#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1u s ILE 5 N 0.00 2.90 -0.16 0.52 2.07 -1.26 -5.08 121.20 120.19 1s1u s ILE 5 Ca 0.00 -2.14 -0.39 0.00 -1.41 0.00 0.00 60.65 56.71 1s1u s ILE 5 Cb 0.00 -2.52 -0.18 0.00 0.13 0.00 0.00 42.46 39.89 1s1u s ILE 5 CO 0.00 -0.35 1.15 -0.62 -1.91 0.00 0.00 174.94 173.20 1s1u n GLU 6 N -0.63 0.00 -3.19 3.50 -0.58 -1.26 -4.73 120.64 113.75 1s1u n GLU 6 Ca -0.06 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.29 1s1u n GLU 6 Cb 0.59 -1.37 -0.06 0.00 -0.57 0.00 0.00 31.44 30.03 1s1u n GLU 6 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1s1u s THR 7 N 0.97 4.67 -0.09 2.62 -1.32 -1.26 -4.93 115.64 116.29 1s1u s THR 7 Ca 0.88 1.35 -0.25 0.00 -1.21 0.00 0.00 61.69 62.45 1s1u s THR 7 Cb -1.23 -3.97 -0.03 0.00 -1.51 0.00 0.00 72.50 65.76 1s1u s THR 7 CO 0.60 0.53 0.81 -0.69 -2.21 0.00 0.00 174.62 173.65 1s1u s VAL 8 N -0.99 4.95 -0.07 5.08 1.01 -1.26 -4.92 120.40 124.20 1s1u s VAL 8 Ca 0.31 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.63 1s1u s VAL 8 Cb -0.20 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1s1u s VAL 8 CO 0.21 0.15 1.35 -2.16 0.00 0.00 0.00 175.10 174.65 1s1u s PRO 9 N 1.31 4.27 0.26 2.72 0.04 -1.26 -3.73 135.00 138.61 1s1u s PRO 9 Ca 0.41 1.83 0.10 0.00 0.04 0.00 0.00 61.00 63.38 1s1u s PRO 9 Cb -0.18 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1s1u s PRO 9 CO 0.18 -0.63 -0.04 0.08 0.04 0.00 0.00 177.00 176.64 1s1u s VAL 10 N 2.95 3.31 0.04 -0.36 1.01 -1.26 -5.07 120.40 121.02 1s1u s VAL 10 Ca 0.60 -1.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.54 1s1u s VAL 10 Cb -0.27 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1s1u s VAL 10 CO 0.22 -0.36 0.19 -0.54 0.00 0.00 0.00 175.10 174.61 1s1u s LYS 11 N -3.58 0.69 0.52 2.72 1.02 -1.26 -4.83 119.74 115.01 1s1u s LYS 11 Ca 0.31 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.58 1s1u s LYS 11 Cb -0.06 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 1s1u s LYS 11 CO 0.19 -0.20 0.84 -0.51 -0.92 0.00 0.00 175.35 174.76 1s1u s LEU 12 N -2.11 3.52 0.47 3.17 1.43 -1.26 -1.82 118.68 122.08 1s1u s LEU 12 Ca -0.05 1.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.82 1s1u s LEU 12 Cb -0.01 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.15 1s1u s LEU 12 CO -0.04 -0.67 1.41 0.29 0.23 0.00 0.00 176.35 177.56 1s1u n LYS 13 N -2.39 2.12 -1.60 1.70 5.02 0.36 -4.55 118.16 118.82 1s1u n LYS 13 Ca 0.02 0.76 -0.45 0.00 -2.02 0.00 0.00 58.31 56.62 1s1u n LYS 13 Cb 0.55 -2.61 -0.02 0.00 -0.02 0.00 0.00 35.03 32.94 1s1u n LYS 13 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1s1u n PRO 14 N -0.36 1.40 -1.94 1.97 -0.04 -1.26 -2.41 135.00 132.36 1s1u n PRO 14 Ca 0.06 0.49 -0.13 0.00 -0.04 0.00 0.00 63.50 63.88 1s1u n PRO 14 Cb 0.42 -1.89 -0.02 0.00 -0.04 0.00 0.00 33.50 31.97 1s1u n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s1u n GLY 15 N 1.28 0.39 3.17 0.55 0.00 -1.26 -5.01 105.19 104.31 1s1u n GLY 15 Ca 0.10 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1s1u n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s1u s MET 16 N -4.11 1.08 0.28 1.61 -1.94 -1.01 -5.14 119.30 110.06 1s1u s MET 16 Ca 0.00 -0.79 0.06 0.00 -1.71 0.00 0.00 55.69 53.26 1s1u s MET 16 Cb 0.00 -1.11 -0.03 0.00 2.01 0.00 0.00 34.83 35.70 1s1u s MET 16 CO 0.00 0.28 0.31 0.34 -0.01 0.00 0.00 175.02 175.94 1s1u s ASP 17 N -1.08 5.77 1.11 3.03 2.15 -1.26 -4.83 116.67 121.56 1s1u s ASP 17 Ca 0.04 -0.20 -0.12 0.00 0.43 0.00 0.00 52.55 52.69 1s1u s ASP 17 Cb -0.08 -1.41 0.25 0.00 -0.30 0.00 0.00 42.92 41.38 1s1u s ASP 17 CO 0.01 -0.18 1.06 -0.83 -0.17 0.00 0.00 175.17 175.06 1s1u s GLY 18 N -3.97 1.58 0.15 2.66 0.00 -1.26 -4.93 107.32 101.56 1s1u s GLY 18 Ca 0.37 0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.87 1s1u s GLY 18 CO 0.27 0.73 1.19 2.56 0.00 0.00 0.00 173.10 177.86 1s1u s PRO 19 N -4.48 4.49 -0.59 2.90 0.04 -1.26 -4.96 135.00 131.13 1s1u s PRO 19 Ca 0.68 1.83 0.05 0.00 0.04 0.00 0.00 61.00 63.61 1s1u s PRO 19 Cb -0.25 -3.27 0.19 0.00 0.04 0.00 0.00 34.50 31.21 1s1u s PRO 19 CO 0.63 -0.11 0.51 1.17 0.04 0.00 0.00 177.00 179.24 1s1u n LYS 20 N 2.84 1.45 -5.16 4.56 3.00 -1.26 -0.59 118.16 122.99 1s1u n LYS 20 Ca 0.05 -4.08 -0.31 0.00 -0.00 0.00 0.00 58.31 53.97 1s1u n LYS 20 Cb 0.45 -2.03 -0.17 0.00 0.00 0.00 0.00 35.03 33.28 1s1u n LYS 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s1u s VAL 21 N -1.25 1.95 0.35 3.15 0.11 -0.73 -4.89 120.40 119.10 1s1u s VAL 21 Ca 0.31 -0.97 -0.26 0.00 -2.93 0.00 0.00 61.98 58.12 1s1u s VAL 21 Cb 0.03 -1.68 -0.12 0.00 -1.53 0.00 0.00 36.38 33.08 1s1u s VAL 21 CO -0.14 0.54 1.02 1.17 -3.33 0.00 0.00 175.10 174.36 1s1u n LYS 22 N 3.39 1.42 -2.95 1.54 4.81 -1.26 -4.23 118.16 120.87 1s1u n LYS 22 Ca -0.19 0.50 -0.40 0.00 -0.87 0.00 0.00 58.31 57.35 1s1u n LYS 22 Cb 0.53 -1.96 -0.05 0.00 0.02 0.00 0.00 35.03 33.57 1s1u n LYS 22 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1s1u s GLN 23 N -1.76 4.52 0.52 1.64 2.00 -1.26 -4.65 119.66 120.67 1s1u s GLN 23 Ca 0.60 1.11 -0.22 0.00 -2.00 0.00 0.00 55.36 54.85 1s1u s GLN 23 Cb -0.63 -3.37 -0.06 0.00 0.80 0.00 0.00 33.01 29.76 1s1u s GLN 23 CO 0.59 0.26 1.30 -1.58 -0.50 0.00 0.00 175.29 175.37 1s1u s TRP 24 N -0.01 2.46 -0.04 1.67 0.51 -1.26 -4.90 118.94 117.36 1s1u s TRP 24 Ca 0.40 1.42 -0.30 0.00 -2.12 0.00 0.00 56.10 55.50 1s1u s TRP 24 Cb -0.21 -3.68 -0.06 0.00 -0.81 0.00 0.00 33.47 28.72 1s1u s TRP 24 CO 0.24 -2.49 1.62 -2.14 -0.51 0.00 0.00 176.95 173.66 1s1u s PRO 25 N -2.85 4.19 0.00 4.98 0.02 -1.26 -4.98 135.00 135.11 1s1u s PRO 25 Ca 0.69 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.88 1s1u s PRO 25 Cb -0.37 -3.90 0.00 0.00 0.02 0.00 0.00 34.50 30.25 1s1u s PRO 25 CO 0.44 -0.81 0.00 1.28 -0.33 0.00 0.00 177.00 177.58 1s1u n LEU 26 N 6.79 0.00 -4.58 -5.54 4.77 -1.26 -5.12 117.00 112.06 1s1u n LEU 26 Ca 0.17 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.88 1s1u n LEU 26 Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1s1u n LEU 26 CO 0.62 -0.24 -0.40 -0.89 -1.33 0.00 0.00 177.39 175.15 1s1u s THR 27 N 0.86 3.25 0.30 -5.08 2.01 -1.26 -4.99 115.64 110.72 1s1u s THR 27 Ca 0.00 -1.63 -0.02 0.00 0.31 0.00 0.00 61.69 60.35 1s1u s THR 27 Cb 0.00 -2.61 0.24 0.00 0.01 0.00 0.00 72.50 70.13 1s1u s THR 27 CO 0.00 -0.11 1.94 -0.08 -0.69 0.00 0.00 174.62 175.68 1s1u h GLU 28 N 2.89 1.01 -0.29 4.92 4.81 -1.98 0.34 114.58 126.28 1s1u h GLU 28 Ca -0.47 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1s1u h GLU 28 Cb 1.20 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1s1u h GLU 28 CO 0.55 0.72 0.12 1.49 -0.73 0.00 0.00 179.01 181.16 1s1u h GLU 29 N 1.03 0.26 -0.11 1.92 4.81 -2.00 -0.84 114.58 119.64 1s1u h GLU 29 Ca 0.27 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.29 1s1u h GLU 29 Cb -0.03 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1s1u h GLU 29 CO -0.05 0.17 -0.71 0.87 -0.73 0.00 0.00 179.01 178.56 1s1u h LYS 30 N 0.27 0.52 -0.85 1.92 1.57 -1.83 -2.93 116.57 115.23 1s1u h LYS 30 Ca 0.13 -0.41 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1s1u h LYS 30 Cb 0.07 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1s1u h LYS 30 CO -0.11 1.03 0.56 0.82 -0.57 0.00 0.00 179.45 181.18 1s1u h ILE 31 N 0.36 1.13 0.63 1.86 2.04 0.01 -1.62 117.51 121.93 1s1u h ILE 31 Ca -0.03 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1s1u h ILE 31 Cb 1.30 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1s1u h ILE 31 CO 0.13 0.19 -0.30 0.11 0.00 0.00 0.00 178.15 178.28 1s1u h LYS 32 N 1.05 -0.82 -0.44 2.37 1.57 -1.04 -2.30 116.57 116.97 1s1u h LYS 32 Ca 0.34 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.27 1s1u h LYS 32 Cb 0.04 0.19 -0.09 0.00 0.08 0.00 0.00 32.23 32.45 1s1u h LYS 32 CO -0.10 -0.51 -0.17 0.00 -0.57 0.00 0.00 179.45 178.10 1s1u h ALA 33 N -0.68 0.19 -0.58 3.86 0.00 -1.30 -2.26 119.26 118.48 1s1u h ALA 33 Ca -0.09 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1s1u h ALA 33 Cb 0.69 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1s1u h ALA 33 CO 0.14 -0.51 0.25 -0.07 0.00 0.00 0.00 179.25 179.05 1s1u h LEU 34 N -0.07 0.30 -1.42 0.00 3.38 -1.28 -1.49 115.31 114.73 1s1u h LEU 34 Ca 0.21 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1s1u h LEU 34 Cb 0.40 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1s1u h LEU 34 CO -0.49 0.19 -0.04 0.58 0.09 0.00 0.00 178.44 178.77 1s1u h VAL 35 N 0.46 1.16 -0.30 1.22 2.07 -0.85 0.17 116.25 120.18 1s1u h VAL 35 Ca 0.28 -0.66 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 1s1u h VAL 35 Cb 0.28 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1s1u h VAL 35 CO -0.25 0.22 -0.48 -0.33 0.02 0.00 0.00 177.57 176.76 1s1u h GLU 36 N 0.33 0.80 -0.10 1.57 5.08 -0.88 -2.15 114.58 119.22 1s1u h GLU 36 Ca 0.07 -0.47 -0.11 0.00 -1.00 0.00 0.00 59.36 57.85 1s1u h GLU 36 Cb 0.29 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1s1u h GLU 36 CO 0.01 1.10 -0.37 0.82 -1.00 0.00 0.00 179.01 179.57 1s1u h ILE 37 N 0.63 1.39 0.00 3.13 2.04 -0.74 -1.02 117.51 122.94 1s1u h ILE 37 Ca 0.03 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 1s1u h ILE 37 Cb 1.06 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1s1u h ILE 37 CO 0.10 0.51 -0.14 0.00 0.00 0.00 0.00 178.15 178.62 1s1u h THR 39 N 0.00 1.37 -0.31 0.00 2.02 -1.38 -0.38 112.91 114.23 1s1u h THR 39 Ca -0.00 -2.49 0.07 0.00 0.77 0.00 0.00 66.41 64.76 1s1u h THR 39 Cb 0.61 3.05 -0.07 0.00 -1.74 0.00 0.00 68.15 69.99 1s1u h THR 39 CO 0.02 0.70 -0.20 -0.08 0.37 0.00 0.00 175.52 176.33 1s1u h GLU 40 N -0.38 -0.16 -0.71 6.66 4.57 -0.93 -2.21 114.58 121.43 1s1u h GLU 40 Ca -0.19 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1s1u h GLU 40 Cb 1.66 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.25 1s1u h GLU 40 CO 0.12 -0.11 0.29 0.52 -1.18 0.00 0.00 179.01 178.65 1s1u h MET 41 N -0.16 1.05 0.00 1.92 2.86 -1.10 -2.92 114.93 116.58 1s1u h MET 41 Ca 0.16 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1s1u h MET 41 Cb 0.41 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1s1u h MET 41 CO -0.41 0.85 -0.20 1.49 1.06 0.00 0.00 176.91 179.70 1s1u h GLU 42 N 1.03 0.00 0.00 1.72 4.81 -0.53 -1.90 114.58 119.71 1s1u h GLU 42 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1s1u h GLU 42 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1s1u h GLU 42 CO -0.02 0.20 -0.28 1.63 -0.73 0.00 0.00 179.01 179.80 1s1u n LYS 43 N -3.41 0.10 -0.17 1.92 4.76 -0.88 -2.75 118.16 117.74 1s1u n LYS 43 Ca -0.00 0.05 0.11 0.00 -2.87 0.00 0.00 58.31 55.60 1s1u n LYS 43 Cb 0.39 -1.59 0.19 0.00 -1.84 0.00 0.00 35.03 32.19 1s1u n LYS 43 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1s1u n GLU 44 N -1.74 2.38 0.00 1.97 1.02 -0.76 -4.98 120.64 118.53 1s1u n GLU 44 Ca 0.06 -2.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 1s1u n GLU 44 Cb 0.37 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1s1u n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s1u n GLY 45 N 1.36 2.83 0.34 0.62 0.00 -0.91 -4.87 105.19 104.56 1s1u n GLY 45 Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 1s1u n GLY 45 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1s1u h LYS 46 N 0.74 0.00 -3.74 1.61 2.10 -1.80 -3.43 116.57 112.06 1s1u h LYS 46 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1s1u h LYS 46 Cb 0.00 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.18 1s1u h LYS 46 CO 0.00 0.00 -0.36 0.96 -2.00 0.00 0.00 179.45 178.05 1s1u s ILE 47 N -4.17 0.13 -0.14 0.07 -4.36 -1.24 -0.34 121.20 111.16 1s1u s ILE 47 Ca -0.04 -1.10 -0.15 0.00 -0.26 0.00 0.00 60.65 59.10 1s1u s ILE 47 Cb 0.11 -1.25 0.04 0.00 1.25 0.00 0.00 42.46 42.61 1s1u s ILE 47 CO 0.34 -0.61 0.41 -0.44 0.24 0.00 0.00 174.94 174.89 1s1u s SER 48 N -2.70 -0.42 0.49 4.36 0.01 -1.03 -4.13 113.70 110.28 1s1u s SER 48 Ca 0.03 0.75 -0.23 0.00 1.31 0.00 0.00 55.95 57.81 1s1u s SER 48 Cb 0.04 0.78 -0.07 0.00 0.21 0.00 0.00 66.02 66.98 1s1u s SER 48 CO -0.10 -0.19 1.24 0.29 0.41 0.00 0.00 173.24 174.89 1s1u n LYS 49 N 2.61 1.67 -4.38 12.44 5.02 -1.26 -2.60 118.16 131.66 1s1u n LYS 49 Ca -0.14 0.60 -0.20 0.00 -2.02 0.00 0.00 58.31 56.55 1s1u n LYS 49 Cb 0.57 -2.