.04 0.00 0.00 179.24 177.34 3is9 s ILE 178 N -3.15 3.02 -0.09 4.15 1.01 -1.24 -4.90 121.20 120.01 3is9 s ILE 178 Ca 0.03 0.80 0.02 0.00 0.00 0.00 0.00 60.65 61.51 3is9 s ILE 178 Cb 0.07 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 3is9 s ILE 178 CO 0.73 0.03 -0.15 -0.69 0.00 0.00 0.00 174.94 174.86 3is9 s VAL 179 N -1.47 2.97 -0.08 2.92 1.01 -0.70 -5.00 120.40 120.06 3is9 s VAL 179 Ca 0.61 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3is9 s VAL 179 Cb -0.31 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3is9 s VAL 179 CO 0.38 0.56 -0.14 -0.63 0.00 0.00 0.00 175.10 175.26 3is9 s ILE 180 N -0.18 1.36 0.06 2.22 1.01 -1.26 -0.31 121.20 124.10 3is9 s ILE 180 Ca -0.00 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3is9 s ILE 180 Cb -0.13 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3is9 s ILE 180 CO 0.03 0.41 -0.12 -0.47 0.00 0.00 0.00 174.94 174.79 3is9 s TYR 181 N 0.76 1.07 -0.02 3.97 5.04 0.14 -4.96 117.35 123.34 3is9 s TYR 181 Ca -0.12 -0.43 0.06 0.00 -2.44 0.00 0.00 57.07 54.14 3is9 s TYR 181 Cb -0.16 -0.62 -0.01 0.00 0.35 0.00 0.00 41.96 41.52 3is9 s TYR 181 CO 0.02 0.02 -0.21 -1.14 -1.34 0.00 0.00 175.55 172.90 3is9 s GLN 182 N -1.53 1.79 -0.13 4.97 0.74 -1.26 0.18 119.66 124.43 3is9 s GLN 182 Ca -0.03 -0.75 -0.06 0.00 0.05 0.00 0.00 55.36 54.57 3is9 s GLN 182 Cb -0.09 -1.68 0.05 0.00 1.10 0.00 0.00 33.01 32.39 3is9 s GLN 182 CO 0.02 0.42 0.29 -0.47 -0.55 0.00 0.00 175.29 175.00 3is9 s TYR 183 N -0.40 -0.42 0.00 1.67 5.04 -0.20 -5.00 117.35 118.04 3is9 s TYR 183 Ca 0.06 0.95 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 3is9 s TYR 183 Cb -0.09 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.32 3is9 s TYR 183 CO -0.00 -0.28 0.00 -1.33 -1.34 0.00 0.00 175.55 172.60 3is9 n MET 184 N 4.41 0.00 -0.66 4.97 2.81 -1.26 0.33 117.12 127.71 3is9 n MET 184 Ca -0.22 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.75 3is9 n MET 184 Cb 0.53 0.00 0.34 0.00 -0.71 0.00 0.00 33.22 33.38 3is9 n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3is9 n ASP 185 N 3.69 4.73 -4.51 7.83 8.00 -1.26 -4.61 116.55 130.43 3is9 n ASP 185 Ca 0.00 -2.57 -0.31 0.00 0.71 0.00 0.00 54.79 52.62 3is9 n ASP 185 Cb 0.00 -0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 40.39 3is9 n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3is9 s ASP 186 N -0.79 4.08 -0.13 -2.24 1.01 0.15 -2.22 116.67 116.53 3is9 s ASP 186 Ca 0.48 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 53.37 3is9 s ASP 186 Cb 0.33 -0.74 -0.01 0.00 1.01 0.00 0.00 42.92 43.51 3is9 s ASP 186 CO 0.19 0.24 -0.16 -0.22 0.21 0.00 0.00 175.17 175.44 3is9 s LEU 187 N -1.64 2.53 -0.21 1.23 2.96 0.16 -1.03 118.68 122.68 3is9 s LEU 187 Ca 0.17 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3is9 s LEU 187 Cb -0.11 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3is9 s LEU 187 CO 0.08 0.13 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.89 3is9 s TYR 188 N 0.53 2.97 -0.31 5.38 1.51 0.48 0.51 117.35 128.42 3is9 s TYR 188 Ca -0.10 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.18 3is9 s TYR 188 Cb -0.16 -2.08 0.06 0.00 -0.11 0.00 0.00 41.96 39.67 3is9 s TYR 188 CO 0.04 -0.43 0.01 0.08 -1.11 0.00 0.00 175.55 174.14 3is9 s VAL 189 N 1.26 2.87 0.19 0.71 1.01 0.29 0.29 120.40 127.01 3is9 s VAL 189 Ca 0.03 -1.53 0.05 0.00 0.00 0.00 0.00 61.98 60.53 3is9 s VAL 189 Cb -0.14 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3is9 s VAL 189 CO -0.01 -0.18 0.22 -0.83 0.00 0.00 0.00 175.10 174.30 3is9 s GLY 190 N 1.27 1.58 0.35 4.51 0.00 0.58 -0.86 107.32 114.75 3is9 s GLY 190 Ca -0.04 -1.20 -0.17 0.00 0.00 0.00 0.00 44.72 43.31 3is9 s GLY 190 CO -0.02 -1.22 0.81 -1.35 0.00 0.00 0.00 173.10 171.32 3is9 s SER 191 N -3.40 -0.03 -0.15 1.64 1.04 -0.66 -1.71 113.70 110.42 3is9 s SER 191 Ca 0.33 -1.02 0.16 0.00 0.48 0.00 0.00 55.95 55.89 3is9 s SER 191 Cb -0.10 0.80 0.33 0.00 0.10 0.00 0.00 66.02 67.15 3is9 s SER 191 CO 0.26 -1.57 1.17 0.47 0.98 0.00 0.00 173.24 174.55 3is9 n ASP 192 N -1.26 2.01 -2.33 7.02 8.00 -1.26 -2.01 116.55 126.72 3is9 n ASP 192 Ca -0.07 -3.30 0.00 0.00 0.71 0.00 0.00 54.79 52.13 3is9 n ASP 192 Cb 0.60 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3is9 n ASP 192 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3is9 n LEU 193 N -1.23 0.00 -4.31 0.64 4.77 -1.26 -4.94 117.00 110.68 3is9 n LEU 193 Ca 0.16 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 3is9 n LEU 193 Cb 0.67 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.63 3is9 n LEU 193 CO -0.01 0.00 -0.53 -1.83 -1.33 0.00 0.00 177.39 173.69 3is9 s GLU 194 N 0.71 1.29 0.13 3.23 1.03 -1.26 -4.89 118.70 118.94 3is9 s GLU 194 Ca 0.00 -1.15 -0.04 0.00 0.03 0.00 0.00 54.97 53.80 3is9 s GLU 194 Cb 0.00 -1.57 0.21 0.00 -0.80 0.00 0.00 34.13 31.97 3is9 s GLU 194 CO 0.00 0.38 0.74 1.51 -1.33 0.00 0.00 175.26 176.56 3is9 n ILE 195 N 1.26 -0.21 0.22 1.83 0.13 -1.26 0.03 119.36 121.36 3is9 n ILE 195 Ca -0.18 1.10 -0.17 0.00 -1.10 0.00 0.00 62.75 62.40 3is9 n ILE 195 Cb 0.53 -1.51 -0.09 0.00 -0.84 0.00 0.00 39.64 37.73 3is9 n ILE 195 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3is9 h GLY 196 N 0.00 -1.06 0.30 4.50 0.00 -1.99 0.21 103.07 105.03 3is9 h GLY 196 Ca 0.22 0.54 0.00 0.00 0.00 0.00 0.00 47.33 48.09 3is9 h GLY 196 CO -0.49 -0.32 -0.10 0.61 0.00 0.00 0.00 176.54 176.24 3is9 n GLN 197 N -5.52 1.08 -0.05 4.80 10.64 0.26 -3.13 117.38 125.47 3is9 n GLN 197 Ca -0.10 -0.51 -0.04 0.00 -1.83 0.00 0.00 57.00 54.52 3is9 n GLN 197 Cb 0.42 -1.49 -0.14 0.00 -0.86 0.00 0.00 30.24 28.17 3is9 n GLN 197 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 3is9 n HIS 198 N -0.51 0.31 0.01 2.61 -0.00 0.10 -3.52 115.22 114.22 3is9 n HIS 198 Ca 0.17 0.11 -0.11 0.00 0.46 0.00 0.00 57.72 58.34 3is9 n HIS 198 Cb 0.30 -0.95 -0.08 0.00 -0.12 0.00 0.00 29.99 29.14 3is9 n HIS 198 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 3is9 h ARG 199 N 0.00 -0.13 -0.05 1.57 2.43 -0.61 -3.27 114.38 114.32 3is9 h ARG 199 Ca -0.35 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.73 3is9 h ARG 199 Cb 1.88 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 3is9 h ARG 199 CO 0.03 0.38 -0.43 1.15 -1.51 0.00 0.00 179.97 179.60 3is9 h THR 200 N -0.87 1.31 0.00 0.20 2.02 -1.76 -2.83 112.91 110.99 3is9 h THR 200 Ca -0.01 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.65 3is9 h THR 200 Cb 0.57 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3is9 h THR 200 CO 0.02 0.44 -0.03 0.11 0.37 0.00 0.00 175.52 176.44 3is9 h LYS 201 N 0.09 0.00 -0.37 6.66 1.79 -1.66 -1.12 116.57 121.96 3is9 h LYS 201 Ca 0.01 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.34 3is9 h LYS 201 Cb 0.79 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 3is9 h LYS 201 CO 0.06 0.03 -0.33 0.82 -1.08 0.00 0.00 179.45 178.95 3is9 h ILE 202 N 0.00 1.28 -0.92 1.86 1.08 -1.54 -2.66 117.51 116.60 3is9 h ILE 202 Ca -0.00 -1.49 0.13 0.00 -0.39 0.00 0.00 64.86 63.11 3is9 h ILE 202 Cb 0.06 1.34 -0.07 0.00 -3.07 0.00 0.00 36.82 35.08 3is9 h ILE 202 CO 0.00 0.49 0.59 -0.08 -0.69 0.00 0.00 178.15 178.46 3is9 h GLU 203 N 0.68 0.79 -0.81 2.37 4.57 -1.29 0.23 114.58 121.13 3is9 h GLU 203 Ca 0.07 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3is9 h GLU 203 Cb 0.88 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 3is9 h GLU 203 CO 0.08 0.52 0.48 1.49 -1.18 0.00 0.00 179.01 180.40 3is9 h GLU 204 N 0.81 1.10 0.00 1.92 4.81 -1.40 -0.43 114.58 121.39 3is9 h GLU 204 Ca 0.46 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3is9 h GLU 204 Cb 0.60 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3is9 h GLU 204 CO -0.22 0.78 0.00 1.25 -0.73 0.00 0.00 179.01 180.09 3is9 h LEU 205 N 1.11 0.00 0.02 1.64 5.85 -0.59 -2.41 115.31 120.92 3is9 h LEU 205 Ca 0.29 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 3is9 h LEU 205 Cb -0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3is9 h LEU 205 CO -0.05 0.00 -0.01 -0.09 -0.34 0.00 0.00 178.44 177.95 3is9 h ARG 206 N 0.00 -0.03 -0.29 1.25 2.43 0.84 -2.94 114.38 115.64 3is9 h ARG 206 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3is9 h ARG 206 Cb 0.65 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3is9 h ARG 206 CO 0.00 0.73 -0.10 0.37 -1.51 0.00 0.00 179.97 179.45 3is9 h GLN 207 N -0.89 0.58 -0.40 0.20 5.75 -1.33 -0.69 115.11 118.34 3is9 h GLN 207 Ca -0.00 -0.24 0.08 0.00 -0.15 0.00 0.00 58.65 58.34 3is9 h GLN 207 Cb 0.76 