#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dle s GLU 6 N 0.00 0.12 -0.09 9.51 2.56 -1.26 -4.75 118.70 124.79 3dle s GLU 6 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.97 54.70 3dle s GLU 6 Cb 0.00 -1.77 0.02 0.00 2.00 0.00 0.00 34.13 34.37 3dle s GLU 6 CO 0.00 -2.78 -0.12 0.95 -0.56 0.00 0.00 175.26 172.75 3dle s THR 7 N -3.60 1.20 0.14 -1.70 -4.23 -1.26 -4.59 115.64 101.60 3dle s THR 7 Ca 0.73 -0.47 -0.28 0.00 -1.18 0.00 0.00 61.69 60.49 3dle s THR 7 Cb -0.06 -1.13 -0.07 0.00 1.34 0.00 0.00 72.50 72.58 3dle s THR 7 CO 0.54 0.38 0.88 0.68 -0.54 0.00 0.00 174.62 176.56 3dle s VAL 8 N 1.05 4.43 -0.11 2.29 -7.23 -1.26 -4.87 120.40 114.70 3dle s VAL 8 Ca -0.07 1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 61.72 3dle s VAL 8 Cb -0.15 -4.25 -0.05 0.00 0.56 0.00 0.00 36.38 32.49 3dle s VAL 8 CO -0.01 0.41 1.82 -2.16 -0.31 0.00 0.00 175.10 174.84 3dle s PRO 9 N -0.49 3.89 -0.02 4.82 0.04 -1.26 -4.44 135.00 137.54 3dle s PRO 9 Ca 0.42 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.60 3dle s PRO 9 Cb -0.23 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.17 3dle s PRO 9 CO 0.28 -1.21 -0.08 0.08 0.04 0.00 0.00 177.00 176.11 3dle s VAL 10 N 5.17 3.58 0.17 -0.36 1.01 -1.26 -5.12 120.40 123.60 3dle s VAL 10 Ca 0.81 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 3dle s VAL 10 Cb -0.33 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3dle s VAL 10 CO 0.34 0.46 0.07 -0.54 0.00 0.00 0.00 175.10 175.42 3dle s LYS 11 N -1.20 1.09 0.60 2.72 1.02 -1.26 -4.68 119.74 118.03 3dle s LYS 11 Ca 0.15 -1.54 -0.10 0.00 0.02 0.00 0.00 55.97 54.50 3dle s LYS 11 Cb -0.11 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 3dle s LYS 11 CO 0.05 -0.26 0.99 -0.51 -0.92 0.00 0.00 175.35 174.69 3dle s LEU 12 N -3.13 3.29 0.77 3.17 1.43 -1.26 -1.17 118.68 121.78 3dle s LEU 12 Ca 0.29 1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 54.57 3dle s LEU 12 Cb 0.07 -4.34 0.06 0.00 0.03 0.00 0.00 46.19 42.02 3dle s LEU 12 CO 0.06 -0.83 1.18 -0.54 0.23 0.00 0.00 176.35 176.45 3dle s LYS 13 N -5.10 1.94 -0.18 1.70 1.02 0.12 -4.48 119.74 114.76 3dle s LYS 13 Ca 0.54 1.65 -0.37 0.00 0.02 0.00 0.00 55.97 57.81 3dle s LYS 13 Cb -0.11 -1.82 -0.14 0.00 -0.52 0.00 0.00 37.83 35.24 3dle s LYS 13 CO 0.52 -1.96 1.82 -2.30 -0.92 0.00 0.00 175.35 172.51 3dle n PRO 14 N -3.09 1.69 0.00 -1.68 -0.02 -1.26 -1.10 135.00 129.54 3dle n PRO 14 Ca 0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3dle n PRO 14 Cb 0.51 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3dle n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dle n GLY 15 N 4.32 1.83 3.76 -1.23 0.00 -1.26 -5.03 105.19 107.57 3dle n GLY 15 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 3dle n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dle s MET 16 N -0.48 4.74 0.28 1.61 -1.94 -0.26 -5.06 119.30 118.19 3dle s MET 16 Ca 0.00 1.37 0.07 0.00 -1.71 0.00 0.00 55.69 55.42 3dle s MET 16 Cb 0.00 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 3dle s MET 16 CO 0.00 0.49 0.22 0.34 -0.01 0.00 0.00 175.02 176.06 3dle s ASP 17 N -1.00 5.43 1.12 3.03 2.15 -1.26 -4.73 116.67 121.41 3dle s ASP 17 Ca 0.40 -0.33 -0.12 0.00 0.43 0.00 0.00 52.55 52.92 3dle s ASP 17 Cb -0.25 -1.26 0.26 0.00 -0.30 0.00 0.00 42.92 41.37 3dle s ASP 17 CO 0.30 -0.13 1.05 -0.83 -0.17 0.00 0.00 175.17 175.39 3dle s GLY 18 N -3.88 1.57 0.47 2.66 0.00 -1.26 -4.98 107.32 101.89 3dle s GLY 18 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 44.72 44.86 3dle s GLY 18 CO 0.25 0.66 1.06 2.56 0.00 0.00 0.00 173.10 177.63 3dle s PRO 19 N -4.51 3.85 -0.36 2.90 0.04 -1.26 -4.97 135.00 130.69 3dle s PRO 19 Ca 0.68 1.44 0.13 0.00 0.04 0.00 0.00 61.00 63.29 3dle s PRO 19 Cb -0.24 -2.21 0.38 0.00 0.04 0.00 0.00 34.50 32.46 3dle s PRO 19 CO 0.63 -0.40 0.79 1.63 0.04 0.00 0.00 177.00 179.69 3dle n LYS 20 N -0.76 1.01 -3.20 4.56 5.02 -1.22 -1.08 118.16 122.50 3dle n LYS 20 Ca 0.08 -3.31 -0.39 0.00 -2.02 0.00 0.00 58.31 52.68 3dle n LYS 20 Cb 0.51 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 3dle n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dle s VAL 21 N -2.52 4.70 0.29 -0.18 1.01 -0.35 -4.84 120.40 118.52 3dle s VAL 21 Ca 0.36 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.48 3dle s VAL 21 Cb 0.37 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 3dle s VAL 21 CO -0.05 0.52 0.77 -1.59 0.00 0.00 0.00 175.10 174.75 3dle s LYS 22 N -0.92 4.19 0.01 2.72 -2.85 -1.26 -4.07 119.74 117.55 3dle s LYS 22 Ca 0.31 0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 55.84 3dle s LYS 22 Cb -0.20 -2.62 -0.04 0.00 -2.06 0.00 0.00 37.83 32.91 3dle s LYS 22 CO 0.20 0.25 1.14 -1.14 0.10 0.00 0.00 175.35 175.90 3dle s GLN 23 N -2.50 4.44 0.26 1.78 2.00 -1.26 -4.67 119.66 119.70 3dle s GLN 23 Ca 0.50 1.64 -0.22 0.00 -2.00 0.00 0.00 55.36 55.28 3dle s GLN 23 Cb -0.14 -3.44 -0.09 0.00 0.80 0.00 0.00 33.01 30.15 3dle s GLN 23 CO 0.19 -0.27 0.81 1.67 -0.50 0.00 0.00 175.29 177.19 3dle s TRP 24 N 1.42 3.67 0.18 1.67 -2.14 -1.26 -4.98 118.94 117.50 3dle s TRP 24 Ca 0.56 1.54 -0.33 0.00 2.66 0.00 0.00 56.10 60.53 3dle s TRP 24 Cb -0.26 -2.73 -0.15 0.00 -3.10 0.00 0.00 33.47 27.23 3dle s TRP 24 CO 0.26 0.30 1.27 -0.35 -2.66 0.00 0.00 176.95 175.77 3dle n PRO 25 N 0.69 1.46 -4.24 3.25 -0.04 -1.26 -4.99 135.00 129.87 3dle n PRO 25 Ca -0.01 0.52 -0.25 0.00 -0.04 0.00 0.00 63.50 63.72 3dle n PRO 25 Cb 0.51 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.80 3dle n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dle s LEU 26 N 0.50 3.24 0.52 1.53 1.43 -1.26 -5.12 118.68 119.52 3dle s LEU 26 Ca 0.73 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 3dle s LEU 26 Cb -0.80 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.49 3dle s LEU 26 CO 0.50 0.06 0.98 0.42 0.23 0.00 0.00 176.35 178.54 3dle s THR 27 N -1.90 4.56 0.22 5.49 -4.23 -1.26 -4.86 115.64 113.66 3dle s THR 27 Ca 0.28 1.15 -0.08 0.00 -1.18 0.00 0.00 61.69 61.87 3dle s THR 27 Cb -0.08 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.18 3dle s THR 27 CO 0.19 -0.73 1.75 -0.08 -0.54 0.00 0.00 174.62 175.21 3dle h GLU 28 N 0.81 0.44 -0.97 3.99 4.81 -1.99 -0.41 114.58 121.25 3dle h GLU 28 Ca -0.47 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 58.87 3dle h GLU 28 Cb 1.19 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 3dle h GLU 28 CO 0.62 0.29 0.61 1.49 -0.73 0.00 0.00 179.01 181.29 3dle h GLU 29 N 0.45 0.86 0.06 1.92 4.81 -2.00 -0.23 114.58 120.45 3dle h GLU 29 Ca 0.33 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 59.24 3dle h GLU 29 Cb 0.42 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.63 3dle h GLU 29 CO -0.32 0.57 -1.09 0.87 -0.73 0.00 0.00 179.01 178.32 3dle h LYS 30 N 0.88 0.63 -0.29 1.92 1.57 -1.65 -3.15 116.57 116.47 3dle h LYS 30 Ca 0.49 -0.76 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3dle h LYS 30 Cb 0.59 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3dle h LYS 30 CO -0.26 1.33 0.18 0.82 -0.57 0.00 0.00 179.45 180.95 3dle h ILE 31 N 0.26 1.10 -0.97 1.86 2.04 -0.31 -1.55 117.51 119.96 3dle h ILE 31 Ca -0.15 -0.24 0.10 0.00 1.00 0.00 0.00 64.86 65.56 3dle h ILE 31 Cb 1.76 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 38.50 3dle h ILE 31 CO 0.21 0.10 0.60 0.11 0.00 0.00 0.00 178.15 179.18 3dle h LYS 32 N 0.38 0.98 -0.38 2.37 1.57 -1.16 -0.29 116.57 120.03 3dle h LYS 32 Ca 0.11 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3dle h LYS 32 Cb 0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3dle h LYS 32 CO -0.02 0.65 0.01 0.00 -0.57 0.00 0.00 179.45 179.52 3dle h ALA 33 N 1.49 0.51 -0.23 3.86 0.00 -1.40 -1.80 119.26 121.70 3dle h ALA 33 Ca 0.46 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3dle h ALA 33 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dle h ALA 33 CO -0.23 0.27 -0.31 -0.07 0.00 0.00 0.00 179.25 178.91 3dle h LEU 34 N 0.49 0.48 0.11 0.00 3.38 -0.78 0.01 115.31 118.99 3dle h LEU 34 Ca 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3dle h LEU 34 Cb 0.45 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3dle h LEU 34 CO 0.02 0.76 -0.05 0.58 0.09 0.00 0.00 178.44 179.84 3dle h VAL 35 N 0.40 0.90 0.06 1.22 2.07 -0.82 0.44 116.25 120.52 3dle h VAL 35 Ca 0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3dle h VAL 35 Cb 0.74 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3dle h VAL 35 CO 0.06 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.27 3dle h GLU 36 N -0.15 -0.12 -0.38 1.57 5.08 -1.06 0.15 114.58 119.68 3dle h GLU 36 Ca -0.01 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3dle h GLU 36 Cb 0.12 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3dle h GLU 36 CO 0.02 -0.08 0.13 0.82 -1.00 0.00 0.00 179.01 178.90 3dle h ILE 37 N -0.12 0.88 -0.46 3.13 2.04 -0.85 -2.43 117.51 119.71 3dle h ILE 37 Ca 0.00 -0.10 -0.13 0.00 1.00 0.00 0.00 64.86 65.63 3dle h ILE 37 Cb 0.11 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3dle h ILE 37 CO -0.01 0.05 -0.25 0.00 0.00 0.00 0.00 178.15 177.95 3dle h THR 39 N 0.82 0.82 -0.13 0.00 2.02 -0.75 -0.30 112.91 115.39 3dle h THR 39 Ca 0.10 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 3dle h THR 39 Cb 0.82 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3dle h THR 39 CO 0.07 0.02 -0.03 -0.08 0.37 0.00 0.00 175.52 175.87 3dle h GLU 40 N 0.12 0.18 0.00 6.66 4.57 -1.32 -1.77 114.58 123.02 3dle h GLU 40 Ca 0.13 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 3dle h GLU 40 Cb 0.16 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3dle h GLU 40 CO -0.20 0.23 -0.61 0.52 -1.18 0.00 0.00 179.01 177.76 3dle h MET 41 N 0.18 0.00 -0.26 1.92 2.86 -0.81 -2.55 114.93 116.26 3dle h MET 41 Ca 0.04 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 3dle h MET 41 Cb 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3dle h MET 41 CO 0.01 0.61 -0.37 1.49 1.06 0.00 0.00 176.91 179.71 3dle h GLU 42 N 0.00 0.71 -0.57 1.72 4.81 -0.38 0.18 114.58 121.05 3dle h GLU 42 Ca -0.01 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 3dle h GLU 42 Cb 1.30 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 3dle h GLU 42 CO 0.08 1.04 0.19 0.87 -0.73 0.00 0.00 179.01 180.46 3dle h LYS 43 N 0.45 0.87 -0.18 1.92 1.57 -1.30 -1.33 116.57 118.57 3dle h LYS 43 Ca 0.03 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3dle h LYS 43 Cb 0.96 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3dle h LYS 43 CO 0.09 0.78 0.00 0.39 -0.57 0.00 0.00 179.45 180.14 3dle n GLU 44 N -4.45 0.85 -1.12 3.15 1.02 -0.97 -4.86 120.64 114.26 3dle n GLU 44 Ca 0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.13 3dle n GLU 44 Cb 0.19 -1.09 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 3dle n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dle n GLY 45 N 0.29 0.49 0.14 0.62 0.00 -0.50 -4.89 105.19 101.34 3dle n GLY 45 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 3dle n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dle h LYS 46 N 0.13 0.08 -4.27 1.61 6.56 -0.86 -3.44 116.57 116.38 3dle h LYS 46 Ca -0.09 -0.07 -0.14 0.00 -1.06 0.00 0.00 60.65 59.29 3dle h LYS 46 Cb 0.90 0.01 -0.16 0.00 -0.57 0.00 0.00 32.23 32.41 3dle h LYS 46 CO 0.13 0.73 -0.69 0.96 -2.06 0.00 0.00 179.45 178.53 3dle s ILE 47 N -3.51 0.28 0.02 1.86 -4.36 -1.21 -1.30 121.20 112.98 3dle s ILE 47 Ca -0.02 -1.70 0.03 0.00 -0.26 0.00 0.00 60.65 58.69 3dle s ILE 47 Cb 0.12 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.44 3dle s ILE 47 CO 0.78 -0.91 -0.09 -0.44 0.24 0.00 0.00 174.94 174.53 3dle s SER 48 N -2.73 0.99 0.47 4.36 0.01 -0.80 -4.35 113.70 111.65 3dle s SER 48 Ca 0.05 -0.30 -0.24 0.00 1.31 0.00 0.00 55.95 56.76 3dle s SER 48 Cb 0.05 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.15 3dle s SER 48 CO -0.08 -0.00 1.34 -0.54 0.41 0.00 0.00 173.24 174.37 3dle s LYS 49 N -0.73 3.58 0.33 12.44 1.02 -1.26 -2.35 119.74 132.78 3dle s LYS 49 Ca -0.01 2.20 0.10 0.00 0.02 0.00 0.00 55.97 58.28 3dle s LYS 49 Cb -0.06 -2.51 -0.06 0.00 -0.52 0.00 0.00 37.83 34.68 3dle s LYS 49 CO 0.00 -0.83 -0.11 0.96 -0.92 0.00 0.00 175.35 174.45 3dle s ILE 50 N -1.30 2.26 0.86 2.17 -4.36 -1.14 -4.89 121.20 114.80 3dle s ILE 50 Ca 0.64 -2.24 -0.08 0.00 -0.26 0.00 0.00 60.65 58.71 3dle s ILE 50 Cb -0.39 -2.58 0.18 0.00 1.25 0.00 0.00 42.46 40.92 3dle s ILE 50 CO 0.49 -0.24 1.17 -0.83 0.24 0.00 0.00 174.94 175.77 3dle s GLY 51 N -3.59 1.78 0.06 6.27 0.00 -1.26 -4.79 107.32 105.79 3dle s GLY 51 Ca 0.32 -1.61 0.23 0.00 0.00 0.00 0.00 44.72 43.66 3dle s GLY 51 CO 0.16 -0.90 1.71 -1.55 0.00 0.00 0.00 173.10 172.53 3dle n PRO 52 N -3.33 0.06 0.00 2.90 -0.04 -1.26 -2.87 135.00 130.46 3dle n PRO 52 Ca 0.17 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 3dle n PRO 52 Cb 0.60 -1.59 0.78 0.00 -0.04 0.00 0.00 33.50 33.25 3dle n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3dle n GLU 53 N -1.70 0.81 -3.52 0.54 0.00 -1.26 -4.43 120.64 111.08 3dle n GLU 53 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.79 3dle n GLU 53 Cb 0.28 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.13 3dle n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3dle s ASN 54 N -2.03 5.83 0.13 -1.84 3.84 -1.14 -4.95 114.94 114.79 3dle s ASN 54 Ca 0.39 -1.51 0.26 0.00 0.21 0.00 0.00 52.86 52.21 3dle s ASN 54 Cb 0.18 -2.06 0.67 0.00 -0.55 0.00 0.00 41.25 39.50 3dle s ASN 54 CO 0.31 -0.61 1.60 -0.81 -2.79 0.00 0.00 177.10 174.81 3dle n PRO 55 N 5.02 0.22 -1.70 0.43 -0.04 -1.26 -4.94 135.00 132.72 3dle n PRO 55 Ca -0.11 0.12 -0.32 0.00 -0.04 0.00 0.00 63.50 63.16 3dle n PRO 55 Cb 0.43 -1.70 0.04 0.00 -0.04 0.00 0.00 33.50 32.23 3dle n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dle s TYR 56 N -3.10 3.01 -0.19 0.54 2.02 -1.26 -4.81 117.35 113.55 3dle s TYR 56 Ca 0.10 1.47 -0.28 0.00 -0.37 0.00 0.00 57.07 57.98 3dle s TYR 56 Cb 0.14 -2.95 0.11 0.00 -0.40 0.00 0.00 41.96 38.86 3dle s TYR 56 CO 0.64 -1.26 0.91 1.21 -1.57 0.00 0.00 175.55 175.48 3dle s ASN 57 N -3.39 -0.51 -0.01 2.29 2.47 -0.24 -4.70 114.94 110.84 3dle s ASN 57 Ca 0.60 0.76 0.02 0.00 0.42 0.00 0.00 52.86 54.66 3dle s ASN 57 Cb -0.15 0.70 0.00 0.00 -1.45 0.00 