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.07 1s1u n LYS 49 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1s1u s ILE 50 N -1.28 1.72 0.69 -0.18 -4.36 0.24 -4.91 121.20 113.12 1s1u s ILE 50 Ca 0.67 -2.18 -0.09 0.00 -0.26 0.00 0.00 60.65 58.78 1s1u s ILE 50 Cb -0.46 -2.21 0.03 0.00 1.25 0.00 0.00 42.46 41.06 1s1u s ILE 50 CO 0.53 -0.47 1.04 -0.83 0.24 0.00 0.00 174.94 175.45 1s1u s GLY 51 N -3.37 1.62 0.00 6.27 0.00 -1.26 -4.65 107.32 105.94 1s1u s GLY 51 Ca 0.26 -0.59 0.08 0.00 0.00 0.00 0.00 44.72 44.47 1s1u s GLY 51 CO 0.09 -0.22 0.89 -1.05 0.00 0.00 0.00 173.10 172.81 1s1u n PRO 52 N -2.93 0.28 -0.23 2.90 -0.02 -1.26 -2.48 135.00 131.27 1s1u n PRO 52 Ca 0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.53 1s1u n PRO 52 Cb 0.58 -1.43 0.10 0.00 -0.02 0.00 0.00 33.50 32.73 1s1u n PRO 52 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1s1u h GLU 53 N 0.00 0.64 -6.24 -0.52 4.57 -2.04 -3.40 114.58 107.59 1s1u h GLU 53 Ca 0.00 -0.04 -0.56 0.00 -1.18 0.00 0.00 59.36 57.59 1s1u h GLU 53 Cb 0.00 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1s1u h GLU 53 CO 0.00 0.42 0.95 1.21 -1.18 0.00 0.00 179.01 180.41 1s1u s ASN 54 N -5.57 6.83 0.01 1.04 3.84 -1.03 -4.92 114.94 115.13 1s1u s ASN 54 Ca -0.13 1.97 0.22 0.00 0.21 0.00 0.00 52.86 55.14 1s1u s ASN 54 Cb 0.16 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 38.30 1s1u s ASN 54 CO 0.76 -0.81 1.00 -0.81 -2.79 0.00 0.00 177.10 174.45 1s1u n PRO 55 N 6.54 0.14 -1.58 0.43 -0.04 -1.26 -4.98 135.00 134.25 1s1u n PRO 55 Ca 0.15 -0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 1s1u n PRO 55 Cb 0.44 -1.53 0.05 0.00 -0.04 0.00 0.00 33.50 32.42 1s1u n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1s1u s TYR 56 N -3.10 3.10 -0.28 0.54 2.02 -1.26 -4.84 117.35 113.53 1s1u s TYR 56 Ca 0.06 1.39 -0.24 0.00 -0.37 0.00 0.00 57.07 57.91 1s1u s TYR 56 Cb 0.16 -2.90 0.12 0.00 -0.40 0.00 0.00 41.96 38.94 1s1u s TYR 56 CO 0.82 -1.27 1.00 1.21 -1.57 0.00 0.00 175.55 175.74 1s1u s ASN 57 N -3.82 -0.48 -0.07 2.29 2.47 0.24 -4.71 114.94 110.86 1s1u s ASN 57 Ca 0.58 0.91 0.02 0.00 0.42 0.00 0.00 52.86 54.80 1s1u s ASN 57 Cb -0.14 0.96 0.01 0.00 -1.45 0.00 0.00 41.25 40.63 1s1u s ASN 57 CO 0.55 -0.16 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.74 1s1u s THR 58 N 0.37 1.29 0.19 -5.21 2.01 0.48 -1.77 115.64 112.99 1s1u s THR 58 Ca 0.02 -0.57 -0.33 0.00 0.31 0.00 0.00 61.69 61.12 1s1u s THR 58 Cb -0.05 -1.16 -0.13 0.00 0.01 0.00 0.00 72.50 71.17 1s1u s THR 58 CO -0.07 0.39 1.57 -2.65 -0.69 0.00 0.00 174.62 173.17 1s1u n PRO 59 N 3.78 2.26 -4.41 4.92 -0.02 -1.26 -4.26 135.00 136.02 1s1u n PRO 59 Ca -0.22 0.81 -0.21 0.00 -2.02 0.00 0.00 63.50 61.86 1s1u n PRO 59 Cb 0.52 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 1s1u n PRO 59 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s1u s VAL 60 N 0.69 1.95 0.16 -1.45 1.01 -1.26 -1.87 120.40 119.62 1s1u s VAL 60 Ca 0.75 -2.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.24 1s1u s VAL 60 Cb -0.63 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 33.56 1s1u s VAL 60 CO 0.40 -0.45 0.81 0.72 0.00 0.00 0.00 175.10 176.58 1s1u s PHE 61 N -2.83 -0.27 -0.15 5.22 -0.00 -0.46 -4.75 117.98 114.74 1s1u s PHE 61 Ca 0.27 -0.03 -0.02 0.00 -0.00 0.00 0.00 56.93 57.15 1s1u s PHE 61 Cb -0.01 0.62 -0.02 0.00 -0.00 0.00 0.00 43.02 43.62 1s1u s PHE 61 CO 0.11 -0.89 -0.08 0.00 -0.00 0.00 0.00 175.22 174.36 1s1u s ALA 62 N -3.51 2.80 -0.00 1.99 0.00 -1.26 -1.35 121.76 120.43 1s1u s ALA 62 Ca 0.08 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1s1u s ALA 62 Cb -0.02 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 1s1u s ALA 62 CO -0.02 0.15 -0.05 0.42 0.00 0.00 0.00 175.76 176.26 1s1u s ILE 63 N 0.50 0.38 0.85 0.00 1.09 -0.37 -4.94 121.20 118.71 1s1u s ILE 63 Ca -0.06 -0.20 -0.13 0.00 -1.10 0.00 0.00 60.65 59.16 1s1u s ILE 63 Cb -0.15 -0.33 0.12 0.00 -1.06 0.00 0.00 42.46 41.04 1s1u s ILE 63 CO 0.03 0.11 1.21 -0.54 -0.10 0.00 0.00 174.94 175.65 1s1u s LYS 64 N -0.10 1.57 0.82 2.79 1.02 -1.26 0.12 119.74 124.70 1s1u s LYS 64 Ca 0.02 -0.09 -0.11 0.00 0.02 0.00 0.00 55.97 55.80 1s1u s LYS 64 Cb -0.02 -1.94 0.08 0.00 -0.52 0.00 0.00 37.83 35.43 1s1u s LYS 64 CO -0.00 -1.82 1.09 0.21 -0.92 0.00 0.00 175.35 173.91 1s1u s LYS 65 N -5.65 1.90 -0.11 1.68 2.20 0.59 -4.69 119.74 115.67 1s1u s LYS 65 Ca 0.66 1.02 -0.28 0.00 -0.36 0.00 0.00 55.97 57.00 1s1u s LYS 65 Cb -0.09 -1.87 -0.02 0.00 -1.51 0.00 0.00 37.83 34.35 1s1u s LYS 65 CO 0.50 -1.85 0.93 0.21 -0.36 0.00 0.00 175.35 174.78 1s1u s LYS 66 N -4.93 4.40 -0.33 4.03 2.47 -1.26 -3.32 119.74 120.81 1s1u s LYS 66 Ca 0.62 1.25 0.00 0.00 -1.56 0.00 0.00 55.97 56.28 1s1u s LYS 66 Cb -0.17 -3.53 0.00 0.00 -1.46 0.00 0.00 37.83 32.66 1s1u s LYS 66 CO 0.56 -0.26 0.00 -3.47 0.16 0.00 0.00 175.35 172.34 1s1u n ASP 67 N 4.86 -5.26 -4.25 1.43 4.64 -1.26 -4.96 116.55 111.75 1s1u n ASP 67 Ca 0.06 0.08 -0.26 0.00 -1.38 0.00 0.00 54.79 53.29 1s1u n ASP 67 Cb 0.49 -3.04 -0.15 0.00 -1.04 0.00 0.00 41.12 37.39 1s1u n ASP 67 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1s1u s SER 68 N -2.16 2.51 -1.05 1.67 0.15 -1.21 -5.04 113.70 108.58 1s1u s SER 68 Ca 0.00 -0.48 -0.04 0.00 0.70 0.00 0.00 55.95 56.13 1s1u s SER 68 Cb 0.00 -0.23 0.18 0.00 -1.71 0.00 0.00 66.02 64.26 1s1u s SER 68 CO 0.00 0.20 2.28 0.41 1.20 0.00 0.00 173.24 177.32 1s1u n THR 69 N 2.07 4.99 -4.07 6.45 -1.04 -1.26 -3.87 114.28 117.55 1s1u n THR 69 Ca -0.17 -4.53 -0.22 0.00 -2.04 0.00 0.00 64.05 57.09 1s1u n THR 69 Cb 0.53 -1.77 -0.17 0.00 -1.82 0.00 0.00 70.33 67.10 1s1u n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1s1u s LYS 70 N -2.37 0.99 0.76 -2.82 2.47 -1.26 -4.98 119.74 112.53 1s1u s LYS 70 Ca 0.51 -0.11 -0.15 0.00 -1.56 0.00 0.00 55.97 54.65 1s1u s LYS 70 Cb 0.24 -1.06 -0.01 0.00 -1.46 0.00 0.00 37.83 35.54 1s1u s LYS 70 CO -0.16 -0.15 0.62 0.91 0.16 0.00 0.00 175.35 176.73 1s1u n TRP 71 N 4.44 -0.55 -3.68 4.03 5.03 -1.26 0.22 117.44 125.67 1s1u n TRP 71 Ca -0.18 0.34 -0.10 0.00 3.03 0.00 0.00 57.50 60.59 1s1u n TRP 71 Cb 0.51 -1.93 -0.10 0.00 -1.03 0.00 0.00 31.31 28.75 1s1u n TRP 71 CO 0.00 0.00 0.00 0.50 -0.03 0.00 0.00 177.69 178.16 1s1u s ARG 72 N -3.05 0.36 0.10 -0.99 3.52 0.33 -4.50 118.95 114.72 1s1u s ARG 72 Ca 0.66 0.87 -0.28 0.00 -0.13 0.00 0.00 55.73 56.84 1s1u s ARG 72 Cb -0.33 0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 33.09 1s1u s ARG 72 CO 0.58 -0.19 0.90 0.21 -0.81 0.00 0.00 175.30 175.99 1s1u s LYS 73 N 1.82 4.65 -0.02 5.12 2.20 -1.26 -1.23 119.74 131.01 1s1u s LYS 73 Ca -0.07 1.34 0.02 0.00 -0.36 0.00 0.00 55.97 56.90 1s1u s LYS 73 Cb -0.10 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1s1u s LYS 73 CO -0.13 0.26 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.89 1s1u s LEU 74 N -0.12 1.77 -0.14 5.43 2.96 -0.45 -4.97 118.68 123.17 1s1u s LEU 74 Ca 0.44 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1s1u s LEU 74 Cb -0.23 -0.44 0.00 0.00 0.50 0.00 0.00 46.19 46.03 1s1u s LEU 74 CO 0.28 0.04 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.46 1s1u s VAL 75 N 0.21 2.26 -0.68 1.68 1.01 -1.26 -1.36 120.40 122.26 1s1u s VAL 75 Ca -0.03 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 1s1u s VAL 75 Cb -0.07 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.45 1s1u s VAL 75 CO 0.00 0.54 1.10 -0.62 0.00 0.00 0.00 175.10 176.12 1s1u s ASP 76 N 0.70 6.20 -0.09 3.32 3.68 -0.78 -4.89 116.67 124.81 1s1u s ASP 76 Ca -0.09 -0.66 0.17 0.00 2.13 0.00 0.00 52.55 54.10 1s1u s ASP 76 Cb -0.16 -2.48 0.63 0.00 -1.45 0.00 0.00 42.92 39.46 1s1u s ASP 76 CO 0.01 -1.59 1.53 0.49 0.13 0.00 0.00 175.17 175.74 1s1u n PHE 77 N 8.40 1.28 -0.27 -5.34 0.99 -1.26 -4.39 117.46 116.88 1s1u n PHE 77 Ca 0.00 -0.52 0.03 0.00 -0.00 0.00 0.00 57.45 56.96 1s1u n PHE 77 Cb 0.47 -0.20 0.11 0.00 -1.00 0.00 0.00 39.48 38.86 1s1u n PHE 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1s1u h ARG 78 N 3.66 0.02 -0.16 -1.08 3.08 -1.90 0.19 114.38 118.19 1s1u h ARG 78 Ca 0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1s1u h ARG 78 Cb 1.27 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1s1u h ARG 78 CO 0.19 0.01 -0.03 1.49 -1.07 0.00 0.00 179.97 180.56 1s1u h GLU 79 N 0.02 0.31 -0.17 0.04 4.57 -2.00 -0.98 114.58 116.36 1s1u h GLU 79 Ca 0.38 -0.11 0.04 0.00 -1.18 0.00 0.00 59.36 58.49 1s1u h GLU 79 Cb 0.62 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1s1u h GLU 79 CO -0.77 0.56 -0.07 1.25 -1.18 0.00 0.00 179.01 178.80 1s1u h LEU 80 N 0.02 -0.24 -1.87 1.64 5.85 -1.64 -0.62 115.31 118.46 1s1u h LEU 80 Ca 0.04 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1s1u h LEU 80 Cb 0.44 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1s1u h LEU 80 CO 0.01 -0.10 0.17 0.78 -0.34 0.00 0.00 178.44 178.97 1s1u h ASN 81 N -0.05 0.15 0.51 1.25 2.35 -0.53 0.29 115.58 119.55 1s1u h ASN 81 Ca 0.09 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1s1u h ASN 81 Cb 0.18 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1s1u h ASN 81 CO -0.21 0.10 -0.31 0.11 -1.65 0.00 0.00 177.43 175.48 1s1u h LYS 82 N 0.17 0.00 0.00 0.81 1.57 0.26 -3.04 116.57 116.35 1s1u h LYS 82 Ca 0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1s1u h LYS 82 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1s1u h LYS 82 CO -0.02 0.31 -1.53 0.54 -0.57 0.00 0.00 179.45 178.18 1s1u n ARG 83 N -3.81 0.63 -2.47 3.15 1.74 0.45 -4.93 116.66 111.43 1s1u n ARG 83 Ca -0.01 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 1s1u n ARG 83 Cb 0.39 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 1s1u n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1s1u s THR 84 N -3.24 3.65 0.98 0.55 2.01 0.72 0.13 115.64 120.44 1s1u s THR 84 Ca -0.04 1.50 -0.15 0.00 0.31 0.00 0.00 61.69 63.31 1s1u s THR 84 Cb 0.10 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1s1u s THR 84 CO 0.84 0.29 -0.02 0.00 -0.69 0.00 0.00 174.62 175.04 1s1u n GLN 85 N 1.93 -0.34 -2.16 4.92 10.64 -0.75 -4.60 117.38 127.02 1s1u n GLN 85 Ca 0.02 -0.07 -0.27 0.00 -1.83 0.00 0.00 57.00 54.84 1s1u n GLN 85 Cb 0.45 -1.59 0.05 0.00 -0.86 0.00 0.00 30.24 28.30 1s1u n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1s1u s ASP 86 N -1.70 5.21 0.42 2.61 1.11 -1.26 -4.89 116.67 118.17 1s1u s ASP 86 Ca 0.52 0.74 0.04 0.00 0.18 0.00 0.00 52.55 54.02 1s1u s ASP 86 Cb -0.18 -1.53 -0.02 0.00 1.07 0.00 0.00 42.92 42.25 1s1u s ASP 86 CO 0.71 -1.38 0.12 -0.36 1.18 0.00 0.00 175.17 175.44 1s1u s PHE 87 N -3.22 1.80 0.42 4.23 0.40 -1.26 -5.09 117.98 115.26 1s1u s PHE 87 Ca 0.58 -1.25 -0.23 0.00 -0.60 0.00 0.00 56.93 55.42 1s1u s PHE 87 Cb -0.11 -1.21 -0.08 0.00 0.51 0.00 0.00 43.02 42.13 1s1u s PHE 87 CO 0.47 -0.24 1.09 -0.46 0.70 0.00 0.00 175.22 176.78 1s1u s TRP 88 N -3.16 3.12 0.06 0.36 -0.00 -1.26 -4.90 118.94 113.15 1s1u s TRP 88 Ca 0.21 1.60 -0.34 0.00 -0.00 0.00 0.00 56.10 57.58 1s1u s TRP 88 Cb 0.02 -3.22 -0.13 0.00 -0.00 0.00 0.00 33.47 30.15 1s1u s TRP 88 CO 0.13 -0.96 1.73 -0.85 -0.00 0.00 0.00 176.95 177.00 1s1u n GLU 89 N -0.25 2.24 -1.94 5.86 0.28 -1.26 -4.85 120.64 120.72 1s1u n GLU 89 Ca 0.06 0.81 -0.35 0.00 -0.16 0.00 0.00 57.16 57.53 1s1u n GLU 89 Cb 0.49 -2.63 -0.04 0.00 1.43 0.00 0.00 31.44 30.70 1s1u n GLU 89 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1s1u s VAL 90 N 2.39 3.30 -0.08 3.84 1.01 -1.26 -4.76 120.40 124.83 1s1u s VAL 90 Ca 0.85 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.75 1s1u s VAL 90 Cb -0.66 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1s1u s VAL 90 CO 0.43 -0.73 0.40 0.00 0.00 0.00 0.00 175.10 175.20 1s1u n GLN 91 N 9.08 0.00 0.00 2.72 3.00 -1.26 -4.79 117.38 126.13 1s1u n GLN 91 Ca 0.28 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.39 1s1u n GLN 91 Cb 0.51 -0.44 0.23 0.00 0.00 0.00 0.00 30.24 30.55 1s1u n GLN 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1s1u n LEU 92 N 0.83 1.42 -4.59 1.08 4.77 -1.26 -4.85 117.00 114.41 1s1u n LEU 92 Ca 0.08 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 1s1u n LEU 92 Cb 0.00 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1s1u n LEU 92 CO 0.22 0.27 1.29 -0.83 -1.33 0.00 0.00 177.39 177.00 1s1u s GLY 93 N -2.48 0.93 -0.17 -0.72 0.00 -1.26 -5.00 107.32 98.61 1s1u s GLY 93 Ca 0.22 -0.40 -0.04 0.00 0.00 0.00 0.00 44.72 44.50 1s1u s GLY 93 CO 0.54 2.85 -0.04 -0.42 0.00 0.00 0.00 173.10 176.03 1s1u s ILE 94 N 6.03 3.74 0.32 0.90 1.09 -1.26 -5.08 121.20 126.94 