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.20 3is9 h GLN 207 CO 0.00 0.80 -0.25 1.25 -2.65 0.00 0.00 178.83 177.98 3is9 h HIS 208 N 0.34 -0.67 0.00 3.99 2.76 -1.57 0.78 115.15 120.78 3is9 h HIS 208 Ca 0.07 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3is9 h HIS 208 Cb 0.60 0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.91 3is9 h HIS 208 CO 0.06 -0.33 -0.15 -0.07 -1.30 0.00 0.00 177.93 176.13 3is9 h LEU 209 N -0.18 0.00 -0.17 0.26 3.38 -1.42 -1.50 115.31 115.68 3is9 h LEU 209 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3is9 h LEU 209 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3is9 h LEU 209 CO -0.51 0.15 0.00 -0.11 0.09 0.00 0.00 178.44 178.06 3is9 n LEU 210 N -3.65 0.70 -0.49 1.67 0.00 0.24 -3.10 117.00 112.37 3is9 n LEU 210 Ca -0.02 0.59 0.12 0.00 0.00 0.00 0.00 56.01 56.71 3is9 n LEU 210 Cb 0.28 -0.40 0.18 0.00 0.00 0.00 0.00 43.42 43.48 3is9 n LEU 210 CO 0.31 -0.26 0.51 -2.11 0.00 0.00 0.00 177.39 175.84 3is9 n ARG 211 N -2.18 1.30 -1.99 1.96 1.85 0.62 -4.00 116.66 114.22 3is9 n ARG 211 Ca 0.05 -0.98 -0.39 0.00 -1.00 0.00 0.00 57.85 55.53 3is9 n ARG 211 Cb 0.37 -1.48 0.04 0.00 -1.05 0.00 0.00 32.46 30.34 3is9 n ARG 211 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 3is9 n TRP 212 N 0.01 3.01 -0.86 2.89 7.02 -1.18 -4.77 117.44 123.56 3is9 n TRP 212 Ca 0.12 -2.40 0.00 0.00 -1.02 0.00 0.00 57.50 54.20 3is9 n TRP 212 Cb 0.44 -1.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.24 3is9 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3is9 n GLY 213 N -0.52 1.02 3.98 6.99 0.00 -1.26 -4.88 105.19 110.52 3is9 n GLY 213 Ca 0.52 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 3is9 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3is9 s LEU 214 N 0.00 3.29 0.00 0.99 1.43 -1.25 -4.40 118.68 118.74 3is9 s LEU 214 Ca 0.00 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3is9 s LEU 214 Cb 0.00 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.39 3is9 s LEU 214 CO 0.00 -1.13 0.00 0.49 0.23 0.00 0.00 176.35 175.94 3is9 n PHE 227 N -2.32 0.00 -0.28 0.29 3.01 -1.26 -4.78 117.46 112.12 3is9 n PHE 227 Ca 0.08 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.73 3is9 n PHE 227 Cb 0.60 -0.01 0.35 0.00 -0.01 0.00 0.00 39.48 40.41 3is9 n PHE 227 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3is9 n LEU 228 N 0.15 0.07 -4.32 4.37 4.77 -1.26 -3.79 117.00 116.99 3is9 n LEU 228 Ca 0.00 1.40 -0.47 0.00 -0.03 0.00 0.00 56.01 56.92 3is9 n LEU 228 Cb 0.00 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 3is9 n LEU 228 CO 0.00 -1.48 0.42 -1.66 -1.33 0.00 0.00 177.39 173.33 3is9 s TRP 229 N -5.56 3.76 -0.20 -1.77 1.48 -1.26 -4.56 118.94 110.83 3is9 s TRP 229 Ca -0.09 -2.04 -0.16 0.00 -1.06 0.00 0.00 56.10 52.75 3is9 s TRP 229 Cb 0.26 -3.79 0.06 0.00 -1.16 0.00 0.00 33.47 28.83 3is9 s TRP 229 CO 0.65 -0.98 0.52 -1.64 -4.06 0.00 0.00 176.95 171.43 3is9 s MET 230 N 0.12 0.58 -0.11 3.25 -1.94 -1.25 -5.00 119.30 114.95 3is9 s MET 230 Ca 0.18 0.79 -0.04 0.00 -1.71 0.00 0.00 55.69 54.90 3is9 s MET 230 Cb -0.10 0.22 0.06 0.00 2.01 0.00 0.00 34.83 37.02 3is9 s MET 230 CO -0.09 -0.10 0.23 0.20 -0.01 0.00 0.00 175.02 175.26 3is9 s GLY 231 N 0.61 -0.07 -0.17 -0.03 0.00 -1.26 -3.73 107.32 102.67 3is9 s GLY 231 Ca -0.03 0.83 -0.15 0.00 0.00 0.00 0.00 44.72 45.37 3is9 s GLY 231 CO -0.04 1.83 0.34 -0.47 0.00 0.00 0.00 173.10 174.76 3is9 s TYR 232 N 2.30 3.44 0.34 1.90 5.04 -1.12 -4.88 117.35 124.37 3is9 s TYR 232 Ca 0.01 0.63 -0.22 0.00 -2.44 0.00 0.00 57.07 55.04 3is9 s TYR 232 Cb -0.12 -2.41 -0.10 0.00 0.35 0.00 0.00 41.96 39.68 3is9 s TYR 232 CO -0.08 0.16 0.89 -1.21 -1.34 0.00 0.00 175.55 173.97 3is9 s GLU 233 N 0.72 4.36 0.00 4.97 2.02 -1.26 -2.03 118.70 127.48 3is9 s GLU 233 Ca 0.18 1.12 -0.13 0.00 0.02 0.00 0.00 54.97 56.16 3is9 s GLU 233 Cb -0.14 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.53 3is9 s GLU 233 CO 0.06 0.19 0.26 -0.51 0.02 0.00 0.00 175.26 175.28 3is9 s LEU 234 N -2.50 1.04 -0.33 1.80 1.43 -0.09 -4.99 118.68 115.04 3is9 s LEU 234 Ca 0.53 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 3is9 s LEU 234 Cb -0.14 1.13 0.19 0.00 0.03 0.00 0.00 46.19 47.40 3is9 s LEU 234 CO 0.19 -0.47 0.62 -1.00 0.23 0.00 0.00 176.35 175.93 3is9 s HIS 235 N -1.62 -1.77 0.33 0.29 3.76 -1.26 -0.51 115.29 114.51 3is9 s HIS 235 Ca -0.12 0.77 -0.26 0.00 -0.15 0.00 0.00 55.06 55.30 3is9 s HIS 235 Cb -0.05 0.31 -0.10 0.00 1.11 0.00 0.00 32.58 33.86 3is9 s HIS 235 CO 0.02 -1.09 0.97 -2.14 -0.85 0.00 0.00 174.74 171.66 3is9 s PRO 236 N 2.49 4.54 0.00 8.40 0.02 -1.26 -5.05 135.00 144.14 3is9 s PRO 236 Ca 0.13 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.56 3is9 s PRO 236 Cb -0.08 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.62 3is9 s PRO 236 CO -0.19 0.22 0.00 -0.40 -0.33 0.00 0.00 177.00 176.30 3is9 n ASP 237 N 0.58 1.80 -4.20 2.53 3.85 -1.26 -4.94 116.55 114.92 3is9 n ASP 237 Ca 0.02 -0.30 -0.29 0.00 -0.71 0.00 0.00 54.79 53.50 3is9 n ASP 237 Cb 0.49 0.00 0.22 0.00 -1.35 0.00 0.00 41.12 40.48 3is9 n ASP 237 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3is9 s LYS 238 N 0.23 -0.67 -0.81 0.11 2.20 -1.26 -4.54 119.74 115.00 3is9 s LYS 238 Ca 0.00 0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.82 3is9 s LYS 238 Cb 0.00 -1.63 -0.00 0.00 -1.51 0.00 0.00 37.83 34.69 3is9 s LYS 238 CO 0.00 -3.41 0.66 0.91 -0.36 0.00 0.00 175.35 173.15 3is9 n TRP 239 N -4.60 -2.45 -0.32 4.03 7.02 -1.26 -4.78 117.44 115.09 3is9 n TRP 239 Ca 0.09 0.95 0.20 0.00 -1.02 0.00 0.00 57.50 57.72 3is9 n TRP 239 Cb 0.58 -3.39 0.41 0.00 -2.42 0.00 0.00 31.31 26.49 3is9 n TRP 239 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3is9 h THR 240 N -0.06 0.29 -3.80 -0.99 1.03 -1.90 -3.16 112.91 104.33 3is9 h THR 240 Ca -0.36 -0.09 -0.66 0.00 -0.01 0.00 0.00 66.41 65.29 3is9 h THR 240 Cb 1.22 -0.01 -0.38 0.00 -1.07 0.00 0.00 68.15 67.92 3is9 h THR 240 CO 0.35 0.05 -0.78 -0.69 -0.01 0.00 0.00 175.52 174.43 3is9 s VAL 241 N -5.76 2.11 0.38 0.00 1.01 -1.26 -0.71 120.40 116.17 3is9 s VAL 241 Ca -0.11 -1.74 -0.28 0.00 0.00 0.00 0.00 61.98 59.85 3is9 s VAL 241 Cb 0.29 -2.31 -0.11 0.00 0.00 0.00 0.00 36.38 34.25 3is9 s VAL 241 CO 0.78 -0.17 1.48 -1.10 0.00 0.00 0.00 175.10 176.10 3is9 s GLN 242 N 1.10 4.08 0.60 2.72 -1.52 -1.19 -4.91 119.66 120.52 3is9 s GLN 242 Ca -0.04 2.56 -0.18 0.00 -1.95 0.00 0.00 55.36 55.75 3is9 s GLN 242 Cb -0.20 -2.94 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 3is9 s GLN 242 CO -0.06 -0.56 1.16 -1.25 -0.25 0.00 0.00 175.29 174.34 3is9 s PRO 243 N -2.12 3.00 -0.08 2.91 0.04 -1.26 -5.01 135.00 132.48 3is9 s PRO 243 Ca 0.53 1.67 -0.18 0.00 0.04 0.00 0.00 61.00 63.07 3is9 s PRO 243 Cb -0.46 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3is9 s PRO 243 CO 0.63 -1.15 0.48 0.42 0.04 0.00 0.00 177.00 177.42 3is9 s ILE 244 N -1.81 5.12 0.01 0.56 -1.09 -1.26 -5.07 121.20 117.66 3is9 s ILE 244 Ca 0.74 0.97 0.07 0.00 -2.23 0.00 0.00 60.65 60.20 3is9 s ILE 244 Cb -0.26 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 3is9 s ILE 244 CO 0.33 0.38 -0.23 0.68 -1.23 0.00 0.00 174.94 174.88 3is9 s VAL 245 N 0.22 1.82 0.07 2.92 -7.23 -1.26 -4.84 120.40 112.09 3is9 s VAL 245 Ca 0.26 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 3is9 s VAL 245 Cb -0.16 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 3is9 s VAL 245 CO 0.12 0.40 0.17 -0.76 -0.31 0.00 0.00 175.10 174.71 3is9 s LEU 246 N -0.83 4.17 0.79 1.32 1.43 -1.26 -5.09 118.68 119.21 3is9 s LEU 246 Ca 0.09 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 3is9 s LEU 246 Cb -0.09 -2.79 0.07 0.00 0.03 0.00 0.00 46.19 43.41 3is9 s LEU 246 CO 0.00 0.17 1.12 -2.84 0.23 0.00 0.00 176.35 175.04 3is9 s PRO 247 N -2.46 2.00 -0.24 1.29 0.02 -1.26 -5.02 135.00 129.33 3is9 s PRO 247 Ca 0.33 1.39 0.01 0.00 0.02 0.00 0.00 61.00 62.74 3is9 s PRO 247 Cb -0.13 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.61 3is9 s PRO 247 CO 0.26 -1.87 -0.04 -2.00 -0.33 0.00 0.00 177.00 173.02 3is9 s GLU 248 N -4.57 1.54 0.25 5.54 2.12 -1.26 -5.12 118.70 117.20 3is9 s GLU 248 Ca 0.65 -1.02 0.05 0.00 0.36 0.00 0.00 54.97 55.02 3is9 s GLU 248 Cb -0.21 -2.57 -0.05 0.00 0.26 0.00 0.00 34.13 31.55 3is9 s GLU 248 CO 0.53 -0.64 -0.04 0.15 -0.54 0.00 0.00 175.26 174.71 3is9 s LYS 249 N 1.40 1.43 -0.07 4.30 1.02 -1.26 -5.04 119.74 121.52 3is9 s LYS 249 Ca -0.04 -1.72 0.19 0.00 0.02 0.00 0.00 55.97 54.42 3is9 s LYS 249 Cb -0.19 -0.93 -0.24 0.00 -0.52 0.00 0.00 37.83 