0.00 41.25 40.35 3dle s ASN 57 CO 0.49 -0.32 -0.05 -0.89 -3.72 0.00 0.00 177.10 172.60 3dle s THR 58 N -0.48 0.47 0.50 -5.21 2.01 -0.61 -1.21 115.64 111.11 3dle s THR 58 Ca -0.02 -0.21 -0.21 0.00 0.31 0.00 0.00 61.69 61.56 3dle s THR 58 Cb -0.02 -0.43 -0.07 0.00 0.01 0.00 0.00 72.50 71.98 3dle s THR 58 CO 0.01 0.16 1.11 -2.16 -0.69 0.00 0.00 174.62 173.05 3dle s PRO 59 N 0.15 3.61 0.08 4.92 0.04 -1.26 -4.14 135.00 138.40 3dle s PRO 59 Ca -0.02 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.64 3dle s PRO 59 Cb -0.06 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3dle s PRO 59 CO -0.00 -0.63 -0.06 0.54 0.04 0.00 0.00 177.00 176.88 3dle s VAL 60 N -1.74 0.57 0.26 -0.36 0.11 -1.26 -0.65 120.40 117.32 3dle s VAL 60 Ca 0.68 -1.69 -0.20 0.00 -2.93 0.00 0.00 61.98 57.84 3dle s VAL 60 Cb -0.23 -1.37 0.07 0.00 -1.53 0.00 0.00 36.38 33.32 3dle s VAL 60 CO 0.28 -0.77 0.96 0.72 -3.33 0.00 0.00 175.10 172.96 3dle s PHE 61 N -3.09 0.10 -0.03 1.54 -0.12 -0.09 -4.88 117.98 111.42 3dle s PHE 61 Ca 0.05 -0.61 0.06 0.00 -0.05 0.00 0.00 56.93 56.39 3dle s PHE 61 Cb 0.02 0.76 -0.01 0.00 -0.63 0.00 0.00 43.02 43.15 3dle s PHE 61 CO -0.04 -1.16 -0.21 0.00 -0.05 0.00 0.00 175.22 173.76 3dle s ALA 62 N -2.12 1.81 0.14 1.99 0.00 -1.26 -0.05 121.76 122.26 3dle s ALA 62 Ca 0.20 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3dle s ALA 62 Cb -0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 3dle s ALA 62 CO 0.08 0.41 0.02 0.44 0.00 0.00 0.00 175.76 176.71 3dle n ILE 63 N 2.71 0.00 -3.36 0.00 -5.35 -0.47 -4.93 119.36 107.96 3dle n ILE 63 Ca -0.16 -0.72 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 3dle n ILE 63 Cb 0.52 0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 38.59 3dle n ILE 63 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3dle s LYS 64 N -2.52 0.53 -0.01 6.28 1.02 -1.26 -0.98 119.74 122.81 3dle s LYS 64 Ca 0.03 1.11 -0.01 0.00 0.02 0.00 0.00 55.97 57.12 3dle s LYS 64 Cb 0.00 0.54 -0.00 0.00 -0.52 0.00 0.00 37.83 37.85 3dle s LYS 64 CO 0.02 -0.47 -0.01 0.36 -0.92 0.00 0.00 175.35 174.33 3dle n LYS 65 N 5.43 0.02 -0.04 1.68 2.85 -1.26 -4.83 118.16 122.00 3dle n LYS 65 Ca -0.05 0.01 -0.03 0.00 -1.05 0.00 0.00 58.31 57.18 3dle n LYS 65 Cb 0.50 -0.44 -0.01 0.00 -0.65 0.00 0.00 35.03 34.43 3dle n LYS 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3dle n LYS 66 N -2.57 0.26 -0.92 -1.58 5.02 -1.26 -4.99 118.16 112.12 3dle n LYS 66 Ca -0.00 0.28 -0.32 0.00 -2.02 0.00 0.00 58.31 56.24 3dle n LYS 66 Cb 0.02 -1.15 0.15 0.00 -0.02 0.00 0.00 35.03 34.02 3dle n LYS 66 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3dle n ASP 67 N -3.54 0.64 0.00 4.39 8.00 -1.26 -5.02 116.55 119.76 3dle n ASP 67 Ca -0.05 0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.96 3dle n ASP 67 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.81 3dle n ASP 67 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3dle n SER 68 N -3.61 0.00 0.23 -2.24 7.64 -1.26 -4.60 113.62 109.77 3dle n SER 68 Ca 0.13 0.11 0.07 0.00 1.01 0.00 0.00 58.87 60.19 3dle n SER 68 Cb 0.51 -0.39 0.60 0.00 -1.01 0.00 0.00 64.21 63.93 3dle n SER 68 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3dle h THR 69 N 0.00 1.02 -3.96 0.44 2.02 -2.04 -3.44 112.91 106.96 3dle h THR 69 Ca 0.00 -0.07 -0.49 0.00 0.77 0.00 0.00 66.41 66.62 3dle h THR 69 Cb 0.00 0.97 0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3dle h THR 69 CO 0.00 0.03 0.44 -0.54 0.37 0.00 0.00 175.52 175.82 3dle s LYS 70 N -5.08 4.10 0.02 6.66 3.01 -1.26 -5.06 119.74 122.13 3dle s LYS 70 Ca -0.05 1.63 0.05 0.00 -1.01 0.00 0.00 55.97 56.59 3dle s LYS 70 Cb 0.17 -2.58 -0.03 0.00 -1.01 0.00 0.00 37.83 34.38 3dle s LYS 70 CO 0.68 -0.22 -0.13 -1.58 0.51 0.00 0.00 175.35 174.61 3dle s TRP 71 N -1.57 2.70 0.14 3.18 0.52 -1.26 -4.76 118.94 117.90 3dle s TRP 71 Ca 0.58 -0.16 0.09 0.00 0.02 0.00 0.00 56.10 56.62 3dle s TRP 71 Cb -0.25 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 3dle s TRP 71 CO 0.31 0.30 -0.14 0.50 0.02 0.00 0.00 176.95 177.94 3dle s ARG 72 N -1.41 1.91 -0.18 4.98 3.52 -0.15 -4.97 118.95 122.64 3dle s ARG 72 Ca 0.16 -1.22 -0.08 0.00 -0.13 0.00 0.00 55.73 54.46 3dle s ARG 72 Cb -0.11 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 3dle s ARG 72 CO 0.06 0.46 0.07 0.21 -0.81 0.00 0.00 175.30 175.29 3dle s LYS 73 N -2.45 3.98 -0.17 5.12 2.20 -1.26 -1.37 119.74 125.79 3dle s LYS 73 Ca 0.21 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 3dle s LYS 73 Cb -0.10 -3.23 0.02 0.00 -1.51 0.00 0.00 37.83 33.01 3dle s LYS 73 CO 0.12 0.30 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.06 3dle s LEU 74 N 0.30 2.00 -0.14 5.43 2.96 0.92 -4.94 118.68 125.22 3dle s LEU 74 Ca 0.04 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 3dle s LEU 74 Cb -0.12 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 3dle s LEU 74 CO -0.00 -0.01 0.01 -0.69 -1.32 0.00 0.00 176.35 174.35 3dle s VAL 75 N 1.28 4.38 -1.10 1.68 1.01 -1.26 -0.91 120.40 125.48 3dle s VAL 75 Ca 0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 3dle s VAL 75 Cb -0.13 -2.91 0.17 0.00 0.00 0.00 0.00 36.38 33.51 3dle s VAL 75 CO -0.11 0.53 1.27 -0.62 0.00 0.00 0.00 175.10 176.18 3dle s ASP 76 N -0.17 6.95 -0.05 3.32 3.68 0.17 -4.85 116.67 125.74 3dle s ASP 76 Ca 0.05 -2.77 0.07 0.00 2.13 0.00 0.00 52.55 52.04 3dle s ASP 76 Cb -0.12 -2.37 0.29 0.00 -1.45 0.00 0.00 42.92 39.26 3dle s ASP 76 CO 0.02 -0.78 1.10 0.49 0.13 0.00 0.00 175.17 176.13 3dle n PHE 77 N 5.51 0.60 -0.28 -5.34 3.01 -1.26 -4.30 117.46 115.39 3dle n PHE 77 Ca 0.30 -0.24 0.10 0.00 1.01 0.00 0.00 57.45 58.63 3dle n PHE 77 Cb 0.44 -0.13 0.25 0.00 -0.01 0.00 0.00 39.48 40.03 3dle n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dle h ARG 78 N 1.62 0.22 -0.13 -1.08 3.08 -1.89 0.82 114.38 117.03 3dle h ARG 78 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3dle h ARG 78 Cb 0.73 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 3dle h ARG 78 CO 0.09 0.15 -0.12 1.49 -1.07 0.00 0.00 179.97 180.51 3dle h GLU 79 N 0.23 0.31 -0.76 0.04 4.57 -2.00 -1.47 114.58 115.49 3dle h GLU 79 Ca 0.50 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.47 3dle h GLU 79 Cb 0.96 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.52 3dle h GLU 79 CO -0.61 0.70 0.26 1.25 -1.18 0.00 0.00 179.01 179.43 3dle h LEU 80 N -0.08 1.09 -0.65 1.64 5.85 -1.60 -2.22 115.31 119.34 3dle h LEU 80 Ca 0.02 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.58 3dle h LEU 80 Cb 0.65 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3dle h LEU 80 CO 0.03 1.00 0.38 0.78 -0.34 0.00 0.00 178.44 180.29 3dle h ASN 81 N 1.13 0.60 0.21 1.25 4.21 0.74 0.82 115.58 124.53 3dle h ASN 81 Ca 0.25 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.74 3dle h ASN 81 Cb 0.28 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 3dle h ASN 81 CO -0.01 0.40 -0.14 0.11 -1.29 0.00 0.00 177.43 176.50 3dle h LYS 82 N 0.73 0.00 -0.01 0.81 1.57 -0.72 -2.46 116.57 116.49 3dle h LYS 82 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3dle h LYS 82 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3dle h LYS 82 CO -0.14 0.14 -0.35 0.54 -0.57 0.00 0.00 179.45 179.07 3dle n ARG 83 N -4.07 1.22 -2.85 3.15 1.74 -0.52 -4.93 116.66 110.40 3dle n ARG 83 Ca -0.02 -0.93 -0.41 0.00 -0.77 0.00 0.00 57.85 55.72 3dle n ARG 83 Cb 0.22 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 3dle n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dle s THR 84 N -2.42 4.80 1.00 0.55 2.01 0.17 0.15 115.64 121.89 3dle s THR 84 Ca 0.22 1.83 -0.19 0.00 0.31 0.00 0.00 61.69 63.86 3dle s THR 84 Cb 0.19 -4.21 -0.11 0.00 0.01 0.00 0.00 72.50 68.37 3dle s THR 84 CO 0.52 0.26 -0.73 0.00 -0.69 0.00 0.00 174.62 173.98 3dle n GLN 85 N 3.38 -0.16 -3.60 4.92 10.64 -0.32 -4.64 117.38 127.60 3dle n GLN 85 Ca 0.02 -0.04 -0.22 0.00 -1.83 0.00 0.00 57.00 54.93 3dle n GLN 85 Cb 0.50 -1.19 -0.01 0.00 -0.86 0.00 0.00 30.24 28.69 3dle n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3dle s ASP 86 N -1.22 6.22 0.00 2.61 1.01 -1.26 -4.96 116.67 119.07 3dle s ASP 86 Ca 0.43 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.89 3dle s ASP 86 Cb -0.11 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 42.00 3dle s ASP 86 CO 0.75 -0.25 0.00 0.49 0.21 0.00 0.00 175.17 176.37 3dle n PHE 87 N -1.64 0.00 -2.13 4.23 3.72 -1.26 -5.14 117.46 115.25 3dle n PHE 87 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3dle n PHE 87 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3dle n PHE 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dle n GLY 93 N 3.82 -0.55 3.60 1.37 0.00 -1.26 -5.24 105.19 106.93 3dle n GLY 93 Ca 0.00 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 3dle n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dle s ILE 94 N -3.42 4.34 0.05 -0.61 -1.09 -1.26 -4.99 121.20 114.21 3dle s ILE 94 Ca 0.00 -0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 57.91 3dle s ILE 94 Cb 0.00 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 3dle s ILE 94 CO 0.00 0.52 0.97 -2.16 -1.23 0.00 0.00 174.94 173.03 3dle s PRO 95 N -0.01 4.62 -0.20 2.79 0.04 -1.26 -5.04 135.00 135.94 3dle s PRO 95 Ca 0.03 1.42 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 3dle s PRO 95 Cb -0.13 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 3dle s PRO 95 CO 0.02 0.07 0.36 -1.58 0.04 0.00 0.00 177.00 175.90 3dle s HIS 96 N 0.57 3.38 -0.37 0.56 2.46 -1.26 -4.87 115.29 115.76 3dle s HIS 96 Ca 0.50 0.57 -0.18 0.00 0.47 0.00 0.00 55.06 56.42 3dle s HIS 96 Cb -0.22 -2.47 0.00 0.00 -0.13 0.00 0.00 32.58 29.76 3dle s HIS 96 CO 0.29 0.03 0.49 -1.25 -2.47 0.00 0.00 174.74 171.82 3dle s PRO 97 N 1.17 3.48 0.29 2.88 0.04 -1.26 -4.95 135.00 136.65 3dle s PRO 97 Ca 0.17 -0.33 0.20 0.00 0.04 0.00 0.00 61.00 61.08 3dle s PRO 97 Cb -0.14 -3.85 1.06 0.00 0.04 0.00 0.00 34.50 31.61 3dle s PRO 97 CO 0.07 -0.70 1.60 0.00 0.04 0.00 0.00 177.00 178.01 3dle n ALA 98 N 5.71 1.04 0.28 8.56 0.00 -1.26 -1.52 120.51 133.32 3dle n ALA 98 Ca -0.06 0.18 0.16 0.00 0.00 0.00 0.00 53.44 53.72 3dle n ALA 98 Cb 0.49 -1.29 0.56 0.00 0.00 0.00 0.00 19.45 19.21 3dle n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dle h GLY 99 N 0.02 0.00 0.43 0.00 0.00 -1.96 -3.30 103.07 98.25 3dle h GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dle h GLY 99 CO 0.00 0.00 -0.43 -2.00 0.00 0.00 0.00 176.54 174.11 3dle h LEU 100 N 0.00 -1.21 -2.11 3.11 5.85 -1.59 -1.77 115.31 117.59 3dle h LEU 100 Ca 0.00 0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.92 3dle h LEU 100 Cb 0.61 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3dle h LEU 100 CO 0.00 -0.54 0.28 0.07 -0.34 0.00 0.00 178.44 177.90 3dle h LYS 101 N -0.77 0.00 -0.43 1.25 2.10 -1.75 -1.92 116.57 115.06 3dle h LYS 101 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3dle h LYS 101 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 3dle h LYS 101 CO -0.15 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 178.93 3dle n LYS 102 N -3.99 1.17 -4.02 0.07 4.76 -0.67 -3.84 118.16 111.64 3dle n LYS 102 Ca 0.04 -0.18 -0.35 0.00 -2.87 0.00 0.00 58.31 54.95 3dle n LYS 102 Cb 0.43 -1.25 -0.07 0.00 -1.84 0.00 0.00 35.03 32.31 3dle n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3dle s LYS 103 N -1.60 3.27 0.16 1.97 -0.14 -0.72 -4.92 119.74 117.75 3dle s LYS 103 Ca 0.03 -0.31 -0.15 0.00 -1.36 0.00 0.00 55.97 54.18 3dle s LYS 103 Cb 0.02 -3.02 0.08 0.00 -1.68 0.00 0.00 37.83 33.23 3dle s LYS 103 CO 0.02 0.71 1.76 0.87 -0.76 0.00 0.00 175.35 177.95 3dle h LYS 104 N 4.53 0.33 -4.61 1.68 1.57 -1.82 -3.32 116.57 114.93 3dle h LYS 104 Ca -0.51 -0.02 -0.36 0.00 -1.87 0.00 0.00 60.65 57.89 3dle h LYS 104 Cb 1.20 -0.07 -0.27 0.00 0.08 0.00 0.00 32.23 33.17 3dle h LYS 104 CO 0.61 0.22 -0.76 -1.12 -0.57 0.00 0.00 179.45 177.82 3dle s SER 105 N -5.40 0.92 -0.04 0.86 0.01 -0.96 -4.18 113.70 104.92 3dle s SER 105 Ca -0.13 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.91 3dle s SER 105 Cb 0.12 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.30 3dle s SER 105 CO 0.72 0.04 -0.00 -0.69 0.41 0.00 0.00 173.24 173.72 3dle s VAL 106 N -0.41 0.24 -0.04 3.43 1.01 -0.23 -2.11 120.40 122.29 3dle s VAL 106 Ca 0.01 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.13 3dle s VAL 106 Cb -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3dle s VAL 106 CO -0.00 0.17 -0.21 -0.89 0.00 0.00 0.00 175.10 174.18 3dle s THR 107 N 1.21 2.48 -0.09 3.92 2.01 -0.13 0.68 115.64 125.72 3dle s THR 107 Ca -0.07 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 3dle s THR 107 Cb -0.13 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 3dle s THR 107 CO -0.02 0.58 0.27 -0.69 -0.69 0.00 0.00 174.62 174.07 3dle s VAL 108 N -0.59 5.29 -0.05 3.82 1.01 -1.26 -0.87 120.40 127.75 3dle s VAL 108 Ca 0.09 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.61 3dle s VAL 108 Cb -0.11 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3dle s VAL 108 CO 0.00 0.54 -0.16 -0.76 0.00 0.00 0.00 175.10 174.72 3dle s LEU 109 N -0.63 1.87 -0.68 3.92 1.43 0.69 -4.94 118.68 120.34 3dle s LEU 109 Ca 0.18 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.70 3dle s LEU 109 Cb -0.14 -0.96 0.07 0.00 0.03 0.00 0.00 46.19 45.19 3dle s LEU 109 CO 0.07 0.13 0.99 -0.62 0.23 0.00 0.00 176.35 177.15 3dle s ASP 110 N 0.18 6.19 -0.58 2.29 3.68 -1.26 -0.95 116.67 126.22 3dle s ASP 110 Ca -0.07 -1.01 -0.00 0.00 2.13 0.00 0.00 52.55 53.60 3dle s ASP 110 Cb -0.13 -2.43 0.49 0.00 -1.45 0.00 0.00 42.92 39.41 3dle s ASP 110 CO 0.03 -1.45 1.99 1.33 0.13 0.00 0.00 175.17 177.20 3dle n VAL 111 N 5.94 3.44 0.14 1.11 0.24 0.80 -4.63 118.33 125.36 3dle n VAL 111 Ca -0.02 -2.54 0.01 0.00 -2.04 0.00 0.00 64.34 59.74 3dle n VAL 111 Cb 0.46 -0.98 0.33 0.00 -1.47 0.00 0.00 33.84 32.18 3dle n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3dle h GLY 112 N 1.77 0.16 2.00 7.63 0.00 -1.90 -3.07 103.07 109.66 3dle h GLY 112 Ca 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 3dle h GLY 112 CO 1.40 0.12 -0.10 -0.55 0.00 0.00 0.00 176.54 177.40 3dle h ASP 113 N 0.13 0.00 -0.46 0.19 5.19 -1.94 -3.08 116.42 116.46 3dle h ASP 113 Ca 0.02 