1s1u s ILE 94 Ca 0.59 -0.40 -0.28 0.00 -1.10 0.00 0.00 60.65 59.46 1s1u s ILE 94 Cb -0.13 -2.66 -0.13 0.00 -1.06 0.00 0.00 42.46 38.49 1s1u s ILE 94 CO 0.28 0.47 1.19 -2.65 -0.10 0.00 0.00 174.94 174.14 1s1u n PRO 95 N 3.89 1.85 -4.08 2.79 -0.02 -1.26 -5.00 135.00 133.17 1s1u n PRO 95 Ca -0.17 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 1s1u n PRO 95 Cb 0.52 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 1s1u n PRO 95 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1s1u s HIS 96 N -1.05 3.34 0.34 6.00 2.46 -1.26 -4.99 115.29 120.13 1s1u s HIS 96 Ca 0.57 0.27 0.15 0.00 0.47 0.00 0.00 55.06 56.52 1s1u s HIS 96 Cb -0.62 -1.94 1.12 0.00 -0.13 0.00 0.00 32.58 31.01 1s1u s HIS 96 CO 0.61 0.45 1.65 -1.35 -2.47 0.00 0.00 174.74 173.63 1s1u h PRO 97 N 5.64 0.27 0.00 2.88 0.11 -1.96 0.22 132.00 139.16 1s1u h PRO 97 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s1u h PRO 97 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1s1u h PRO 97 CO 0.61 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 1s1u h ALA 98 N 1.87 1.00 -0.00 -0.75 0.00 -1.85 -2.00 119.26 117.53 1s1u h ALA 98 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1s1u h ALA 98 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1s1u h ALA 98 CO -0.63 0.00 -0.39 0.41 0.00 0.00 0.00 179.25 178.64 1s1u n GLY 99 N -0.76 -0.95 3.91 0.00 0.00 0.79 -3.80 105.19 104.37 1s1u n GLY 99 Ca -0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1s1u n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s1u s ILE 100 N -2.77 5.35 0.06 -0.61 -4.36 -0.75 -4.71 121.20 113.41 1s1u s ILE 100 Ca 0.17 -0.29 -0.07 0.00 -0.26 0.00 0.00 60.65 60.20 1s1u s ILE 100 Cb 0.18 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 40.22 1s1u s ILE 100 CO 0.62 0.14 0.34 -0.54 0.24 0.00 0.00 174.94 175.73 1s1u s LYS 101 N -2.49 3.65 0.71 0.37 3.01 -1.26 0.71 119.74 124.44 1s1u s LYS 101 Ca 0.36 0.00 -0.16 0.00 -1.01 0.00 0.00 55.97 55.15 1s1u s LYS 101 Cb -0.13 -3.00 0.03 0.00 -1.01 0.00 0.00 37.83 33.71 1s1u s LYS 101 CO 0.27 0.58 1.24 0.36 0.51 0.00 0.00 175.35 178.31 1s1u n LYS 102 N 0.81 0.73 -4.51 1.68 2.85 -1.26 -4.89 118.16 113.58 1s1u n LYS 102 Ca -0.08 0.32 -0.24 0.00 -1.05 0.00 0.00 58.31 57.25 1s1u n LYS 102 Cb 0.52 -2.48 -0.09 0.00 -0.65 0.00 0.00 35.03 32.33 1s1u n LYS 102 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1s1u s LYS 103 N -3.65 1.83 -0.13 -1.58 -0.14 0.25 -5.01 119.74 111.31 1s1u s LYS 103 Ca 0.79 -2.08 -0.18 0.00 -1.36 0.00 0.00 55.97 53.14 1s1u s LYS 103 Cb -0.35 -0.81 -0.25 0.00 -1.68 0.00 0.00 37.83 34.75 1s1u s LYS 103 CO 0.45 -0.34 0.48 -0.22 -0.76 0.00 0.00 175.35 174.96 1s1u h LYS 104 N 1.90 0.16 -4.25 1.68 3.64 -0.88 -3.39 116.57 115.43 1s1u h LYS 104 Ca -0.39 -0.27 -0.14 0.00 -1.27 0.00 0.00 60.65 58.58 1s1u h LYS 104 Cb 1.26 0.10 -0.16 0.00 -0.41 0.00 0.00 32.23 33.02 1s1u h LYS 104 CO 0.64 1.13 -0.69 -1.54 -2.27 0.00 0.00 179.45 176.72 1s1u s SER 105 N -6.90 0.52 0.04 4.20 1.04 -0.83 -4.88 113.70 106.89 1s1u s SER 105 Ca -0.22 -0.90 -0.07 0.00 0.48 0.00 0.00 55.95 55.24 1s1u s SER 105 Cb 0.04 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1s1u s SER 105 CO 0.71 -0.52 0.13 -0.69 0.98 0.00 0.00 173.24 173.86 1s1u s VAL 106 N -3.39 0.13 -0.07 5.02 1.01 -1.26 -0.90 120.40 120.93 1s1u s VAL 106 Ca 0.03 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 1s1u s VAL 106 Cb 0.04 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1s1u s VAL 106 CO -0.08 -0.58 0.20 -0.89 0.00 0.00 0.00 175.10 173.75 1s1u s THR 107 N -2.72 -0.00 -0.24 3.92 2.01 0.39 -4.87 115.64 114.13 1s1u s THR 107 Ca -0.04 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 1s1u s THR 107 Cb -0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1s1u s THR 107 CO -0.05 0.00 0.12 -0.69 -0.69 0.00 0.00 174.62 173.32 1s1u s VAL 108 N 0.15 4.97 -0.30 3.82 1.01 -1.26 0.68 120.40 129.47 1s1u s VAL 108 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1s1u s VAL 108 Cb -0.02 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.11 1s1u s VAL 108 CO -0.00 0.35 -0.01 -0.76 0.00 0.00 0.00 175.10 174.68 1s1u s LEU 109 N 1.16 3.88 -0.00 3.92 1.02 -0.11 -4.36 118.68 124.19 1s1u s LEU 109 Ca 0.06 -1.35 -0.29 0.00 0.02 0.00 0.00 54.13 52.56 1s1u s LEU 109 Cb -0.14 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 1s1u s LEU 109 CO 0.05 -0.26 0.95 -0.62 0.02 0.00 0.00 176.35 176.49 1s1u s ASP 110 N 1.24 7.34 -0.51 2.29 -1.08 -1.26 -1.13 116.67 123.55 1s1u s ASP 110 Ca -0.05 1.62 -0.22 0.00 -0.52 0.00 0.00 52.55 53.38 1s1u s ASP 110 Cb -0.20 -2.56 0.04 0.00 -1.46 0.00 0.00 42.92 38.75 1s1u s ASP 110 CO -0.02 -0.24 0.78 -0.69 0.52 0.00 0.00 175.17 175.53 1s1u s VAL 111 N 0.94 4.63 0.19 1.11 1.01 0.29 -4.10 120.40 124.46 1s1u s VAL 111 Ca 0.50 -0.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 1s1u s VAL 111 Cb -0.21 -4.40 -0.08 0.00 0.00 0.00 0.00 36.38 31.69 1s1u s VAL 111 CO 0.27 -0.92 0.78 -0.83 0.00 0.00 0.00 175.10 174.41 1s1u s GLY 112 N 2.64 2.85 -1.61 4.51 0.00 -0.53 -3.69 107.32 111.49 1s1u s GLY 112 Ca 0.24 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.27 1s1u s GLY 112 CO 0.17 0.80 0.30 1.34 0.00 0.00 0.00 173.10 175.71 1s1u n ASP 113 N 1.31 -5.87 0.00 1.64 2.03 -1.26 -4.08 116.55 110.31 1s1u n ASP 113 Ca -0.04 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1s1u n ASP 113 Cb 0.49 -4.79 0.00 0.00 -0.72 0.00 0.00 41.12 36.11 1s1u n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s1u n ALA 114 N -2.75 0.00 -0.32 -1.67 0.00 -1.24 -2.06 120.51 112.46 1s1u n ALA 114 Ca -0.17 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.48 1s1u n ALA 114 Cb 0.65 0.08 0.42 0.00 0.00 0.00 0.00 19.45 20.60 1s1u n ALA 114 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1s1u h TYR 115 N 0.00 0.47 0.00 0.00 0.99 -1.92 0.19 116.97 116.70 1s1u h TYR 115 Ca 0.00 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1s1u h TYR 115 Cb 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 36.73 37.68 1s1u h TYR 115 CO 0.00 -0.37 0.00 1.19 -0.00 0.00 0.00 178.16 178.98 1s1u n PHE 116 N -5.29 0.00 1.04 4.88 3.72 -1.01 -2.41 117.46 118.39 1s1u n PHE 116 Ca 0.29 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.81 1s1u n PHE 116 Cb 0.96 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.62 1s1u n PHE 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1s1u n SER 117 N -0.93 2.80 -4.28 4.37 7.64 0.66 -4.82 113.62 119.05 1s1u n SER 117 Ca 0.12 -1.92 -0.31 0.00 1.01 0.00 0.00 58.87 57.78 1s1u n SER 117 Cb 0.06 0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 1s1u n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1s1u s VAL 118 N -2.04 1.99 0.65 0.44 1.01 -1.01 -4.34 120.40 117.10 1s1u s VAL 118 Ca 0.28 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1s1u s VAL 118 Cb 0.20 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1s1u s VAL 118 CO 0.33 0.56 1.11 -2.16 0.00 0.00 0.00 175.10 174.93 1s1u s PRO 119 N -0.40 2.83 -0.02 2.72 0.04 -1.26 -1.28 135.00 137.63 1s1u s PRO 119 Ca 0.04 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.49 1s1u s PRO 119 Cb -0.11 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1s1u s PRO 119 CO 0.01 -1.22 -0.10 -1.17 0.04 0.00 0.00 177.00 174.56 1s1u s LEU 120 N -4.84 2.99 -0.34 -3.56 2.96 0.50 -4.63 118.68 111.75 1s1u s LEU 120 Ca 0.67 -0.16 -0.41 0.00 -0.22 0.00 0.00 54.13 54.00 1s1u s LEU 120 Cb -0.20 -1.69 -0.16 0.00 0.50 0.00 0.00 46.19 44.64 1s1u s LEU 120 CO 0.41 0.31 1.80 -0.67 -1.32 0.00 0.00 176.35 176.89 1s1u n ASP 121 N 1.90 2.04 -0.17 3.68 2.03 -1.24 -4.78 116.55 120.01 1s1u n ASP 121 Ca -0.16 0.99 -0.02 0.00 0.52 0.00 0.00 54.79 56.12 1s1u n ASP 121 Cb 0.52 -1.09 0.05 0.00 -0.72 0.00 0.00 41.12 39.88 1s1u n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1s1u h GLU 122 N 7.55 0.03 0.00 -0.67 4.22 -1.94 0.27 114.58 124.05 1s1u h GLU 122 Ca -0.41 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.03 1s1u h GLU 122 Cb 1.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1s1u h GLU 122 CO 0.98 0.02 0.00 -0.25 -2.18 0.00 0.00 179.01 177.58 1s1u n ASP 123 N -5.33 0.00 -0.04 1.04 8.00 -1.26 -1.92 116.55 117.03 1s1u n ASP 123 Ca 0.05 0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.59 1s1u n ASP 123 Cb 0.28 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 41.10 1s1u n ASP 123 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1s1u n PHE 124 N -1.18 0.00 -0.31 1.24 7.35 0.89 -4.63 117.46 120.82 1s1u n PHE 124 Ca 0.04 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.87 1s1u n PHE 124 Cb 0.04 -0.53 0.32 0.00 0.35 0.00 0.00 39.48 39.66 1s1u n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s1u h ARG 125 N 0.00 0.31 -0.99 -4.13 3.08 -0.66 -0.67 114.38 111.33 1s1u h ARG 125 Ca -0.22 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.03 1s1u h ARG 125 Cb 1.37 -0.07 -0.12 0.00 0.08 0.00 0.00 29.97 31.23 1s1u h ARG 125 CO 0.01 0.21 0.57 1.57 -1.07 0.00 0.00 179.97 181.26 1s1u h LYS 126 N 0.32 0.60 0.00 0.04 2.10 -1.82 0.46 116.57 118.26 1s1u h LYS 126 Ca 0.58 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 59.19 1s1u h LYS 126 Cb 1.16 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1s1u h LYS 126 CO -0.58 0.39 -0.00 1.88 -2.00 0.00 0.00 179.45 179.14 1s1u h TYR 127 N 0.61 0.00 -0.36 0.07 0.05 -1.44 -2.56 116.97 113.35 1s1u h TYR 127 Ca 0.61 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 59.24 1s1u h TYR 127 Cb 1.10 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.75 1s1u h TYR 127 CO -0.02 0.00 0.20 0.25 -1.05 0.00 0.00 178.16 177.54 1s1u n THR 128 N -3.10 1.69 -2.44 -2.88 -2.24 0.16 -4.71 114.28 100.76 1s1u n THR 128 Ca -0.02 -0.72 -0.38 0.00 -2.27 0.00 0.00 64.05 60.67 1s1u n THR 128 Cb 0.17 -0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 1s1u n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s1u s ALA 129 N -1.42 3.14 0.17 6.98 0.00 -0.97 -3.50 121.76 126.16 1s1u s ALA 129 Ca 0.23 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 1s1u s ALA 129 Cb 0.19 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1s1u s ALA 129 CO 0.05 -0.33 0.42 -0.59 0.00 0.00 0.00 175.76 175.31 1s1u s PHE 130 N -1.51 0.05 0.06 0.00 -0.12 -1.12 -0.39 117.98 114.95 1s1u s PHE 130 Ca 0.56 -0.40 0.04 0.00 -0.05 0.00 0.00 56.93 57.09 1s1u s PHE 130 Cb -0.26 0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.31 1s1u s PHE 130 CO 0.33 -0.81 -0.12 0.99 -0.05 0.00 0.00 175.22 175.56 1s1u s THR 131 N -3.89 0.95 -0.38 -4.49 2.01 -1.26 -2.42 115.64 106.15 1s1u s THR 131 Ca 0.11 -1.16 -0.03 0.00 0.31 0.00 0.00 61.69 60.92 1s1u s THR 131 Cb 0.01 -0.92 0.09 0.00 0.01 0.00 0.00 72.50 71.69 1s1u s THR 131 CO -0.03 -0.21 0.16 -0.63 -0.69 0.00 0.00 174.62 173.21 1s1u s ILE 132 N -1.18 3.24 0.60 1.82 -1.09 0.04 -4.77 121.20 119.87 1s1u s ILE 132 Ca -0.03 -1.87 -0.19 0.00 -2.23 0.00 0.00 60.65 56.33 1s1u s ILE 132 Cb -0.09 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 1s1u s ILE 132 CO 0.02 -0.54 1.01 -0.81 -1.23 0.00 0.00 174.94 173.39 1s1u n PRO 133 N 4.61 0.96 -2.20 2.79 -0.04 -1.26 -1.81 135.00 138.04 1s1u n PRO 133 Ca -0.05 0.37 -0.29 0.00 -0.04 0.00 0.00 63.50 63.49 1s1u n PRO 133 Cb 0.42 -2.22 0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1s1u n PRO 133 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s1u s SER 134 N -1.23 6.05 -0.09 3.54 1.04 -1.26 -4.76 113.70 116.99 1s1u s SER 134 Ca 0.76 1.12 0.05 0.00 0.48 0.00 0.00 55.95 58.36 1s1u s SER 134 Cb -0.42 -2.22 -0.24 0.00 0.10 0.00 0.00 66.02 63.24 1s1u s SER 134 CO 0.47 -0.86 0.49 -0.38 0.98 0.00 0.00 173.24 173.94 1s1u n ILE 135 N -2.59 1.67 -3.50 -1.02 5.41 -1.26 -4.88 119.36 113.19 1s1u n ILE 135 Ca 0.04 -0.74 -0.31 0.00 1.00 0.00 0.00 62.75 62.74 1s1u n ILE 135 Cb 0.55 -1.31 -0.05 0.00 -0.71 0.00 0.00 39.64 38.13 1s1u n ILE 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1s1u s ASN 136 N -6.46 6.55 0.00 4.38 -0.87 -1.26 -5.06 114.94 112.21 1s1u s ASN 136 Ca -0.13 0.77 0.00 0.00 -1.57 0.00 0.00 52.86 51.93 1s1u s ASN 136 Cb 0.07 -2.16 0.00 0.00 -0.02 0.00 0.00 41.25 39.14 1s1u s ASN 136 CO 0.80 -0.05 0.74 0.59 -2.57 0.00 0.00 177.10 176.60 1s1u n ASN 137 N -0.19 0.00 -0.90 -1.22 3.02 -1.26 -3.25 115.26 111.46 1s1u n ASN 137 Ca -0.01 0.74 -0.01 0.00 -0.03 0.00 0.00 54.58 55.27 1s1u n ASN 137 Cb 0.52 -0.24 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 1s1u n ASN 137 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1s1u n GLU 138 N -1.47 1.49 -3.72 3.52 4.07 -1.26 -4.28 120.64 118.98 1s1u n GLU 138 Ca 0.00 -0.51 -0.31 0.00 -0.06 0.00 0.00 57.16 56.28 1s1u n GLU 138 Cb 0.00 -1.47 -0.09 0.00 -0.06 0.00 0.00 31.44 29.82 1s1u n GLU 138 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1s1u n THR 139 N 0.15 2.32 -0.91 6.31 -1.04 -1.20 -5.09 114.28 114.82 1s1u n THR 139 Ca 0.06 -5.04 -0.30 0.00 -2.04 0.00 0.00 64.05 56.74 1s1u n THR 139 Cb 0.51 -2.24 0.17 0.00 -1.82 0.00 0.00 70.33 66.95 1s1u n THR 139 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1s1u s PRO 140 N -1.64 0.75 0.15 -2.82 0.04 -1.26 -4.51 135.00 125.72 1s1u s PRO 140 Ca 0.28 1.