35.96 3is9 s LYS 249 CO -0.07 -0.00 0.43 -0.25 -0.92 0.00 0.00 175.35 174.53 3is9 n ASP 250 N -0.49 0.28 -3.73 2.83 8.00 -1.26 -4.88 116.55 117.30 3is9 n ASP 250 Ca -0.06 0.12 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 3is9 n ASP 250 Cb 0.63 1.00 -0.17 0.00 -0.02 0.00 0.00 41.12 42.56 3is9 n ASP 250 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3is9 s SER 251 N -5.31 0.82 -0.10 -2.24 1.04 -1.26 -5.01 113.70 101.64 3is9 s SER 251 Ca -0.07 0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.36 3is9 s SER 251 Cb 0.09 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3is9 s SER 251 CO 0.85 -0.19 0.04 0.26 0.98 0.00 0.00 173.24 175.17 3is9 s TRP 252 N 1.70 3.27 0.38 5.02 0.52 -1.26 -5.02 118.94 123.55 3is9 s TRP 252 Ca -0.01 0.25 0.03 0.00 0.02 0.00 0.00 56.10 56.40 3is9 s TRP 252 Cb -0.13 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.34 3is9 s TRP 252 CO -0.03 0.50 0.56 0.95 0.02 0.00 0.00 176.95 178.95 3is9 s THR 253 N -0.81 4.18 0.28 2.01 -4.23 -1.26 -0.19 115.64 115.62 3is9 s THR 253 Ca 0.13 -0.74 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3is9 s THR 253 Cb -0.12 -3.50 0.28 0.00 1.34 0.00 0.00 72.50 70.50 3is9 s THR 253 CO 0.03 -0.27 1.87 0.58 -0.54 0.00 0.00 174.62 176.28 3is9 h VAL 254 N 0.68 1.02 -0.75 2.29 2.07 -0.99 0.42 116.25 120.98 3is9 h VAL 254 Ca -0.47 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 3is9 h VAL 254 Cb 1.25 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3is9 h VAL 254 CO 0.56 0.20 0.23 -1.13 0.02 0.00 0.00 177.57 177.45 3is9 h ASN 255 N 1.08 1.10 -0.35 0.57 -0.73 -1.35 0.47 115.58 116.37 3is9 h ASN 255 Ca 0.45 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.40 3is9 h ASN 255 Cb 0.30 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 38.59 3is9 h ASN 255 CO -0.20 1.02 0.17 0.44 -0.37 0.00 0.00 177.43 178.48 3is9 h ASP 256 N 1.12 0.45 -0.15 1.15 3.32 -1.27 -1.75 116.42 119.29 3is9 h ASP 256 Ca 0.24 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3is9 h ASP 256 Cb 0.31 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3is9 h ASP 256 CO -0.01 0.45 -0.09 0.40 -1.72 0.00 0.00 179.24 178.27 3is9 h ILE 257 N 0.43 1.22 -0.34 0.35 1.08 -0.81 -1.66 117.51 117.77 3is9 h ILE 257 Ca 0.12 -0.94 -0.03 0.00 -0.39 0.00 0.00 64.86 63.62 3is9 h ILE 257 Cb 0.11 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3is9 h ILE 257 CO -0.02 0.31 0.09 1.56 -0.69 0.00 0.00 178.15 179.41 3is9 h GLN 258 N 0.45 0.53 -0.30 2.37 4.20 -0.58 0.06 115.11 121.85 3is9 h GLN 258 Ca 0.09 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3is9 h GLN 258 Cb 0.44 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3is9 h GLN 258 CO 0.02 0.57 0.03 0.87 -0.67 0.00 0.00 178.83 179.66 3is9 h LYS 259 N 0.39 0.51 -0.42 1.46 1.57 -1.15 -0.74 116.57 118.18 3is9 h LYS 259 Ca 0.11 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3is9 h LYS 259 Cb 0.27 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 3is9 h LYS 259 CO -0.00 0.62 0.09 1.25 -0.57 0.00 0.00 179.45 180.84 3is9 h LEU 260 N 0.32 0.02 -1.07 2.94 5.85 -1.23 0.27 115.31 122.41 3is9 h LEU 260 Ca 0.09 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3is9 h LEU 260 Cb 0.37 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3is9 h LEU 260 CO 0.01 0.05 0.41 0.58 -0.34 0.00 0.00 178.44 179.15 3is9 h VAL 261 N 0.22 1.23 -0.48 1.05 2.07 -0.76 -0.46 116.25 119.13 3is9 h VAL 261 Ca 0.21 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3is9 h VAL 261 Cb 0.25 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3is9 h VAL 261 CO -0.26 0.26 0.23 1.23 0.02 0.00 0.00 177.57 179.04 3is9 h GLY 262 N 1.11 0.74 0.88 2.17 0.00 0.53 -1.00 103.07 107.50 3is9 h GLY 262 Ca 0.27 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3is9 h GLY 262 CO -0.04 0.35 0.01 1.70 0.00 0.00 0.00 176.54 178.56 3is9 h LYS 263 N 0.63 0.51 -0.35 4.80 3.64 0.01 -2.10 116.57 123.70 3is9 h LYS 263 Ca 0.17 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3is9 h LYS 263 Cb 0.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3is9 h LYS 263 CO -0.02 0.64 0.19 -0.07 -2.27 0.00 0.00 179.45 177.92 3is9 h LEU 264 N 0.30 0.44 -0.83 5.20 3.38 -1.00 0.25 115.31 123.06 3is9 h LEU 264 Ca 0.08 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3is9 h LEU 264 Cb 0.41 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 3is9 h LEU 264 CO 0.01 0.41 0.47 -1.13 0.09 0.00 0.00 178.44 178.28 3is9 h ASN 265 N 0.45 0.65 -0.27 -0.43 -1.24 -1.13 0.46 115.58 114.08 3is9 h ASN 265 Ca 0.12 0.05 -0.07 0.00 0.71 0.00 0.00 56.30 57.11 3is9 h ASN 265 Cb 0.06 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3is9 h ASN 265 CO -0.02 0.36 -0.12 -0.25 -1.29 0.00 0.00 177.43 176.11 3is9 h TRP 266 N 0.77 0.64 0.00 0.67 7.01 -0.75 -2.99 115.95 121.30 3is9 h TRP 266 Ca 0.41 -0.16 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 3is9 h TRP 266 Cb 0.41 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 3is9 h TRP 266 CO -0.06 0.80 -0.12 0.00 -2.79 0.00 0.00 178.44 176.26 3is9 h ALA 267 N 0.74 1.72 0.00 2.65 0.00 0.49 -2.54 119.26 122.31 3is9 h ALA 267 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3is9 h ALA 267 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3is9 h ALA 267 CO 0.04 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 3is9 n SER 268 N -4.28 0.42 0.12 0.00 3.41 0.06 -0.35 113.62 113.01 3is9 n SER 268 Ca -0.03 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 3is9 n SER 268 Cb 0.20 -0.72 0.40 0.00 -0.26 0.00 0.00 64.21 63.82 3is9 n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3is9 h GLN 269 N 0.00 0.00 0.00 4.33 4.20 -1.58 -3.25 115.11 118.82 3is9 h GLN 269 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 3is9 h GLN 269 Cb 0.16 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 3is9 h GLN 269 CO 0.00 0.00 -2.16 -0.89 -0.67 0.00 0.00 178.83 175.11 3is9 n ILE 270 N -2.36 1.17 -3.98 2.54 5.41 0.53 -4.86 119.36 117.81 3is9 n ILE 270 Ca 0.05 -0.46 -0.31 0.00 1.00 0.00 0.00 62.75 63.03 3is9 n ILE 270 Cb 0.41 -1.19 -0.15 0.00 -0.71 0.00 0.00 39.64 38.00 3is9 n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3is9 s TYR 271 N -2.41 3.19 0.36 1.39 1.51 0.44 -4.76 117.35 117.08 3is9 s TYR 271 Ca -0.27 -2.53 0.06 0.00 -1.01 0.00 0.00 57.07 53.33 3is9 s TYR 271 Cb 0.07 -2.39 0.75 0.00 -0.11 0.00 0.00 41.96 40.28 3is9 s TYR 271 CO 0.48 -0.90 1.93 -1.35 -1.11 0.00 0.00 175.55 174.60 3is9 h PRO 272 N 7.76 0.74 0.00 -1.71 0.11 -1.85 -2.95 132.00 134.10 3is9 h PRO 272 Ca -0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3is9 h PRO 272 Cb 1.03 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3is9 h PRO 272 CO 0.49 0.49 0.00 0.41 -0.21 0.00 0.00 178.00 179.18 3is9 n GLY 273 N -1.44 -0.72 3.73 -0.55 0.00 -1.26 -4.79 105.19 100.15 3is9 n GLY 273 Ca 0.13 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3is9 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3is9 s ILE 274 N -3.16 2.34 0.03 -0.61 -1.09 -1.11 -4.98 121.20 112.62 3is9 s ILE 274 Ca 0.01 0.25 0.09 0.00 -2.23 0.00 0.00 60.65 58.77 3is9 s ILE 274 Cb 0.04 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 3is9 s ILE 274 CO 0.12 0.02 -0.25 -0.54 -1.23 0.00 0.00 174.94 173.06 3is9 s LYS 275 N 0.80 1.91 -0.04 2.79 -0.14 -1.26 -4.93 119.74 118.87 3is9 s LYS 275 Ca 0.70 -1.05 0.07 0.00 -1.36 0.00 0.00 55.97 54.33 3is9 s LYS 275 Cb -0.46 -2.03 0.11 0.00 -1.68 0.00 0.00 37.83 33.77 3is9 s LYS 275 CO 0.35 0.53 1.06 1.33 -0.76 0.00 0.00 175.35 177.85 3is9 n VAL 276 N 1.88 0.59 0.11 3.17 0.24 -1.26 -4.88 118.33 118.18 3is9 n VAL 276 Ca -0.17 -0.76 -0.11 0.00 -2.04 0.00 0.00 64.34 61.26 3is9 n VAL 276 Cb 0.52 0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 33.11 3is9 n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3is9 h ARG 277 N 0.06 -0.32 0.00 7.34 2.43 -1.99 -0.90 114.38 121.00 3is9 h ARG 277 Ca -0.01 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3is9 h ARG 277 Cb 1.30 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3is9 h ARG 277 CO 0.00 0.03 -0.00 1.96 -1.51 0.00 0.00 179.97 180.45 3is9 h GLN 278 N -0.91 0.00 0.13 0.20 1.08 -1.91 -0.97 115.11 112.73 3is9 h GLN 278 Ca -0.03 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.82 3is9 h GLN 278 Cb 0.50 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 3is9 h GLN 278 CO 0.06 0.00 -1.83 -0.07 -0.95 0.00 0.00 178.83 176.04 3is9 h LEU 279 N 0.00 0.43 -1.47 1.46 3.38 -1.86 -3.34 115.31 113.91 3is9 h LEU 279 Ca -0.00 -0.91 0.04 0.00 0.09 0.00 0.00 57.88 57.10 3is9 h LEU 279 Cb 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3is9 h LEU 279 CO 0.00 1.79 0.39 0.28 0.09 0.00 0.00 178.44 181.00 3is9 h SER 280 N -0.04 0.59 -1.00 -0.43 0.02 -0.40 -2.03 113.55 110.26 3is9 h SER 280 Ca -0.39 -0.01 0.15 0.00 -0.84 0.00 0.00 61.79 60.71 3is9 h SER 280 Cb 1.97 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 64.28 3is9 h SER 280 CO 0.08 0.40 0.62 0.11 -1.14 0.00 0.00 176.83 176.91 3is9 h LYS 281 N 0.68 0.85 0.00 3.45 1.79 -1.32 0.64 116.57 122.66 3is9 h LYS 281 Ca 0.24 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.63 3is9 h LYS 281 Cb 0.11 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3is9 h LYS 281 CO -0.07 0.56 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.67 3is9 h LEU 282 N 0.88 0.00 -0.03 2.94 3.38 -1.51 -2.48 115.31 118.48 3is9 h LEU 282 Ca 0.54 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.26 3is9 h LEU 282 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3is9 h LEU 282 CO -0.32 0.13 -1.09 -0.07 0.09 0.00 0.00 178.44 177.18 3is9 h LEU 283 N 0.00 0.47 -8.82 1.67 3.38 0.23 -3.45 115.31 108.80 3is9 h LEU 283 Ca -0.00 -0.44 -0.77 0.00 0.09 0.00 0.00 57.88 56.76 3is9 h LEU 283 Cb 0.34 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3is9 h LEU 283 CO 0.02 1.28 1.01 -2.11 0.09 0.00 0.00 178.44 178.72 3is9 n ARG 284 N -3.64 0.66 0.00 1.13 1.85 -0.67 -4.56 116.66 111.44 3is9 n ARG 284 Ca -0.08 0.23 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 3is9 n ARG 284 Cb 0.93 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 3is9 n ARG 284 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3is9 n GLY 285 N 5.10 3.61 3.45 2.89 0.00 -1.26 -4.98 105.19 113.99 3is9 n GLY 285 Ca 0.35 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 44.41 3is9 n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3is9 s THR 286 N -1.10 4.81 0.32 2.61 -4.23 -1.26 -5.00 115.64 111.79 3is9 s THR 286 Ca 0.00 -1.77 0.07 0.00 -1.18 0.00 0.00 61.69 58.81 3is9 s THR 286 Cb 0.00 -4.78 -0.02 0.00 1.34 0.00 0.00 72.50 69.04 3is9 s THR 286 CO 0.00 -1.50 0.38 -0.54 -0.54 0.00 0.00 174.62 172.42 3is9 s LYS 287 N 2.41 2.99 0.31 3.99 1.02 -1.26 -5.08 119.74 124.12 3is9 s LYS 287 Ca 0.33 -1.09 -0.29 0.00 0.02 0.00 0.00 55.97 54.94 3is9 s LYS 287 Cb -0.05 -2.69 -0.10 0.00 -0.52 0.00 0.00 37.83 34.47 3is9 s LYS 287 CO -0.08 0.13 1.34 0.00 -0.92 0.00 0.00 175.35 175.82 3is9 s ALA 288 N -2.20 3.53 0.48 5.17 0.00 -1.26 -4.92 121.76 122.56 3is9 s ALA 288 Ca 0.42 1.28 0.16 0.00 0.00 0.00 0.00 51.96 53.82 3is9 s ALA 288 Cb -0.08 -3.50 1.17 0.00 0.00 0.00 0.00 23.12 20.70 3is9 s ALA 288 CO 0.29 -0.67 2.04 -0.07 0.00 0.00 0.00 175.76 177.34 3is9 h LEU 289 N 3.84 0.19 -2.65 0.00 3.38 -1.98 -2.19 115.31 115.90 3is9 h LEU 289 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3is9 h LEU 289 Cb 1.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3is9 h LEU 289 CO 0.69 0.12 0.00 0.35 0.09 0.00 0.00 178.44 179.69 3is9 n THR 290 N -4.47 1.48 -2.97 0.22 -2.24 -1.26 -1.01 114.28 104.03 3is9 n THR 290 Ca 0.06 -0.97 -0.38 0.00 -2.27 0.00 0.00 64.05 60.49 3is9 n THR 290 Cb 0.32 0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 3is9 n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3is9 s GLU 291 N -1.75 4.47 -0.05 -0.78 2.12 -0.83 -4.85 118.70 117.04 3is9 s GLU 291 Ca 0.43 1.10 -0.26 0.00 0.36 0.00 0.00 54.97 56.61 3is9 s GLU 291 Cb 0.27 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 3is9 s GLU 291 CO 0.21 0.44 0.79 0.08 -0.54 0.00 0.00 175.26 176.25 3is9 s VAL 292 N -1.39 4.99 -0.10 3.70 1.01 -1.26 -0.86 120.40 126.48 3is9 s VAL 292 Ca 0.42 1.65 0.01 0.00 0.00 0.00 0.00 61.98 64.06 3is9 s VAL 292 Cb -0.20 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 3is9 s VAL 292 CO 0.24 0.22 -0.13 -0.63 0.00 0.00 0.00 175.10 174.80 3is9 s ILE 293 N 0.90 3.14 0.11 2.22 1.01 0.74 -4.94 121.20 124.38 3is9 s ILE 293 Ca 0.42 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 60.18 3is9 s ILE 293 Cb -0.19 -2.29 -0.07 0.00 0.01 0.00 0.00 42.46 39.92 3is9 s ILE 293 CO 0.21 0.55 0.74 -2.84 0.00 0.00 0.00 174.94 173.60 3is9 s PRO 294 N -0.07 4.48 -0.00 2.79 0.02 -1.26 -3.99 135.00 136.97 3is9 s PRO 294 Ca -0.02 1.05 -0.30 0.00 0.02 0.00 0.00 61.00 61.75 3is9 s PRO 294 Cb -0.14 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.05 3is9 s PRO 294 CO 0.04 0.49 1.14 -0.51 -0.33 0.00 0.00 177.00 177.83 3is9 s LEU 295 N -0.77 4.33 0.70 -5.54 1.43 -1.26 -5.02 118.68 112.55 3is9 s LEU 295 Ca 0.35 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 3is9 s LEU 295 Cb -0.22 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.45 3is9 s LEU 295 CO 0.24 -0.47 1.06 0.42 0.23 0.00 0.00 176.35 177.83 3is9 s THR 296 N 1.52 3.99 0.16 5.49 -4.23 -1.26 -4.82 115.64 116.49 3is9 s THR 296 Ca 0.56 0.65 -0.27 0.00 -1.18 0.00 0.00 61.69 61.45 3is9 s THR 296 Cb -0.25 -3.38 0.01 0.00 1.34 0.00 0.00 72.50 70.22 3is9 s THR 296 CO 0.26 -0.85 1.57 -0.33 -0.54 0.00 0.00 174.62 174.73 3is9 h GLU 297 N -0.74 -0.27 -0.26 3.99 4.39 -2.00 -1.44 114.58 118.26 3is9 h GLU 297 Ca -0.44 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.32 3is9 h GLU 297 Cb 1.21 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 3is9 h GLU 297 CO 0.57 -0.18 0.02 0.93 -1.16 0.00 0.00 179.01 179.18 3is9 h GLU 298 N -0.28 0.10 -0.26 2.33 3.07 -1.95 -3.07 114.58 114.52 3is9 h GLU 298 Ca 0.15 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.06 3is9 h GLU 298 Cb 0.57 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.41 3is9 h GLU 298 CO -0.63 0.06 -0.05 0.00 -1.40 0.00 0.00 179.01 177.00 3is9 h ALA 299 N 1.21 0.19 0.00 3.43 0.00 -1.48 -2.24 119.26 120.37 3is9 h ALA 299 Ca 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3is9 h ALA 299 Cb 0.15 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3is9 h ALA 299 CO -0.19 -0.46 -0.07 0.93 0.00 0.00 0.00 179.25 179.47 3is9 h GLU 300 N 0.02 0.00 -0.03 0.00 5.08 -1.30 -1.53 114.58 116.83 3is9 h GLU 300 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3is9 h GLU 300 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3is9 h GLU 300 CO -0.25 0.07 -0.04 1.25 -1.00 0.00 0.00 179.01 179.03 3is9 h LEU 301 N 0.00 0.08 -0.52 1.33 5.85 -1.32 -1.31 115.31 119.42 3is9 h LEU 301 Ca -0.00 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.21 3is9 h LEU 301 Cb 0.19 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3is9 h LEU 301 CO 0.01 0.60 0.32 -0.08 -0.34 0.00 0.00 178.44 178.95 3is9 h GLU 302 N -0.43 0.62 0.00 1.25 4.81 -1.18 0.55 114.58 120.20 3is9 h GLU 302 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3is9 h GLU 302 Cb 0.58 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3is9 h GLU 302 CO 0.01 0.41 -0.04 1.25 -0.73 0.00 0.00 179.01 179.91 3is9 h LEU 303 N 0.64 0.00 0.08 1.64 5.85 -1.29 0.28 115.31 122.51 3is9 h LEU 303 Ca 0.21 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 3is9 h LEU 303 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.05 3is9 h LEU 303 CO -0.09 0.04 -0.52 0.00 -0.34 0.00 0.00 178.44 177.53 3is9 h ALA 304 N 1.96 -0.04 -0.37 1.25 0.00 0.36 -2.68 119.26 119.74 3is9 h ALA 304 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3is9 h ALA 304 Cb 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3is9 h ALA 304 CO 0.01 0.24 0.19 0.93 0.00 0.00 0.00 179.25 180.61 3is9 h GLU 305 N -0.54 0.53 -0.34 0.00 5.08 0.72 -1.98 114.58 118.05 3is9 h GLU 305 Ca -0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3is9 h GLU 305 Cb 1.38 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 3is9 h GLU 305 CO 0.10 0.46 0.22 -0.91 -1.00 0.00 0.00 179.01 177.88 3is9 h ASN 306 N 0.46 0.39 -0.94 1.42 2.35 -0.60 -1.59 115.58 117.08 3is9 h ASN 306 Ca 0.13 -0.02 0.15 0.00 -0.55 0.00 0.00 56.30 56.01 3is9 h ASN 306 Cb 0.10 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 3is9 h ASN 306 CO -0.02 0.29 0.60 -0.09 -1.65 0.00 0.00 177.43 176.56 3is9 h ARG 307 N 0.46 0.72 -0.29 0.81 2.43 -1.19 -1.23 114.38 116.09 3is9 h ARG 307 Ca 0.12 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.08 3is9 h ARG 307 Cb -0.05 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3is9 h ARG 307 CO -0.03 0.48 -0.51 0.93 -1.51 0.00 0.00 179.97 179.33 3is9 h GLU 308 N 0.75 0.83 -0.80 0.20 4.39 -0.56 -3.08 114.58 116.31 3is9 h GLU 308 Ca 0.48 -0.50 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3is9 h GLU 308 Cb 0.74 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 