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.56 3dle h ASP 113 Cb 0.62 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 3dle h ASP 113 CO 0.04 0.10 0.36 0.00 -3.12 0.00 0.00 179.24 176.63 3dle h ALA 114 N 1.90 2.33 0.00 3.45 0.00 -1.92 -2.13 119.26 122.90 3dle h ALA 114 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3dle h ALA 114 Cb 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3dle h ALA 114 CO 0.01 -0.60 -0.49 1.88 0.00 0.00 0.00 179.25 180.05 3dle h TYR 115 N 0.00 0.00 0.00 0.00 0.05 -1.77 -3.28 116.97 111.97 3dle h TYR 115 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 3dle h TYR 115 Cb 0.94 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.68 3dle h TYR 115 CO 0.00 0.49 0.01 1.19 -1.05 0.00 0.00 178.16 178.80 3dle n PHE 116 N -3.42 0.00 -0.03 4.88 0.99 -0.80 -1.44 117.46 117.64 3dle n PHE 116 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 3dle n PHE 116 Cb 0.63 -0.10 -0.14 0.00 -1.00 0.00 0.00 39.48 38.88 3dle n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3dle n SER 117 N -1.07 0.25 -4.74 4.37 7.64 -1.24 -4.93 113.62 113.91 3dle n SER 117 Ca 0.00 0.11 -0.36 0.00 1.01 0.00 0.00 58.87 59.63 3dle n SER 117 Cb 0.01 1.11 -0.07 0.00 -1.01 0.00 0.00 64.21 64.25 3dle n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dle s VAL 118 N -2.99 5.33 0.56 0.44 1.01 -0.52 -4.99 120.40 119.23 3dle s VAL 118 Ca -0.07 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 3dle s VAL 118 Cb 0.10 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3dle s VAL 118 CO 0.85 0.42 1.05 -2.16 0.00 0.00 0.00 175.10 175.25 3dle s PRO 119 N 0.33 3.50 -0.13 2.72 0.04 -1.26 -1.90 135.00 138.30 3dle s PRO 119 Ca 0.15 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 3dle s PRO 119 Cb -0.13 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3dle s PRO 119 CO 0.03 -0.66 0.11 -1.17 0.04 0.00 0.00 177.00 175.35 3dle s LEU 120 N -4.17 4.20 0.07 -3.56 2.96 0.26 -4.60 118.68 113.84 3dle s LEU 120 Ca 0.64 0.35 -0.36 0.00 -0.22 0.00 0.00 54.13 54.55 3dle s LEU 120 Cb -0.16 -2.03 -0.18 0.00 0.50 0.00 0.00 46.19 44.32 3dle s LEU 120 CO 0.32 0.35 0.99 -0.67 -1.32 0.00 0.00 176.35 176.01 3dle n ASP 121 N 2.39 0.05 -0.14 3.68 2.03 -1.26 -4.80 116.55 118.50 3dle n ASP 121 Ca -0.19 1.15 -0.08 0.00 0.52 0.00 0.00 54.79 56.19 3dle n ASP 121 Cb 0.54 -0.99 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 3dle n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3dle h GLU 122 N 2.75 -0.24 0.00 -0.67 4.81 -1.94 -2.51 114.58 116.78 3dle h GLU 122 Ca -0.45 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3dle h GLU 122 Cb 1.41 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.85 3dle h GLU 122 CO 0.65 -0.16 0.00 -0.44 -0.73 0.00 0.00 179.01 178.33 3dle h ASP 123 N -0.25 0.00 0.71 1.04 5.19 -1.95 -3.18 116.42 117.98 3dle h ASP 123 Ca 0.18 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.44 3dle h ASP 123 Cb 0.55 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 3dle h ASP 123 CO -0.57 0.00 -1.39 0.33 -3.12 0.00 0.00 179.24 174.49 3dle n PHE 124 N -2.55 0.95 -0.31 4.55 7.35 -0.97 -4.46 117.46 122.01 3dle n PHE 124 Ca 0.02 0.31 0.06 0.00 -0.76 0.00 0.00 57.45 57.08 3dle n PHE 124 Cb 0.30 -1.06 0.15 0.00 0.35 0.00 0.00 39.48 39.22 3dle n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dle h ARG 125 N 0.00 0.02 -1.05 -4.13 3.08 -1.46 -1.66 114.38 109.18 3dle h ARG 125 Ca -0.14 -0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.19 3dle h ARG 125 Cb 1.50 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.49 3dle h ARG 125 CO 0.04 0.01 0.72 1.57 -1.07 0.00 0.00 179.97 181.24 3dle h LYS 126 N 0.02 0.16 0.00 0.04 2.10 -1.80 0.12 116.57 117.20 3dle h LYS 126 Ca 0.45 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 3dle h LYS 126 Cb 0.75 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 3dle h LYS 126 CO -0.88 0.11 0.00 0.66 -2.00 0.00 0.00 179.45 177.34 3dle n TYR 127 N -4.38 0.00 0.48 0.07 4.01 -0.63 -2.14 117.16 114.58 3dle n TYR 127 Ca 0.23 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.09 3dle n TYR 127 Cb 1.01 -0.32 0.22 0.00 -0.31 0.00 0.00 39.34 39.94 3dle n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3dle n THR 128 N -1.32 0.41 -1.61 -0.72 -2.24 0.41 -4.69 114.28 104.53 3dle n THR 128 Ca 0.05 -0.68 -0.46 0.00 -2.27 0.00 0.00 64.05 60.69 3dle n THR 128 Cb 0.10 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 3dle n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dle n ALA 129 N 1.38 -0.12 -2.39 6.98 0.00 -0.91 -4.45 120.51 121.01 3dle n ALA 129 Ca 0.19 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.96 3dle n ALA 129 Cb 0.58 -2.08 -0.08 0.00 0.00 0.00 0.00 19.45 17.87 3dle n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3dle s PHE 130 N -0.52 0.34 -0.05 0.00 -0.12 0.08 -1.58 117.98 116.13 3dle s PHE 130 Ca 0.66 -0.80 0.02 0.00 -0.05 0.00 0.00 56.93 56.76 3dle s PHE 130 Cb -0.74 -0.19 0.01 0.00 -0.63 0.00 0.00 43.02 41.47 3dle s PHE 130 CO 0.55 -0.50 -0.10 0.99 -0.05 0.00 0.00 175.22 176.11 3dle s THR 131 N -3.90 0.91 -0.29 -4.49 2.01 -1.26 -1.80 115.64 106.82 3dle s THR 131 Ca 0.08 -0.37 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 3dle s THR 131 Cb 0.06 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 3dle s THR 131 CO -0.09 0.30 0.62 -0.63 -0.69 0.00 0.00 174.62 174.13 3dle s ILE 132 N 0.59 4.96 1.21 1.82 1.01 -0.90 -4.72 121.20 125.18 3dle s ILE 132 Ca -0.11 0.92 -0.19 0.00 0.00 0.00 0.00 60.65 61.27 3dle s ILE 132 Cb -0.14 -3.97 0.29 0.00 0.01 0.00 0.00 42.46 38.66 3dle s ILE 132 CO 0.02 -0.08 1.10 -2.16 0.00 0.00 0.00 174.94 173.82 3dle s PRO 133 N 2.55 -1.32 0.05 2.79 0.04 -1.26 -1.65 135.00 136.21 3dle s PRO 133 Ca 0.25 -0.07 0.02 0.00 0.04 0.00 0.00 61.00 61.23 3dle s PRO 133 Cb -0.15 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 3dle s PRO 133 CO 0.11 -3.77 -0.06 -1.54 0.04 0.00 0.00 177.00 171.77 3dle s SER 134 N -3.88 0.78 0.05 6.66 1.04 -1.26 -4.81 113.70 112.28 3dle s SER 134 Ca 0.71 -0.65 -0.31 0.00 0.48 0.00 0.00 55.95 56.18 3dle s SER 134 Cb -0.10 0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.03 3dle s SER 134 CO 0.56 -0.29 1.33 -0.63 0.98 0.00 0.00 173.24 175.19 3dle s ILE 135 N -1.97 3.70 0.00 -1.02 1.01 -1.26 -2.97 121.20 118.70 3dle s ILE 135 Ca -0.06 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.76 3dle s ILE 135 Cb -0.06 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.66 3dle s ILE 135 CO -0.01 0.05 0.00 -3.20 0.00 0.00 0.00 174.94 171.77 3dle n ASN 136 N 4.57 -3.72 -0.68 3.58 5.15 -1.26 -2.53 115.26 120.36 3dle n ASN 136 Ca 0.11 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.01 3dle n ASN 136 Cb 0.44 -2.96 -0.04 0.00 -0.53 0.00 0.00 39.78 36.70 3dle n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3dle n ASN 137 N -0.60 -4.48 -0.71 1.20 3.02 -1.16 -4.83 115.26 107.71 3dle n ASN 137 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3dle n ASN 137 Cb 0.30 -2.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.71 3dle n ASN 137 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dle n GLU 138 N -2.20 0.64 -3.62 3.52 1.02 -1.05 -4.61 120.64 114.34 3dle n GLU 138 Ca -0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.98 3dle n GLU 138 Cb 0.36 -1.26 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 3dle n GLU 138 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3dle s THR 139 N -0.42 0.00 0.66 2.62 2.01 -1.26 -5.05 115.64 114.20 3dle s THR 139 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 3dle s THR 139 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 3dle s THR 139 CO 0.00 0.00 1.06 -2.84 -0.69 0.00 0.00 174.62 172.15 3dle s PRO 140 N -0.43 3.05 0.85 4.92 0.02 -1.26 -4.66 135.00 137.48 3dle s PRO 140 Ca 0.04 1.09 -0.10 0.00 0.02 0.00 0.00 61.00 62.04 3dle s PRO 140 Cb -0.03 -2.00 0.10 0.00 0.02 0.00 0.00 34.50 32.59 3dle s PRO 140 CO -0.06 -1.02 1.11 0.20 -0.33 0.00 0.00 177.00 176.90 3dle s GLY 141 N -3.30 1.67 -0.49 0.52 0.00 -1.26 -4.82 107.32 99.64 3dle s GLY 141 Ca 0.61 0.36 -0.14 0.00 0.00 0.00 0.00 44.72 45.55 3dle s GLY 141 CO 0.47 0.76 0.42 -0.42 0.00 0.00 0.00 173.10 174.33 3dle s ILE 142 N -2.80 5.02 0.29 0.90 1.01 -0.66 -4.90 121.20 120.07 3dle s ILE 142 Ca 0.64 -1.34 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 3dle s ILE 142 Cb -0.20 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 3dle s ILE 142 CO 0.57 -0.71 0.87 -0.13 0.00 0.00 0.00 174.94 175.54 3dle s ARG 143 N 1.58 4.48 0.19 2.79 1.81 -1.26 -2.11 118.95 126.42 3dle s ARG 143 Ca 0.04 1.18 -0.11 0.00 -1.72 0.00 0.00 55.73 55.11 3dle s ARG 143 Cb -0.27 -2.85 -0.00 0.00 -0.45 0.00 0.00 34.95 31.39 3dle s ARG 143 CO 0.04 0.33 0.37 0.71 -0.68 0.00 0.00 175.30 176.07 3dle s TYR 144 N -1.57 0.31 0.15 -0.53 2.02 -0.75 -2.86 117.35 114.12 3dle s TYR 144 Ca 0.47 -0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 56.42 3dle s TYR 144 Cb -0.18 0.07 -0.00 0.00 -0.40 0.00 0.00 41.96 41.45 3dle s TYR 144 CO 0.23 -0.82 0.28 1.14 -1.57 0.00 0.00 175.55 174.82 3dle s GLN 145 N -3.97 1.10 0.34 -0.62 -2.07 -0.99 -0.74 119.66 112.72 3dle s GLN 145 Ca 0.17 -1.09 -0.03 0.00 -1.82 0.00 0.00 55.36 52.59 3dle s GLN 145 Cb 0.02 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.28 3dle s GLN 145 CO 0.02 -0.40 0.58 0.71 -1.32 0.00 0.00 175.29 174.88 3dle s TYR 146 N -3.93 3.50 -0.03 9.60 1.51 -1.26 -1.90 117.35 124.84 3dle s TYR 146 Ca 0.14 0.55 0.04 0.00 -1.01 0.00 0.00 57.07 56.78 3dle s TYR 146 Cb 0.03 -2.04 -0.06 0.00 -0.11 0.00 0.00 41.96 39.78 3dle s TYR 146 CO -0.03 0.09 0.06 0.09 -1.11 0.00 0.00 175.55 174.65 3dle n ASN 147 N -1.45 3.94 -4.53 2.29 5.03 -0.42 -4.69 115.26 115.43 3dle n ASN 147 Ca -0.03 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.17 3dle n ASN 147 Cb 0.55 0.89 -0.10 0.00 -1.02 0.00 0.00 39.78 40.10 3dle n ASN 147 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3dle s VAL 148 N -2.21 2.42 -0.08 2.41 -7.23 -1.21 0.88 120.40 115.39 3dle s VAL 148 Ca -0.02 -2.24 -0.37 0.00 -1.81 0.00 0.00 61.98 57.54 3dle s VAL 148 Cb 0.02 -2.55 -0.15 0.00 0.56 0.00 0.00 36.38 34.27 3dle s VAL 148 CO 0.18 -0.28 1.64 0.18 -0.31 0.00 0.00 175.10 176.52 3dle n LEU 149 N -0.75 2.52 -4.84 1.32 4.77 -0.80 -4.64 117.00 114.58 3dle n LEU 149 Ca -0.05 1.07 -0.34 0.00 -0.03 0.00 0.00 56.01 56.66 3dle n LEU 149 Cb 0.62 -1.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.41 3dle n LEU 149 CO 0.41 -0.49 0.36 -2.16 -1.33 0.00 0.00 177.39 174.18 3dle s PRO 150 N 2.47 4.05 0.38 3.23 0.04 -1.26 -4.31 135.00 139.60 3dle s PRO 150 Ca 0.91 0.64 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 3dle s PRO 150 Cb -0.90 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 30.86 3dle s PRO 150 CO 0.54 0.31 1.21 -0.65 0.04 0.00 0.00 177.00 178.44 3dle s GLN 151 N -2.47 4.13 0.00 4.56 -0.21 -1.26 -3.05 119.66 121.36 3dle s GLN 151 Ca 0.47 1.96 0.00 0.00 0.02 0.00 0.00 55.36 57.81 3dle s GLN 151 Cb -0.13 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 31.08 3dle s GLN 151 CO 0.19 -0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 3dle n GLY 152 N 0.72 1.76 3.74 3.09 0.00 -1.26 -4.74 105.19 108.49 3dle n GLY 152 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3dle n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dle s TRP 153 N -2.71 3.71 0.33 1.61 -0.00 -1.17 -4.60 118.94 116.11 3dle s TRP 153 Ca 0.00 1.44 0.06 0.00 -0.00 0.00 0.00 56.10 57.60 3dle s TRP 153 Cb 0.00 -2.83 0.72 0.00 -0.00 0.00 0.00 33.47 31.36 3dle s TRP 153 CO 0.00 0.23 1.85 -0.22 -0.00 0.00 0.00 176.95 178.82 3dle h LYS 154 N 5.88 0.78 0.00 5.86 3.64 -1.91 -2.14 116.57 128.68 3dle h LYS 154 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3dle h LYS 154 Cb 1.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3dle h LYS 154 CO 0.72 0.52 0.00 0.41 -2.27 0.00 0.00 179.45 178.82 3dle n GLY 155 N -1.40 -1.32 0.30 5.01 0.00 -1.26 -4.07 105.19 102.45 3dle n GLY 155 Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3dle n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dle h SER 156 N 0.00 -0.62 -0.28 1.61 0.02 -1.68 -1.63 113.55 110.97 3dle h SER 156 Ca 0.00 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3dle h SER 156 Cb 0.43 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3dle h SER 156 CO 0.00 -0.33 0.20 1.55 -1.14 0.00 0.00 176.83 177.11 3dle h PRO 157 N -0.96 0.12 -0.25 3.45 0.13 -1.75 0.36 132.00 133.10 3dle h PRO 157 Ca -0.07 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 3dle h PRO 157 Cb 0.56 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 3dle h PRO 157 CO 0.12 0.08 -0.15 0.00 -0.23 0.00 0.00 178.00 177.82 3dle h ALA 158 N 1.85 0.35 -0.04 -0.56 0.00 -1.70 -1.56 119.26 117.61 3dle h ALA 158 Ca 0.13 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3dle h ALA 158 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dle h ALA 158 CO -0.02 0.24 -0.82 0.82 0.00 0.00 0.00 179.25 179.47 3dle h ILE 159 N 0.26 1.40 -0.35 0.00 2.04 -0.71 -2.74 117.51 117.42 3dle h ILE 159 Ca 0.05 -2.31 -0.07 0.00 1.00 0.00 0.00 64.86 63.53 3dle h ILE 159 Cb 0.67 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 3dle h ILE 159 CO 0.04 0.69 0.09 0.33 0.00 0.00 0.00 178.15 179.30 3dle n PHE 160 N -3.78 1.21 0.04 1.37 -0.00 0.06 -4.26 117.46 112.11 3dle n PHE 160 Ca -0.05 -0.59 -0.12 0.00 -0.00 0.00 0.00 57.45 56.68 3dle n PHE 160 Cb 0.76 -0.39 -0.09 0.00 -0.00 0.00 0.00 39.48 39.76 3dle n PHE 160 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 3dle h GLN 161 N 1.66 -0.13 -0.78 -4.13 5.75 -0.95 -2.51 115.11 114.01 3dle h GLN 161 Ca 0.09 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.68 3dle h GLN 161 Cb 1.45 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.98 3dle h GLN 161 CO 0.34 0.31 0.51 0.66 -2.65 0.00 0.00 178.83 178.00 3dle h SER 162 N -0.64 0.69 1.52 -0.69 4.64 -1.80 -1.01 113.55 116.27 3dle h SER 162 Ca -0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dle h SER 162 Cb 0.51 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3dle h SER 162 CO 0.02 0.43 0.00 0.28 -0.87 0.00 0.00 176.83 176.70 3dle h SER 163 N 0.78 0.00 0.31 4.97 0.02 -1.84 -2.93 113.55 114.86 3dle h SER 163 Ca 0.35 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.97 3dle h SER 163 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3dle h SER 163 CO -0.13 0.00 -1.70 0.24 -1.14 0.00 0.00 176.83 174.10 3dle h MET 164 N 0.00 0.29 -0.32 3.45 2.07 -0.73 -3.03 114.93 116.65 3dle h MET 164 Ca 0.00 -0.49 -0.12 0.00 -2.07 0.00 0.00 59.70 57.02 3dle h MET 164 Cb 0.76 0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.67 3dle h MET 164 CO 0.00 1.16 -0.26 1.79 1.07 0.00 0.00 176.91 180.67 3dle h THR 165 N 0.08 1.29 -0.39 2.22 1.35 -1.49 -1.27 112.91 114.69 3dle h THR 165 Ca -0.31 -1.41 0.05 0.00 -0.55 0.00 0.00 66.41 64.18 3dle h THR 165 Cb 2.05 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 69.91 3dle h THR 165 CO 0.15 0.46 0.14 0.50 -0.25 0.00 0.00 175.52 176.52 3dle h LYS 166 N 0.51 0.29 0.00 4.72 3.64 -1.64 0.57 116.57 124.66 3dle h LYS 166 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3dle h LYS 166 Cb 0.82 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3dle h LYS 166 CO 0.07 0.19 0.00 -0.84 -2.27 0.00 0.00 179.45 176.60 3dle h ILE 167 N 0.30 0.00 0.00 2.00 3.07 -1.52 -3.30 117.51 118.06 3dle h ILE 167 Ca 0.18 -0.79 -0.26 0.00 1.55 0.00 0.00 64.86 65.54 3dle h ILE 167 Cb 0.16 1.79 -0.05 0.00 -0.27 0.00 0.00 36.82 38.45 3dle h ILE 167 CO -0.18 0.00 -1.84 0.18 -1.05 0.00 0.00 178.15 175.26 3dle n LEU 168 N -2.78 0.56 -0.25 0.16 4.77 -0.48 -4.49 117.00 114.49 3dle n LEU 168 Ca 0.05 0.26 0.03 0.00 -0.03 0.00 0.00 56.01 56.31 3dle n LEU 168 Cb 0.49 0.23 0.12 0.00 -2.33 0.00 0.00 43.42 41.92 3dle n LEU 168 CO 0.32 0.33 0.77 -0.08 -1.33 0.00 0.00 177.39 177.40 3dle h GLU 169 N 0.00 0.04 -0.75 3.23 4.81 0.04 -1.16 114.58 120.79 3dle h GLU 169 Ca -0.31 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.00 3dle h GLU 169 Cb 1.90 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 31.20 3dle h GLU 169 CO 0.05 0.03 0.40 -1.35 -0.73 0.00 0.00 179.01 177.41 3dle h PRO 170 N 0.05 0.67 -0.07 0.92 0.11 -1.79 0.34 132.00 132.23 3dle h PRO 170 Ca 0.37 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.31 3dle h PRO 170 Cb 0.62 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3dle h PRO 170 CO -0.70 0.45 -0.56 0.35 -0.21 0.00 0.00 178.00 177.33 3dle h PHE 171 N 0.69 0.29 -0.02 0.65 3.57 -1.56 0.13 116.94 120.70 3dle h PHE 171 Ca 0.36 -0.10 -0.17 0.00 3.53 0.00 0.00 57.97 61.59 3dle h PHE 171 Cb 0.33 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3dle h PHE 171 CO -0.08 0.74 -0.75 0.00 -2.23 0.00 0.00 178.31 175.98 3dle h ARG 172 N 0.17 0.13 0.05 1.11 3.08 -0.44 -1.12 114.38 117.36 3dle h ARG 172 Ca -0.00 -0.12 -0.19 0.00 0.07 0.00 0.00 59.98 59.75 3dle h ARG 172 Cb 1.04 0.03 0.02 0.00 0.08 0.00 0.00 29.97 31.14 3dle h ARG 172 CO 0.09 0.82 -0.76 0.87 -1.07 0.00 0.00 179.97 179.92 3dle h LYS 173 N 0.08 0.43 0.00 0.04 1.79 -0.16 -2.80 116.57 115.94 3dle h LYS 173 Ca -0.02 -0.52 -0.03 0.00 -2.18 0.00 0.00 60.65 57.89 3dle h LYS 173 Cb 1.32 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 32.13 3dle h LYS 173 CO 0.11 1.19 -0.15 1.96 -1.08 0.00 0.00 179.45 181.48 3dle h GLN 174 N -0.10 0.00 -2.75 3.15 4.20 -0.73 -3.34 115.11 115.55 3dle h GLN 174 Ca -0.11 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.00 3dle h GLN 174 Cb 1.49 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.88 3dle h GLN 174 CO 0.15 0.15 -0.81 -0.80 -0.67 0.00 0.00 178.83 176.85 3dle s ASN 175 N -6.81 3.11 0.00 1.46 -0.87 -0.43 -4.97 114.94 106.44 3dle s ASN 175 Ca -0.04 -2.60 0.23 0.00 -1.57 0.00 0.00 52.86 48.88 3dle s ASN 175 Cb 0.15 -0.74 1.21 0.00 -0.02 0.00 0.00 41.25 41.86 3dle s ASN 175 CO 0.67 -0.26 1.80 -0.81 -2.57 0.00 0.00 177.10 175.92 3dle n PRO 176 N 3.54 1.19 -0.09 -0.60 -0.04 -1.06 -3.32 135.00 134.61 3dle n PRO 176 Ca 0.14 -0.28 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 3dle n PRO 176 Cb 0.38 -1.37 0.15 0.00 -0.04 0.00 0.00 33.50 32.62 3dle n PRO 176 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3dle n ASP 177 N -0.55 3.23 -4.45 3.54 2.03 -1.26 -4.90 116.55 114.18 3dle n ASP 177 Ca 0.17 -1.99 -0.33 0.00 0.52 0.00 0.00 54.79 53.16 3dle n ASP 177 Cb 0.15 -0.12 -0.13 0.00 -0.72 0.00 0.00 41.12 40.29 3dle n ASP 177 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3dle s ILE 178 N -1.75 2.96 -0.11 5.18 1.01 -1.21 -4.68 121.20 122.60 3dle s ILE 178 Ca 0.33 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 3dle s ILE 178 Cb 0.21 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3dle s ILE 178 CO 0.31 0.59 -0.01 -0.69 0.00 0.00 0.00 174.94 175.13 3dle s VAL 179 N -0.65 4.18 -0.16 2.92 1.01 0.45 -4.97 120.40 123.19 3dle s VAL 179 Ca 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3dle s VAL 179 Cb -0.11 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.50 3dle s VAL 179 CO 0.01 0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 174.85 3dle s ILE 180 N -0.40 1.92 -0.05 2.22 1.01 -1.26 -0.12 121.20 124.52 3dle s ILE 180 Ca 0.07 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.91 3dle s ILE 180 Cb -0.12 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3dle s ILE 180 CO 0.02 0.52 -0.23 -0.47 0.00 0.00 0.00 174.94 174.78 3dle s TYR 181 N 1.17 2.23 -0.15 3.97 6.04 0.93 -4.96 117.35 126.57 3dle s TYR 181 Ca 0.01 -0.65 -0.00 0.00 0.04 0.00 0.00 57.07 56.46 3dle s TYR 181 Cb -0.14 -1.47 -0.01 0.00 -1.04 0.00 0.00 41.96 39.31 3dle s TYR 181 CO -0.09 -0.20 -0.13 -1.14 -1.54 0.00 0.00 175.55 172.46 3dle s GLN 182 N -0.12 3.31 -0.07 4.97 0.74 -1.26 0.75 119.66 127.97 3dle s GLN 182 Ca -0.03 -0.71 -0.00 0.00 0.05 0.00 0.00 55.36 54.67 3dle s GLN 182 Cb -0.13 -2.67 0.02 0.00 1.10 0.00 0.00 33.01 31.34 3dle s GLN 182 CO 0.03 0.08 -0.04 -0.47 -0.55 0.00 0.00 175.29 174.35 3dle s TYR 183 N 0.68 0.87 0.00 1.67 6.14 -0.87 -4.84 117.35 121.00 3dle s TYR 183 Ca -0.07 -0.29 0.00 0.00 0.64 0.00 0.00 57.07 57.35 3dle s TYR 183 Cb -0.15 -0.82 0.00 0.00 0.42 0.00 0.00 41.96 41.40 3dle s TYR 183 CO 0.02 -0.30 0.00 -1.33 0.64 0.00 0.00 175.55 174.58 3dle n MET 184 N 4.60 0.00 0.12 4.97 2.81 -1.26 -0.58 117.12 127.78 3dle n MET 184 Ca -0.16 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.86 3dle n MET 184 Cb 0.50 0.00 0.43 0.00 -0.71 0.00 0.00 33.22 33.45 3dle n MET 184 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3dle h ASP 185 N 1.64 0.00 -3.59 7.83 3.45 -1.92 -3.44 116.42 120.38 3dle h ASP 185 Ca 0.00 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.97 3dle h ASP 185 Cb 0.00 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.79 3dle h ASP 185 CO 0.00 0.00 0.10 -1.81 -1.57 0.00 0.00 179.24 175.96 3dle s ASP 186 N -4.54 6.36 -0.11 6.45 1.01 0.26 -0.14 116.67 125.94 3dle s ASP 186 Ca 0.08 0.98 -0.02 0.00 0.71 0.00 0.00 52.55 54.30 3dle s ASP 186 Cb 0.11 -2.27 0.04 0.00 1.01 0.00 0.00 42.92 41.81 3dle s ASP 186 CO 0.53 -0.50 0.02 -0.22 0.21 0.00 0.00 175.17 175.21 3dle s LEU 187 N -4.38 0.76 -0.32 1.23 2.96 -0.13 -2.05 118.68 116.74 3dle s LEU 187 Ca 0.48 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 3dle s LEU 187 Cb -0.10 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.09 3dle s LEU 187 CO 0.40 -0.24 0.22 -0.31 -1.32 0.00 0.00 176.35 175.10 3dle s TYR 188 N 1.95 3.22 -0.27 5.38 1.51 0.23 -0.23 117.35 129.14 3dle s TYR 188 Ca 0.03 -0.19 -0.06 0.00 -1.01 0.00 0.00 57.07 55.84 3dle s TYR 188 Cb -0.14 -2.44 -0.01 0.00 -0.11 0.00 0.00 41.96 39.27 3dle s TYR 188 CO -0.06 -0.33 0.05 0.08 -1.11 0.00 0.00 175.55 174.18 3dle s VAL 189 N 1.72 3.95 -0.02 0.71 1.01 -0.05 -0.05 120.40 127.67 3dle s VAL 189 Ca 0.06 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.61 3dle s VAL 189 Cb -0.17 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3dle s VAL 189 CO 0.10 0.22 -0.23 -0.83 0.00 0.00 0.00 175.10 174.36 3dle s GLY 190 N 1.53 1.15 0.31 4.51 0.00 0.83 -0.96 107.32 114.69 3dle s GLY 190 Ca 0.04 -1.00 -0.08 0.00 0.00 0.00 0.00 44.72 43.68 3dle s GLY 190 CO 0.02 -0.81 0.52 -1.35 0.00 0.00 0.00 173.10 171.48 3dle s SER 191 N -0.51 0.41 -0.05 1.64 1.04 -0.90 -0.41 113.70 114.93 3dle s SER 191 Ca 0.08 -1.24 0.16 0.00 0.48 0.00 0.00 55.95 55.43 3dle s SER 191 Cb -0.09 0.66 -0.24 0.00 0.10 0.00 0.00 66.02 66.45 3dle s SER 191 CO -0.01 -1.30 0.30 0.47 0.98 0.00 0.00 173.24 173.68 3dle n ASP 192 N -1.03 1.29 -3.01 7.02 9.92 -1.26 -2.27 116.55 127.20 3dle n ASP 192 Ca -0.01 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.97 3dle n ASP 192 Cb 0.61 1.57 0.03 0.00 -0.64 0.00 0.00 41.12 42.69 3dle n ASP 192 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3dle n LEU 193 N -2.16 -4.14 -4.74 0.64 4.77 -1.26 -4.77 117.00 105.35 3dle n LEU 193 Ca -0.07 0.21 -0.37 0.00 -0.03 0.00 0.00 56.01 55.75 3dle n LEU 193 Cb 0.54 -0.58 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3dle n LEU 193 CO 0.34 -4.31 0.90 -1.83 -1.33 0.00 0.00 177.39 171.15 3dle s GLU 194 N -1.33 2.72 0.04 3.23 4.04 -1.26 -4.54 118.70 121.59 3dle s GLU 194 Ca 0.32 2.02 -0.07 0.00 0.04 0.00 0.00 54.97 57.28 3dle s GLU 194 Cb -0.18 -1.91 -0.02 0.00 0.02 0.00 0.00 34.13 32.04 3dle s GLU 194 CO 0.59 -1.45 1.00 1.51 -1.84 0.00 0.00 175.26 175.07 3dle n ILE 195 N -1.73 -0.16 -0.18 1.83 0.13 -1.26 0.50 119.36 118.49 3dle n ILE 195 Ca 0.15 1.53 -0.01 0.00 -1.10 0.00 0.00 62.75 63.31 3dle n ILE 195 Cb 0.48 -1.98 0.07 0.00 -0.84 0.00 0.00 39.64 37.36 3dle n ILE 195 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3dle h GLY 196 N 0.00 0.50 2.00 4.50 0.00 -2.00 0.66 103.07 108.74 3dle h GLY 196 Ca 0.04 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 3dle h GLY 196 CO -0.22 -0.19 -0.30 -1.61 0.00 0.00 0.00 176.54 174.22 3dle h GLN 197 N 0.07 0.00 0.72 4.80 4.15 -1.52 -1.66 115.11 121.66 3dle h GLN 197 Ca 0.28 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 3dle h GLN 197 Cb 0.43 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.13 3dle h GLN 197 CO -0.51 0.30 -0.35 1.25 -1.93 0.00 0.00 178.83 177.60 3dle h HIS 198 N 0.00 -0.90 -0.80 3.99 2.76 0.22 -1.40 115.15 119.02 3dle h HIS 198 Ca -0.00 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.23 3dle h HIS 198 Cb 0.57 0.30 -0.07 0.00 1.55 0.00 0.00 27.41 29.76 3dle h HIS 198 CO 0.00 -0.55 0.46 0.00 -1.30 0.00 0.00 177.93 176.54 3dle h ARG 199 N -1.23 0.77 -0.39 5.26 3.08 -1.05 0.25 114.38 121.07 3dle h ARG 199 Ca -0.10 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3dle h ARG 199 Cb 0.75 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3dle h ARG 199 CO 0.16 0.51 0.16 1.15 -1.07 0.00 0.00 179.97 180.88 3dle h THR 200 N 0.80 1.15 0.00 2.04 2.02 -1.31 -1.13 112.91 116.48 3dle h THR 200 Ca 0.38 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 3dle h THR 200 Cb 0.31 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3dle h THR 200 CO -0.23 0.18 -0.23 0.50 0.37 0.00 0.00 175.52 176.12 3dle h LYS 201 N 0.55 0.00 0.26 6.66 1.63 0.18 -3.22 116.57 122.63 3dle h LYS 201 Ca 0.14 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 3dle h LYS 201 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3dle h LYS 201 CO -0.01 0.23 -0.13 0.82 -3.45 0.00 0.00 179.45 176.91 3dle h ILE 202 N 0.00 0.58 -1.06 2.00 1.08 -0.25 -3.15 117.51 116.72 3dle h ILE 202 Ca -0.00 -0.88 0.30 0.00 -0.39 0.00 0.00 64.86 63.88 3dle h ILE 202 Cb 0.77 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 35.41 3dle h ILE 202 CO 0.03 0.14 0.75 -0.33 -0.69 0.00 0.00 178.15 178.05 3dle h GLU 203 N -0.93 0.07 -0.96 2.37 4.39 -1.53 1.45 114.58 119.45 3dle h GLU 203 Ca -0.04 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.69 3dle h GLU 203 Cb 0.50 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 3dle h GLU 203 CO 0.06 0.05 0.63 1.49 -1.16 0.00 0.00 179.01 180.08 3dle h GLU 204 N 0.08 1.18 -0.06 2.33 4.81 -1.55 0.42 114.58 121.79 3dle h GLU 204 Ca 0.52 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.58 3dle h GLU 204 Cb 1.93 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 31.04 3dle h GLU 204 CO -0.06 0.78 -0.35 1.25 -0.73 0.00 0.00 179.01 179.91 3dle h LEU 205 N 1.22 0.41 0.05 1.64 6.46 0.19 -2.30 115.31 122.97 3dle h LEU 205 Ca 0.38 -0.67 0.03 0.00 -0.12 0.00 0.00 57.88 57.50 3dle h LEU 205 Cb -0.00 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.75 3dle h LEU 205 CO -0.11 1.01 -0.38 0.03 -0.62 0.00 0.00 178.44 178.37 3dle h ARG 206 N -0.16 -0.54 -0.66 1.25 3.08 -0.10 0.34 114.38 117.58 3dle h ARG 206 Ca -0.03 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.16 3dle h ARG 206 Cb 1.01 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.11 3dle h ARG 206 CO 0.07 -0.36 0.27 1.96 -1.07 0.00 0.00 179.97 180.84 3dle h GLN 207 N -0.57 0.44 -0.57 0.04 1.08 -0.27 0.89 115.11 116.16 3dle h GLN 207 Ca 0.04 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.27 3dle h GLN 207 Cb 0.63 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 3dle h GLN 207 CO -0.27 0.29 0.30 1.25 -0.95 0.00 0.00 178.83 179.45 3dle h HIS 208 N 0.45 0.55 -0.21 2.96 2.76 -0.64 -1.99 115.15 119.03 3dle h HIS 208 Ca 0.34 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.42 3dle h HIS 208 Cb 0.43 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3dle h HIS 208 CO -0.16 0.26 -0.36 -0.07 -1.30 0.00 0.00 177.93 176.31 3dle h LEU 209 N 0.57 0.47 -0.88 0.26 3.38 0.23 -3.04 115.31 116.29 3dle h LEU 209 Ca 0.25 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dle h LEU 209 Cb 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dle h LEU 209 CO -0.17 0.79 0.00 -0.11 0.09 0.00 0.00 178.44 179.04 3dle n LEU 210 N -4.05 0.45 -1.02 1.67 7.94 0.28 -2.79 117.00 119.47 3dle n LEU 210 Ca -0.01 -0.22 0.05 0.00 -1.11 0.00 0.00 56.01 54.71 3dle n LEU 210 Cb 0.47 -0.22 0.10 0.00 0.53 0.00 0.00 43.42 44.30 3dle n LEU 210 CO 0.43 0.11 0.21 -2.11 -1.11 0.00 0.00 177.39 174.93 3dle n ARG 211 N 0.15 0.69 0.11 1.96 1.85 -1.15 -5.03 116.66 115.25 3dle n ARG 211 Ca 0.00 -2.49 0.00 0.00 -1.00 0.00 0.00 57.85 54.36 3dle n ARG 211 Cb 0.11 -0.74 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 3dle n ARG 211 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 3dle n TRP 212 N -0.26 -2.12 -3.48 2.89 7.02 -1.12 -5.13 117.44 115.25 3dle n TRP 212 Ca 0.11 