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.24 1s1u s PRO 140 Cb -0.02 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.72 1s1u s PRO 140 CO -0.13 -2.66 0.54 0.20 0.04 0.00 0.00 177.00 175.00 1s1u s GLY 141 N -3.00 2.44 -0.06 0.56 0.00 -1.26 -4.72 107.32 101.29 1s1u s GLY 141 Ca 0.65 -0.15 -0.39 0.00 0.00 0.00 0.00 44.72 44.83 1s1u s GLY 141 CO 0.59 0.12 1.41 0.29 0.00 0.00 0.00 173.10 175.51 1s1u n ILE 142 N 0.75 0.08 -4.61 0.90 -0.00 -0.75 -4.66 119.36 111.06 1s1u n ILE 142 Ca -0.05 -0.01 -0.33 0.00 -0.00 0.00 0.00 62.75 62.35 1s1u n ILE 142 Cb 0.52 -0.76 -0.13 0.00 -0.00 0.00 0.00 39.64 39.27 1s1u n ILE 142 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1s1u s ARG 143 N 1.35 3.36 0.28 6.28 1.81 -1.26 -0.78 118.95 129.99 1s1u s ARG 143 Ca 0.91 -0.60 0.05 0.00 -1.72 0.00 0.00 55.73 54.37 1s1u s ARG 143 Cb -1.08 -2.72 -0.02 0.00 -0.45 0.00 0.00 34.95 30.68 1s1u s ARG 143 CO 0.56 0.32 0.17 0.66 -0.68 0.00 0.00 175.30 176.33 1s1u n TYR 144 N 3.25 -0.31 -3.58 -0.53 4.02 -1.02 -0.59 117.16 118.41 1s1u n TYR 144 Ca -0.18 -2.12 -0.14 0.00 -0.01 0.00 0.00 57.90 55.45 1s1u n TYR 144 Cb 0.53 0.13 -0.05 0.00 -0.02 0.00 0.00 39.34 39.92 1s1u n TYR 144 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1s1u s GLN 145 N -3.12 1.04 0.21 -0.72 -2.07 -1.07 -2.78 119.66 111.15 1s1u s GLN 145 Ca 0.25 -0.25 -0.27 0.00 -1.82 0.00 0.00 55.36 53.27 1s1u s GLN 145 Cb 0.01 0.47 -0.09 0.00 -1.09 0.00 0.00 33.01 32.32 1s1u s GLN 145 CO 0.17 -0.38 0.85 0.71 -1.32 0.00 0.00 175.29 175.33 1s1u s TYR 146 N -2.50 3.90 -0.06 9.60 2.02 -1.23 -2.46 117.35 126.62 1s1u s TYR 146 Ca -0.05 1.74 0.09 0.00 -0.37 0.00 0.00 57.07 58.48 1s1u s TYR 146 Cb -0.01 -2.85 -0.13 0.00 -0.40 0.00 0.00 41.96 38.57 1s1u s TYR 146 CO -0.02 0.45 0.11 0.09 -1.57 0.00 0.00 175.55 174.61 1s1u n ASN 147 N 1.37 2.76 0.00 2.29 3.02 0.54 -4.58 115.26 120.67 1s1u n ASN 147 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1s1u n ASN 147 Cb 0.48 1.04 0.00 0.00 -0.61 0.00 0.00 39.78 40.70 1s1u n ASN 147 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1s1u n VAL 148 N -2.12 0.00 -3.51 2.41 0.24 -1.20 -0.37 118.33 113.77 1s1u n VAL 148 Ca -0.09 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.81 1s1u n VAL 148 Cb 0.56 -0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.46 1s1u n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1s1u s LEU 149 N 0.00 4.38 0.10 1.34 1.43 -0.40 -4.10 118.68 121.41 1s1u s LEU 149 Ca 0.00 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 1s1u s LEU 149 Cb 0.00 -2.19 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 1s1u s LEU 149 CO 0.00 -0.21 1.16 -2.84 0.23 0.00 0.00 176.35 174.69 1s1u s PRO 150 N 1.81 4.48 0.61 1.29 0.02 -1.26 -3.88 135.00 138.07 1s1u s PRO 150 Ca 0.08 1.75 -0.18 0.00 0.02 0.00 0.00 61.00 62.67 1s1u s PRO 150 Cb -0.17 -3.33 -0.02 0.00 0.02 0.00 0.00 34.50 31.00 1s1u s PRO 150 CO 0.11 -0.16 1.21 -1.14 -0.33 0.00 0.00 177.00 176.69 1s1u s GLN 151 N 0.61 2.84 0.00 5.54 0.74 -1.26 -2.36 119.66 125.78 1s1u s GLN 151 Ca 0.56 1.82 0.00 0.00 0.05 0.00 0.00 55.36 57.79 1s1u s GLN 151 Cb -0.29 -1.91 0.00 0.00 1.10 0.00 0.00 33.01 31.90 1s1u s GLN 151 CO 0.31 -1.30 0.00 0.41 -0.55 0.00 0.00 175.29 174.16 1s1u n GLY 152 N 0.48 0.88 3.90 2.59 0.00 -1.26 -4.88 105.19 106.90 1s1u n GLY 152 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1s1u n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1s1u s TRP 153 N -3.50 3.47 0.00 1.61 -0.00 -0.99 -4.66 118.94 114.86 1s1u s TRP 153 Ca 0.00 0.65 0.00 0.00 -0.00 0.00 0.00 56.10 56.75 1s1u s TRP 153 Cb 0.00 -2.10 0.00 0.00 -0.00 0.00 0.00 33.47 31.37 1s1u s TRP 153 CO 0.00 0.22 0.93 1.17 -0.00 0.00 0.00 176.95 179.27 1s1u n LYS 154 N -0.74 0.00 0.15 5.86 4.81 -1.26 -2.91 118.16 124.07 1s1u n LYS 154 Ca -0.02 0.77 0.04 0.00 -0.87 0.00 0.00 58.31 58.23 1s1u n LYS 154 Cb 0.54 -1.43 0.47 0.00 0.02 0.00 0.00 35.03 34.63 1s1u n LYS 154 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1s1u h GLY 155 N 0.00 0.19 -0.04 3.14 0.00 -1.96 -3.37 103.07 101.04 1s1u h GLY 155 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1s1u h GLY 155 CO 0.00 0.09 -0.02 1.44 0.00 0.00 0.00 176.54 178.05 1s1u n SER 156 N -4.37 -0.04 -0.28 0.19 7.64 -1.15 -0.25 113.62 115.37 1s1u n SER 156 Ca -0.01 0.34 0.04 0.00 1.01 0.00 0.00 58.87 60.24 1s1u n SER 156 Cb 0.20 -0.14 0.18 0.00 -1.01 0.00 0.00 64.21 63.43 1s1u n SER 156 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1s1u h PRO 157 N 0.00 0.64 0.49 1.43 0.11 -1.77 -1.20 132.00 131.70 1s1u h PRO 157 Ca 0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1s1u h PRO 157 Cb 0.02 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1s1u h PRO 157 CO -0.04 0.42 -0.24 0.00 -0.21 0.00 0.00 178.00 177.94 1s1u h ALA 158 N 1.48 -0.95 -0.39 -0.75 0.00 -0.86 -0.21 119.26 117.57 1s1u h ALA 158 Ca 0.40 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1s1u h ALA 158 Cb 0.47 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1s1u h ALA 158 CO -0.30 -0.90 -0.35 0.82 0.00 0.00 0.00 179.25 178.51 1s1u h ILE 159 N -0.81 0.20 0.11 0.00 2.04 -1.12 0.11 117.51 118.04 1s1u h ILE 159 Ca -0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1s1u h ILE 159 Cb 0.51 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1s1u h ILE 159 CO 0.11 0.00 -0.47 0.15 0.00 0.00 0.00 178.15 177.94 1s1u h PHE 160 N -0.28 -1.35 -0.97 1.37 -0.00 -1.28 0.88 116.94 115.30 1s1u h PHE 160 Ca 0.16 0.04 0.24 0.00 -0.00 0.00 0.00 57.97 58.41 1s1u h PHE 160 Cb 0.55 0.58 -0.07 0.00 -0.00 0.00 0.00 35.95 37.01 1s1u h PHE 160 CO -0.56 -0.53 0.65 0.37 -0.00 0.00 0.00 178.31 178.24 1s1u h GLN 161 N -0.67 0.32 0.24 1.11 5.75 -0.46 0.11 115.11 121.52 1s1u h GLN 161 Ca -0.01 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1s1u h GLN 161 Cb 0.67 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.15 1s1u h GLN 161 CO -0.25 0.21 -0.12 1.03 -2.65 0.00 0.00 178.83 177.05 1s1u h SER 162 N 0.33 -0.28 -0.90 -0.69 0.87 0.93 -2.79 113.55 111.02 1s1u h SER 162 Ca 0.52 0.01 0.17 0.00 -1.23 0.00 0.00 61.79 61.25 1s1u h SER 162 Cb 1.42 0.07 -0.17 0.00 -0.44 0.00 0.00 62.40 63.29 1s1u h SER 162 CO -0.19 -0.15 -0.27 0.28 -0.53 0.00 0.00 176.83 175.97 1s1u h SER 163 N -0.42 -0.99 -0.19 6.23 0.02 -0.09 0.15 113.55 118.27 1s1u h SER 163 Ca -0.03 0.28 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1s1u h SER 163 Cb 0.25 0.60 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1s1u h SER 163 CO 0.05 -0.30 -0.11 0.80 -1.14 0.00 0.00 176.83 176.13 1s1u n MET 164 N -5.55 -0.09 -0.35 3.45 0.00 0.31 -0.04 117.12 114.86 1s1u n MET 164 Ca 0.12 1.09 0.14 0.00 0.00 0.00 0.00 57.70 59.05 1s1u n MET 164 Cb 0.44 -1.62 0.35 0.00 0.00 0.00 0.00 33.22 32.39 1s1u n MET 164 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1s1u h THR 165 N 0.00 0.67 -0.57 1.12 1.35 -0.45 0.11 112.91 115.14 1s1u h THR 165 Ca 0.03 -0.24 0.03 0.00 -0.55 0.00 0.00 66.41 65.68 1s1u h THR 165 Cb 0.08 -0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 66.36 1s1u h THR 165 CO -0.18 0.13 0.33 0.11 -0.25 0.00 0.00 175.52 175.66 1s1u h LYS 166 N 0.71 0.63 -0.13 4.72 1.57 0.62 -0.40 116.57 124.28 1s1u h LYS 166 Ca 0.58 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1s1u h LYS 166 Cb 0.99 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1s1u h LYS 166 CO -0.38 0.41 0.08 0.82 -0.57 0.00 0.00 179.45 179.82 1s1u h ILE 167 N 0.65 1.07 -0.47 1.86 2.04 0.15 -3.10 117.51 119.71 1s1u h ILE 167 Ca 0.24 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1s1u h ILE 167 Cb 0.07 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1s1u h ILE 167 CO -0.12 0.06 0.15 -0.07 0.00 0.00 0.00 178.15 178.17 1s1u h LEU 168 N 0.15 0.69 -0.44 1.44 -0.00 -1.10 -3.24 115.31 112.80 1s1u h LEU 168 Ca 0.05 -0.21 0.13 0.00 -0.00 0.00 0.00 57.88 57.85 1s1u h LEU 168 Cb 0.03 -0.18 -0.08 0.00 -0.00 0.00 0.00 40.66 40.43 1s1u h LEU 168 CO -0.01 0.71 0.05 1.21 -0.00 0.00 0.00 178.44 180.40 1s1u n GLU 169 N -4.53 -0.03 0.00 1.13 2.13 -0.18 0.45 120.64 119.60 1s1u n GLU 169 Ca 0.01 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1s1u n GLU 169 Cb 0.19 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.84 1s1u n GLU 169 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1s1u n PRO 170 N -4.39 0.00 -0.28 5.31 -0.02 -1.22 -1.23 135.00 133.17 1s1u n PRO 170 Ca 0.11 0.08 0.03 0.00 -2.02 0.00 0.00 63.50 61.70 1s1u n PRO 170 Cb 0.38 -1.02 0.09 0.00 -0.02 0.00 0.00 33.50 32.92 1s1u n PRO 170 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1s1u n PHE 171 N -0.73 0.21 -0.05 6.00 7.35 -0.18 0.89 117.46 130.95 1s1u n PHE 171 Ca 0.00 0.92 -0.09 0.00 -0.76 0.00 0.00 57.45 57.52 1s1u n PHE 171 Cb 0.00 -0.90 -0.06 0.00 0.35 0.00 0.00 39.48 38.87 1s1u n PHE 171 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s1u h ARG 172 N 0.00 -0.30 -1.01 -4.13 3.08 -0.01 -1.85 114.38 110.16 1s1u h ARG 172 Ca 0.34 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.64 1s1u h ARG 172 Cb 0.52 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 1s1u h ARG 172 CO -0.77 -0.20 0.61 0.87 -1.07 0.00 0.00 179.97 179.42 1s1u h LYS 173 N -0.31 0.58 -0.52 0.04 1.57 0.20 0.44 116.57 118.56 1s1u h LYS 173 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s1u h LYS 173 Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1s1u h LYS 173 CO -0.33 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1s1u n GLN 174 N -4.81 2.16 -3.05 3.15 10.64 -0.79 -4.10 117.38 120.59 1s1u n GLN 174 Ca 0.26 -1.28 -0.15 0.00 -1.83 0.00 0.00 57.00 53.99 1s1u n GLN 174 Cb 0.73 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.62 1s1u n GLN 174 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1s1u n ASN 175 N 0.40 -0.15 0.21 2.61 3.02 0.16 -4.94 115.26 116.57 1s1u n ASN 175 Ca 0.12 -3.21 0.17 0.00 -0.03 0.00 0.00 54.58 51.63 1s1u n ASN 175 Cb 0.44 0.15 0.84 0.00 -0.61 0.00 0.00 39.78 40.59 1s1u n ASN 175 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1s1u h PRO 176 N 3.04 0.00 -0.29 3.52 0.11 -1.69 -1.66 132.00 135.03 1s1u h PRO 176 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1s1u h PRO 176 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1s1u h PRO 176 CO 0.39 0.00 0.14 0.38 -0.21 0.00 0.00 178.00 178.70 1s1u h ASP 177 N 0.00 0.37 -3.91 -2.05 2.03 -1.92 -3.45 116.42 107.49 1s1u h ASP 177 Ca 0.08 -0.12 -0.46 0.00 -0.73 0.00 0.00 57.03 55.80 1s1u h ASP 177 Cb 0.47 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.85 1s1u h ASP 177 CO -0.00 0.39 0.27 -0.63 -1.03 0.00 0.00 179.24 178.24 1s1u s ILE 178 N -5.73 4.43 -0.16 4.15 -1.09 -0.63 -4.73 121.20 117.44 1s1u s ILE 178 Ca -0.13 1.42 0.02 0.00 -2.23 0.00 0.00 60.65 59.73 1s1u s ILE 178 Cb 0.09 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1s1u s ILE 178 CO 0.72 -0.16 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.38 1s1u s VAL 179 N -1.97 2.13 0.03 2.92 1.01 -0.97 -5.00 120.40 118.55 1s1u s VAL 179 Ca 0.56 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1s1u s VAL 179 Cb -0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1s1u s VAL 179 CO 0.17 0.54 -0.22 -0.63 0.00 0.00 0.00 175.10 174.95 1s1u s ILE 180 N 1.05 1.78 -0.05 2.22 1.01 -1.26 -2.36 121.20 123.59 1s1u s ILE 180 Ca -0.01 -1.18 -0.01 0.00 0.00 0.00 0.00 60.65 59.44 1s1u s ILE 180 Cb -0.14 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.83 1s1u s ILE 180 CO -0.07 0.30 0.02 -0.47 0.00 0.00 0.00 174.94 174.72 1s1u s TYR 181 N -0.74 0.40 -0.17 3.97 6.14 -0.71 -5.02 117.35 121.21 1s1u s TYR 181 Ca 0.09 -0.00 -0.08 0.00 0.64 0.00 0.00 57.07 57.72 1s1u s TYR 181 Cb -0.09 -0.59 -0.04 0.00 0.42 0.00 0.00 41.96 41.66 1s1u s TYR 181 CO 0.01 -0.23 0.08 1.14 0.64 0.00 0.00 175.55 177.20 1s1u s GLN 182 N 1.71 3.90 -0.19 4.97 -2.07 -1.26 -0.98 119.66 125.75 1s1u s GLN 182 Ca 0.00 -0.29 -0.03 0.00 -1.82 0.00 0.00 55.36 53.23 1s1u s GLN 182 Cb -0.13 -3.24 0.06 0.00 -1.09 0.00 0.00 33.01 28.62 1s1u s GLN 182 CO -0.03 0.37 0.03 -0.47 -1.32 0.00 0.00 175.29 173.87 1s1u s TYR 183 N 0.11 1.03 0.00 9.60 6.14 -0.24 -5.02 117.35 128.97 1s1u s TYR 183 Ca 0.06 -0.83 0.00 0.00 0.64 0.00 0.00 57.07 56.95 1s1u s TYR 183 Cb -0.12 -1.02 0.00 0.00 0.42 0.00 0.00 41.96 41.24 1s1u s TYR 183 CO 0.00 -0.59 0.00 -1.33 0.64 0.00 0.00 175.55 174.27 1s1u n MET 184 N 5.05 0.00 -0.09 4.97 2.81 -1.26 -0.27 117.12 128.33 1s1u n MET 184 Ca -0.09 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.92 1s1u n MET 184 Cb 0.47 0.00 0.20 0.00 -0.71 0.00 0.00 33.22 33.18 1s1u n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1s1u n ASP 185 N 7.20 3.01 -4.75 7.83 10.43 -1.26 -4.95 116.55 134.07 1s1u n ASP 185 Ca 0.00 -1.95 -0.27 0.00 2.57 0.00 0.00 54.79 55.15 1s1u n ASP 185 Cb 0.00 -0.11 -0.06 0.00 1.84 0.00 0.00 41.12 42.78 1s1u n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1s1u s ASP 186 N -1.76 5.25 -0.23 -2.24 -0.00 0.63 -0.55 116.67 117.77 1s1u s ASP 186 Ca 0.34 -0.21 -0.01 0.00 -0.00 0.00 0.00 52.55 52.66 1s1u s ASP 186 Cb 0.21 -1.29 0.07 0.00 -0.00 0.00 0.00 42.92 41.91 1s1u s ASP 186 CO 0.31 0.08 0.01 -0.76 -0.00 0.00 0.00 175.17 174.81 1s1u s LEU 187 N -2.99 2.00 -0.11 1.23 2.01 -0.28 -1.08 118.68 119.47 1s1u s LEU 187 Ca 0.30 -1.14 -0.24 0.00 0.01 0.00 0.00 54.13 53.06 1s1u s LEU 187 Cb -0.10 -0.90 -0.03 0.00 0.01 0.00 0.00 46.19 45.18 1s1u s LEU 187 CO 0.22 -0.30 0.75 -0.31 1.01 0.00 0.00 176.35 177.72 1s1u s TYR 188 N 1.61 3.51 -0.17 0.29 1.51 -0.15 -0.94 117.35 123.02 1s1u s TYR 188 Ca -0.01 1.24 -0.03 0.00 -1.01 0.00 0.00 57.07 57.26 1s1u s TYR 188 Cb -0.18 -2.89 0.05 0.00 -0.11 0.00 0.00 41.96 38.84 1s1u s TYR 188 CO -0.10 -0.05 0.04 0.08 -1.11 0.00 0.00 175.55 174.42 1s1u s VAL 189 N 1.35 0.34 0.31 0.71 1.01 0.21 -1.74 120.40 122.59 1s1u s VAL 189 Ca 0.38 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.11 1s1u s VAL 189 Cb -0.17 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 1s1u s VAL 189 CO 0.16 -0.15 -0.12 -0.83 0.00 0.00 0.00 175.10 174.16 1s1u s GLY 190 N 1.95 2.04 0.36 4.51 0.00 -1.00 0.15 107.32 115.33 1s1u s GLY 190 Ca 0.01 -2.00 -0.15 0.00 0.00 0.00 0.00 44.72 42.58 1s1u s GLY 190 CO -0.08 -1.98 0.74 -1.35 0.00 0.00 0.00 173.10 170.43 1s1u s SER 191 N -3.55 0.05 0.00 1.64 1.04 -0.08 -2.28 113.70 110.52 1s1u s SER 191 Ca 0.31 -1.10 0.12 0.00 0.48 0.00 0.00 55.95 55.76 1s1u s SER 191 Cb 0.00 0.81 0.24 0.00 0.10 0.00 0.00 66.02 67.17 1s1u s SER 191 CO 0.15 -1.59 1.12 0.47 0.98 0.00 0.00 173.24 174.37 1s1u n ASP 192 N -1.25 2.61 -4.72 7.02 8.00 -1.26 -0.23 116.55 126.72 1s1u n ASP 192 Ca -0.07 -1.81 -0.39 0.00 0.71 0.00 0.00 54.79 53.23 1s1u n ASP 192 Cb 0.60 -0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.58 1s1u n ASP 192 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s1u n LEU 193 N 0.61 4.86 -4.75 0.64 4.77 -1.26 -4.79 117.00 117.08 1s1u n LEU 193 Ca 0.10 1.02 -0.39 0.00 -0.03 0.00 0.00 56.01 56.72 1s1u n LEU 193 Cb 0.38 -1.54 0.04 0.00 -2.33 0.00 0.00 43.42 39.97 1s1u n LEU 193 CO 0.08 -0.66 1.01 -1.61 -1.33 0.00 0.00 177.39 174.87 1s1u s GLU 194 N -2.61 3.27 0.00 3.23 8.01 -1.26 -4.35 118.70 124.99 1s1u s GLU 194 Ca 0.67 2.28 0.00 0.00 0.01 0.00 0.00 54.97 57.93 1s1u s GLU 194 Cb -0.45 -2.35 0.00 0.00 -4.31 0.00 0.00 34.13 27.02 1s1u s GLU 194 CO 0.53 -1.10 0.00 -0.89 0.01 0.00 0.00 175.26 173.80 1s1u n ILE 195 N -0.83 0.00 0.01 -1.63 2.08 -1.26 -0.53 119.36 117.20 1s1u n ILE 195 Ca 0.09 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.28 1s1u n ILE 195 Cb 0.44 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.26 1s1u n ILE 195 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1s1u h GLY 196 N 0.00 0.06 0.40 7.39 0.00 -1.99 -1.43 103.07 107.50 1s1u h GLY 196 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.44 1s1u h GLY 196 CO 0.00 0.03 0.62 -1.61 0.00 0.00 0.00 176.54 175.58 1s1u h GLN 197 N -0.06 0.85 0.10 4.80 5.75 -1.14 0.21 115.11 125.63 1s1u h GLN 197 Ca 0.01 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1s1u h GLN 197 Cb 0.12 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1s1u h GLN 197 CO -0.00 0.56 -0.05 1.25 -2.65 0.00 0.00 178.83 177.94 1s1u h HIS 198 N 0.88 -0.13 -1.26 3.99 2.76 -0.43 -1.60 115.15 119.36 1s1u h HIS 198 Ca 0.51 -0.00 0.46 0.00 -2.20 0.00 0.00 60.37 59.13 1s1u h HIS 198 Cb 0.64 0.04 -0.15 0.00 1.55 0.00 0.00 27.41 29.49 1s1u h HIS 198 CO -0.00 -0.08 0.77 -0.09 -1.30 0.00 0.00 177.93 177.23 1s1u h ARG 199 N -0.14 0.01 0.17 5.26 2.43 -0.19 0.22 114.38 122.14 1s1u h ARG 199 Ca -0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1s1u h ARG 199 Cb 0.11 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1s1u h ARG 199 CO 0.02 0.01 -0.08 1.79 -1.51 0.00 0.00 179.97 180.20 1s1u h THR 200 N 0.01 0.94 -0.27 0.20 1.35 -0.44 -3.17 112.91 111.53 1s1u h THR 200 Ca 0.87 -0.85 0.08 0.00 -0.55 0.00 0.00 66.41 65.96 1s1u h THR 200 Cb 2.63 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 70.47 1s1u h THR 200 CO -0.57 0.19 0.23 0.50 -0.25 0.00 0.00 175.52 175.62 1s1u h LYS 201 N -0.67 0.00 -0.06 4.72 3.64 0.45 0.24 116.57 124.88 1s1u h LYS 201 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1s1u h LYS 201 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1s1u h LYS 201 CO 0.04 0.00 0.04 0.82 -2.27 0.00 0.00 179.45 178.08 1s1u h ILE 202 N 0.00 1.02 -0.01 2.00 5.03 -1.40 -0.36 117.51 123.79 1s1u h ILE 202 Ca 0.13 -0.03 0.03 0.00 -0.12 0.00 0.00 64.86 64.86 1s1u h ILE 202 Cb 0.59 0.93 -0.03 0.00 -3.03 0.00 0.00 36.82 35.28 1s1u h ILE 202 CO -0.00 0.02 -0.17 -0.33 -0.68 0.00 0.00 178.15 176.99 1s1u h GLU 203 N 0.08 -0.26 -1.00 2.37 4.39 -0.96 1.12 114.58 120.32 1s1u h GLU 203 Ca 0.02 0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.92 1s1u h GLU 203 Cb -0.01 0.06 -0.18 0.00 -0.10 0.00 0.00 28.75 28.53 1s1u h GLU 203 CO -0.00 -0.17 -0.32 0.39 -1.16 0.00 0.00 179.01 177.74 1s1u n GLU 204 N -5.30 -0.16 0.30 2.33 1.02 -0.82 0.90 120.64 118.91 1s1u n GLU 204 Ca -0.05 1.55 -0.16 0.00 -0.02 0.00 0.00 57.16 58.47 1s1u n GLU 204 Cb 0.21 -2.30 -0.09 0.00 -0.02 0.00 0.00 31.44 29.25 1s1u n GLU 204 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1s1u h LEU 205 N 0.00 -0.61 -1.92 -4.62 5.85 0.40 0.49 115.31 114.90 1s1u h LEU 205 Ca 0.41 0.00 0.37 0.00 0.84 0.00 0.00 57.88 59.51 1s1u h LEU 205 Cb 0.66 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 1s1u h LEU 205 CO -1.01 -0.40 0.92 -0.09 -0.34 0.00 0.00 178.44 177.52 1s1u h ARG 206 N -0.76 0.04 0.04 1.25 2.43 0.79 0.32 114.38 118.49 1s1u h ARG 206 Ca -0.07 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1s1u h ARG 206 Cb 0.57 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1s1u h ARG 206 CO 0.12 0.02 -0.27 1.96 -1.51 0.00 0.00 179.97 180.29 1s1u h GLN 207 N 0.04 0.11 -1.05 0.20 1.08 0.93 -2.15 115.11 114.27 1s1u h GLN 207 Ca 0.63 -0.18 0.28 0.00 -1.45 0.00 0.00 58.65 57.94 1s1u h GLN 207 Cb 2.43 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 29.81 1s1u h GLN 207 CO -0.05 1.05 0.65 1.25 -0.95 0.00 0.00 178.83 180.78 1s1u h HIS 208 N -0.73 0.80 0.07 2.96 2.76 0.18 0.76 115.15 121.95 1s1u h HIS 208 Ca -0.05 0.03 -0.26 0.00 -2.20 0.00 0.00 60.37 57.89 1s1u h HIS 208 Cb 1.18 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 29.92 1s1u h HIS 208 CO 0.24 0.00 -1.13 -0.07 -1.30 0.00 0.00 177.93 175.68 1s1u h LEU 209 N 0.41 0.64 -0.56 0.26 3.38 -1.26 -3.26 115.31 114.91 1s1u h LEU 209 Ca 0.65 -0.58 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1s1u h LEU 209 Cb 1.54 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1s1u h LEU 209 CO -0.41 1.40 0.27 0.25 0.09 0.00 0.00 178.44 180.05 1s1u h LEU 210 N 0.21 0.37 -0.68 1.67 5.85 0.11 0.67 115.31 123.51 1s1u h LEU 210 Ca -0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1s1u h LEU 210 Cb 1.80 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1s1u h LEU 210 CO 0.20 0.25 0.24 0.54 -0.34 0.00 0.00 178.44 179.33 1s1u n ARG 211 N -4.89 0.07 -0.27 1.25 1.74 0.45 0.89 116.66 115.89 1s1u n ARG 211 Ca 0.06 0.51 0.08 0.00 -0.77 0.00 0.00 57.85 57.73 1s1u n ARG 211 Cb 0.18 -1.97 0.18 0.00 -1.02 0.00 0.00 32.46 29.83 1s1u n ARG 211 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1s1u n TRP 212 N -1.87 0.29 -1.34 -1.55 7.02 0.10 -4.94 117.44 115.15 1s1u n TRP 212 Ca -0.01 -1.08 -0.10 0.00 -1.02 0.00 0.00 57.50 55.29 1s1u n TRP 212 Cb 0.26 -0.22 -0.04 0.00 -2.42 0.00 0.00 31.31 28.88 1s1u n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1s1u n GLY 213 N -1.17 1.11 3.40 6.99 0.00 0.26 -4.43 105.19 111.35 1s1u n GLY 213 Ca 0.19 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 1s1u n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1u s LEU 214 N -2.36 5.08 0.08 0.99 1.43 -0.45 -4.91 118.68 118.54 1s1u s LEU 214 Ca 0.00 -1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 51.54 1s1u s LEU 214 Cb 0.00 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 1s1u s LEU 214 CO 0.00 -1.18 1.11 0.42 0.23 0.00 0.00 176.35 176.93 1s1u s THR 215 N 3.04 4.21 0.07 5.49 -4.23 -1.26 -3.61 115.64 119.35 1s1u s THR 215 Ca 0.15 1.67 0.01 0.00 -1.18 0.00 0.00 61.69 62.34 1s1u s THR 215 Cb -0.22 -4.07 -0.04 0.00 1.34 0.00 0.00 72.50 69.51 1s1u s THR 215 CO 0.08 0.18 -0.05 0.42 -0.54 0.00 0.00 174.62 174.70 1s1u s THR 216 N 0.66 0.47 0.47 3.99 -4.23 -1.26 -1.45 115.64 114.28 1s1u s THR 216 Ca 0.54 -1.74 -0.22 0.00 -1.18 0.00 0.00 61.69 59.08 1s1u s THR 216 Cb -0.27 -1.43 -0.07 0.00 1.34 0.00 0.00 72.50 72.06 1s1u s THR 216 CO 0.30 -0.85 1.15 -2.16 -0.54 0.00 0.00 174.62 172.52 1s1u s PRO 217 N -3.50 3.74 0.53 3.99 0.04 -1.26 -5.03 135.00 133.51 1s1u s PRO 217 Ca 0.06 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 1s1u s PRO 217 Cb 0.04 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1s1u s PRO 217 CO -0.06 -0.55 0.84 0.16 0.04 0.00 0.00 177.00 177.43 1s1u s ASP 218 N -1.45 6.04 0.22 6.66 -4.77 -1.26 -4.78 116.67 117.32 1s1u s ASP 218 Ca 0.64 0.90 -0.13 0.00 -3.30 0.00 0.00 52.55 50.66 1s1u s ASP 218 Cb -0.27 -2.09 0.28 0.00 -1.09 0.00 0.00 42.92 39.76 1s1u s ASP 218 CO 0.32 -0.76 1.40 1.17 0.70 0.00 0.00 175.17 178.00 1s1u n LYS 219 N -2.41 -0.17 0.30 2.11 0.00 -1.26 0.76 118.16 117.50 1s1u n LYS 219 Ca 0.02 1.39 0.20 0.00 0.00 0.00 0.00 58.31 59.93 1s1u n LYS 219 Cb 0.56 -2.07 1.06 0.00 0.00 0.00 0.00 35.03 34.57 1s1u n LYS 219 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1s1u h LYS 220 N 0.00 0.00 -0.06 1.64 3.64 -2.04 -2.75 116.57 117.00 1s1u h LYS 220 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1s1u h LYS 220 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1s1u h LYS 220 CO -0.91 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 176.99 1s1u n HIS 221 N -2.93 0.06 -2.00 1.91 8.25 0.23 -5.04 115.22 115.70 1s1u n HIS 221 Ca -0.02 -0.08 -0.31 0.00 -0.26 0.00 0.00 57.72 57.05 1s1u n HIS 221 Cb 0.09 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 1s1u n HIS 221 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1s1u s GLN 222 N -0.84 3.66 0.30 -0.41 -0.21 -0.80 -4.84 119.66 116.53 1s1u s GLN 222 Ca 0.13 0.82 -0.27 0.00 0.02 0.00 0.00 55.36 56.05 1s1u s GLN 222 Cb 0.08 -2.09 -0.09 0.00 1.00 0.00 0.00 33.01 31.91 1s1u s GLN 222 CO 0.12 -0.51 0.97 0.15 -2.12 0.00 0.00 175.29 173.90 1s1u s LYS 223 N -4.88 4.64 0.02 2.91 1.02 -1.26 -5.06 119.74 117.14 1s1u s LYS 223 Ca 0.56 1.44 0.02 0.00 0.02 0.00 0.00 55.97 58.01 1s1u s LYS 223 Cb -0.11 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1s1u s LYS 223 CO 0.48 0.31 0.03 -1.21 -0.92 0.00 0.00 175.35 174.04 1s1u s GLU 224 N -1.77 2.83 0.77 1.68 0.41 -1.26 -4.46 118.70 116.90 1s1u s GLU 224 Ca 0.47 -0.63 -0.15 0.00 -0.41 0.00 0.00 54.97 54.26 1s1u s GLU 224 Cb -0.22 -2.70 0.02 0.00 -1.78 0.00 0.00 34.13 29.45 1s1u s GLU 224 CO 0.28 0.61 0.90 -2.30 -0.49 0.00 0.00 175.26 174.26 1s1u n PRO 225 N 1.08 0.30 -1.72 0.39 -0.02 -1.26 -4.62 135.00 129.14 1s1u n PRO 225 Ca -0.13 