3is9 h GLU 308 CO -0.24 1.14 0.46 0.82 -1.16 0.00 0.00 179.01 180.02 3is9 h ILE 309 N 0.64 1.23 0.00 3.13 1.08 -0.43 -2.49 117.51 120.67 3is9 h ILE 309 Ca 0.02 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3is9 h ILE 309 Cb 1.10 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3is9 h ILE 309 CO 0.11 0.25 0.00 -0.07 -0.69 0.00 0.00 178.15 177.75 3is9 h LEU 310 N 1.10 0.00 -0.10 1.44 3.38 -1.24 -3.14 115.31 116.75 3is9 h LEU 310 Ca 0.28 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 3is9 h LEU 310 Cb -0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.74 3is9 h LEU 310 CO -0.05 0.00 -0.46 0.11 0.09 0.00 0.00 178.44 178.13 3is9 h LYS 311 N 0.00 0.50 -7.32 1.13 1.57 -1.41 -3.40 116.57 107.64 3is9 h LYS 311 Ca 0.00 -0.40 -0.44 0.00 -1.87 0.00 0.00 60.65 57.94 3is9 h LYS 311 Cb 0.40 0.08 0.17 0.00 0.08 0.00 0.00 32.23 32.96 3is9 h LYS 311 CO 0.00 1.03 0.14 -1.21 -0.57 0.00 0.00 179.45 178.84 3is9 s GLU 312 N -3.70 -0.04 0.77 3.15 2.02 -1.19 -5.03 118.70 114.68 3is9 s GLU 312 Ca -0.13 0.52 -0.09 0.00 0.02 0.00 0.00 54.97 55.29 3is9 s GLU 312 Cb 0.05 -1.68 0.09 0.00 0.10 0.00 0.00 34.13 32.69 3is9 s GLU 312 CO 0.82 -3.05 1.10 -1.25 0.02 0.00 0.00 175.26 172.90 3is9 s PRO 313 N -4.88 1.86 0.58 0.39 0.04 -1.26 -5.05 135.00 126.69 3is9 s PRO 313 Ca 0.66 -0.27 -0.14 0.00 0.04 0.00 0.00 61.00 61.30 3is9 s PRO 313 Cb -0.20 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 3is9 s PRO 313 CO 0.59 -1.52 1.02 0.54 0.04 0.00 0.00 177.00 177.68 3is9 s VAL 314 N -3.41 4.33 -0.34 -0.36 0.11 -1.26 -4.93 120.40 114.54 3is9 s VAL 314 Ca 0.63 0.97 -0.28 0.00 -2.93 0.00 0.00 61.98 60.37 3is9 s VAL 314 Cb -0.09 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 3is9 s VAL 314 CO 0.47 -0.78 1.95 -2.28 -3.33 0.00 0.00 175.10 171.13 3is9 s HIS 315 N -2.78 1.59 -0.85 1.54 2.46 -1.26 -4.27 115.29 111.72 3is9 s HIS 315 Ca 0.59 0.69 -0.05 0.00 0.47 0.00 0.00 55.06 56.75 3is9 s HIS 315 Cb -0.12 -4.04 0.01 0.00 -0.13 0.00 0.00 32.58 28.30 3is9 s HIS 315 CO 0.42 -3.14 0.58 0.41 -2.47 0.00 0.00 174.74 170.54 3is9 n GLY 316 N 5.57 -1.19 3.77 1.59 0.00 -1.26 -4.94 105.19 108.73 3is9 n GLY 316 Ca 0.25 0.54 -0.36 0.00 0.00 0.00 0.00 46.02 46.45 3is9 n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3is9 s VAL 317 N -3.04 5.34 0.09 1.61 1.01 -1.26 -5.09 120.40 119.07 3is9 s VAL 317 Ca 0.07 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.49 3is9 s VAL 317 Cb -0.04 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3is9 s VAL 317 CO 0.87 0.47 -0.07 -0.72 0.00 0.00 0.00 175.10 175.64 3is9 s TYR 318 N -0.01 0.90 0.06 5.22 -0.85 -1.26 -5.09 117.35 116.32 3is9 s TYR 318 Ca 0.15 -0.84 -0.22 0.00 -0.52 0.00 0.00 57.07 55.64 3is9 s TYR 318 Cb -0.13 -0.51 -0.06 0.00 0.38 0.00 0.00 41.96 41.64 3is9 s TYR 318 CO 0.03 -0.12 0.66 -0.47 -1.52 0.00 0.00 175.55 174.13 3is9 s TYR 319 N -3.24 3.77 -0.31 -3.49 5.04 -1.26 -5.02 117.35 112.84 3is9 s TYR 319 Ca 0.09 1.36 0.03 0.00 -2.44 0.00 0.00 57.07 56.11 3is9 s TYR 319 Cb 0.03 -2.65 0.09 0.00 0.35 0.00 0.00 41.96 39.78 3is9 s TYR 319 CO -0.03 0.44 0.01 0.34 -1.34 0.00 0.00 175.55 174.97 3is9 s ASP 320 N -0.62 4.54 0.62 4.32 -1.08 -1.26 -4.99 116.67 118.19 3is9 s ASP 320 Ca 0.33 -1.86 0.27 0.00 -0.52 0.00 0.00 52.55 50.78 3is9 s ASP 320 Cb -0.20 -1.48 1.49 0.00 -1.46 0.00 0.00 42.92 41.27 3is9 s ASP 320 CO 0.21 -0.33 1.83 -0.65 0.52 0.00 0.00 175.17 176.74 3is9 h PRO 321 N 7.73 0.00 0.10 4.34 0.11 -2.01 -1.13 132.00 141.13 3is9 h PRO 321 Ca -0.09 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.76 3is9 h PRO 321 Cb 1.03 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.16 3is9 h PRO 321 CO 0.49 0.00 -1.06 0.66 -0.21 0.00 0.00 178.00 177.88 3is9 h SER 322 N 0.00 0.77 -4.08 -2.05 4.64 -2.04 -3.46 113.55 107.33 3is9 h SER 322 Ca 0.00 -0.82 -0.47 0.00 -0.47 0.00 0.00 61.79 60.02 3is9 h SER 322 Cb 0.67 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3is9 h SER 322 CO 0.00 1.51 0.32 -0.54 -0.87 0.00 0.00 176.83 177.25 3is9 s LYS 323 N -2.97 3.94 0.29 4.77 1.02 -0.43 -5.07 119.74 121.29 3is9 s LYS 323 Ca -0.11 0.87 -0.05 0.00 0.02 0.00 0.00 55.97 56.70 3is9 s LYS 323 Cb 0.05 -2.20 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 3is9 s LYS 323 CO 0.90 -0.20 0.56 0.16 -0.92 0.00 0.00 175.35 175.85 3is9 s ASP 324 N -3.00 6.45 -0.03 2.83 3.84 -1.26 -4.84 116.67 120.66 3is9 s ASP 324 Ca 0.58 0.73 -0.25 0.00 -0.00 0.00 0.00 52.55 53.60 3is9 s ASP 324 Cb -0.10 -2.15 -0.04 0.00 -1.38 0.00 0.00 42.92 39.25 3is9 s ASP 324 CO 0.30 -0.19 0.75 -0.76 -0.00 0.00 0.00 175.17 175.26 3is9 s LEU 325 N -3.53 4.36 -0.15 2.11 1.43 -1.26 -4.62 118.68 117.01 3is9 s LEU 325 Ca 0.44 1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 54.79 3is9 s LEU 325 Cb -0.11 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 3is9 s LEU 325 CO 0.30 -0.10 0.05 -0.63 0.23 0.00 0.00 176.35 176.20 3is9 s ILE 326 N 0.60 4.73 -0.19 -0.59 1.01 0.43 0.17 121.20 127.36 3is9 s ILE 326 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.98 3is9 s ILE 326 Cb -0.19 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.21 3is9 s ILE 326 CO 0.21 0.52 -0.17 0.00 0.00 0.00 0.00 174.94 175.50 3is9 s ALA 327 N -0.15 2.42 -0.09 9.38 0.00 0.23 -0.27 121.76 133.29 3is9 s ALA 327 Ca 0.07 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 3is9 s ALA 327 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 3is9 s ALA 327 CO 0.01 -0.38 -0.04 -1.21 0.00 0.00 0.00 175.76 174.15 3is9 s GLU 328 N 1.32 3.02 -0.04 0.00 2.02 0.27 -0.69 118.70 124.60 3is9 s GLU 328 Ca 0.05 -0.49 0.05 0.00 0.02 0.00 0.00 54.97 54.59 3is9 s GLU 328 Cb -0.13 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 3is9 s GLU 328 CO -0.11 0.59 -0.18 0.42 0.02 0.00 0.00 175.26 176.00 3is9 s ILE 329 N -0.60 1.52 -0.06 -1.63 1.01 -1.22 -1.28 121.20 118.94 3is9 s ILE 329 Ca 0.09 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.02 3is9 s ILE 329 Cb -0.12 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 3is9 s ILE 329 CO 0.02 0.44 -0.22 -1.10 0.00 0.00 0.00 174.94 174.08 3is9 s GLN 330 N -0.03 2.34 -0.33 2.79 1.11 0.21 -4.37 119.66 121.38 3is9 s GLN 330 Ca -0.03 -0.79 -0.28 0.00 0.01 0.00 0.00 55.36 54.27 3is9 s GLN 330 Cb -0.11 -1.96 0.02 0.00 -1.01 0.00 0.00 33.01 29.94 3is9 s GLN 330 CO 0.02 0.30 1.05 0.21 0.01 0.00 0.00 175.29 176.88 3is9 s LYS 331 N -0.01 4.01 0.00 2.91 2.20 -1.26 -1.10 119.74 126.49 3is9 s LYS 331 Ca -0.06 0.96 0.23 0.00 -0.36 0.00 0.00 55.97 56.74 3is9 s LYS 331 Cb -0.14 -3.75 0.04 0.00 -1.51 0.00 0.00 37.83 32.47 3is9 s LYS 331 CO 0.04 -0.93 1.09 1.04 -0.36 0.00 0.00 175.35 176.23 3is9 n GLN 332 N 6.89 0.16 0.00 4.03 1.13 -0.14 -4.99 117.38 124.46 3is9 n GLN 332 Ca 0.11 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3is9 n GLN 332 Cb 0.47 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.33 3is9 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3is9 n GLY 333 N 1.48 0.75 3.85 1.08 0.00 -1.20 -4.89 105.19 106.26 3is9 n GLY 333 Ca 0.05 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 3is9 n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3is9 n GLN 334 N 0.79 -5.44 -1.04 1.61 6.02 -1.26 -1.80 117.38 116.26 3is9 n GLN 334 Ca 0.00 0.61 -0.01 0.00 -0.01 0.00 0.00 57.00 57.58 3is9 n GLN 334 Cb 0.00 -5.41 -0.01 0.00 1.02 0.00 0.00 30.24 25.84 3is9 n GLN 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3is9 n GLY 335 N -1.68 0.37 3.74 1.08 0.00 -1.26 -4.78 105.19 102.65 3is9 n GLY 335 Ca -0.05 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 3is9 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3is9 s GLN 336 N -1.32 3.11 0.05 1.61 -0.21 -0.74 -2.47 119.66 119.68 3is9 s GLN 336 Ca 0.00 -0.33 0.03 0.00 0.02 0.00 0.00 55.36 55.08 3is9 s GLN 336 Cb 0.00 -2.90 -0.02 0.00 1.00 0.00 0.00 33.01 31.08 3is9 s GLN 336 CO 0.00 0.72 -0.10 -1.58 -2.12 0.00 0.00 175.29 172.22 3is9 s TRP 337 N -0.93 0.82 0.29 0.91 0.52 -0.71 -0.97 118.94 118.87 3is9 s TRP 337 Ca 0.14 -0.47 0.12 0.00 0.02 0.00 0.00 56.10 55.90 3is9 s TRP 337 Cb -0.12 -0.48 -0.05 0.00 -1.15 0.00 0.00 33.47 31.67 3is9 s TRP 337 CO 0.03 -0.04 -0.18 0.95 0.02 0.00 0.00 176.95 177.73 3is9 s THR 338 N -1.30 2.49 0.07 2.01 -4.23 -0.26 -2.23 115.64 112.19 3is9 s THR 338 Ca -0.07 -2.36 -0.24 0.00 -1.18 0.00 0.00 61.69 57.83 3is9 s THR 338 Cb -0.10 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.44 3is9 s THR 338 CO 0.01 -0.37 0.58 -0.72 -0.54 0.00 0.00 174.62 