0.43 -0.27 0.00 -1.02 0.00 0.00 57.50 56.76 3dle n TRP 212 Cb 0.92 0.89 -0.10 0.00 -2.42 0.00 0.00 31.31 30.60 3dle n TRP 212 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3dle n GLU 233 N -3.18 0.71 -2.98 -0.99 4.07 -1.25 -4.99 120.64 112.03 3dle n GLU 233 Ca 0.00 -3.53 -0.24 0.00 -0.06 0.00 0.00 57.16 53.33 3dle n GLU 233 Cb 0.00 -1.77 0.01 0.00 -0.06 0.00 0.00 31.44 29.61 3dle n GLU 233 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3dle s LEU 234 N -0.55 3.69 -0.44 4.31 1.02 0.21 -4.89 118.68 122.04 3dle s LEU 234 Ca 0.32 0.43 0.05 0.00 0.02 0.00 0.00 54.13 54.95 3dle s LEU 234 Cb 0.04 -3.31 0.18 0.00 0.02 0.00 0.00 46.19 43.12 3dle s LEU 234 CO -0.17 -0.63 0.47 -1.00 0.02 0.00 0.00 176.35 175.04 3dle s HIS 235 N -2.56 0.11 0.26 0.29 3.76 -1.26 -1.06 115.29 114.83 3dle s HIS 235 Ca 0.47 -1.67 -0.02 0.00 -0.15 0.00 0.00 55.06 53.69 3dle s HIS 235 Cb -0.10 -0.47 0.44 0.00 1.11 0.00 0.00 32.58 33.55 3dle s HIS 235 CO 0.39 -0.99 1.86 -1.35 -0.85 0.00 0.00 174.74 173.80 3dle h PRO 236 N 5.49 1.02 -0.49 8.40 0.11 -1.74 -2.47 132.00 142.32 3dle h PRO 236 Ca 0.19 -0.06 0.13 0.00 0.11 0.00 0.00 66.00 66.37 3dle h PRO 236 Cb 0.98 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 3dle h PRO 236 CO 0.24 0.68 0.35 -0.44 -0.21 0.00 0.00 178.00 178.62 3dle h ASP 237 N 1.05 0.04 0.33 -2.05 5.19 -1.67 0.68 116.42 120.00 3dle h ASP 237 Ca 0.44 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.66 3dle h ASP 237 Cb 0.29 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 3dle h ASP 237 CO -0.21 0.02 -0.80 0.11 -3.12 0.00 0.00 179.24 175.24 3dle h LYS 238 N 0.05 0.37 -5.16 3.56 1.79 -1.79 -3.44 116.57 111.94 3dle h LYS 238 Ca 0.23 -0.34 -0.38 0.00 -2.18 0.00 0.00 60.65 57.98 3dle h LYS 238 Cb 0.88 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.54 3dle h LYS 238 CO -0.01 1.00 1.57 0.91 -1.08 0.00 0.00 179.45 181.84 3dle n TRP 239 N -3.79 0.65 -1.72 -1.35 8.01 0.23 -4.88 117.44 114.59 3dle n TRP 239 Ca -0.05 0.17 -0.31 0.00 -1.31 0.00 0.00 57.50 56.00 3dle n TRP 239 Cb 0.75 -1.93 0.04 0.00 -2.01 0.00 0.00 31.31 28.15 3dle n TRP 239 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3dle s THR 240 N 7.90 4.22 -0.70 -0.99 -4.23 -1.26 -5.02 115.64 115.56 3dle s THR 240 Ca 1.22 0.72 0.05 0.00 -1.18 0.00 0.00 61.69 62.50 3dle s THR 240 Cb -0.78 -3.59 0.22 0.00 1.34 0.00 0.00 72.50 69.69 3dle s THR 240 CO 0.41 -0.94 0.68 0.52 -0.54 0.00 0.00 174.62 174.75 3dle n VAL 241 N -2.98 2.24 -1.75 2.29 0.31 -1.26 -4.95 118.33 112.23 3dle n VAL 241 Ca 0.07 -5.11 -0.42 0.00 -0.01 0.00 0.00 64.34 58.87 3dle n VAL 241 Cb 0.54 -2.15 -0.01 0.00 -0.91 0.00 0.00 33.84 31.31 3dle n VAL 241 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dle n GLN 242 N 1.36 2.63 -2.55 5.55 1.13 -1.26 -4.99 117.38 119.24 3dle n GLN 242 Ca 0.26 0.93 -0.24 0.00 -1.94 0.00 0.00 57.00 56.01 3dle n GLN 242 Cb 0.38 -2.68 0.11 0.00 0.11 0.00 0.00 30.24 28.17 3dle n GLN 242 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3dle s PRO 243 N -1.12 1.64 0.09 -1.09 0.04 -1.26 -4.84 135.00 128.47 3dle s PRO 243 Ca 0.60 -1.07 -0.10 0.00 0.04 0.00 0.00 61.00 60.47 3dle s PRO 243 Cb -0.50 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 3dle s PRO 243 CO 0.55 -1.48 0.42 0.42 0.04 0.00 0.00 177.00 176.94 3dle s ILE 244 N -3.17 5.07 -0.15 0.56 -1.09 -1.25 -0.34 121.20 120.83 3dle s ILE 244 Ca 0.66 0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 59.52 3dle s ILE 244 Cb -0.05 -3.65 0.05 0.00 -1.58 0.00 0.00 42.46 37.22 3dle s ILE 244 CO 0.45 0.26 0.01 -0.69 -1.23 0.00 0.00 174.94 173.73 3dle s VAL 245 N -1.44 0.56 0.53 2.92 1.01 -0.73 -4.74 120.40 118.51 3dle s VAL 245 Ca 0.34 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 3dle s VAL 245 Cb -0.14 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 3dle s VAL 245 CO 0.19 -0.00 1.06 -0.76 0.00 0.00 0.00 175.10 175.58 3dle s LEU 246 N 1.87 3.71 0.49 3.92 1.43 -1.26 -4.76 118.68 124.08 3dle s LEU 246 Ca 0.01 1.92 -0.23 0.00 -1.03 0.00 0.00 54.13 54.81 3dle s LEU 246 Cb -0.15 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.45 3dle s LEU 246 CO -0.07 -0.97 1.23 -2.16 0.23 0.00 0.00 176.35 174.61 3dle s PRO 247 N -3.53 3.54 -0.05 1.29 0.04 -1.26 -5.04 135.00 130.00 3dle s PRO 247 Ca 0.67 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.70 3dle s PRO 247 Cb -0.17 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 3dle s PRO 247 CO 0.27 -0.78 -0.22 -1.21 0.04 0.00 0.00 177.00 175.10 3dle s GLU 248 N -2.77 2.46 0.03 4.56 2.02 -1.26 -5.13 118.70 118.62 3dle s GLU 248 Ca 0.66 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 3dle s GLU 248 Cb -0.33 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 3dle s GLU 248 CO 0.39 0.48 -0.00 0.15 0.02 0.00 0.00 175.26 176.30 3dle s LYS 249 N -0.40 0.46 0.02 1.61 1.02 -1.26 -5.04 119.74 116.16 3dle s LYS 249 Ca 0.04 -0.84 -0.27 0.00 0.02 0.00 0.00 55.97 54.92 3dle s LYS 249 Cb -0.12 0.17 -0.15 0.00 -0.52 0.00 0.00 37.83 37.21 3dle s LYS 249 CO 0.02 -0.09 1.18 0.22 -0.92 0.00 0.00 175.35 175.75 3dle h ASP 250 N 3.96 -0.82 -4.25 2.83 3.58 -2.05 -3.44 116.42 116.23 3dle h ASP 250 Ca -0.33 0.03 -0.57 0.00 0.42 0.00 0.00 57.03 56.59 3dle h ASP 250 Cb 1.18 0.21 -0.24 0.00 1.72 0.00 0.00 39.33 42.20 3dle h ASP 250 CO 0.51 -0.48 -0.83 -0.44 -2.88 0.00 0.00 179.24 175.12 3dle s SER 251 N -4.14 2.44 -0.11 2.28 0.01 -1.26 -5.10 113.70 107.83 3dle s SER 251 Ca -0.14 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.54 3dle s SER 251 Cb 0.01 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 3dle s SER 251 CO 0.42 0.12 -0.07 0.26 0.41 0.00 0.00 173.24 174.38 3dle s TRP 252 N -0.91 2.94 0.28 2.43 0.52 -1.26 -5.05 118.94 117.88 3dle s TRP 252 Ca 0.07 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 56.06 3dle s TRP 252 Cb -0.09 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 3dle s TRP 252 CO 0.02 0.12 0.31 0.95 0.02 0.00 0.00 176.95 178.38 3dle s THR 253 N -0.24 4.47 0.28 2.01 -4.23 -1.26 -0.71 115.64 115.97 3dle s THR 253 Ca 0.03 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.37 3dle s THR 253 Cb -0.13 -3.51 0.27 0.00 1.34 0.00 0.00 72.50 70.48 3dle s THR 253 CO 0.03 -0.28 1.73 0.58 -0.54 0.00 0.00 174.62 176.14 3dle h VAL 254 N 1.24 0.59 -0.49 2.29 2.07 -1.41 0.56 116.25 121.09 3dle h VAL 254 Ca -0.48 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3dle h VAL 254 Cb 1.24 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3dle h VAL 254 CO 0.59 0.10 0.16 -1.13 0.02 0.00 0.00 177.57 177.30 3dle h ASN 255 N 0.53 0.71 -0.12 0.57 -0.00 -1.74 -0.87 115.58 114.65 3dle h ASN 255 Ca 0.54 -0.20 0.01 0.00 -0.00 0.00 0.00 56.30 56.65 3dle h ASN 255 Cb 0.92 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 39.04 3dle h ASN 255 CO -0.45 0.72 0.03 0.44 -0.00 0.00 0.00 177.43 178.17 3dle h ASP 256 N 0.66 0.03 -0.38 1.15 3.45 -1.25 -0.70 116.42 119.37 3dle h ASP 256 Ca 0.16 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 3dle h ASP 256 Cb 0.26 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 3dle h ASP 256 CO -0.01 0.03 0.23 0.40 -1.57 0.00 0.00 179.24 178.33 3dle h ILE 257 N 0.09 1.13 -0.79 0.35 2.04 -1.01 -0.21 117.51 119.11 3dle h ILE 257 Ca 0.05 -0.31 0.10 0.00 1.00 0.00 0.00 64.86 65.71 3dle h ILE 257 Cb 0.04 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3dle h ILE 257 CO -0.06 0.13 0.52 1.56 0.00 0.00 0.00 178.15 180.30 3dle h GLN 258 N 0.50 0.69 0.12 2.37 4.20 -0.79 0.11 115.11 122.30 3dle h GLN 258 Ca 0.14 -0.04 -0.29 0.00 0.06 0.00 0.00 58.65 58.51 3dle h GLN 258 Cb 0.01 -0.15 0.02 0.00 0.30 0.00 0.00 27.48 27.66 3dle h GLN 258 CO -0.02 0.45 -1.24 0.87 -0.67 0.00 0.00 178.83 178.22 3dle h LYS 259 N 0.71 0.55 -0.62 1.46 1.57 -0.47 -2.02 116.57 117.75 3dle h LYS 259 Ca 0.37 -0.76 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 3dle h LYS 259 Cb 0.48 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3dle h LYS 259 CO -0.14 1.34 0.17 1.25 -0.57 0.00 0.00 179.45 181.50 3dle h LEU 260 N 0.24 0.92 -0.90 2.94 5.85 -0.37 -2.51 115.31 121.47 3dle h LEU 260 Ca -0.18 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 3dle h LEU 260 Cb 1.91 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 3dle h LEU 260 CO 0.23 0.90 0.19 0.58 -0.34 0.00 0.00 178.44 180.00 3dle h VAL 261 N 0.89 1.24 -0.45 1.05 2.07 -0.85 0.55 116.25 120.76 3dle h VAL 261 Ca 0.20 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3dle h VAL 261 Cb 0.32 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3dle h VAL 261 CO -0.00 0.33 0.20 1.23 0.02 0.00 0.00 177.57 179.35 3dle h GLY 262 N 1.05 0.69 0.82 2.17 0.00 -0.99 -1.21 103.07 105.60 3dle h GLY 262 Ca 0.21 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3dle h GLY 262 CO -0.01 0.34 -0.17 0.50 0.00 0.00 0.00 176.54 177.20 3dle h LYS 263 N 0.58 0.46 -0.01 4.80 1.57 -1.22 -2.79 116.57 119.96 3dle h LYS 263 Ca 0.15 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3dle h LYS 263 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3dle h LYS 263 CO -0.02 0.80 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.43 3dle h LEU 264 N 0.14 -0.47 -0.30 2.94 3.38 -0.83 0.56 115.31 120.72 3dle h LEU 264 Ca 0.03 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3dle h LEU 264 Cb 0.71 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 3dle h LEU 264 CO 0.04 -0.22 -0.47 -1.13 0.09 0.00 0.00 178.44 176.75 3dle h ASN 265 N -0.26 -1.54 -0.45 -0.43 -1.24 -1.23 -0.09 115.58 110.34 3dle h ASN 265 Ca 0.06 0.21 0.05 0.00 0.71 0.00 0.00 56.30 57.32 3dle h ASN 265 Cb 0.33 0.64 -0.04 0.00 0.73 0.00 0.00 38.32 39.98 3dle h ASN 265 CO -0.16 -0.41 0.20 -0.25 -1.29 0.00 0.00 177.43 175.52 3dle h TRP 266 N -0.42 0.36 0.00 0.67 7.01 -1.28 -1.25 115.95 121.04 3dle h TRP 266 Ca 0.09 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.11 3dle h TRP 266 Cb 0.61 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 3dle h TRP 266 CO -0.61 0.17 0.00 0.00 -2.79 0.00 0.00 178.44 175.21 3dle h ALA 267 N 1.26 1.00 0.00 2.65 0.00 0.33 0.25 119.26 124.76 3dle h ALA 267 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dle h ALA 267 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dle h ALA 267 CO -0.17 -0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.95 3dle n SER 268 N -2.62 0.00 0.22 0.00 3.41 -0.17 -1.47 113.62 113.00 3dle n SER 268 Ca -0.02 0.27 0.10 0.00 -0.26 0.00 0.00 58.87 58.96 3dle n SER 268 Cb 0.05 -0.40 0.41 0.00 -0.26 0.00 0.00 64.21 64.02 3dle n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3dle h GLN 269 N 0.00 0.00 0.00 4.33 4.20 -1.07 -3.24 115.11 119.32 3dle h GLN 269 Ca 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 3dle h GLN 269 Cb 0.25 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3dle h GLN 269 CO 0.00 0.21 -1.41 -0.89 -0.67 0.00 0.00 178.83 176.07 3dle n ILE 270 N -3.31 1.50 -3.68 2.54 5.41 -0.54 -4.86 119.36 116.42 3dle n ILE 270 Ca 0.01 -0.04 -0.39 0.00 1.00 0.00 0.00 62.75 63.33 3dle n ILE 270 Cb 0.46 -2.15 -0.11 0.00 -0.71 0.00 0.00 39.64 37.13 3dle n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3dle s TYR 271 N -2.52 3.41 -0.56 1.39 2.02 -0.65 -4.98 117.35 115.47 3dle s TYR 271 Ca -0.29 -1.86 0.21 0.00 -0.37 0.00 0.00 57.07 54.76 3dle s TYR 271 Cb 0.07 -3.02 0.91 0.00 -0.40 0.00 0.00 41.96 39.52 3dle s TYR 271 CO 0.44 -0.90 1.64 -2.30 -1.57 0.00 0.00 175.55 172.86 3dle n PRO 272 N 4.79 0.15 0.00 -1.71 -0.02 -1.22 -2.04 135.00 134.95 3dle n PRO 272 Ca -0.08 0.42 0.14 0.00 -2.02 0.00 0.00 63.50 61.96 3dle n PRO 272 Cb 0.42 -1.80 0.66 0.00 -0.02 0.00 0.00 33.50 32.76 3dle n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dle n GLY 273 N -0.19 -0.93 3.69 -1.23 0.00 -1.26 -4.78 105.19 100.50 3dle n GLY 273 Ca 0.02 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3dle n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dle s ILE 274 N -2.40 4.52 0.09 -0.61 1.01 -0.86 -4.87 121.20 118.06 3dle s ILE 274 Ca 0.32 1.81 0.05 0.00 0.00 0.00 0.00 60.65 62.82 3dle s ILE 274 Cb 0.20 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3dle s ILE 274 CO 0.45 0.04 -0.12 -0.54 0.00 0.00 0.00 174.94 174.77 3dle s LYS 275 N 1.80 0.85 -0.03 2.79 1.02 -1.26 -4.86 119.74 120.04 3dle s LYS 275 Ca 0.53 -1.08 0.05 0.00 0.02 0.00 0.00 55.97 55.49 3dle s LYS 275 Cb -0.22 -0.69 0.08 0.00 -0.52 0.00 0.00 37.83 36.47 3dle s LYS 275 CO 0.22 0.13 0.92 1.33 -0.92 0.00 0.00 175.35 177.04 3dle n VAL 276 N 0.86 0.72 0.24 3.17 0.24 -1.26 -4.91 118.33 117.39 3dle n VAL 276 Ca -0.18 -0.82 -0.17 0.00 -2.04 0.00 0.00 64.34 61.13 3dle n VAL 276 Cb 0.56 0.42 -0.09 0.00 -1.47 0.00 0.00 33.84 33.26 3dle n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3dle h ARG 277 N 0.00 -0.83 -0.41 7.34 2.43 -1.98 0.63 114.38 121.56 3dle h ARG 277 Ca 0.00 0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3dle h ARG 277 Cb 1.00 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3dle h ARG 277 CO 0.00 -0.55 -0.09 1.96 -1.51 0.00 0.00 179.97 179.77 3dle h GLN 278 N -0.86 0.72 -0.17 0.20 1.08 -1.91 -2.04 115.11 112.13 3dle h GLN 278 Ca -0.03 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3dle h GLN 278 Cb 0.78 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 3dle h GLN 278 CO -0.10 0.79 0.01 -0.07 -0.95 0.00 0.00 178.83 178.52 3dle h LEU 279 N 0.66 0.29 -2.16 1.46 3.38 -1.84 -2.79 115.31 114.31 3dle h LEU 279 Ca 0.12 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.84 3dle h LEU 279 Cb 0.54 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3dle h LEU 279 CO 0.03 0.51 0.14 0.00 0.09 0.00 0.00 178.44 179.21 3dle h LYS 281 N 0.00 0.15 0.00 0.00 1.57 -1.09 -2.32 116.57 114.88 3dle h LYS 281 Ca 0.08 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dle h LYS 281 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3dle h LYS 281 CO -0.00 0.58 0.00 1.28 -0.57 0.00 0.00 179.45 180.74 3dle n LEU 282 N -3.99 0.00 -0.18 2.94 4.77 -0.50 -1.67 117.00 118.38 3dle n LEU 282 Ca -0.02 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 3dle n LEU 282 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3dle n LEU 282 CO 0.41 0.00 0.14 0.18 -1.33 0.00 0.00 177.39 176.80 3dle n LEU 