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 1s1u n PRO 225 Cb 0.52 -2.17 0.12 0.00 -0.02 0.00 0.00 33.50 31.95 1s1u n PRO 225 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1s1u s PRO 226 N -3.48 1.47 -0.29 0.52 0.02 -1.26 -5.08 135.00 126.90 1s1u s PRO 226 Ca 0.70 0.16 -0.01 0.00 0.02 0.00 0.00 61.00 61.88 1s1u s PRO 226 Cb -0.32 -1.89 0.05 0.00 0.02 0.00 0.00 34.50 32.36 1s1u s PRO 226 CO 0.54 -1.95 -0.03 -0.06 -0.33 0.00 0.00 177.00 175.17 1s1u s PHE 227 N -3.45 3.24 -0.93 6.54 0.08 -0.93 -4.80 117.98 117.74 1s1u s PHE 227 Ca 0.64 -1.92 -0.24 0.00 0.12 0.00 0.00 56.93 55.52 1s1u s PHE 227 Cb -0.12 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1s1u s PHE 227 CO 0.51 -0.81 1.87 -0.48 -0.10 0.00 0.00 175.22 176.21 1s1u s LEU 228 N 1.23 3.22 -0.32 -0.37 2.34 -1.25 -0.25 118.68 123.28 1s1u s LEU 228 Ca -0.05 -0.84 -0.14 0.00 0.06 0.00 0.00 54.13 53.16 1s1u s LEU 228 Cb -0.19 -2.56 -0.03 0.00 -0.56 0.00 0.00 46.19 42.85 1s1u s LEU 228 CO -0.02 -2.55 0.29 0.86 -1.06 0.00 0.00 176.35 173.87 1s1u s TRP 229 N 9.25 3.22 0.00 3.48 -0.00 0.77 -4.77 118.94 130.89 1s1u s TRP 229 Ca 0.66 0.01 0.00 0.00 -0.00 0.00 0.00 56.10 56.77 1s1u s TRP 229 Cb -0.05 -2.54 0.00 0.00 -0.00 0.00 0.00 33.47 30.88 1s1u s TRP 229 CO -0.02 -0.33 0.00 -1.33 -0.00 0.00 0.00 176.95 175.28 1s1u n MET 230 N 5.23 0.00 0.00 5.86 2.81 -1.26 0.58 117.12 130.34 1s1u n MET 230 Ca -0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1s1u n MET 230 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 1s1u n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s1u n GLY 231 N -0.10 1.18 3.14 3.03 0.00 -1.26 -5.06 105.19 106.11 1s1u n GLY 231 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1s1u n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s1u s TYR 232 N -2.29 0.51 -0.30 1.61 1.51 0.20 -1.35 117.35 117.23 1s1u s TYR 232 Ca 0.00 -0.99 -0.07 0.00 -1.01 0.00 0.00 57.07 54.99 1s1u s TYR 232 Cb 0.00 -0.33 0.00 0.00 -0.11 0.00 0.00 41.96 41.53 1s1u s TYR 232 CO 0.00 -0.45 0.10 -1.21 -1.11 0.00 0.00 175.55 172.87 1s1u s GLU 233 N -3.94 3.16 -0.51 -0.62 2.02 -1.11 0.27 118.70 117.98 1s1u s GLU 233 Ca 0.10 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.18 1s1u s GLU 233 Cb 0.07 -3.41 0.13 0.00 0.10 0.00 0.00 34.13 31.02 1s1u s GLU 233 CO -0.07 -0.43 0.39 -0.51 0.02 0.00 0.00 175.26 174.66 1s1u s LEU 234 N 1.53 5.79 0.45 1.80 1.43 0.65 -3.19 118.68 127.13 1s1u s LEU 234 Ca 0.03 -2.01 -0.04 0.00 -1.03 0.00 0.00 54.13 51.09 1s1u s LEU 234 Cb -0.17 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1s1u s LEU 234 CO 0.03 -0.69 0.73 -1.00 0.23 0.00 0.00 176.35 175.66 1s1u s HIS 235 N 1.23 3.55 0.11 0.29 3.76 -0.35 -2.19 115.29 121.69 1s1u s HIS 235 Ca 0.07 0.71 0.31 0.00 -0.15 0.00 0.00 55.06 56.00 1s1u s HIS 235 Cb -0.25 -2.21 1.64 0.00 1.11 0.00 0.00 32.58 32.86 1s1u s HIS 235 CO -0.01 -0.19 1.95 -1.35 -0.85 0.00 0.00 174.74 174.29 1s1u h PRO 236 N 0.34 0.00 0.00 8.40 0.11 -1.89 -3.18 132.00 135.78 1s1u h PRO 236 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1s1u h PRO 236 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s1u h PRO 236 CO 0.62 0.00 -0.13 -0.40 -0.21 0.00 0.00 178.00 177.88 1s1u n ASP 237 N -2.62 0.63 -3.90 -2.05 3.85 -1.26 -0.58 116.55 110.61 1s1u n ASP 237 Ca -0.02 -0.32 -0.09 0.00 -0.71 0.00 0.00 54.79 53.66 1s1u n ASP 237 Cb 0.09 0.76 -0.06 0.00 -1.35 0.00 0.00 41.12 40.55 1s1u n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1s1u s LYS 238 N -0.88 1.27 0.24 0.11 -2.85 -1.20 -4.41 119.74 112.02 1s1u s LYS 238 Ca 0.00 -1.10 -0.12 0.00 -1.00 0.00 0.00 55.97 53.75 1s1u s LYS 238 Cb 0.00 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 36.19 1s1u s LYS 238 CO 0.00 -0.50 0.45 1.67 0.10 0.00 0.00 175.35 177.07 1s1u s TRP 239 N -3.95 0.42 0.00 1.78 1.48 -0.94 -1.22 118.94 116.52 1s1u s TRP 239 Ca 0.16 -0.77 0.00 0.00 -1.06 0.00 0.00 56.10 54.42 1s1u s TRP 239 Cb 0.02 0.13 0.00 0.00 -1.16 0.00 0.00 33.47 32.45 1s1u s TRP 239 CO 0.00 -0.96 0.00 -2.37 -4.06 0.00 0.00 176.95 169.56 1s1u n THR 240 N -0.37 0.00 -3.88 0.66 5.66 -1.19 0.13 114.28 115.28 1s1u n THR 240 Ca -0.01 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.76 1s1u n THR 240 Cb 0.62 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.35 1s1u n THR 240 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1s1u s VAL 241 N -2.98 2.56 -0.30 1.08 -7.23 -1.26 -2.77 120.40 109.49 1s1u s VAL 241 Ca 0.00 -1.54 -0.28 0.00 -1.81 0.00 0.00 61.98 58.35 1s1u s VAL 241 Cb 0.00 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 1s1u s VAL 241 CO 0.00 -0.02 1.78 -1.10 -0.31 0.00 0.00 175.10 175.45 1s1u s GLN 242 N -4.00 3.42 -0.09 4.82 -0.21 -0.46 -4.52 119.66 118.62 1s1u s GLN 242 Ca 0.44 1.50 -0.10 0.00 0.02 0.00 0.00 55.36 57.22 1s1u s GLN 242 Cb 0.00 -4.17 -0.04 0.00 1.00 0.00 0.00 33.01 29.79 1s1u s GLN 242 CO 0.25 -1.75 0.33 -2.30 -2.12 0.00 0.00 175.29 169.69 1s1u n PRO 243 N 8.30 0.00 -3.92 2.91 -0.02 -1.26 -4.93 135.00 136.08 1s1u n PRO 243 Ca 0.22 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.40 1s1u n PRO 243 Cb 0.46 -0.32 -0.16 0.00 -0.02 0.00 0.00 33.50 33.47 1s1u n PRO 243 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1s1u s ILE 244 N 0.56 1.47 -0.08 4.25 2.07 -1.26 -5.10 121.20 123.11 1s1u s ILE 244 Ca 0.22 -1.22 -0.03 0.00 -1.41 0.00 0.00 60.65 58.22 1s1u s ILE 244 Cb -0.31 -1.77 -0.04 0.00 0.13 0.00 0.00 42.46 40.47 1s1u s ILE 244 CO 0.17 -0.13 0.04 0.68 -1.91 0.00 0.00 174.94 173.79 1s1u s VAL 245 N 1.41 4.64 -0.17 4.00 -7.23 -1.26 -4.85 120.40 116.94 1s1u s VAL 245 Ca -0.05 -0.17 -0.19 0.00 -1.81 0.00 0.00 61.98 59.77 1s1u s VAL 245 Cb -0.19 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 1s1u s VAL 245 CO -0.07 0.57 0.52 -0.76 -0.31 0.00 0.00 175.10 175.05 1s1u s LEU 246 N -1.04 4.19 0.78 1.32 1.43 -1.26 -5.05 118.68 119.06 1s1u s LEU 246 Ca 0.15 0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 53.84 1s1u s LEU 246 Cb -0.12 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 1s1u s LEU 246 CO 0.04 -0.13 0.32 -2.65 0.23 0.00 0.00 176.35 174.16 1s1u n PRO 247 N 4.42 0.12 -2.35 1.29 -0.02 -1.26 -4.92 135.00 132.28 1s1u n PRO 247 Ca -0.05 0.08 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 1s1u n PRO 247 Cb 0.51 -1.69 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 1s1u n PRO 247 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1s1u n GLU 248 N -0.44 3.33 -1.38 -0.52 4.07 -1.26 -5.06 120.64 119.39 1s1u n GLU 248 Ca 0.08 -4.32 -0.29 0.00 -0.06 0.00 0.00 57.16 52.56 1s1u n GLU 248 Cb 0.51 -2.26 0.13 0.00 -0.06 0.00 0.00 31.44 29.77 1s1u n GLU 248 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1s1u s LYS 249 N -3.63 1.27 0.00 5.31 1.02 -1.26 -4.99 119.74 117.46 1s1u s LYS 249 Ca 0.49 0.57 0.00 0.00 0.02 0.00 0.00 55.97 57.05 1s1u s LYS 249 Cb 0.41 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.89 1s1u s LYS 249 CO -0.20 -2.17 0.20 -0.40 -0.92 0.00 0.00 175.35 171.86 1s1u n ASP 250 N -3.79 0.40 -3.70 2.83 3.85 -1.26 -4.95 116.55 109.92 1s1u n ASP 250 Ca 0.06 -0.70 -0.25 0.00 -0.71 0.00 0.00 54.79 53.20 1s1u n ASP 250 Cb 0.57 0.41 -0.17 0.00 -1.35 0.00 0.00 41.12 40.58 1s1u n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1s1u s SER 251 N -0.41 2.12 -0.12 -1.12 0.15 -1.26 -4.96 113.70 108.10 1s1u s SER 251 Ca 0.00 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 1s1u s SER 251 Cb 0.00 -0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 1s1u s SER 251 CO 0.00 -0.28 -0.10 0.26 1.20 0.00 0.00 173.24 174.32 1s1u s TRP 252 N 2.01 2.87 0.17 3.44 0.52 -1.26 -5.06 118.94 121.63 1s1u s TRP 252 Ca 0.02 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 55.72 1s1u s TRP 252 Cb -0.15 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 1s1u s TRP 252 CO -0.07 -0.05 0.37 -0.08 0.02 0.00 0.00 176.95 177.15 1s1u s THR 253 N 0.07 5.20 0.26 2.01 -1.32 -1.26 -1.58 115.64 119.03 1s1u s THR 253 Ca -0.04 -0.21 -0.03 0.00 -1.21 0.00 0.00 61.69 60.20 1s1u s THR 253 Cb -0.14 -3.69 0.29 0.00 -1.51 0.00 0.00 72.50 67.45 1s1u s THR 253 CO 0.04 -0.08 1.64 0.58 -2.21 0.00 0.00 174.62 174.60 1s1u h VAL 254 N 1.76 0.35 -0.47 5.08 2.07 -1.14 0.34 116.25 124.24 1s1u h VAL 254 Ca -0.47 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1s1u h VAL 254 Cb 1.18 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1s1u h VAL 254 CO 0.70 0.03 0.28 -1.13 0.02 0.00 0.00 177.57 177.47 1s1u h ASN 255 N 0.16 0.57 -0.42 0.57 -0.73 -1.53 -1.05 115.58 113.14 1s1u h ASN 255 Ca 0.46 -0.06 0.08 0.00 1.87 0.00 0.00 56.30 58.66 1s1u h ASN 255 Cb 0.86 -0.14 -0.07 0.00 0.27 0.00 0.00 38.32 39.24 1s1u h ASN 255 CO -0.65 0.46 -0.05 0.44 -0.37 0.00 0.00 177.43 177.26 1s1u h ASP 256 N 0.62 -0.29 -0.75 1.15 3.32 -0.67 0.91 116.42 120.72 1s1u h ASP 256 Ca 0.17 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1s1u h ASP 256 Cb 0.00 0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1s1u h ASP 256 CO -0.03 -0.10 0.36 0.40 -1.72 0.00 0.00 179.24 178.15 1s1u h ILE 257 N 0.05 1.24 0.38 0.35 2.04 -0.76 0.10 117.51 120.90 1s1u h ILE 257 Ca 0.21 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1s1u h ILE 257 Cb 0.31 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1s1u h ILE 257 CO -0.39 0.29 -0.18 1.56 0.00 0.00 0.00 178.15 179.43 1s1u h GLN 258 N 1.08 -0.49 -0.98 2.37 4.20 0.09 0.16 115.11 121.55 1s1u h GLN 258 Ca 0.26 0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.13 1s1u h GLN 258 Cb 0.12 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.93 1s1u h GLN 258 CO -0.03 -0.30 0.62 0.87 -0.67 0.00 0.00 178.83 179.32 1s1u h LYS 259 N -0.55 0.90 0.12 1.46 1.57 -0.44 -0.54 116.57 119.10 1s1u h LYS 259 Ca -0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1s1u h LYS 259 Cb 0.41 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1s1u h LYS 259 CO 0.08 0.60 -0.06 1.25 -0.57 0.00 0.00 179.45 180.75 1s1u h LEU 260 N 0.93 -0.14 -0.19 2.94 5.85 -0.34 -1.20 115.31 123.17 1s1u h LEU 260 Ca 0.49 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 59.07 1s1u h LEU 260 Cb 0.54 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1s1u h LEU 260 CO -0.25 0.11 -0.14 0.58 -0.34 0.00 0.00 178.44 178.40 1s1u h VAL 261 N -0.38 0.61 -0.31 1.05 2.07 0.00 0.32 116.25 119.61 1s1u h VAL 261 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1s1u h VAL 261 Cb 0.31 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 1s1u h VAL 261 CO 0.03 0.00 -0.26 1.23 0.02 0.00 0.00 177.57 178.59 1s1u h GLY 262 N -0.14 -0.14 0.49 2.17 0.00 -1.04 0.51 103.07 104.92 1s1u h GLY 262 Ca 0.11 0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1s1u h GLY 262 CO -0.27 -0.20 -0.24 0.50 0.00 0.00 0.00 176.54 176.32 1s1u h LYS 263 N -0.23 -0.38 -0.83 4.80 1.57 -0.46 -1.11 116.57 119.92 1s1u h LYS 263 Ca 0.16 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.14 1s1u h LYS 263 Cb 0.48 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1s1u h LYS 263 CO -0.44 -0.26 0.37 -0.07 -0.57 0.00 0.00 179.45 178.48 1s1u h LEU 264 N -0.40 0.35 0.53 2.94 4.07 0.88 -1.52 115.31 122.17 1s1u h LEU 264 Ca 0.05 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 1s1u h LEU 264 Cb 0.46 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1s1u h LEU 264 CO -0.19 0.09 -0.39 0.78 -1.08 0.00 0.00 178.44 177.65 1s1u h ASN 265 N 0.47 -1.01 -0.89 -0.43 4.21 0.91 -2.24 115.58 116.60 1s1u h ASN 265 Ca 0.48 0.07 0.09 0.00 1.21 0.00 0.00 56.30 58.15 1s1u h ASN 265 Cb 0.80 0.31 -0.11 0.00 -1.12 0.00 0.00 38.32 38.19 1s1u h ASN 265 CO -0.44 -0.56 -0.49 1.87 -1.29 0.00 0.00 177.43 176.52 1s1u n TRP 266 N -4.80 -0.31 -0.26 1.19 -0.00 -0.51 -0.20 117.44 112.55 1s1u n TRP 266 Ca -0.11 1.11 0.21 0.00 -0.00 0.00 0.00 57.50 58.72 1s1u n TRP 266 Cb 0.38 -0.62 0.53 0.00 -0.00 0.00 0.00 31.31 31.59 1s1u n TRP 266 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1s1u h ALA 267 N 0.61 2.28 -0.74 5.87 0.00 -1.08 -2.64 119.26 123.57 1s1u h ALA 267 Ca 0.18 0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.30 1s1u h ALA 267 Cb 0.40 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1s1u h ALA 267 CO -0.85 -0.60 0.52 0.77 0.00 0.00 0.00 179.25 179.09 1s1u h SER 268 N 0.37 0.13 0.00 0.00 0.02 0.02 0.36 113.55 114.45 1s1u h SER 268 Ca 0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1s1u h SER 