173.57 3is9 s TYR 339 N -2.52 -0.51 0.01 3.99 -0.85 -0.95 -0.61 117.35 115.90 3is9 s TYR 339 Ca 0.30 0.52 -0.00 0.00 -0.52 0.00 0.00 57.07 57.38 3is9 s TYR 339 Cb -0.04 0.44 -0.01 0.00 0.38 0.00 0.00 41.96 42.73 3is9 s TYR 339 CO 0.15 -0.72 -0.01 -0.65 -1.52 0.00 0.00 175.55 172.81 3is9 s GLN 340 N -2.76 0.10 -0.12 -3.49 1.11 -0.41 -1.36 119.66 112.72 3is9 s GLN 340 Ca -0.04 -0.18 0.03 0.00 0.01 0.00 0.00 55.36 55.18 3is9 s GLN 340 Cb -0.00 0.04 0.00 0.00 -1.01 0.00 0.00 33.01 32.04 3is9 s GLN 340 CO -0.04 -0.02 -0.22 0.42 0.01 0.00 0.00 175.29 175.44 3is9 s ILE 341 N -0.45 2.10 0.37 1.08 1.01 0.70 -0.56 121.20 125.45 3is9 s ILE 341 Ca -0.05 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 3is9 s ILE 341 Cb -0.03 -1.82 0.04 0.00 0.01 0.00 0.00 42.46 40.65 3is9 s ILE 341 CO -0.00 0.55 0.70 -0.72 0.00 0.00 0.00 174.94 175.47 3is9 s TYR 342 N 0.60 0.36 0.00 3.97 -0.85 0.63 -0.92 117.35 121.14 3is9 s TYR 342 Ca -0.12 -0.91 0.00 0.00 -0.52 0.00 0.00 57.07 55.51 3is9 s TYR 342 Cb -0.17 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.76 3is9 s TYR 342 CO 0.03 -1.45 0.00 1.04 -1.52 0.00 0.00 175.55 173.66 3is9 n GLN 343 N -0.54 1.88 -4.84 -3.49 6.02 -1.26 0.16 117.38 115.32 3is9 n GLN 343 Ca -0.06 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.66 3is9 n GLN 343 Cb 0.60 -0.87 -0.16 0.00 1.02 0.00 0.00 30.24 30.83 3is9 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3is9 s GLU 344 N -1.74 2.03 0.27 -1.09 0.41 -1.26 -4.91 118.70 112.40 3is9 s GLU 344 Ca 0.00 -0.60 -0.30 0.00 -0.41 0.00 0.00 54.97 53.65 3is9 s GLU 344 Cb 0.00 -1.67 -0.13 0.00 -1.78 0.00 0.00 34.13 30.56 3is9 s GLU 344 CO 0.00 0.16 1.47 -2.30 -0.49 0.00 0.00 175.26 174.10 3is9 n PRO 345 N 3.44 2.30 -1.05 0.39 -0.02 -1.26 -1.83 135.00 136.96 3is9 n PRO 345 Ca -0.20 0.82 -0.02 0.00 -2.02 0.00 0.00 63.50 62.08 3is9 n PRO 345 Cb 0.52 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3is9 n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3is9 n PHE 346 N 1.83 0.00 -3.24 6.00 0.99 -1.26 -4.94 117.46 116.84 3is9 n PHE 346 Ca 0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.30 3is9 n PHE 346 Cb 0.34 -0.68 -0.07 0.00 -1.00 0.00 0.00 39.48 38.07 3is9 n PHE 346 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3is9 n LYS 347 N -2.61 1.22 -2.31 -1.08 4.76 -0.76 -4.75 118.16 112.63 3is9 n LYS 347 Ca -0.02 -3.62 -0.38 0.00 -2.87 0.00 0.00 58.31 51.42 3is9 n LYS 347 Cb 0.10 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 31.75 3is9 n LYS 347 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3is9 s ASN 348 N -1.63 6.59 -0.00 4.39 0.01 -1.26 -4.33 114.94 118.71 3is9 s ASN 348 Ca 0.37 2.34 0.14 0.00 -0.71 0.00 0.00 52.86 55.01 3is9 s ASN 348 Cb 0.18 -2.62 -0.16 0.00 0.41 0.00 0.00 41.25 39.06 3is9 s ASN 348 CO -0.09 -0.62 0.60 0.18 -1.51 0.00 0.00 177.10 175.66 3is9 n LEU 349 N 0.18 0.65 -3.64 0.60 4.77 -0.10 -4.94 117.00 114.52 3is9 n LEU 349 Ca 0.04 -0.47 -0.05 0.00 -0.03 0.00 0.00 56.01 55.49 3is9 n LEU 349 Cb 0.46 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3is9 n LEU 349 CO 0.51 0.16 0.99 -0.75 -1.33 0.00 0.00 177.39 176.97 3is9 s LYS 350 N -2.41 0.24 0.02 3.23 2.47 -1.11 -4.56 119.74 117.63 3is9 s LYS 350 Ca 0.05 0.28 -0.04 0.00 -1.56 0.00 0.00 55.97 54.70 3is9 s LYS 350 Cb 0.11 0.12 -0.01 0.00 -1.46 0.00 0.00 37.83 36.58 3is9 s LYS 350 CO 0.60 -0.03 0.06 0.95 0.16 0.00 0.00 175.35 177.09 3is9 s THR 351 N 0.12 0.12 0.39 3.43 -4.23 0.11 -0.22 115.64 115.36 3is9 s THR 351 Ca 0.06 -0.97 -0.12 0.00 -1.18 0.00 0.00 61.69 59.48 3is9 s THR 351 Cb -0.05 -0.61 0.05 0.00 1.34 0.00 0.00 72.50 73.23 3is9 s THR 351 CO -0.12 -0.53 0.72 0.61 -0.54 0.00 0.00 174.62 174.76 3is9 n GLY 352 N 1.17 1.22 2.47 3.99 0.00 -0.47 -4.24 105.19 109.33 3is9 n GLY 352 Ca -0.21 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 3is9 n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3is9 s LYS 353 N -2.25 0.93 -0.32 1.61 2.20 -1.26 -2.25 119.74 118.40 3is9 s LYS 353 Ca 0.19 -1.88 -0.28 0.00 -0.36 0.00 0.00 55.97 53.64 3is9 s LYS 353 Cb -0.04 -1.13 -0.02 0.00 -1.51 0.00 0.00 37.83 35.13 3is9 s LYS 353 CO 0.14 -1.37 1.79 -0.47 -0.36 0.00 0.00 175.35 175.08 3is9 s TYR 354 N 0.25 1.81 0.02 4.03 5.04 -0.94 -4.85 117.35 122.71 3is9 s TYR 354 Ca 0.32 0.61 -0.00 0.00 -2.44 0.00 0.00 57.07 55.56 3is9 s TYR 354 Cb 0.03 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 38.21 3is9 s TYR 354 CO -0.17 -2.98 0.03 0.00 -1.34 0.00 0.00 175.55 171.09 3is9 n ALA 355 N 10.18 -0.01 -1.53 3.97 0.00 -1.26 -1.74 120.51 130.12 3is9 n ALA 355 Ca 0.23 -0.05 -0.55 0.00 0.00 0.00 0.00 53.44 53.07 3is9 n ALA 355 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 3is9 n ALA 355 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3is9 n ARG 356 N -1.05 0.44 0.00 0.00 1.85 -1.03 -4.86 116.66 112.01 3is9 n ARG 356 Ca 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 3is9 n ARG 356 Cb 0.01 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 29.76 3is9 n ARG 356 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3is9 n MET 357 N 1.77 0.00 -0.40 2.89 0.00 -1.26 -5.05 117.12 115.07 3is9 n MET 357 Ca 0.19 0.00 0.35 0.00 0.00 0.00 0.00 57.70 58.24 3is9 n MET 357 Cb 0.14 0.00 0.68 0.00 0.00 0.00 0.00 33.22 34.04 3is9 n MET 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3is9 h ARG 358 N 0.00 0.12 0.00 3.17 2.47 -1.95 -2.67 114.38 115.51 3is9 h ARG 358 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3is9 h ARG 358 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3is9 h ARG 358 CO 0.00 0.08 0.76 0.78 0.56 0.00 0.00 179.97 182.15 3is9 h GLY 359 N 0.12 0.00 -6.99 0.04 0.00 -1.88 -3.42 103.07 90.94 3is9 h GLY 359 Ca 0.68 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.42 3is9 h GLY 359 CO -0.17 0.00 -0.88 0.00 0.00 0.00 0.00 176.54 175.49 3is9 n ALA 360 N -1.35 -1.26 -3.66 3.60 0.00 -1.01 -0.37 120.51 116.46 3is9 n ALA 360 Ca -0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 3is9 n ALA 360 Cb 0.76 -2.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.25 3is9 n ALA 360 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3is9 n HIS 361 N -4.22 -0.83 0.00 0.00 1.44 -1.26 -4.59 115.22 105.76 3is9 n HIS 361 Ca 0.08 0.45 0.00 0.00 -2.01 0.00 0.00 57.72 56.24 3is9 n HIS 361 Cb 0.48 -1.54 0.00 0.00 0.12 0.00 0.00 29.99 29.05 3is9 n HIS 361 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3is9 n THR 362 N -3.16 0.00 -3.79 0.61 -2.24 0.50 -5.03 114.28 101.17 3is9 n THR 362 Ca -0.04 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 3is9 n THR 362 Cb 0.38 -0.02 -0.15 0.00 -2.10 0.00 0.00 70.33 68.44 3is9 n THR 362 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3is9 s ASN 363 N -0.66 4.14 0.29 3.42 3.84 -0.34 -4.99 114.94 120.63 3is9 s ASN 363 Ca 0.00 -1.70 -0.02 0.00 0.21 0.00 0.00 52.86 51.35 3is9 s ASN 363 Cb 0.00 -1.00 0.44 0.00 -0.55 0.00 0.00 41.25 40.14 3is9 s ASN 363 CO 0.00 -0.40 1.93 0.44 -2.79 0.00 0.00 177.10 176.27 3is9 h ASP 364 N 8.01 0.99 -0.00 -4.21 3.45 -1.96 -2.72 116.42 119.97 3is9 h ASP 364 Ca -0.12 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.18 3is9 h ASP 364 Cb 1.02 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.56 3is9 h ASP 364 CO 0.48 0.67 -0.50 0.58 -1.57 0.00 0.00 179.24 178.90 3is9 h VAL 365 N 1.14 1.31 -0.62 -1.35 2.07 -1.94 -1.29 116.25 115.58 3is9 h VAL 365 Ca 0.37 -1.