283 N -0.87 1.06 -4.65 2.23 4.32 -0.87 -4.96 117.00 113.27 3dle n LEU 283 Ca 0.09 -0.68 -0.42 0.00 -0.02 0.00 0.00 56.01 54.98 3dle n LEU 283 Cb 0.04 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.81 3dle n LEU 283 CO 0.07 0.22 1.52 -0.13 -1.22 0.00 0.00 177.39 177.85 3dle s ARG 284 N -1.68 3.94 0.00 3.23 0.52 -0.67 -4.73 118.95 119.56 3dle s ARG 284 Ca 0.08 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 3dle s ARG 284 Cb 0.09 -4.11 0.00 0.00 0.52 0.00 0.00 34.95 31.45 3dle s ARG 284 CO 0.35 -1.15 0.00 0.41 0.02 0.00 0.00 175.30 174.92 3dle n GLY 285 N 4.61 3.44 2.77 -3.53 0.00 -1.26 -4.94 105.19 106.28 3dle n GLY 285 Ca 0.20 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 3dle n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dle n THR 286 N -1.37 4.58 -2.63 2.61 -2.24 -1.26 -5.04 114.28 108.94 3dle n THR 286 Ca 0.00 -5.75 -0.29 0.00 -2.27 0.00 0.00 64.05 55.74 3dle n THR 286 Cb 0.00 -1.79 -0.01 0.00 -2.10 0.00 0.00 70.33 66.42 3dle n THR 286 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dle s LYS 287 N -3.34 3.66 0.41 -0.78 1.02 -1.26 -5.02 119.74 114.43 3dle s LYS 287 Ca 0.39 0.41 -0.27 0.00 0.02 0.00 0.00 55.97 56.51 3dle s LYS 287 Cb 0.16 -2.34 -0.10 0.00 -0.52 0.00 0.00 37.83 35.03 3dle s LYS 287 CO -0.03 -0.18 1.45 0.00 -0.92 0.00 0.00 175.35 175.67 3dle n ALA 288 N -1.89 2.18 0.32 5.17 0.00 -1.26 -4.83 120.51 120.20 3dle n ALA 288 Ca 0.02 0.30 0.20 0.00 0.00 0.00 0.00 53.44 53.97 3dle n ALA 288 Cb 0.54 -2.40 1.11 0.00 0.00 0.00 0.00 19.45 18.71 3dle n ALA 288 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3dle h LEU 289 N 2.65 0.00 -0.65 0.00 5.85 -1.97 -1.46 115.31 119.73 3dle h LEU 289 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3dle h LEU 289 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3dle h LEU 289 CO 0.63 0.00 -0.41 0.35 -0.34 0.00 0.00 178.44 178.67 3dle n THR 290 N -3.28 0.00 -2.21 1.05 -2.24 -1.26 -2.20 114.28 104.14 3dle n THR 290 Ca -0.03 -0.17 -0.39 0.00 -2.27 0.00 0.00 64.05 61.20 3dle n THR 290 Cb 0.11 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 3dle n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dle s GLU 291 N -2.54 4.03 -0.04 -0.78 2.12 -0.55 -4.79 118.70 116.14 3dle s GLU 291 Ca 0.20 1.95 -0.24 0.00 0.36 0.00 0.00 54.97 57.24 3dle s GLU 291 Cb 0.18 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 3dle s GLU 291 CO 0.57 -0.37 0.74 0.08 -0.54 0.00 0.00 175.26 175.74 3dle s VAL 292 N -1.35 4.97 -0.19 3.70 1.01 -1.26 -1.75 120.40 125.54 3dle s VAL 292 Ca 0.57 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 3dle s VAL 292 Cb -0.33 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 3dle s VAL 292 CO 0.42 0.26 -0.12 -0.63 0.00 0.00 0.00 175.10 175.04 3dle s ILE 293 N 0.66 2.86 -0.14 2.22 -1.09 0.11 -4.96 121.20 120.86 3dle s ILE 293 Ca 0.39 -0.68 -0.29 0.00 -2.23 0.00 0.00 60.65 57.84 3dle s ILE 293 Cb -0.19 -2.25 -0.01 0.00 -1.58 0.00 0.00 42.46 38.43 3dle s ILE 293 CO 0.20 0.48 1.17 -2.16 -1.23 0.00 0.00 174.94 173.40 3dle s PRO 294 N 1.17 4.30 0.17 2.79 0.04 -1.26 -4.31 135.00 137.88 3dle s PRO 294 Ca 0.01 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 3dle s PRO 294 Cb -0.14 -3.65 -0.09 0.00 0.04 0.00 0.00 34.50 30.65 3dle s PRO 294 CO -0.04 -0.57 1.47 -0.51 0.04 0.00 0.00 177.00 177.39 3dle s LEU 295 N 2.89 4.38 1.05 -3.56 1.43 -1.26 -5.00 118.68 118.60 3dle s LEU 295 Ca 0.52 2.52 -0.15 0.00 -1.03 0.00 0.00 54.13 56.00 3dle s LEU 295 Cb -0.21 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.63 3dle s LEU 295 CO 0.15 -0.73 1.12 0.42 0.23 0.00 0.00 176.35 177.55 3dle s THR 296 N 0.84 1.87 0.23 5.49 -4.23 -1.26 -4.89 115.64 113.69 3dle s THR 296 Ca 0.65 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.22 3dle s THR 296 Cb -0.41 -2.58 -0.07 0.00 1.34 0.00 0.00 72.50 70.79 3dle s THR 296 CO 0.34 0.00 1.53 -0.33 -0.54 0.00 0.00 174.62 175.61 3dle h GLU 297 N -2.03 0.17 -0.27 3.99 4.39 -1.99 -2.74 114.58 116.09 3dle h GLU 297 Ca -0.50 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.04 3dle h GLU 297 Cb 1.31 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 3dle h GLU 297 CO 0.50 0.78 0.06 0.93 -1.16 0.00 0.00 179.01 180.12 3dle h GLU 298 N 0.12 0.43 0.00 2.33 3.07 -1.98 -0.17 114.58 118.37 3dle h GLU 298 Ca -0.01 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 3dle h GLU 298 Cb 1.21 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3dle h GLU 298 CO 0.10 0.53 -0.12 0.00 -1.40 0.00 0.00 179.01 178.12 3dle h ALA 299 N 0.88 1.67 -0.05 3.43 0.00 -1.83 -1.09 119.26 122.27 3dle h ALA 299 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3dle h ALA 299 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dle h ALA 299 CO 0.00 0.15 -0.17 0.93 0.00 0.00 0.00 179.25 180.16 3dle h GLU 300 N 0.00 0.20 -0.75 0.00 5.08 -1.05 -1.68 114.58 116.38 3dle h GLU 300 Ca -0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3dle h GLU 300 Cb 0.23 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3dle h GLU 300 CO 0.02 0.78 0.47 1.25 -1.00 0.00 0.00 179.01 180.52 3dle h LEU 301 N -0.33 0.89 -0.45 1.33 5.85 -0.73 0.19 115.31 122.06 3dle h LEU 301 Ca -0.01 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3dle h LEU 301 Cb 0.80 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3dle h LEU 301 CO 0.04 0.68 0.24 -0.08 -0.34 0.00 0.00 178.44 178.98 3dle h GLU 302 N 1.03 0.47 -0.62 1.25 4.81 -1.23 0.95 114.58 121.24 3dle h GLU 302 Ca 0.27 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3dle h GLU 302 Cb -0.06 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3dle h GLU 302 CO -0.05 0.31 0.30 1.25 -0.73 0.00 0.00 179.01 180.09 3dle h LEU 303 N 0.48 0.80 -0.43 1.64 6.46 -0.60 0.22 115.31 123.88 3dle h LEU 303 Ca 0.19 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3dle h LEU 303 Cb 0.07 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 3dle h LEU 303 CO -0.12 0.70 0.18 0.00 -0.62 0.00 0.00 178.44 178.58 3dle h ALA 304 N 1.13 0.56 -0.74 1.25 0.00 0.41 -1.08 119.26 120.79 3dle h ALA 304 Ca 0.21 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3dle h ALA 304 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3dle h ALA 304 CO -0.03 0.16 0.22 0.93 0.00 0.00 0.00 179.25 180.53 3dle h GLU 305 N 0.55 1.16 -0.19 0.00 5.08 0.12 -2.29 114.58 119.01 3dle h GLU 305 Ca 0.14 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3dle h GLU 305 Cb 0.18 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3dle h GLU 305 CO -0.01 0.99 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.88 3dle h ASN 306 N 1.11 0.33 -0.35 1.42 2.35 -0.67 -2.41 115.58 117.36 3dle h ASN 306 Ca 0.24 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 3dle h ASN 306 Cb 0.32 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3dle h ASN 306 CO -0.01 0.54 -0.24 0.03 -1.65 0.00 0.00 177.43 176.11 3dle h ARG 307 N 0.31 0.77 0.23 0.81 3.08 -0.86 -2.64 114.38 116.08 3dle h ARG 307 Ca 0.05 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 3dle h ARG 307 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3dle h ARG 307 CO 0.04 0.99 -0.12 0.93 -1.07 0.00 0.00 179.97 180.74 3dle h GLU 308 N 0.55 -0.31 -1.00 0.04 4.39 -1.25 -2.60 114.58 114.40 3dle h GLU 308 Ca 0.07 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.01 3dle h GLU 308 Cb 0.80 0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 29.41 3dle h GLU 308 CO 0.06 -0.21 0.60 0.82 -1.16 0.00 0.00 179.01 179.12 3dle h ILE 309 N -0.32 0.62 -0.12 3.13 2.04 -1.43 0.11 117.51 121.55 3dle h ILE 309 Ca -0.03 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3dle h ILE 309 Cb 0.25 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3dle h ILE 309 CO 0.05 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.50 3dle n LEU 310 N -4.83 0.76 0.14 1.44 4.77 -1.00 -3.79 117.00 114.50 3dle n LEU 310 Ca 0.25 -0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.00 3dle n LEU 310 Cb 0.66 -0.08 0.42 0.00 -2.33 0.00 0.00 43.42 42.09 3dle n LEU 310 CO 0.19 0.18 0.88 0.11 -1.33 0.00 0.00 177.39 177.41 3dle h LYS 311 N 0.90 0.00 -4.08 3.23 1.57 -0.55 -3.33 116.57 114.31 3dle h LYS 311 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3dle h LYS 311 Cb 0.20 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.37 3dle h LYS 311 CO 0.00 0.00 -0.54 -1.21 -0.57 0.00 0.00 179.45 177.13 3dle s GLU 312 N -3.23 0.76 0.74 3.15 2.02 -1.25 -4.94 118.70 115.95 3dle s GLU 312 Ca 0.08 -1.14 -0.14 0.00 0.02 0.00 0.00 54.97 53.79 3dle s GLU 312 Cb 0.10 0.27 0.05 0.00 0.10 0.00 0.00 34.13 34.65 3dle s GLU 312 CO 0.55 -0.20 1.15 -2.14 0.02 0.00 0.00 175.26 174.63 3dle s PRO 313 N -3.91 2.21 0.15 0.39 0.02 -1.26 -4.93 135.00 127.66 3dle s PRO 313 Ca 0.08 1.51 -0.31 0.00 0.02 0.00 0.00 61.00 62.30 3dle s PRO 313 Cb 0.07 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.63 3dle s PRO 313 CO -0.09 -1.73 1.43 0.54 -0.33 0.00 0.00 177.00 176.82 3dle s VAL 314 N -2.35 3.08 1.00 3.83 0.11 -1.26 -4.97 120.40 119.85 3dle s VAL 314 Ca 0.69 0.80 -0.11 0.00 -2.93 0.00 0.00 61.98 60.42 3dle s VAL 314 Cb -0.23 -3.51 0.19 0.00 -1.53 0.00 0.00 36.38 31.29 3dle s VAL 314 CO 0.48 0.07 1.06 1.41 -3.33 0.00 0.00 175.10 174.79 3dle n HIS 315 N 3.70 0.09 -0.98 1.54 -0.00 -1.26 -3.94 115.22 114.37 3dle n HIS 315 Ca 0.11 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 3dle n HIS 315 Cb 0.41 -1.89 0.00 0.00 -0.00 0.00 0.00 29.99 28.51 3dle n HIS 315 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dle n GLY 316 N 0.57 0.34 3.59 -1.41 0.00 -1.26 -5.00 105.19 102.02 3dle n GLY 316 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3dle n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dle s VAL 317 N -1.74 5.03 0.17 1.61 1.01 -1.25 -5.04 120.40 120.19 3dle s VAL 317 Ca 0.00 0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.66 3dle s VAL 317 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3dle s VAL 317 CO 0.00 -0.08 -0.16 -0.31 0.00 0.00 0.00 175.10 174.55 3dle s TYR 318 N 2.37 1.68 0.01 5.22 2.02 -1.26 -4.99 117.35 122.41 3dle s TYR 318 Ca 0.20 -0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 3dle s TYR 318 Cb -0.15 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.54 3dle s TYR 318 CO 0.12 0.29 0.99 -0.47 -1.57 0.00 0.00 175.55 174.90 3dle s TYR 319 N -2.38 3.66 -0.29 2.71 6.14 -1.26 -5.02 117.35 120.91 3dle s TYR 319 Ca 0.16 1.69 -0.03 0.00 0.64 0.00 0.00 57.07 59.54 3dle s TYR 319 Cb -0.04 -3.13 0.04 0.00 0.42 0.00 0.00 41.96 39.25 3dle s TYR 319 CO 0.06 -0.05 0.01 0.34 0.64 0.00 0.00 175.55 176.55 3dle s ASP 320 N 0.91 4.81 0.30 4.32 -1.08 -1.26 -5.00 116.67 119.68 3dle s ASP 320 Ca 0.52 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 51.48 3dle s ASP 320 Cb -0.22 -1.74 0.52 0.00 -1.46 0.00 0.00 42.92 40.03 3dle s ASP 320 CO 0.28 -0.22 1.93 -0.65 0.52 0.00 0.00 175.17 177.03 3dle h PRO 321 N 8.06 1.00 0.00 4.34 0.11 -2.01 -2.68 132.00 140.82 3dle h PRO 321 Ca -0.26 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3dle h PRO 321 Cb 1.08 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3dle h PRO 321 CO 0.56 0.66 0.00 -1.13 -0.21 0.00 0.00 178.00 177.88 3dle n SER 322 N -4.47 0.00 -4.59 -2.05 3.41 -1.26 -4.76 113.62 99.89 3dle n SER 322 Ca 0.13 0.14 -0.25 0.00 -0.26 0.00 0.00 58.87 58.63 3dle n SER 322 Cb 0.16 -0.30 -0.09 0.00 -0.26 0.00 0.00 64.21 63.72 3dle n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dle s LYS 323 N -2.60 1.97 0.32 4.33 1.02 -1.01 -5.13 119.74 118.64 3dle s LYS 323 Ca 0.11 -1.81 -0.21 0.00 0.02 0.00 0.00 55.97 54.08 3dle s LYS 323 Cb 0.08 -1.85 -0.10 0.00 -0.52 0.00 0.00 37.83 35.44 3dle s LYS 323 CO 0.18 0.15 0.85 -0.51 -0.92 0.00 0.00 175.35 175.11 3dle s ASP 324 N -3.67 7.09 -0.05 2.83 1.01 -1.26 -4.93 116.67 117.68 3dle s ASP 324 Ca 0.34 1.60 -0.19 0.00 0.71 0.00 0.00 52.55 55.01 3dle s ASP 324 Cb 0.00 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 3dle s ASP 324 CO 0.18 -0.12 0.52 -0.76 0.21 0.00 0.00 175.17 175.20 3dle s LEU 325 N -2.42 4.36 -0.06 1.23 1.43 -1.26 -4.54 118.68 117.42 3dle s LEU 325 Ca 0.51 0.98 0.05 0.00 -1.03 0.00 0.00 54.13 54.64 3dle s LEU 325 Cb -0.15 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 3dle s LEU 325 CO 0.20 0.09 -0.20 -0.63 0.23 0.00 0.00 176.35 176.03 3dle s ILE 326 N 0.06 2.50 -0.17 -0.59 1.01 0.16 0.06 121.20 124.22 3dle s ILE 326 Ca 0.28 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3dle s ILE 326 Cb -0.17 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.38 3dle s ILE 326 CO 0.14 0.57 -0.18 0.00 0.00 0.00 0.00 174.94 175.46 3dle s ALA 327 N -0.33 2.22 -0.10 9.38 0.00 0.09 -0.47 121.76 132.55 3dle s ALA 327 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3dle s ALA 327 Cb -0.13 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 3dle s ALA 327 CO 0.02 -0.37 -0.10 -2.00 0.00 0.00 0.00 175.76 173.31 3dle s GLU 328 N 1.33 3.06 -0.03 0.00 2.12 -0.89 -0.59 118.70 123.70 3dle s GLU 328 Ca 0.05 -0.62 0.06 0.00 0.36 0.00 0.00 54.97 54.82 3dle s GLU 328 Cb -0.13 -2.62 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 3dle s GLU 328 CO -0.12 0.44 -0.20 0.42 -0.54 0.00 0.00 175.26 175.25 3dle s ILE 329 N -0.22 1.63 -0.06 -3.70 1.01 -1.09 -1.72 121.20 117.06 3dle s ILE 329 Ca 0.02 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.87 3dle s ILE 329 Cb -0.13 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 3dle s ILE 329 CO 0.03 0.46 -0.25 -1.10 0.00 0.00 0.00 174.94 174.08 3dle s GLN 330 N -0.27 2.54 -0.53 2.79 1.11 0.37 -4.16 119.66 121.51 3dle s GLN 330 Ca 0.02 -0.90 -0.26 0.00 0.01 0.00 0.00 55.36 54.24 3dle s GLN 330 Cb -0.10 -2.17 0.03 0.00 -1.01 0.00 0.00 33.01 29.76 3dle s GLN 330 CO 0.01 0.40 1.02 0.21 0.01 0.00 0.00 175.29 176.94 3dle s LYS 331 N -0.20 3.47 0.21 2.91 2.20 -1.26 -1.73 119.74 125.35 3dle s LYS 331 Ca -0.03 0.06 0.12 0.00 -0.36 0.00 0.00 55.97 55.77 3dle s LYS 331 Cb -0.13 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 3dle s LYS 331 CO 0.03 -1.46 1.36 1.96 -0.36 0.00 0.00 175.35 176.89 3dle h GLN 332 N 9.31 0.00 0.00 4.03 1.08 -1.07 -3.49 115.11 124.97 3dle h GLN 332 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 3dle h GLN 