268 Cb 1.33 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1s1u h SER 268 CO -0.19 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.56 1s1u n GLN 269 N -4.38 0.14 0.00 3.45 10.64 -0.99 -3.60 117.38 122.64 1s1u n GLN 269 Ca 0.15 0.64 0.00 0.00 -1.83 0.00 0.00 57.00 55.96 1s1u n GLN 269 Cb 0.71 -1.98 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 1s1u n GLN 269 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 1s1u n ILE 270 N -2.28 0.00 -2.90 -0.39 0.13 -0.16 -1.09 119.36 112.66 1s1u n ILE 270 Ca -0.01 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.21 1s1u n ILE 270 Cb 0.04 -0.19 -0.05 0.00 -0.84 0.00 0.00 39.64 38.60 1s1u n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 1s1u s TYR 271 N -1.34 2.90 0.68 9.51 2.02 0.11 -4.72 117.35 126.50 1s1u s TYR 271 Ca 0.00 0.05 -0.13 0.00 -0.37 0.00 0.00 57.07 56.62 1s1u s TYR 271 Cb 0.00 -3.88 0.00 0.00 -0.40 0.00 0.00 41.96 37.68 1s1u s TYR 271 CO 0.00 -1.17 1.07 -1.25 -1.57 0.00 0.00 175.55 172.63 1s1u s PRO 272 N 3.59 2.88 0.00 -1.71 0.04 -1.26 -3.50 135.00 135.04 1s1u s PRO 272 Ca 0.30 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1s1u s PRO 272 Cb -0.13 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1s1u s PRO 272 CO 0.21 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.50 1s1u n GLY 273 N -1.30 0.84 3.72 0.56 0.00 -1.26 -4.98 105.19 102.78 1s1u n GLY 273 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1s1u n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1u s ILE 274 N -3.52 3.46 0.04 -0.61 -1.09 -1.23 -4.92 121.20 113.32 1s1u s ILE 274 Ca 0.00 1.08 0.04 0.00 -2.23 0.00 0.00 60.65 59.54 1s1u s ILE 274 Cb 0.00 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1s1u s ILE 274 CO 0.00 0.10 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.16 1s1u s LYS 275 N 0.81 0.73 0.00 2.79 1.02 -1.26 -4.98 119.74 118.85 1s1u s LYS 275 Ca 0.61 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1s1u s LYS 275 Cb -0.35 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1s1u s LYS 275 CO 0.32 0.16 0.57 1.33 -0.92 0.00 0.00 175.35 176.80 1s1u n VAL 276 N 1.91 0.14 -0.02 3.17 0.24 -1.26 -4.89 118.33 117.62 1s1u n VAL 276 Ca -0.19 -0.14 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 1s1u n VAL 276 Cb 0.55 0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 33.81 1s1u n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1s1u h ARG 277 N 0.00 -0.41 -0.55 7.34 2.43 -2.00 -2.47 114.38 118.72 1s1u h ARG 277 Ca 0.00 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1s1u h ARG 277 Cb 0.92 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 1s1u h ARG 277 CO 0.00 -0.27 0.34 1.96 -1.51 0.00 0.00 179.97 180.49 1s1u h GLN 278 N -0.42 0.74 -1.66 0.20 1.08 -1.90 -1.15 115.11 112.01 1s1u h GLN 278 Ca 0.10 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1s1u h GLN 278 Cb 0.58 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1s1u h GLN 278 CO -0.40 0.53 0.00 1.28 -0.95 0.00 0.00 178.83 179.29 1s1u n LEU 279 N -4.66 0.32 0.00 1.46 7.99 -0.93 -2.73 117.00 118.45 1s1u n LEU 279 Ca 0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 56.01 55.87 1s1u n LEU 279 Cb 0.05 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 1s1u n LEU 279 CO 0.36 0.05 0.00 1.17 -1.51 0.00 0.00 177.39 177.46 1s1u n LYS 281 N 0.88 0.00 0.18 3.23 4.81 -0.44 -4.21 118.16 122.61 1s1u n LYS 281 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1s1u n LYS 281 Cb 0.05 -0.02 0.27 0.00 0.02 0.00 0.00 35.03 35.36 1s1u n LYS 281 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1s1u h LEU 282 N 0.00 0.00 0.00 3.14 -0.00 -1.80 -2.24 115.31 114.41 1s1u h LEU 282 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.69 1s1u h LEU 282 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1s1u h LEU 282 CO 0.00 0.00 -1.13 -0.07 -0.00 0.00 0.00 178.44 177.24 1s1u h LEU 283 N 0.00 0.00 -7.93 1.67 -0.00 -1.91 -3.46 115.31 103.68 1s1u h LEU 283 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.21 1s1u h LEU 283 Cb 0.91 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 41.63 1s1u h LEU 283 CO 0.00 0.78 -0.06 0.54 -0.00 0.00 0.00 178.44 179.70 1s1u n ARG 284 N -3.15 0.00 -0.66 1.13 1.74 -0.84 -0.99 116.66 113.89 1s1u n ARG 284 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1s1u n ARG 284 Cb 0.89 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 31.10 1s1u n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1u n GLY 285 N 1.41 0.07 3.75 -0.13 0.00 -1.26 -4.94 105.19 104.10 1s1u n GLY 285 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1s1u n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s1u s THR 286 N -1.20 2.02 -1.39 2.61 -4.23 -0.16 -4.95 115.64 108.34 1s1u s THR 286 Ca 0.00 0.02 0.15 0.00 -1.18 0.00 0.00 61.69 60.68 1s1u s THR 286 Cb 0.00 -3.01 -0.00 0.00 1.34 0.00 0.00 72.50 70.83 1s1u s THR 286 CO 0.00 0.00 0.82 2.29 -0.54 0.00 0.00 174.62 177.19 1s1u n LYS 287 N 1.95 1.73 -3.62 3.99 -0.00 -1.26 -5.02 118.16 115.93 1s1u n LYS 287 Ca 0.07 -0.79 -0.15 0.00 -0.00 0.00 0.00 58.31 57.44 1s1u n LYS 287 Cb 0.37 -1.24 -0.07 0.00 -0.00 0.00 0.00 35.03 34.09 1s1u n LYS 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1u s ALA 288 N -1.78 -1.63 -0.58 0.58 0.00 -1.26 -5.01 121.76 112.08 1s1u s ALA 288 Ca 0.13 1.62 0.13 0.00 0.00 0.00 0.00 51.96 53.83 1s1u s ALA 288 Cb 0.12 -0.70 0.67 0.00 0.00 0.00 0.00 23.12 23.21 1s1u s ALA 288 CO 0.37 -0.33 1.40 1.28 0.00 0.00 0.00 175.76 178.48 1s1u n LEU 289 N 2.09 0.32 -0.47 0.00 4.32 -1.26 -1.21 117.00 120.79 1s1u n LEU 289 Ca -0.16 0.64 0.04 0.00 -0.02 0.00 0.00 56.01 56.51 1s1u n LEU 289 Cb 0.56 -0.66 0.12 0.00 -1.62 0.00 0.00 43.42 41.81 1s1u n LEU 289 CO 0.12 -0.70 0.60 0.35 -1.22 0.00 0.00 177.39 176.53 1s1u n THR 290 N -1.92 1.11 -2.34 -5.08 -2.24 -1.26 -1.44 114.28 101.11 1s1u n THR 290 Ca -0.00 -1.09 -0.34 0.00 -2.27 0.00 0.00 64.05 60.34 1s1u n THR 290 Cb 0.04 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1s1u n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1s1u s GLU 291 N -1.17 3.53 -0.15 -0.78 2.12 -0.35 -4.79 118.70 117.11 1s1u s GLU 291 Ca 0.19 1.45 -0.03 0.00 0.36 0.00 0.00 54.97 56.94 1s1u s GLU 291 Cb 0.11 -2.05 -0.03 0.00 0.26 0.00 0.00 34.13 32.43 1s1u s GLU 291 CO 0.11 -0.68 -0.05 0.08 -0.54 0.00 0.00 175.26 174.18 1s1u s VAL 292 N -1.96 3.77 -0.11 3.70 1.01 -1.26 -1.00 120.40 124.56 1s1u s VAL 292 Ca 0.69 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1s1u s VAL 292 Cb -0.20 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1s1u s VAL 292 CO 0.25 0.50 -0.22 -0.63 0.00 0.00 0.00 175.10 175.01 1s1u s ILE 293 N 0.31 2.25 0.54 2.22 1.09 -0.61 -5.00 121.20 121.99 1s1u s ILE 293 Ca -0.05 -0.95 -0.16 0.00 -1.10 0.00 0.00 60.65 58.40 1s1u s ILE 293 Cb -0.14 -1.88 -0.07 0.00 -1.06 0.00 0.00 42.46 39.31 1s1u s ILE 293 CO 0.03 0.55 1.00 -2.16 -0.10 0.00 0.00 174.94 174.26 1s1u s PRO 294 N 0.38 3.87 0.36 2.79 0.04 -1.26 -4.19 135.00 136.98 1s1u s PRO 294 Ca -0.17 0.92 -0.23 0.00 0.04 0.00 0.00 61.00 61.56 1s1u s PRO 294 Cb -0.17 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 1s1u s PRO 294 CO 0.08 -0.34 0.92 -0.51 0.04 0.00 0.00 177.00 177.19 1s1u s LEU 295 N -4.28 4.18 0.46 -3.56 2.01 -1.26 -5.06 118.68 111.17 1s1u s LEU 295 Ca 0.58 1.73 -0.00 0.00 0.01 0.00 0.00 54.13 56.45 1s1u s LEU 295 Cb -0.10 -4.19 -0.00 0.00 0.01 0.00 0.00 46.19 41.91 1s1u s LEU 295 CO 0.36 -0.18 0.69 -0.89 1.01 0.00 0.00 176.35 177.34 1s1u s THR 296 N -1.84 4.02 0.44 5.49 2.01 -1.26 -4.88 115.64 119.62 1s1u s THR 296 Ca 0.54 -0.42 0.13 0.00 0.31 0.00 0.00 61.69 62.25 1s1u s THR 296 Cb -0.15 -3.50 0.19 0.00 0.01 0.00 0.00 72.50 69.06 1s1u s THR 296 CO 0.19 -0.37 2.00 -0.08 -0.69 0.00 0.00 174.62 175.67 1s1u h GLU 297 N 0.34 0.11 0.07 4.92 4.81 -1.99 0.12 114.58 122.96 1s1u h GLU 297 Ca -0.46 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.48 1s1u h GLU 297 Cb 1.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1s1u h GLU 297 CO 0.58 0.23 -1.33 0.93 -0.73 0.00 0.00 179.01 178.68 1s1u h GLU 298 N 0.11 0.14 0.15 1.92 3.07 -1.98 -2.74 114.58 115.25 1s1u h GLU 298 Ca 0.02 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.63 1s1u h GLU 298 Cb 0.27 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1s1u h GLU 298 CO 0.02 1.01 -0.07 0.00 -1.40 0.00 0.00 179.01 178.56 1s1u h ALA 299 N 0.74 -0.21 0.00 3.43 0.00 -1.69 -1.37 119.26 120.15 1s1u h ALA 299 Ca -0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1s1u h ALA 299 Cb 1.93 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1s1u h ALA 299 CO 0.15 -0.42 -0.22 0.93 0.00 0.00 0.00 179.25 179.69 1s1u h GLU 300 N -0.61 0.00 -0.21 0.00 5.08 -0.92 0.17 114.58 118.09 1s1u h GLU 300 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1s1u h GLU 300 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1s1u h GLU 300 CO 0.03 0.22 0.01 1.25 -1.00 0.00 0.00 179.01 179.53 1s1u h LEU 301 N 0.00 0.35 -0.40 1.33 5.85 -1.45 -0.49 115.31 120.50 1s1u h LEU 301 Ca -0.00 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1s1u h LEU 301 Cb 0.41 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1s1u h LEU 301 CO 0.03 0.56 0.15 -0.08 -0.34 0.00 0.00 178.44 178.77 1s1u h GLU 302 N 0.13 0.60 0.22 1.25 4.81 -0.57 0.15 114.58 121.17 1s1u h GLU 302 Ca 0.06 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1s1u h GLU 302 Cb 0.38 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1s1u h GLU 302 CO 0.01 0.57 -0.26 1.25 -0.73 0.00 0.00 179.01 179.85 1s1u h LEU 303 N 0.50 -0.71 -1.20 1.64 6.46 -0.50 0.17 115.31 121.67 1s1u h LEU 303 Ca 0.13 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.02 1s1u h LEU 303 Cb 0.20 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.33 1s1u h LEU 303 CO -0.01 -0.37 0.56 0.00 -0.62 0.00 0.00 178.44 178.00 1s1u h ALA 304 N 0.14 1.54 -0.19 1.25 0.00 -0.91 0.42 119.26 121.51 1s1u h ALA 304 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1s1u h ALA 304 Cb 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1s1u h ALA 304 CO -0.08 0.34 -0.35 1.49 0.00 0.00 0.00 179.25 180.65 1s1u h GLU 305 N 0.99 0.40 -0.01 0.00 4.81 0.34 -1.33 114.58 119.77 1s1u h GLU 305 Ca 0.36 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.26 1s1u h GLU 305 Cb 0.17 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.55 1s1u h GLU 305 CO -0.13 0.70 -0.62 -0.91 -0.73 0.00 0.00 179.01 177.32 1s1u h ASN 306 N 0.34 0.57 -0.98 1.04 2.35 0.33 -2.38 115.58 116.86 1s1u h ASN 306 Ca 0.04 -0.74 0.18 0.00 -0.55 0.00 0.00 56.30 55.23 1s1u h ASN 306 Cb 0.77 -0.17 -0.11 0.00 0.05 0.00 0.00 38.32 38.86 1s1u h ASN 306 CO 0.06 1.24 0.57 -0.09 -1.65 0.00 0.00 177.43 177.56 1s1u h ARG 307 N -0.04 0.70 -0.46 0.81 2.43 -0.00 0.11 114.38 117.93 1s1u h ARG 307 Ca -0.07 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.91 1s1u h ARG 307 Cb 1.32 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1s1u h ARG 307 CO 0.12 0.47 -0.26 0.93 -1.51 0.00 0.00 179.97 179.72 1s1u h GLU 308 N 0.73 0.99 -0.12 0.20 4.39 -1.22 -1.95 114.58 117.59 1s1u h GLU 308 Ca 0.56 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1s1u h GLU 308 Cb 0.87 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1s1u h GLU 308 CO -0.39 1.12 0.04 0.82 -1.16 0.00 0.00 179.01 179.45 1s1u h ILE 309 N 0.84 1.16 -0.62 3.13 2.04 -0.35 -3.16 117.51 120.55 1s1u h ILE 309 Ca 0.10 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 1s1u h ILE 309 Cb 0.85 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1s1u h ILE 309 CO 0.08 0.15 0.10 -0.07 0.00 0.00 0.00 178.15 178.40 1s1u h LEU 310 N 0.03 0.97 -0.99 1.44 3.38 -0.88 -3.11 115.31 116.15 1s1u h LEU 310 Ca 0.04 -0.22 0.19 0.00 0.09 0.00 0.00 57.88 57.98 1s1u h LEU 310 Cb 0.19 -0.26 -0.18 0.00 0.09 0.00 0.00 40.66 40.50 1s1u h LEU 310 CO -0.00 0.97 -0.27 0.11 0.09 0.00 0.00 178.44 179.33 1s1u h LYS 311 N 0.95 -0.00 -6.02 1.13 1.57 -1.31 -3.30 116.57 109.59 1s1u h LYS 311 Ca 0.19 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.37 1s1u h LYS 311 Cb 0.41 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.61 1s1u h LYS 311 CO 0.01 -0.00 0.62 -2.00 -0.57 0.00 0.00 179.45 177.51 1s1u s GLU 312 N -6.21 3.41 0.51 3.15 2.12 -1.18 -5.03 118.70 115.48 1s1u s GLU 312 Ca -0.15 -0.09 -0.22 0.00 0.36 0.00 0.00 54.97 54.87 1s1u s GLU 312 Cb 0.26 -4.01 -0.06 0.00 