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 3is9 h VAL 365 Cb 0.04 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3is9 h VAL 365 CO -0.12 0.54 0.12 0.50 0.02 0.00 0.00 177.57 178.63 3is9 h LYS 366 N 0.45 1.01 0.06 1.57 3.64 -1.83 -0.75 116.57 120.73 3is9 h LYS 366 Ca 0.02 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3is9 h LYS 366 Cb 1.04 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3is9 h LYS 366 CO 0.10 0.94 -0.03 1.96 -2.27 0.00 0.00 179.45 180.15 3is9 h GLN 367 N 0.92 -0.08 -0.56 1.90 4.20 -1.28 -1.27 115.11 118.93 3is9 h GLN 367 Ca 0.19 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.98 3is9 h GLN 367 Cb 0.41 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 3is9 h GLN 367 CO 0.01 0.10 0.24 1.25 -0.67 0.00 0.00 178.83 179.75 3is9 h LEU 368 N -0.25 0.28 -1.36 1.46 5.85 -1.11 0.15 115.31 120.33 3is9 h LEU 368 Ca -0.01 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3is9 h LEU 368 Cb 0.22 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3is9 h LEU 368 CO 0.01 0.18 0.19 0.74 -0.34 0.00 0.00 178.44 179.22 3is9 h THR 369 N 0.44 1.16 -0.13 1.05 2.02 -0.92 0.53 112.91 117.07 3is9 h THR 369 Ca 0.27 -0.50 -0.23 0.00 0.77 0.00 0.00 66.41 66.72 3is9 h THR 369 Cb 0.27 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3is9 h THR 369 CO -0.24 0.20 -0.81 -0.33 0.37 0.00 0.00 175.52 174.70 3is9 h GLU 370 N 0.63 0.77 -0.17 6.66 5.08 -0.12 -2.32 114.58 125.10 3is9 h GLU 370 Ca 0.15 -0.65 0.03 0.00 -1.00 0.00 0.00 59.36 57.89 3is9 h GLU 370 Cb 0.11 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3is9 h GLU 370 CO -0.02 1.26 -0.05 0.00 -1.00 0.00 0.00 179.01 179.20 3is9 h ALA 371 N 0.55 0.11 -0.33 3.43 0.00 -0.03 0.49 119.26 123.48 3is9 h ALA 371 Ca -0.06 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3is9 h ALA 371 Cb 1.44 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 3is9 h ALA 371 CO 0.17 -0.48 0.05 0.28 0.00 0.00 0.00 179.25 179.27 3is9 h VAL 372 N -0.00 0.82 -0.36 0.00 2.07 -0.88 0.46 116.25 118.35 3is9 h VAL 372 Ca 0.08 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3is9 h VAL 372 Cb 0.13 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3is9 h VAL 372 CO -0.18 0.03 0.24 1.56 0.02 0.00 0.00 177.57 179.24 3is9 h GLN 373 N 0.17 0.47 -0.65 1.57 4.20 -0.93 0.97 115.11 120.91 3is9 h GLN 373 Ca 0.16 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.86 3is9 h GLN 373 Cb 0.18 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3is9 h GLN 373 CO -0.22 0.31 0.41 -0.22 -0.67 0.00 0.00 178.83 178.44 3is9 h LYS 374 N 0.48 0.80 -0.77 1.46 1.63 -0.14 0.21 116.57 120.23 3is9 h LYS 374 Ca 0.14 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 3is9 h LYS 374 Cb -0.04 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.37 3is9 h LYS 374 CO -0.04 0.53 0.27 0.82 -3.45 0.00 0.00 179.45 177.58 3is9 h ILE 375 N 0.82 1.26 -0.46 2.00 1.08 0.35 -1.29 117.51 121.28 3is9 h ILE 375 Ca 0.25 -0.88 -0.09 0.00 -0.39 0.00 0.00 64.86 63.76 3is9 h ILE 375 Cb -0.02 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 3is9 h ILE 375 CO -0.09 0.35 -0.06 0.74 -0.69 0.00 0.00 178.15 178.40 3is9 h THR 376 N 1.14 1.27 -0.08 -0.27 2.02 -0.01 -0.58 112.91 116.40 3is9 h THR 376 Ca 0.25 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.28 3is9 h THR 376 Cb 0.27 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3is9 h THR 376 CO -0.01 0.40 0.05 0.74 0.37 0.00 0.00 175.52 177.06 3is9 h THR 377 N 0.69 1.02 -0.84 3.16 2.02 -0.40 0.20 112.91 118.76 3is9 h THR 377 Ca 0.12 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.33 3is9 h THR 377 Cb 0.59 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3is9 h THR 377 CO 0.04 0.02 0.55 -0.33 0.37 0.00 0.00 175.52 176.16 3is9 h GLU 378 N 0.10 0.92 -0.40 6.66 5.08 -1.06 -1.57 114.58 124.32 3is9 h GLU 378 Ca 0.03 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 3is9 h GLU 378 Cb -0.01 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3is9 h GLU 378 CO -0.01 0.61 -0.24 1.03 -1.00 0.00 0.00 179.01 179.40 3is9 h SER 379 N 0.95 0.82 -0.76 1.42 0.87 -0.30 -2.25 113.55 114.30 3is9 h SER 379 Ca 0.36 -0.31 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3is9 h SER 379 Cb 0.19 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 3is9 h SER 379 CO -0.12 1.03 0.35 0.40 -0.53 0.00 0.00 176.83 177.96 3is9 h ILE 380 N 0.70 1.25 -0.38 2.23 1.08 0.33 -2.59 117.51 120.12 3is9 h ILE 380 Ca 0.09 -0.71 -0.10 0.00 -0.39 0.00 0.00 64.86 63.75 3is9 h ILE 380 Cb 0.77 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3is9 h ILE 380 CO 0.06 0.30 -0.14 0.58 -0.69 0.00 0.00 178.15 178.26 3is9 h VAL 381 N 1.08 1.28 -0.08 1.67 2.07 -1.12 0.18 116.25 121.33 3is9 h VAL 381 Ca 0.26 -1.25 -0.19 0.00 0.82 0.00 0.00 66.70 66.35 3is9 h VAL 381 Cb 0.14 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3is9 h VAL 381 CO -0.03 0.41 -0.68 0.40 0.02 0.00 0.00 177.57 177.69 3is9 h ILE 382 N 0.57 1.34 0.00 4.57 2.04 -1.36 -3.40 117.51 121.27 3is9 h ILE 382 Ca 0.09 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.97 3is9 h ILE 382 Cb 0.67 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3is9 h ILE 382 CO 0.05 0.60 0.00 0.79 0.00 0.00 0.00 178.15 179.59 3is9 n TRP 383 N -4.10 0.00 -3.16 1.37 8.01 -0.98 -4.92 117.44 113.66 3is9 n TRP 383 Ca -0.09 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.95 3is9 n TRP 383 Cb 0.70 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 30.06 3is9 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3is9 n GLY 384 N 0.14 -0.14 3.64 6.99 0.00 0.64 -4.95 105.19 111.51 3is9 n GLY 384 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 3is9 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3is9 s LYS 385 N -5.42 0.07 0.42 1.61 -2.85 -1.25 -4.99 119.74 107.33 3is9 s LYS 385 Ca 0.19 0.04 -0.22 0.00 -1.00 0.00 0.00 55.97 54.98 3is9 s LYS 385 Cb -0.08 0.03 -0.10 0.00 -2.06 0.00 0.00 37.83 35.62 3is9 s LYS 385 CO 0.53 -0.02 0.97 0.95 0.10 0.00 0.00 175.35 177.89 3is9 s THR 386 N -0.56 4.20 0.38 3.79 -4.23 -1.26 -4.06 115.64 113.90 3is9 s THR 386 Ca 0.08 1.47 0.04 0.00 -1.18 0.00 0.00 61.69 62.10 3is9 s THR 386 Cb -0.03 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 3is9 s THR 386 CO -0.11 -0.20 0.55 -2.16 -0.54 0.00 0.00 174.62 172.16 3is9 s PRO 387 N -2.95 3.10 -0.39 3.99 0.04 -1.26 -4.73 135.00 132.80 3is9 s PRO 387 Ca 0.61 -0.79 -0.22 0.00 0.04 0.00 0.00 61.00 60.63 3is9 s PRO 387 Cb -0.13 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.71 3is9 s PRO 387 CO 0.17 -0.07 0.74 0.21 0.04 0.00 0.00 177.00 178.09 3is9 s LYS 388 N -4.33 3.61 0.30 4.56 2.47 0.46 -4.25 119.74 122.56 3is9 s LYS 388 Ca 0.46 0.09 -0.27 0.00 -1.56 0.00 0.00 55.97 54.69 3is9 s LYS 388 Cb -0.10 -3.85 -0.10 0.00 -1.46 0.00 0.00 37.83 32.32 3is9 s LYS 388 CO 0.34 -0.90 0.93 -0.06 0.16 0.00 0.00 175.35 175.82 3is9 s PHE 389 N 3.03 3.76 -0.46 4.03 0.40 -0.53 -0.60 117.98 127.61 3is9 s PHE 389 Ca 0.29 1.80 0.02 0.00 -0.60 0.00 0.00 56.93 58.44 3is9 s PHE 389 Cb -0.13 -2.92 0.12 0.00 0.51 0.00 0.00 43.02 40.60 3is9 s PHE 389 CO 0.18 0.28 0.21 0.15 0.70 0.00 0.00 175.22 176.74 3is9 s LYS 390 N -1.83 1.90 0.05 0.44 1.02 0.13 -0.32 119.74 121.13 3is9 s LYS 390 Ca 0.48 -2.29 -0.27 0.00 0.02 0.00 0.00 55.97 53.91 3is9 s LYS 390 Cb -0.20 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 3is9 s LYS 390 CO 0.26 -1.06 0.83 -0.51 -0.92 0.00 0.00 175.35 173.95 3is9 s LEU 391 N 0.27 4.44 -1.49 3.17 1.43 -0.45 -3.41 118.68 122.64 3is9 s LEU 391 Ca 0.14 1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 54.70 3is9 s LEU 391 Cb -0.23 -3.34 0.01 0.00 0.03 0.00 0.00 46.19 42.66 3is9 s LEU 391 CO -0.04 -0.04 2.68 -0.81 0.23 0.00 0.00 176.35 178.37 3is9 n PRO 392 N 2.98 4.04 -3.64 1.29 -0.04 -1.26 -1.62 135.00 136.75 3is9 n PRO 392 Ca -0.00 -2.76 -0.15 0.00 -0.04 0.00 0.00 63.50 60.55 3is9 n PRO 392 Cb 0.50 -2.75 -0.08 0.00 -0.04 0.00 0.00 33.50 31.13 3is9 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3is9 s ILE 393 N 0.81 0.01 0.29 0.52 2.07 -1.26 -4.98 121.20 118.66 3is9 s ILE 393 Ca 0.62 -0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 59.50 3is9 s ILE 393 Cb 0.18 -0.86 -0.11 0.00 0.13 0.00 0.00 42.46 41.80 3is9 s ILE 393 CO -0.07 -0.03 1.52 -1.10 -1.91 0.00 0.00 174.94 173.34 3is9 s GLN 394 N -0.34 4.18 0.25 3.50 -1.52 -1.26 -4.59 119.66 119.88 3is9 s GLN 394 Ca -0.05 2.47 -0.03 0.00 -1.95 0.00 0.00 55.36 55.79 3is9 s GLN 394 Cb -0.03 -3.05 0.49 0.00 -0.22 0.00 0.00 33.01 30.20 3is9 s GLN 394 CO 0.04 -0.53 1.72 -0.22 -0.25 0.00 0.00 175.29 176.05 3is9 h LYS 395 N 4.67 0.40 -0.59 2.91 3.64 -1.97 -1.80 116.57 123.83 3is9 h LYS 395 Ca -0.47 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 3is9 h LYS 395 Cb 1.22 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3is9 h LYS 395 CO 0.77 0.26 0.23 0.93 -2.27 0.00 0.00 179.45 179.37 3is9 h GLU 396 N 0.41 0.87 0.01 1.90 3.07 -1.99 0.74 114.58 119.60 3is9 h GLU 396 Ca 0.43 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3is9 h GLU 396 Cb 0.69 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3is9 h GLU 396 CO -0.44 0.72 -0.01 1.15 -1.40 0.00 0.00 179.01 179.04 3is9 h THR 397 N 0.85 1.35 -0.36 1.13 2.02 -1.73 -2.99 112.91 113.18 3is9 h THR 397 Ca 0.20 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 3is9 h THR 397 Cb 0.18 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 3is9 h THR 397 CO -0.02 0.28 0.21 -0.25 0.37 0.00 0.00 175.52 176.12 3is9 h TRP 398 N -0.49 0.48 0.00 3.16 2.91 -1.18 -2.66 115.95 118.17 3is9 h TRP 398 Ca -0.00 