332 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3dle h GLN 332 CO 1.10 0.68 0.00 0.41 -0.95 0.00 0.00 178.83 180.07 3dle n GLY 333 N 1.28 2.47 3.85 3.46 0.00 -0.81 -4.87 105.19 110.57 3dle n GLY 333 Ca 0.01 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 3dle n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dle n GLN 334 N 0.91 -5.01 -0.98 1.61 6.02 -1.26 -0.28 117.38 118.38 3dle n GLN 334 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 3dle n GLN 334 Cb 0.00 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 25.83 3dle n GLN 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dle n GLY 335 N -1.59 0.51 3.86 1.08 0.00 -1.26 -4.90 105.19 102.89 3dle n GLY 335 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3dle n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dle s GLN 336 N -0.27 3.36 -0.01 1.61 1.11 0.62 0.28 119.66 126.36 3dle s GLN 336 Ca 0.00 -0.24 -0.00 0.00 0.01 0.00 0.00 55.36 55.13 3dle s GLN 336 Cb 0.00 -3.10 0.00 0.00 -1.01 0.00 0.00 33.01 28.90 3dle s GLN 336 CO 0.00 0.73 0.02 -1.58 0.01 0.00 0.00 175.29 174.47 3dle s TRP 337 N -1.11 -0.01 0.11 0.91 0.52 0.01 -0.38 118.94 118.99 3dle s TRP 337 Ca 0.19 0.05 0.09 0.00 0.02 0.00 0.00 56.10 56.44 3dle s TRP 337 Cb -0.12 -0.02 -0.04 0.00 -1.15 0.00 0.00 33.47 32.14 3dle s TRP 337 CO 0.08 -0.02 -0.18 0.95 0.02 0.00 0.00 176.95 177.80 3dle s THR 338 N 0.13 2.82 0.08 2.01 -4.23 -0.70 0.28 115.64 116.03 3dle s THR 338 Ca -0.01 -1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 3dle s THR 338 Cb -0.02 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 3dle s THR 338 CO -0.00 0.12 0.10 -0.72 -0.54 0.00 0.00 174.62 173.58 3dle s TYR 339 N -1.12 0.40 -0.07 3.99 1.13 -0.63 -0.48 117.35 120.56 3dle s TYR 339 Ca 0.17 -0.86 -0.03 0.00 -1.41 0.00 0.00 57.07 54.94 3dle s TYR 339 Cb -0.11 -0.24 0.04 0.00 -1.10 0.00 0.00 41.96 40.56 3dle s TYR 339 CO 0.10 -0.49 0.14 -0.65 -2.51 0.00 0.00 175.55 172.14 3dle s GLN 340 N -3.91 0.05 -0.16 -3.49 1.11 -0.70 -1.39 119.66 111.16 3dle s GLN 340 Ca 0.09 0.46 -0.09 0.00 0.01 0.00 0.00 55.36 55.83 3dle s GLN 340 Cb 0.06 -0.24 -0.05 0.00 -1.01 0.00 0.00 33.01 31.77 3dle s GLN 340 CO -0.08 -0.24 0.14 0.42 0.01 0.00 0.00 175.29 175.53 3dle s ILE 341 N 1.77 5.45 0.31 1.08 1.01 0.16 -2.10 121.20 128.88 3dle s ILE 341 Ca -0.02 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.65 3dle s ILE 341 Cb -0.12 -3.44 0.06 0.00 0.01 0.00 0.00 42.46 38.97 3dle s ILE 341 CO -0.06 0.52 0.85 -0.72 0.00 0.00 0.00 174.94 175.54 3dle s TYR 342 N -0.27 0.06 0.00 3.97 -0.85 0.38 -0.98 117.35 119.66 3dle s TYR 342 Ca 0.11 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.04 3dle s TYR 342 Cb -0.12 0.78 0.00 0.00 0.38 0.00 0.00 41.96 43.01 3dle s TYR 342 CO 0.01 -1.33 0.00 1.04 -1.52 0.00 0.00 175.55 173.74 3dle n GLN 343 N -0.56 2.24 -4.90 -3.49 6.02 -1.26 0.37 117.38 115.79 3dle n GLN 343 Ca -0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.63 3dle n GLN 343 Cb 0.60 -0.82 -0.15 0.00 1.02 0.00 0.00 30.24 30.89 3dle n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dle s GLU 344 N -1.64 1.78 0.30 -1.09 0.41 -1.26 -4.94 118.70 112.27 3dle s GLU 344 Ca 0.00 -1.10 -0.29 0.00 -0.41 0.00 0.00 54.97 53.17 3dle s GLU 344 Cb 0.00 -1.95 -0.12 0.00 -1.78 0.00 0.00 34.13 30.28 3dle s GLU 344 CO 0.00 0.50 1.41 -2.30 -0.49 0.00 0.00 175.26 174.39 3dle n PRO 345 N 1.80 2.29 -0.75 0.39 -0.02 -1.26 -2.08 135.00 135.36 3dle n PRO 345 Ca -0.17 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3dle n PRO 345 Cb 0.52 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3dle n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dle n PHE 346 N 1.21 0.00 -3.61 6.00 3.01 -1.26 -4.89 117.46 117.92 3dle n PHE 346 Ca 0.07 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.20 3dle n PHE 346 Cb 0.35 -0.84 -0.08 0.00 -0.01 0.00 0.00 39.48 38.90 3dle n PHE 346 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3dle n LYS 347 N -1.90 2.57 -2.42 -1.08 5.02 -0.88 -4.83 118.16 114.64 3dle n LYS 347 Ca 0.00 -4.53 -0.42 0.00 -2.02 0.00 0.00 58.31 51.34 3dle n LYS 347 Cb 0.02 -2.36 -0.03 0.00 -0.02 0.00 0.00 35.03 32.65 3dle n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3dle s ASN 348 N -1.09 7.03 0.24 4.39 0.01 -1.26 -4.23 114.94 120.02 3dle s ASN 348 Ca 0.30 1.90 0.14 0.00 -0.71 0.00 0.00 52.86 54.49 3dle s ASN 348 Cb -0.01 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.09 3dle s ASN 348 CO -0.10 -0.57 1.36 -0.07 -1.51 0.00 0.00 177.10 176.21 3dle h LEU 349 N 7.88 0.00 -7.00 0.60 3.38 -1.44 -3.47 115.31 115.26 3dle h LEU 349 Ca -0.36 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.68 3dle h LEU 349 Cb 1.18 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.68 3dle h LEU 349 CO 0.87 0.58 0.52 -0.75 0.09 0.00 0.00 178.44 179.75 3dle s LYS 350 N -2.92 0.53 0.15 1.13 2.20 -1.04 -4.99 119.74 114.79 3dle s LYS 350 Ca 0.03 0.35 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 3dle s LYS 350 Cb 0.08 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.61 3dle s LYS 350 CO 0.76 -0.12 -0.02 0.95 -0.36 0.00 0.00 175.35 176.57 3dle s THR 351 N -0.45 0.65 -0.02 3.43 -4.23 -1.26 0.39 115.64 114.15 3dle s THR 351 Ca 0.01 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 3dle s THR 351 Cb -0.03 -1.98 0.04 0.00 1.34 0.00 0.00 72.50 71.88 3dle s THR 351 CO -0.03 -0.60 0.61 0.61 -0.54 0.00 0.00 174.62 174.68 3dle n GLY 352 N -0.17 0.37 3.02 3.99 0.00 -0.48 -4.61 105.19 107.31 3dle n GLY 352 Ca -0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 3dle n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dle s LYS 353 N -2.00 0.41 -0.04 1.61 2.20 -1.26 -1.60 119.74 119.06 3dle s LYS 353 Ca 0.15 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 3dle s LYS 353 Cb -0.00 -0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.29 3dle s LYS 353 CO -0.01 -0.01 -0.01 -0.47 -0.36 0.00 0.00 175.35 174.49 3dle s TYR 354 N -1.51 0.46 -0.25 4.03 5.04 0.14 -4.99 117.35 120.28 3dle s TYR 354 Ca -0.13 -0.07 -0.07 0.00 -2.44 0.00 0.00 57.07 54.37 3dle s TYR 354 Cb -0.09 -0.52 -0.02 0.00 0.35 0.00 0.00 41.96 41.68 3dle s TYR 354 CO -0.01 -0.16 0.06 0.00 -1.34 0.00 0.00 175.55 174.10 3dle s ALA 355 N 1.09 3.12 0.07 3.97 0.00 -1.26 -0.81 121.76 127.93 3dle s ALA 355 Ca -0.09 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 3dle s ALA 355 Cb -0.14 -2.05 -0.13 0.00 0.00 0.00 0.00 23.12 20.81 3dle s ALA 355 CO -0.01 -0.51 0.54 2.89 0.00 0.00 0.00 175.76 178.67 3dle n ARG 356 N 4.91 0.00 -1.62 0.00 1.85 0.14 -4.90 116.66 117.04 3dle n ARG 356 Ca -0.16 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.39 3dle n ARG 356 Cb 0.51 -0.86 0.08 0.00 -1.05 0.00 0.00 32.46 31.14 3dle n ARG 356 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3dle s MET 357 N -0.34 2.36 0.04 2.89 -1.94 -1.26 -4.95 119.30 116.10 3dle s MET 357 Ca 0.53 0.65 -0.33 0.00 -1.71 0.00 0.00 55.69 54.83 3dle s MET 357 Cb -0.75 -1.95 -0.12 0.00 2.01 0.00 0.00 34.83 34.02 3dle s MET 357 CO 0.39 -1.43 1.79 -2.13 -0.01 0.00 0.00 175.02 173.62 3dle n ARG 358 N -3.31 2.34 0.00 2.03 0.63 -1.26 -2.45 116.66 114.64 3dle n ARG 358 Ca 0.07 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 3dle n ARG 358 Cb 0.56 -2.69 0.00 0.00 0.45 0.00 0.00 32.46 30.78 3dle n ARG 358 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3dle n GLY 359 N 4.08 2.05 0.60 5.14 0.00 -1.26 -4.91 105.19 110.88 3dle n GLY 359 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 3dle n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dle n ALA 360 N -1.58 2.51 -0.24 4.61 0.00 -1.02 -4.61 120.51 120.18 3dle n ALA 360 Ca 0.00 -0.56 0.17 0.00 0.00 0.00 0.00 53.44 53.05 3dle n ALA 360 Cb 0.00 -1.06 0.32 0.00 0.00 0.00 0.00 19.45 18.71 3dle n ALA 360 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3dle n HIS 361 N 0.41 0.66 -0.32 0.00 1.44 -1.26 -0.34 115.22 115.81 3dle n HIS 361 Ca 0.16 0.86 0.08 0.00 -2.01 0.00 0.00 57.72 56.80 3dle n HIS 361 Cb 0.34 -1.17 0.22 0.00 0.12 0.00 0.00 29.99 29.51 3dle n HIS 361 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3dle n THR 362 N -4.79 1.16 -3.81 0.61 -2.24 -1.26 -4.90 114.28 99.04 3dle n THR 362 Ca 0.22 -1.08 -0.30 0.00 -2.27 0.00 0.00 64.05 60.62 3dle n THR 362 Cb 0.75 0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 69.25 3dle n THR 362 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3dle s ASN 363 N -1.06 4.20 0.09 3.42 3.84 0.54 -4.99 114.94 120.98 3dle s ASN 363 Ca 0.34 -1.92 -0.34 0.00 0.21 0.00 0.00 52.86 51.15 3dle s ASN 363 Cb 0.19 -1.11 -0.16 0.00 -0.55 0.00 0.00 41.25 39.62 3dle s ASN 363 CO 0.21 -0.39 1.59 0.44 -2.79 0.00 0.00 177.10 176.16 3dle h ASP 364 N 7.78 -1.13 -1.15 -4.21 3.45 -1.91 -2.70 116.42 116.54 3dle h ASP 364 Ca -0.09 0.09 0.33 0.00 0.43 0.00 0.00 57.03 57.78 3dle h ASP 364 Cb 1.00 0.37 -0.05 0.00 -0.56 0.00 0.00 39.33 40.09 3dle h ASP 364 CO 0.49 -0.60 0.82 0.58 -1.57 0.00 0.00 179.24 178.96 3dle h VAL 365 N -0.91 0.43 0.03 -1.35 2.07 -1.96 0.14 116.25 114.70 3dle h VAL 365 Ca -0.05 -0.02 -0.25 0.00 0.82 0.00 0.00 66.70 67.20 3dle h VAL 365 Cb 0.79 0.38 0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3dle h VAL 365 CO -0.03 0.01 -1.00 0.50 0.02 0.00 0.00 177.57 177.07 3dle h LYS 366 N 0.04 0.62 -0.41 1.57 3.64 -1.86 -2.63 116.57 117.54 3dle h LYS 366 Ca 0.56 -0.71 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 3dle h LYS 366 Cb 2.14 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 34.16 3dle h LYS 366 CO -0.04 1.30 0.01 1.96 -2.27 0.00 0.00 179.45 180.41 3dle h GLN 367 N 0.25 0.72 -0.83 1.90 4.20 -0.51 -2.63 115.11 118.21 3dle h GLN 367 Ca -0.13 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 3dle h GLN 367 Cb 1.67 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.35 3dle h GLN 367 CO 0.20 0.79 0.48 1.25 -0.67 0.00 0.00 178.83 180.88 3dle h LEU 368 N 0.56 1.01 -0.58 1.46 6.46 -1.20 -1.81 115.31 121.21 3dle h LEU 368 Ca 0.12 -0.07 -0.16 0.00 -0.12 0.00 0.00 57.88 57.65 3dle h LEU 368 Cb 0.46 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3dle h LEU 368 CO 0.02 0.79 -0.60 0.71 -0.62 0.00 0.00 178.44 178.74 3dle h THR 369 N 1.14 1.36 -0.26 1.05 1.35 -1.35 -1.81 112.91 114.40 3dle h THR 369 Ca 0.29 -1.92 -0.14 0.00 -0.55 0.00 0.00 66.41 64.09 3dle h THR 369 Cb -0.01 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 3dle h THR 369 CO -0.05 0.58 -0.43 -0.33 -0.25 0.00 0.00 175.52 175.04 3dle h GLU 370 N 0.28 0.64 -0.51 4.72 5.08 -1.20 -1.62 114.58 121.97 3dle h GLU 370 Ca -0.00 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 3dle h GLU 370 Cb 1.12 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3dle h GLU 370 CO 0.10 0.95 0.12 0.00 -1.00 0.00 0.00 179.01 179.18 3dle h ALA 371 N 1.00 0.67 -0.46 3.43 0.00 -1.18 0.26 119.26 122.98 3dle h ALA 371 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3dle h ALA 371 Cb 0.96 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3dle h ALA 371 CO 0.09 0.37 0.21 0.28 0.00 0.00 0.00 179.25 180.19 3dle h VAL 372 N 0.70 1.19 -0.44 0.00 2.07 -1.17 0.32 116.25 118.93 3dle h VAL 372 Ca 0.16 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3dle h VAL 372 Cb 0.34 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3dle h VAL 372 CO 0.00 0.22 0.19 1.56 0.02 0.00 0.00 177.57 179.55 3dle h GLN 373 N 0.60 0.65 -0.64 1.57 4.20 -1.02 0.16 115.11 120.63 3dle h GLN 373 Ca 0.16 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3dle h GLN 373 Cb 0.15 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3dle h GLN 373 CO -0.02 0.59 0.30 -0.22 -0.67 0.00 0.00 178.83 178.81 3dle h LYS 374 N 0.57 0.92 -0.02 1.46 3.64 -0.02 -0.73 116.57 122.39 3dle h LYS 374 Ca 0.15 -0.14 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 3dle h LYS 374 Cb 0.17 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3dle h LYS 374 CO -0.01 0.75 -0.66 0.82 -2.27 0.00 0.00 179.45 178.07 3dle h ILE 375 N 0.88 1.44 -0.15 2.00 2.04 -0.16 -2.46 117.51 121.11 3dle h ILE 375 Ca 0.22 -2.19 -0.22 0.00 1.00 0.00 0.00 64.86 63.67 3dle h ILE 375 Cb 0.14 2.16 0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3dle h ILE 375 CO -0.03 0.63 -0.77 0.74 0.00 0.00 0.00 178.15 178.73 3dle h THR 376 N 0.07 1.29 -0.42 -0.27 2.02 -0.42 -1.77 112.91 113.41 3dle h THR 376 Ca -0.01 -1.99 -0.06 0.00 0.77 0.00 0.00 66.41 65.13 3dle h THR 376 Cb 1.17 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 3dle h THR 376 CO 0.09 0.63 0.04 0.74 0.37 0.00 0.00 175.52 177.39 3dle h THR 377 N 0.52 1.25 -0.20 3.16 2.02 -1.11 0.55 112.91 119.09 3dle h THR 377 Ca -0.05 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 3dle h THR 377 Cb 1.39 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 3dle h THR 377 CO 0.16 0.32 0.12 -0.33 0.37 0.00 0.00 175.52 176.16 3dle h GLU 378 N 0.56 0.27 -0.40 6.66 5.08 -1.46 -1.56 114.58 123.74 3dle h GLU 378 Ca 0.12 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3dle h GLU 378 Cb 0.42 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 3dle h GLU 378 CO 0.01 0.23 0.00 1.03 -1.00 0.00 0.00 179.01 179.29 3dle h SER 379 N 0.23 -0.16 0.33 1.42 0.87 -1.05 -1.67 113.55 113.51 3dle h SER 379 Ca 0.07 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3dle h SER 379 Cb 0.04 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3dle h SER 379 CO -0.01 -0.04 -0.33 0.40 -0.53 0.00 0.00 176.83 176.31 3dle h ILE 380 N 0.11 0.31 -0.68 2.23 2.04 -0.55 -0.90 117.51 120.08 3dle h ILE 380 Ca 0.20 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.19 3dle h ILE 380 Cb 0.28 0.31 -0.13 0.00 -0.74 0.00 0.00 36.82 36.54 3dle h ILE 380 CO -0.33 0.00 -0.16 0.58 0.00 0.00 0.00 178.15 178.24 3dle h VAL 381 N -0.69 0.33 -0.02 1.67 2.07 -0.88 1.89 116.25 120.61 3dle h VAL 381 Ca -0.02 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 3dle h VAL 381 Cb 0.63 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3dle h VAL 381 CO -0.07 0.00 -0.29 0.40 0.02 0.00 0.00 177.57 177.64 3dle h ILE 382 N 0.00 1.49 -0.00 4.57 2.04 -1.12 -3.39 117.51 121.11 3dle h ILE 382 Ca 0.33 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.34 3dle h ILE 382 Cb 0.50 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3dle h ILE 382 CO -0.69 0.52 -0.00 0.79 0.00 0.00 0.00 178.15 178.76 3dle n TRP 383 N -4.47 0.00 -1.64 1.37 8.01 -0.36 -4.92 117.44 115.43 3dle n TRP 383 Ca -0.09 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 55.98 3dle n TRP 383 Cb 0.50 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.77 3dle n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dle n GLY 384 N 0.14 0.82 3.26 6.99 0.00 0.64 -4.99 105.19 112.06 3dle n GLY 384 Ca 0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 3dle n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dle s LYS 385 N -3.53 0.84 0.18 1.61 -2.85 -1.25 -4.94 119.74 109.80 3dle s LYS 385 Ca 0.00 -0.53 -0.14 0.00 -1.00 0.00 0.00 55.97 54.31 3dle s LYS 385 Cb 0.00 0.36 -0.07 0.00 -2.06 0.00 0.00 37.83 36.06 3dle s LYS 385 CO 0.00 -0.28 0.58 0.95 0.10 0.00 0.00 175.35 176.70 3dle s THR 386 N -2.69 4.84 0.56 3.79 -4.23 -1.26 -3.38 115.64 113.27 3dle s THR 386 Ca -0.04 0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 61.21 3dle s THR 386 Cb -0.00 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.13 3dle s THR 386 CO -0.04 0.14 0.85 -2.16 -0.54 0.00 0.00 174.62 172.87 3dle s PRO 387 N -2.23 3.00 -0.19 3.99 0.04 -1.26 -4.74 135.00 133.60 3dle s PRO 387 Ca 0.42 -0.07 -0.15 0.00 0.04 0.00 0.00 61.00 61.24 3dle s PRO 387 Cb -0.14 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 3dle s PRO 387 CO 0.20 -0.59 0.36 0.21 0.04 0.00 0.00 177.00 177.22 3dle s LYS 388 N -4.90 4.20 0.14 4.56 2.20 0.11 -4.08 119.74 121.97 3dle s LYS 388 Ca 0.52 0.15 -0.09 0.00 -0.36 0.00 0.00 55.97 56.19 3dle s LYS 388 Cb -0.10 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.65 3dle s LYS 388 CO 0.44 0.06 0.45 -0.06 -0.36 0.00 0.00 175.35 175.88 3dle s PHE 389 N 1.01 3.53 -0.40 4.03 0.40 -0.67 -0.73 117.98 125.15 3dle s PHE 389 Ca 0.18 0.80 -0.05 0.00 -0.60 0.00 0.00 56.93 57.26 3dle s PHE 389 Cb -0.14 -2.18 0.09 0.00 0.51 0.00 0.00 43.02 41.30 3dle s PHE 389 CO 0.07 0.43 0.20 0.15 0.70 0.00 0.00 175.22 176.77 3dle s LYS 390 N -2.28 2.25 -0.17 0.44 -0.14 0.24 -0.68 119.74 119.41 3dle s LYS 390 Ca 0.39 -1.64 -0.14 0.00 -1.36 0.00 0.00 55.97 53.21 3dle s LYS 390 Cb -0.13 -3.60 -0.05 0.00 -1.68 0.00 0.00 37.83 32.37 3dle s LYS 390 CO 0.20 -0.98 0.31 -0.51 -0.76 0.00 0.00 175.35 173.61 3dle s LEU 391 N 1.25 4.23 -1.50 3.17 1.43 -0.06 -2.65 118.68 124.54 3dle s LEU 391 Ca 0.05 0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 53.56 3dle s LEU 391 Cb -0.23 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.60 3dle s LEU 391 CO -0.02 0.07 2.60 -0.81 0.23 0.00 0.00 176.35 178.43 3dle n PRO 392 N 3.70 3.71 -3.61 1.29 -0.04 -1.26 -1.34 135.00 137.45 3dle n PRO 392 Ca -0.11 -2.66 -0.14 0.00 -0.04 0.00 0.00 63.50 60.55 3dle n PRO 392 Cb 0.52 -2.88 -0.06 0.00 -0.04 0.00 0.00 33.50 31.04 3dle n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3dle s ILE 393 N 1.53 0.04 0.07 0.52 2.07 -1.26 -4.93 121.20 119.24 3dle s ILE 393 Ca 0.59 -0.31 -0.30 0.00 -1.41 0.00 0.00 60.65 59.23 3dle s ILE 393 Cb 0.17 -0.94 -0.05 0.00 0.13 0.00 0.00 42.46 41.76 3dle s ILE 393 CO -0.07 -0.17 1.01 -1.58 -1.91 0.00 0.00 174.94 172.23 3dle s GLN 394 N -2.28 4.60 0.25 3.50 0.74 -1.26 -4.55 119.66 120.67 3dle s GLN 394 Ca -0.06 1.51 -0.13 0.00 0.05 0.00 0.00 55.36 56.72 3dle s GLN 394 Cb -0.01 -3.39 0.33 0.00 1.10 0.00 0.00 33.01 31.04 3dle s GLN 394 CO -0.01 0.04 1.56 -0.22 -0.55 0.00 0.00 175.29 176.11 3dle h LYS 395 N 6.15 -0.01 -0.56 1.67 3.64 -1.96 0.30 116.57 125.80 3dle h LYS 395 Ca -0.42 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.00 3dle h LYS 395 Cb 1.21 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 3dle h LYS 395 CO 0.74 -0.00 0.31 0.93 -2.27 0.00 0.00 179.45 179.16 3dle h GLU 396 N -0.01 0.58 0.17 1.90 3.07 -1.99 0.65 114.58 118.96 3dle h GLU 396 Ca 0.40 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3dle h GLU 396 Cb 0.65 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3dle h GLU 396 CO -0.99 0.38 -0.12 1.15 -1.40 0.00 0.00 179.01 178.04 3dle h THR 397 N 0.60 0.75 0.60 1.13 2.02 -0.86 -2.34 112.91 114.81 3dle h THR 397 Ca 0.24 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 3dle h THR 397 Cb 0.11 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3dle h THR 397 CO -0.15 0.00 -0.32 -0.25 0.37 0.00 0.00 175.52 175.17 3dle h TRP 398 N -0.29 -0.84 0.00 3.16 2.91 -0.72 -3.05 115.95 117.12 3dle h TRP 398 Ca -0.01 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 3dle h TRP 398 Cb 0.25 0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 29.18 3dle h TRP 398 CO -0.09 -0.51 -0.02 0.93 -1.03 0.00 0.00 178.44 177.71 3dle h GLU 399 N -0.86 0.00 0.00 2.65 5.08 -0.92 -0.50 114.58 120.03 3dle h GLU 399 Ca -0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3dle h GLU 399 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3dle h GLU 399 CO 0.11 0.02 -0.44 1.15 -1.00 0.00 0.00 179.01 178.85 3dle h THR 400 N 0.00 1.26 0.00 1.13 2.02 -1.31 -3.40 112.91 112.60 3dle h THR 400 Ca -0.00 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.62 3dle h THR 400 Cb 0.04 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3dle h THR 400 CO 0.00 0.44 -0.39 0.79 0.37 0.00 0.00 175.52 176.73 3dle n TRP 401 N -3.92 0.00 -0.34 3.16 8.01 -0.93 -4.89 117.44 118.53 3dle n TRP 401 Ca -0.01 0.00 0.27 0.00 -1.31 0.00 0.00 57.50 56.45 3dle n TRP 401 Cb 0.48 0.00 0.58 0.00 -2.01 0.00 0.00 31.31 30.36 3dle n TRP 401 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.69 176.79 3dle h TRP 402 N 0.00 0.51 0.00 -5.99 5.08 -1.32 0.24 115.95 114.47 3dle h TRP 402 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3dle h TRP 402 Cb 0.00 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 26.02 3dle h TRP 402 CO 0.00 0.01 0.00 1.79 -1.28 0.00 0.00 178.44 178.96 3dle h THR 403 N 0.27 0.00 0.00 0.12 1.35 -1.88 -2.14 112.91 110.64 3dle h THR 403 Ca 0.62 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 66.07 3dle h THR 403 Cb 1.82 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 69.53 3dle h THR 403 CO -0.26 0.00 -0.04 -0.33 -0.25 0.00 0.00 175.52 174.65 3dle h GLU 404 N 0.00 0.00 0.00 4.72 4.39 -0.88 -3.13 114.58 119.68 3dle h GLU 404 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dle h GLU 404 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3dle h GLU 404 CO 0.00 0.04 0.00 0.66 -1.16 0.00 0.00 179.01 178.55 3dle n TYR 405 N -3.31 0.00 -2.06 4.33 4.02 -0.95 -5.01 117.16 114.18 3dle n TYR 405 Ca -0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.49 3dle n TYR 405 Cb 0.18 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.50 3dle n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3dle s TRP 406 N -0.27 2.70 0.00 -0.72 -0.11 -0.85 -4.90 118.94 114.80 3dle s TRP 406 Ca 0.00 1.45 0.00 0.00 1.22 0.00 0.00 56.10 58.77 3dle s TRP 406 Cb 0.00 -3.59 0.00 0.00 -1.50 0.00 0.00 33.47 28.38 3dle s TRP 406 CO 0.00 -2.07 0.01 1.04 -4.62 0.00 0.00 176.95 171.31 3dle n GLN 407 N -0.41 0.56 -2.29 5.86 6.02 -1.26 -4.50 117.38 121.36 3dle n GLN 407 Ca 0.07 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.74 3dle n GLN 407 Cb 0.46 -0.15 -0.01 0.00 1.02 0.00 0.00 30.24 31.56 3dle n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dle s ALA 408 N -0.08 3.19 -0.33 -1.58 0.00 -1.26 -4.75 121.76 116.95 3dle s ALA 408 Ca 0.00 -0.13 0.21 0.00 0.00 0.00 0.00 51.96 52.04 3dle s ALA 408 Cb 0.00 -2.93 0.19 0.00 0.00 0.00 0.00 23.12 20.38 3dle s ALA 408 CO 0.00 -0.42 1.41 1.79 0.00 0.00 0.00 175.76 178.54 3dle h THR 409 N 0.27 0.16 -1.08 0.00 1.35 -2.00 -3.46 112.91 108.15 3dle h THR 409 Ca -0.46 -1.24 -0.47 0.00 -0.55 0.00 0.00 66.41 63.69 3dle h THR 409 Cb 1.19 1.95 0.02 0.00 -1.73 0.00 0.00 68.15 69.58 3dle h THR 409 CO 0.62 0.09 -0.19 -1.66 -0.25 0.00 0.00 175.52 174.13 3dle s TRP 410 N -3.19 2.05 -0.11 4.73 1.48 -1.26 -4.76 118.94 117.89 3dle s TRP 410 Ca 0.04 -0.59 -0.04 0.00 -1.06 0.00 0.00 56.10 54.45 3dle s TRP 410 Cb 0.07 -2.26 0.05 0.00 -1.16 0.00 0.00 33.47 30.17 3dle s TRP 410 CO 0.72 -0.77 0.23 0.42 -4.06 0.00 0.00 176.95 173.49 3dle s ILE 411 N -2.53 -0.23 0.90 0.66 1.01 -1.26 -5.02 121.20 114.72 3dle s ILE 411 Ca 0.57 0.24 -0.14 0.00 0.00 0.00 0.00 60.65 61.33 3dle s ILE 411 Cb -0.07 -0.38 0.16 0.00 0.01 0.00 0.00 42.46 42.19 3dle s ILE 411 CO 0.35 0.10 1.26 -2.16 0.00 0.00 0.00 174.94 174.49 3dle s PRO 412 N 1.92 1.06 0.38 2.79 0.04 -1.26 -4.96 135.00 134.96 3dle s PRO 412 Ca -0.03 -0.35 -0.03 0.00 0.04 0.00 0.00 61.00 60.64 3dle s PRO 412 Cb -0.11 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3dle s PRO 412 CO -0.08 -2.12 0.62 -1.21 0.04 0.00 0.00 177.00 174.25 3dle s GLU 413 N -5.74 3.54 -0.03 4.56 0.41 -1.26 -5.01 118.70 115.17 3dle s GLU 413 Ca 0.70 -0.09 -0.29 0.00 -0.41 0.00 0.00 54.97 54.88 3dle s GLU 413 Cb -0.06 -2.57 0.08 0.00 -1.78 0.00 0.00 34.13 29.81 3dle s GLU 413 CO 0.51 0.05 0.74 1.67 -0.49 0.00 0.00 175.26 177.74 3dle s TRP 414 N -2.40 -0.56 0.10 1.61 -2.14 -1.26 -1.68 118.94 112.62 3dle s TRP 414 Ca 0.43 0.83 0.02 0.00 2.66 0.00 0.00 56.10 60.04 3dle s TRP 414 Cb -0.10 0.45 -0.04 0.00 -3.10 0.00 0.00 33.47 30.68 3dle s TRP 414 CO 0.37 -0.60 -0.06 -1.83 -2.66 0.00 0.00 176.95 172.17 3dle s GLU 415 N -1.76 0.86 -0.14 3.25 -1.05 0.14 -4.94 118.70 115.07 3dle s GLU 415 Ca -0.06 -1.35 -0.04 0.00 -0.15 0.00 0.00 54.97 53.37 3dle s GLU 415 Cb -0.00 -0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.42 3dle s GLU 415 CO 0.03 -0.02 -0.01 -0.06 0.95 0.00 0.00 175.26 176.15 3dle s PHE 416 N -3.61 3.09 0.37 4.83 0.40 -1.26 -0.88 117.98 120.91 3dle s PHE 416 Ca 0.13 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 3dle s PHE 416 Cb 0.05 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 3dle s PHE 416 CO -0.04 0.12 0.10 0.14 0.70 0.00 0.00 175.22 176.24 3dle s VAL 417 N 0.04 0.80 -0.43 -0.44 -7.23 -0.45 -4.90 120.40 107.79 3dle s VAL 417 Ca 0.02 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 3dle s VAL 417 Cb -0.13 -2.52 0.11 0.00 0.56 0.00 0.00 36.38 34.40 3dle s VAL 417 CO 0.02 0.00 0.25 0.20 -0.31 0.00 0.00 175.10 175.26 3dle s ASN 418 N -3.54 5.41 -0.21 4.85 0.01 -1.26 -4.35 114.94 115.85 3dle s ASN 418 Ca 0.29 -1.95 -0.38 0.00 -0.71 0.00 0.00 52.86 50.11 3dle s ASN 418 Cb 0.05 -1.89 -0.15 0.00 0.41 0.00 0.00 41.25 39.67 3dle s ASN 418 CO 0.15 -0.59 1.78 0.41 -1.51 0.00 0.00 177.10 177.34 3dle n THR 419 N 4.71 0.38 -2.11 1.60 -1.04 -1.26 -4.90 114.28 111.65 3dle n THR 419 Ca -0.05 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 3dle n THR 419 Cb 0.41 -1.41 -0.03 0.00 -1.82 0.00 0.00 70.33 67.48 3dle n THR 419 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3dle s PRO 420 N 3.62 4.29 0.36 -2.82 0.02 -1.26 -4.90 135.00 134.32 3dle s PRO 420 Ca 0.96 2.14 0.18 0.00 0.02 0.00 0.00 61.00 64.30 3dle s PRO 420 Cb -0.96 -3.27 1.20 0.00 0.02 0.00 0.00 34.50 31.50 3dle s PRO 420 CO 0.61 -0.50 1.64 -1.35 -0.33 0.00 0.00 177.00 177.07 3dle h PRO 421 N 6.94 0.20 0.04 5.54 0.11 -2.02 -2.19 132.00 140.62 3dle h PRO 421 Ca -0.42 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.43 3dle h PRO 421 Cb 1.21 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dle h PRO 421 CO 0.88 0.13 -1.03 -0.07 -0.21 0.00 0.00 178.00 177.70 3dle h LEU 422 N 0.21 0.58 -1.68 2.35 3.38 -1.99 -2.98 115.31 115.18 3dle h LEU 422 Ca 0.78 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 58.28 3dle h LEU 422 Cb 1.94 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 3dle h LEU 422 CO -0.63 1.31 0.26 0.58 0.09 0.00 0.00 178.44 180.06 3dle h VAL 423 N 0.22 1.03 -0.03 1.22 2.07 -1.79 0.21 116.25 119.19 3dle h VAL 423 Ca -0.10 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 3dle h VAL 423 Cb 1.69 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3dle h VAL 423 CO 0.18 0.08 -0.37 0.50 0.02 0.00 0.00 177.57 177.98 3dle h LYS 424 N 0.43 0.30 -0.89 1.57 3.11 -1.61 -2.85 116.57 116.63 3dle h LYS 424 Ca 0.16 -0.29 0.01 0.00 -2.81 0.00 0.00 60.65 57.73 3dle h LYS 424 Cb 0.11 0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.36 3dle h LYS 424 CO -0.04 0.96 0.59 -0.07 -2.81 0.00 0.00 179.45 178.09 3dle h LEU 425 N -0.25 1.02 0.76 5.20 4.07 -1.22 -1.97 115.31 122.91 3dle h LEU 425 Ca -0.04 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 3dle h LEU 425 Cb 1.07 -0.25 0.01 0.00 1.08 0.00 0.00 40.66 42.57 3dle h LEU 425 CO 0.07 0.73 -0.37 -0.25 -1.08 0.00 0.00 178.44 177.55 3dle h TRP 426 N 1.20 -0.95 0.00 1.13 2.91 -0.65 -3.14 115.95 116.44 3dle h TRP 426 Ca 0.33 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.33 3dle h TRP 426 Cb -0.12 0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 3dle h TRP 426 CO -0.01 -0.58 0.00 0.66 -1.03 0.00 0.00 178.44 177.48 3dle n TYR 427 N -5.47 0.00 0.17 2.65 4.01 -1.08 -1.20 117.16 116.24 3dle n TYR 427 Ca -0.13 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.65 3dle n TYR 427 Cb 0.41 -0.28 0.24 0.00 -0.31 0.00 0.00 39.34 39.41 3dle n TYR 427 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3dle h GLN 428 N 0.00 0.00 0.00 -0.72 4.15 -1.30 -2.97 115.11 114.27 3dle h GLN 428 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3dle h GLN 428 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3dle h GLN 428 CO 0.00 0.45 0.00 1.28 -1.93 0.00 0.00 178.83 178.63 3dle n LEU 429 N -3.48 0.00 -4.57 -2.39 4.32 -0.34 -4.89 117.00 105.64 3dle n LEU 429 Ca 0.00 0.39 -0.41 0.00 -0.02 0.00 0.00 56.01 55.97 3dle n LEU 429 Cb 0.58 -0.39 0.01 0.00 -1.62 0.00 0.00 43.42 42.00 3dle n LEU 429 CO 0.38 -0.16 0.46 1.21 -1.22 0.00 0.00 177.39 178.07 3dle n GLU 430 N -1.39 1.14 -2.59 3.23 2.13 -1.12 -1.77 120.64 120.26 3dle n GLU 430 Ca 0.06 0.41 -0.38 0.00 0.66 0.00 0.00 57.16 57.91 3dle n GLU 430 Cb 0.17 -1.91 -0.05 0.00 0.27 0.00 0.00 31.44 29.92 3dle n GLU 430 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3dle s LYS 431 N -1.94 4.45 0.00 5.31 2.20 0.54 -4.77 119.74 125.53 3dle s LYS 431 Ca 0.64 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 3dle s LYS 431 Cb -0.57 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 3dle s LYS 431 CO 0.57 0.11 0.39 0.39 -0.36 0.00 0.00 175.35 176.44