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 3is9 h TRP 398 Cb 0.48 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 28.97 3is9 h TRP 398 CO 0.09 0.35 -0.14 0.93 -1.03 0.00 0.00 178.44 178.64 3is9 h GLU 399 N 0.47 0.00 -0.04 2.65 5.08 -0.94 -2.28 114.58 119.52 3is9 h GLU 399 Ca 0.13 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 3is9 h GLU 399 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 3is9 h GLU 399 CO -0.02 0.14 -0.90 1.15 -1.00 0.00 0.00 179.01 178.37 3is9 h THR 400 N 0.00 1.34 -1.58 1.13 2.02 -1.33 -3.41 112.91 111.08 3is9 h THR 400 Ca -0.00 -2.24 -0.44 0.00 0.77 0.00 0.00 66.41 64.50 3is9 h THR 400 Cb 0.30 2.26 -0.40 0.00 -1.74 0.00 0.00 68.15 68.57 3is9 h THR 400 CO 0.02 0.68 -1.16 0.79 0.37 0.00 0.00 175.52 176.22 3is9 n TRP 401 N -3.83 0.86 -0.07 3.16 7.02 -0.99 -4.79 117.44 118.80 3is9 n TRP 401 Ca -0.08 -3.38 -0.09 0.00 -1.02 0.00 0.00 57.50 52.94 3is9 n TRP 401 Cb 0.81 -0.39 -0.09 0.00 -2.42 0.00 0.00 31.31 29.22 3is9 n TRP 401 CO 0.00 0.00 0.00 -2.67 -2.02 0.00 0.00 177.69 173.00 3is9 n TRP 402 N 0.09 0.00 0.32 -5.99 4.27 -0.89 -4.59 117.44 110.65 3is9 n TRP 402 Ca 0.19 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.95 3is9 n TRP 402 Cb 0.71 -0.63 0.56 0.00 -1.36 0.00 0.00 31.31 30.60 3is9 n TRP 402 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 3is9 h THR 403 N 0.00 0.00 0.00 -1.67 1.35 -1.86 -2.70 112.91 108.02 3is9 h THR 403 Ca -0.36 -0.50 -0.02 0.00 -0.55 0.00 0.00 66.41 64.98 3is9 h THR 403 Cb 1.66 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3is9 h THR 403 CO -0.02 0.00 -0.10 -0.33 -0.25 0.00 0.00 175.52 174.82 3is9 h GLU 404 N 0.00 0.00 -0.00 4.72 4.39 -1.89 -3.26 114.58 118.53 3is9 h GLU 404 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3is9 h GLU 404 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3is9 h GLU 404 CO 0.00 0.10 -0.09 0.66 -1.16 0.00 0.00 179.01 178.52 3is9 n TYR 405 N -3.20 0.00 -2.21 4.33 4.02 -1.16 -5.04 117.16 113.90 3is9 n TYR 405 Ca 0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.50 3is9 n TYR 405 Cb 0.40 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.70 3is9 n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3is9 s TRP 406 N -0.83 3.08 0.00 -0.72 -0.11 -1.03 -4.88 118.94 114.45 3is9 s TRP 406 Ca 0.04 1.50 0.00 0.00 1.22 0.00 0.00 56.10 58.86 3is9 s TRP 406 Cb 0.04 -3.53 0.00 0.00 -1.50 0.00 0.00 33.47 28.47 3is9 s TRP 406 CO 0.11 -1.56 0.19 1.04 -4.62 0.00 0.00 176.95 172.11 3is9 n GLN 407 N 0.49 0.00 -3.66 5.86 6.02 -1.26 -4.45 117.38 120.37 3is9 n GLN 407 Ca 0.02 -0.19 -0.30 0.00 -0.01 0.00 0.00 57.00 56.51 3is9 n GLN 407 Cb 0.44 -0.46 -0.04 0.00 1.02 0.00 0.00 30.24 31.20 3is9 n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3is9 s ALA 408 N 0.00 3.80 -0.18 -1.58 0.00 -1.26 -4.69 121.76 117.84 3is9 s ALA 408 Ca 0.00 -0.63 0.27 0.00 0.00 0.00 0.00 51.96 51.60 3is9 s ALA 408 Cb 0.00 -2.10 0.78 0.00 0.00 0.00 0.00 23.12 21.80 3is9 s ALA 408 CO 0.00 0.60 1.77 1.79 0.00 0.00 0.00 175.76 179.91 3is9 h THR 409 N 1.88 0.06 -1.04 0.00 1.35 -1.99 -3.45 112.91 109.72 3is9 h THR 409 Ca -0.46 -0.85 -0.48 0.00 -0.55 0.00 0.00 66.41 64.06 3is9 h THR 409 Cb 1.17 1.81 0.01 0.00 -1.73 0.00 0.00 68.15 69.40 3is9 h THR 409 CO 0.71 0.03 -0.21 -1.66 -0.25 0.00 0.00 175.52 174.14 3is9 s TRP 410 N -3.41 2.01 -0.15 4.73 1.48 -1.26 -4.70 118.94 117.65 3is9 s TRP 410 Ca 0.04 -0.62 -0.08 0.00 -1.06 0.00 0.00 56.10 54.39 3is9 s TRP 410 Cb 0.07 -2.21 0.06 0.00 -1.16 0.00 0.00 33.47 30.23 3is9 s TRP 410 CO 0.62 -0.71 0.36 0.42 -4.06 0.00 0.00 176.95 173.59 3is9 s ILE 411 N -2.57 -0.10 0.82 0.66 1.01 -1.26 -5.01 121.20 114.75 3is9 s ILE 411 Ca 0.54 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 3is9 s ILE 411 Cb -0.06 -0.55 0.17 0.00 0.01 0.00 0.00 42.46 42.03 3is9 s ILE 411 CO 0.33 0.05 1.12 -2.16 0.00 0.00 0.00 174.94 174.28 3is9 s PRO 412 N 1.52 1.18 0.20 2.79 0.04 -1.26 -4.95 135.00 134.52 3is9 s PRO 412 Ca -0.08 -1.05 -0.00 0.00 0.04 0.00 0.00 61.00 59.91 3is9 s PRO 412 Cb -0.09 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 3is9 s PRO 412 CO -0.12 -1.87 0.38 -1.21 0.04 0.00 0.00 177.00 174.23 3is9 s GLU 413 N -5.41 3.51 0.08 4.56 0.41 -1.26 -5.03 118.70 115.56 3is9 s GLU 413 Ca 0.71 -0.37 -0.19 0.00 -0.41 0.00 0.00 54.97 54.70 3is9 s GLU 413 Cb -0.03 -2.85 0.04 0.00 -1.78 0.00 0.00 34.13 29.51 3is9 s GLU 413 CO 0.48 0.41 0.46 1.67 -0.49 0.00 0.00 175.26 177.78 3is9 s TRP 414 N -1.87 -0.32 0.29 1.61 -2.14 -1.26 -1.45 118.94 113.81 3is9 s TRP 414 Ca 0.38 0.22 0.02 0.00 2.66 0.00 0.00 56.10 59.39 3is9 s TRP 414 Cb -0.11 0.29 -0.04 0.00 -3.10 0.00 0.00 33.47 30.51 3is9 s TRP 414 CO 0.29 -0.65 0.13 -1.83 -2.66 0.00 0.00 176.95 172.23 3is9 s GLU 415 N -2.92 1.55 -0.05 3.25 -1.05 0.56 -4.93 118.70 115.11 3is9 s GLU 415 Ca -0.03 -1.87 0.06 0.00 -0.15 0.00 0.00 54.97 52.99 3is9 s GLU 415 Cb -0.00 -0.21 -0.01 0.00 -0.44 0.00 0.00 34.13 33.47 3is9 s GLU 415 CO -0.06 -0.39 -0.25 -0.06 0.95 0.00 0.00 175.26 175.46 3is9 s PHE 416 N -3.63 2.43 -0.24 4.83 0.40 -1.26 -1.34 117.98 119.16 3is9 s PHE 416 Ca 0.36 -0.67 -0.10 0.00 -0.60 0.00 0.00 56.93 55.92 3is9 s PHE 416 Cb 0.06 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 3is9 s PHE 416 CO 0.16 -0.19 0.14 0.14 0.70 0.00 0.00 175.22 176.17 3is9 s VAL 417 N -0.23 5.08 -1.84 -0.44 -7.23 -0.64 -4.92 120.40 110.18 3is9 s VAL 417 Ca -0.01 0.09 0.15 0.00 -1.81 0.00 0.00 61.98 60.39 3is9 s VAL 417 Cb -0.13 -3.37 0.15 0.00 0.56 0.00 0.00 36.38 33.58 3is9 s VAL 417 CO 0.03 0.34 1.01 0.59 -0.31 0.00 0.00 175.10 176.76 3is9 n ASN 418 N 4.45 2.35 -4.26 4.85 3.02 -1.26 -4.25 115.26 120.16 3is9 n ASN 418 Ca -0.15 -1.66 -0.33 0.00 -0.03 0.00 0.00 54.58 52.41 3is9 n ASN 418 Cb 0.52 -0.03 -0.16 0.00 -0.61 0.00 0.00 39.78 39.50 3is9 n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3is9 s THR 419 N -1.24 2.46 -0.15 3.41 2.01 -1.26 -5.07 115.64 115.80 3is9 s THR 419 Ca 0.19 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 3is9 s THR 419 Cb 0.13 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 3is9 s THR 419 CO 0.19 0.54 2.00 -2.16 -0.69 0.00 0.00 174.62 174.50 3is9 s PRO 420 N 0.59 3.57 0.27 4.92 0.04 -1.26 -4.94 135.00 138.20 3is9 s PRO 420 Ca -0.11 2.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 3is9 s PRO 420 Cb -0.16 -4.23 -0.11 0.00 0.04 0.00 0.00 34.50 30.04 3is9 s PRO 420 CO 0.03 -1.59 1.51 -2.14 0.04 0.00 0.00 177.00 174.85 3is9 s PRO 421 N 5.42 4.20 0.26 0.56 0.02 -1.26 -4.89 135.00 139.30 3is9 s PRO 421 Ca 0.90 2.44 -0.02 0.00 0.02 0.00 0.00 61.00 64.34 3is9 s PRO 421 Cb -0.34 -3.06 0.33 0.00 0.02 0.00 0.00 34.50 31.45 3is9 s PRO 421 CO 0.36 -0.52 1.76 1.25 -0.33 0.00 0.00 177.00 179.52 3is9 h LEU 422 N 4.87 0.76 -1.16 -5.54 5.85 -2.08 -3.24 115.31 114.76 3is9 h LEU 422 Ca -0.47 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3is9 h LEU 422 Cb 1.22 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3is9 h LEU 422 CO 0.78 0.83 0.00 1.33 -0.34 0.00 0.00 178.44 181.04 3is9 n VAL 423 N -4.21 0.10 0.14 1.05 0.24 -1.26 -4.52 118.33 109.87 3is9 n VAL 423 Ca 0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 3is9 n VAL 423 Cb 0.30 -0.40 -0.06 0.00 -1.47 0.00 0.00 33.84 32.21 3is9 n VAL 423 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3is9 h LYS 424 N 0.42 -0.53 -0.12 7.34 3.64 -1.97 -3.14 116.57 122.22 3is9 h LYS 424 Ca 0.00 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3is9 h LYS 424 Cb 0.37 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3is9 h LYS 424 CO 0.00 -0.36 -0.17 1.25 -2.27 0.00 0.00 179.45 177.91 3is9 h LEU 425 N -0.55 0.18 -2.16 5.20 5.85 -1.92 -2.86 115.31 119.04 3is9 h LEU 425 Ca -0.03 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3is9 h LEU 425 Cb 0.50 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3is9 h LEU 425 CO -0.08 0.36 0.27 -0.50 -0.34 0.00 0.00 178.44 178.15 3is9 h TRP 426 N 0.18 0.00 -0.01 1.25 6.55 -1.87 0.32 115.95 122.35 3is9 h TRP 426 Ca 0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3is9 h TRP 426 Cb 0.41 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.71 3is9 h TRP 426 CO 0.00 0.00 -0.02 0.66 -1.05 0.00 0.00 178.44 178.03 3is9 n TYR 427 N -3.69 0.00 1.29 0.49 4.01 -1.08 -4.99 117.16 113.19 3is9 n TYR 427 Ca 0.03 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.87 3is9 n TYR 427 Cb 0.40 -0.01 0.61 0.00 -0.31 0.00 0.00 39.34 40.03 3is9 n TYR 427 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34