0.26 0.00 0.00 34.13 30.58 1s1u s GLU 312 CO 0.77 -1.43 1.27 -2.14 -0.54 0.00 0.00 175.26 173.18 1s1u s PRO 313 N 4.01 3.38 0.16 4.30 0.02 -1.25 -4.98 135.00 140.65 1s1u s PRO 313 Ca 0.34 2.02 0.06 0.00 0.02 0.00 0.00 61.00 63.44 1s1u s PRO 313 Cb -0.11 -2.30 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 1s1u s PRO 313 CO 0.22 -0.93 -0.13 0.14 -0.33 0.00 0.00 177.00 175.97 1s1u s VAL 314 N -1.42 1.43 -0.05 3.83 -7.23 -1.26 -5.15 120.40 110.55 1s1u s VAL 314 Ca 0.69 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1s1u s VAL 314 Cb -0.35 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.77 1s1u s VAL 314 CO 0.41 -0.61 0.03 -1.38 -0.31 0.00 0.00 175.10 173.24 1s1u s HIS 315 N -2.92 0.37 0.62 2.82 -3.43 -1.25 -4.55 115.29 106.94 1s1u s HIS 315 Ca 0.17 0.04 -0.17 0.00 -0.80 0.00 0.00 55.06 54.30 1s1u s HIS 315 Cb -0.00 -0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 30.50 1s1u s HIS 315 CO 0.04 -0.25 1.17 0.20 -2.00 0.00 0.00 174.74 173.89 1s1u s GLY 316 N 1.99 2.51 0.38 -1.38 0.00 0.34 -4.74 107.32 106.43 1s1u s GLY 316 Ca 0.04 0.83 0.04 0.00 0.00 0.00 0.00 44.72 45.63 1s1u s GLY 316 CO -0.04 1.21 0.56 0.54 0.00 0.00 0.00 173.10 175.37 1s1u s VAL 317 N -1.87 4.10 0.49 1.40 0.11 0.10 -2.21 120.40 122.51 1s1u s VAL 317 Ca 0.73 -0.76 -0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1s1u s VAL 317 Cb -0.26 -3.46 -0.01 0.00 -1.53 0.00 0.00 36.38 31.11 1s1u s VAL 317 CO 0.35 -0.25 0.75 -0.31 -3.33 0.00 0.00 175.10 172.32 1s1u s TYR 318 N -2.35 3.33 0.09 1.54 4.12 -1.26 -4.50 117.35 118.32 1s1u s TYR 318 Ca 0.46 0.49 -0.31 0.00 0.02 0.00 0.00 57.07 57.73 1s1u s TYR 318 Cb -0.10 -2.40 -0.07 0.00 -1.52 0.00 0.00 41.96 37.87 1s1u s TYR 318 CO 0.34 -0.43 1.37 -0.47 0.02 0.00 0.00 175.55 176.38 1s1u s TYR 319 N -2.70 3.21 -0.56 2.71 6.04 0.22 -4.83 117.35 121.45 1s1u s TYR 319 Ca 0.49 0.97 0.03 0.00 0.04 0.00 0.00 57.07 58.61 1s1u s TYR 319 Cb -0.10 -3.65 0.14 0.00 -1.04 0.00 0.00 41.96 37.31 1s1u s TYR 319 CO 0.41 -2.26 0.31 0.34 -1.54 0.00 0.00 175.55 172.81 1s1u s ASP 320 N 1.21 4.49 0.66 4.32 3.68 -1.26 -4.01 116.67 125.76 1s1u s ASP 320 Ca 0.64 -3.10 0.27 0.00 2.13 0.00 0.00 52.55 52.49 1s1u s ASP 320 Cb -0.35 -1.67 1.48 0.00 -1.45 0.00 0.00 42.92 40.93 1s1u s ASP 320 CO 0.30 -0.23 1.84 1.55 0.13 0.00 0.00 175.17 178.76 1s1u h PRO 321 N 6.43 0.00 0.00 4.34 0.13 -1.99 0.10 132.00 141.01 1s1u h PRO 321 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 1s1u h PRO 321 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1s1u h PRO 321 CO 0.70 0.00 -0.44 0.66 -0.23 0.00 0.00 178.00 178.68 1s1u h SER 322 N 0.00 0.00 -2.47 1.44 4.64 -2.03 -3.45 113.55 111.68 1s1u h SER 322 Ca 0.03 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.90 1s1u h SER 322 Cb 0.85 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.96 1s1u h SER 322 CO -0.00 0.44 -0.14 -0.54 -0.87 0.00 0.00 176.83 175.72 1s1u s LYS 323 N -3.52 2.98 0.33 4.77 -0.14 0.35 -5.09 119.74 119.42 1s1u s LYS 323 Ca 0.00 -0.67 -0.09 0.00 -1.36 0.00 0.00 55.97 53.85 1s1u s LYS 323 Cb 0.11 -2.61 -0.07 0.00 -1.68 0.00 0.00 37.83 33.59 1s1u s LYS 323 CO 0.71 -0.28 0.67 -0.51 -0.76 0.00 0.00 175.35 175.18 1s1u s ASP 324 N -4.25 6.55 -0.19 2.83 1.01 -1.26 -4.94 116.67 116.42 1s1u s ASP 324 Ca 0.49 1.01 -0.03 0.00 0.71 0.00 0.00 52.55 54.73 1s1u s ASP 324 Cb -0.10 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 1s1u s ASP 324 CO 0.36 -0.27 -0.05 -1.48 0.21 0.00 0.00 175.17 173.95 1s1u s LEU 325 N -3.49 3.01 -0.15 1.23 2.34 -1.26 -4.14 118.68 116.23 1s1u s LEU 325 Ca 0.49 -0.28 -0.05 0.00 0.06 0.00 0.00 54.13 54.34 1s1u s LEU 325 Cb -0.11 -1.74 -0.04 0.00 -0.56 0.00 0.00 46.19 43.74 1s1u s LEU 325 CO 0.27 0.07 0.05 -0.63 -1.06 0.00 0.00 176.35 175.05 1s1u s ILE 326 N 0.95 4.66 -0.12 1.48 -1.09 0.30 -2.23 121.20 125.14 1s1u s ILE 326 Ca -0.00 -0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1s1u s ILE 326 Cb -0.15 -3.05 -0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1s1u s ILE 326 CO 0.01 0.52 -0.19 0.00 -1.23 0.00 0.00 174.94 174.05 1s1u s ALA 327 N -0.15 2.36 -0.04 9.38 0.00 -0.74 0.15 121.76 132.73 1s1u s ALA 327 Ca 0.06 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.10 1s1u s ALA 327 Cb -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1s1u s ALA 327 CO 0.01 0.17 -0.22 -2.00 0.00 0.00 0.00 175.76 173.72 1s1u s GLU 328 N 0.50 2.04 0.01 0.00 2.12 -0.03 -0.85 118.70 122.50 1s1u s GLU 328 Ca -0.13 -0.80 0.08 0.00 0.36 0.00 0.00 54.97 54.49 1s1u s GLU 328 Cb -0.17 -1.85 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 1s1u s GLU 328 CO 0.05 0.40 -0.24 0.42 -0.54 0.00 0.00 175.26 175.35 1s1u s ILE 329 N -0.30 1.90 0.04 -3.70 1.01 -1.15 -1.20 121.20 117.81 1s1u s ILE 329 Ca 0.02 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 59.54 1s1u s ILE 329 Cb -0.11 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1s1u s ILE 329 CO 0.01 0.42 -0.07 -1.10 0.00 0.00 0.00 174.94 174.20 1s1u s GLN 330 N -0.88 0.51 -0.47 2.79 1.11 0.27 -4.43 119.66 118.56 1s1u s GLN 330 Ca 0.10 -0.76 -0.23 0.00 0.01 0.00 0.00 55.36 54.48 1s1u s GLN 330 Cb -0.09 -0.24 0.03 0.00 -1.01 0.00 0.00 33.01 31.70 1s1u s GLN 330 CO 0.00 0.03 0.79 0.21 0.01 0.00 0.00 175.29 176.34 1s1u s LYS 331 N -1.63 3.35 0.26 2.91 2.20 -1.26 0.48 119.74 126.05 1s1u s LYS 331 Ca -0.10 -0.23 0.22 0.00 -0.36 0.00 0.00 55.97 55.49 1s1u s LYS 331 Cb -0.10 -3.98 0.08 0.00 -1.51 0.00 0.00 37.83 32.33 1s1u s LYS 331 CO 0.00 -1.19 1.20 0.37 -0.36 0.00 0.00 175.35 175.38 1s1u h GLN 332 N 9.03 0.00 -2.08 4.03 4.15 -0.70 -3.44 115.11 126.09 1s1u h GLN 332 Ca -0.25 0.00 0.30 0.00 0.77 0.00 0.00 58.65 59.47 1s1u h GLN 332 Cb 1.08 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.70 1s1u h GLN 332 CO 0.98 0.06 0.82 0.20 -1.93 0.00 0.00 178.83 178.96 1s1u s GLY 333 N -4.37 -0.13 -0.15 2.39 0.00 -1.07 -4.94 107.32 99.04 1s1u s GLY 333 Ca 0.02 0.09 -0.29 0.00 0.00 0.00 0.00 44.72 44.53 1s1u s GLY 333 CO 0.76 3.82 1.88 1.62 0.00 0.00 0.00 173.10 181.18 1s1u s GLN 334 N -2.15 3.69 0.00 2.90 0.74 -1.26 -0.67 119.66 122.91 1s1u s GLN 334 Ca 0.25 2.01 0.00 0.00 0.05 0.00 0.00 55.36 57.66 1s1u s GLN 334 Cb 0.00 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.95 1s1u s GLN 334 CO -0.00 -1.44 0.00 0.41 -0.55 0.00 0.00 175.29 173.71 1s1u n GLY 335 N 4.94 1.99 3.73 2.59 0.00 -1.26 -5.04 105.19 112.16 1s1u n GLY 335 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1s1u n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s1u s GLN 336 N -0.54 3.22 0.00 1.61 1.11 0.15 -4.16 119.66 121.05 1s1u s GLN 336 Ca 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 55.36 55.06 1s1u s GLN 336 Cb 0.00 -2.95 -0.01 0.00 -1.01 0.00 0.00 33.01 29.04 1s1u s GLN 336 CO 0.00 0.68 -0.04 -1.58 0.01 0.00 0.00 175.29 174.36 1s1u s TRP 337 N -0.80 0.39 0.06 0.91 0.52 -0.44 0.05 118.94 119.62 1s1u s TRP 337 Ca 0.13 -0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.20 1s1u s TRP 337 Cb -0.12 -0.25 -0.03 0.00 -1.15 0.00 0.00 33.47 31.93 1s1u s TRP 337 CO 0.03 -0.02 -0.22 0.95 0.02 0.00 0.00 176.95 177.70 1s1u s THR 338 N -0.26 1.82 0.09 2.01 -4.23 0.18 -0.15 115.64 115.10 1s1u s THR 338 Ca -0.00 -1.33 -0.06 0.00 -1.18 0.00 0.00 61.69 59.13 1s1u s THR 338 Cb -0.03 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1s1u s THR 338 CO -0.00 0.20 0.11 -0.72 -0.54 0.00 0.00 174.62 173.67 1s1u s TYR 339 N -0.87 0.35 -0.13 3.99 -0.85 0.85 0.97 117.35 121.68 1s1u s TYR 339 Ca 0.09 -0.81 -0.14 0.00 -0.52 0.00 0.00 57.07 55.69 1s1u s TYR 339 Cb -0.09 -0.20 0.04 0.00 0.38 0.00 0.00 41.96 42.08 1s1u s TYR 339 CO 0.02 -0.50 0.38 1.14 -1.52 0.00 0.00 175.55 175.07 1s1u s GLN 340 N -3.91 0.48 -0.03 -3.49 0.00 -0.34 -1.05 119.66 111.32 1s1u s GLN 340 Ca 0.08 0.45 0.07 0.00 -0.00 0.00 0.00 55.36 55.96 1s1u s GLN 340 Cb 0.06 0.23 -0.02 0.00 0.00 0.00 0.00 33.01 33.28 1s1u s GLN 340 CO -0.09 -0.07 -0.24 0.42 0.00 0.00 0.00 175.29 175.31 1s1u s ILE 341 N 0.02 2.21 0.14 3.63 1.01 0.39 -0.85 121.20 127.75 1s1u s ILE 341 Ca -0.02 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 1s1u s ILE 341 Cb -0.03 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.68 1s1u s ILE 341 CO 0.01 0.58 0.39 -0.72 0.00 0.00 0.00 174.94 175.20 1s1u s TYR 342 N -0.55 -0.11 -0.17 3.97 -0.85 0.12 -1.53 117.35 118.23 1s1u s TYR 342 Ca 0.08 -0.23 0.08 0.00 -0.52 0.00 0.00 57.07 56.48 1s1u s TYR 342 Cb -0.11 0.23 -0.16 0.00 0.38 0.00 0.00 41.96 42.30 1s1u s TYR 342 CO -0.00 -0.73 -0.05 1.04 -1.52 0.00 0.00 175.55 174.29 1s1u n GLN 343 N -0.23 1.04 -5.29 -3.49 6.02 -1.26 0.11 117.38 114.28 1s1u n GLN 343 Ca -0.14 0.05 -0.31 0.00 -0.01 0.00 0.00 57.00 56.59 1s1u n GLN 343 Cb 0.63 -1.39 -0.16 0.00 1.02 0.00 0.00 30.24 30.35 1s1u n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1s1u s GLU 344 N -2.37 2.13 -0.47 -1.09 2.02 -1.26 -4.72 118.70 112.94 1s1u s GLU 344 Ca -0.16 -0.92 -0.43 0.00 0.02 0.00 0.00 54.97 53.47 1s1u s GLU 344 Cb 0.06 -2.05 -0.19 0.00 0.10 0.00 0.00 34.13 32.05 1s1u s GLU 344 CO 0.54 0.56 1.65 -2.30 0.02 0.00 0.00 175.26 175.72 1s1u n PRO 345 N 2.44 0.00 -0.11 0.39 -0.02 -1.26 -0.54 135.00 135.91 1s1u n PRO 345 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1s1u n PRO 345 Cb 0.51 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1s1u n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1s1u n PHE 346 N 4.69 0.00 -2.77 6.00 3.01 -1.26 -4.89 117.46 122.24 1s1u n PHE 346 Ca 0.36 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.38 1s1u n PHE 346 Cb -0.05 -0.63 -0.00 0.00 -0.01 0.00 0.00 39.48 38.79 1s1u n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1s1u s LYS 347 N -0.09 3.97 0.24 -1.08 1.02 0.30 -4.98 119.74 119.13 1s1u s LYS 347 Ca 0.00 -2.18 -0.31 0.00 0.02 0.00 0.00 55.97 53.50 1s1u s LYS 347 Cb 0.00 -5.26 -0.12 0.00 -0.52 0.00 0.00 37.83 31.93 1s1u s LYS 347 CO 0.00 -2.00 1.67 -0.80 -0.92 0.00 0.00 175.35 173.30 1s1u s ASN 348 N 3.61 6.38 -0.25 2.83 0.02 -1.26 -4.08 114.94 122.19 1s1u s ASN 348 Ca 0.47 2.90 -0.17 0.00 -1.02 0.00 0.00 52.86 55.03 1s1u s ASN 348 Cb -0.00 -2.61 -0.15 0.00 0.02 0.00 0.00 41.25 38.50 1s1u s ASN 348 CO 0.02 -0.95 -0.09 0.18 0.02 0.00 0.00 177.10 176.28 1s1u n LEU 349 N 3.25 1.92 -3.65 0.60 7.99 -0.58 0.01 117.00 126.54 1s1u n LEU 349 Ca 0.13 0.37 -0.13 0.00 -0.01 0.00 0.00 56.01 56.37 1s1u n LEU 349 Cb 0.36 -0.89 -0.06 0.00 -0.11 0.00 0.00 43.42 42.72 1s1u n LEU 349 CO 0.64 0.44 0.18 -0.75 -1.51 0.00 0.00 177.39 176.39 1s1u s LYS 350 N -2.44 0.93 0.46 3.23 2.20 -1.20 -4.44 119.74 118.48 1s1u s LYS 350 Ca -0.34 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1s1u s LYS 350 Cb 0.11 0.42 -0.01 0.00 -1.51 0.00 0.00 37.83 36.83 1s1u s LYS 350 CO 0.54 -0.32 0.11 0.95 -0.36 0.00 0.00 175.35 176.27 1s1u s THR 351 N -2.34 0.64 0.00 3.43 -4.23 -0.25 -0.46 115.64 112.43 1s1u s THR 351 Ca -0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1s1u s THR 351 Cb -0.01 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1s1u s THR 351 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1s1u n GLY 352 N -1.06 1.39 3.57 3.99 0.00 -0.22 -4.37 105.19 108.49 1s1u n GLY 352 Ca -0.11 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 1s1u n GLY 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1u s LYS 353 N -2.00 1.86 -0.18 1.61 1.02 -1.26 -0.10 119.74 120.69 1s1u s LYS 353 Ca 0.00 -2.02 -0.04 0.00 0.02 0.00 0.00 55.97 53.92 1s1u s LYS 353 Cb 0.00 -1.54 0.09 0.00 -0.52 0.00 0.00 37.83 35.86 1s1u s LYS 353 CO 0.00 -0.01 0.28 -0.47 -0.92 0.00 0.00 175.35 174.23 1s1u s TYR 354 N -2.77 -0.47 0.00 3.18 6.14 0.79 -4.94 117.35 119.28 1s1u s TYR 354 Ca 0.34 0.70 0.00 0.00 0.64 0.00 0.00 57.07 58.75 1s1u s TYR 354 Cb 0.08 -0.13 0.00 0.00 0.42 0.00 0.00 41.96 42.33 1s1u s TYR 354 CO 0.17 -0.52 0.00 0.00 0.64 0.00 0.00 175.55 175.84 1s1u n ALA 355 N 5.34 1.92 -1.64 3.97 0.00 -1.26 -1.33 120.51 127.52 1s1u n ALA 355 Ca -0.05 0.00 -0.64 0.00 0.00 0.00 0.00 53.44 52.75 1s1u n ALA 355 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 1s1u n ALA 355 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s1u n ARG 356 N -1.10 0.00 -3.84 0.00 0.00 -1.26 -4.85 116.66 105.60 1s1u n ARG 356 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1s1u n ARG 356 Cb 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 32.46 30.87 1s1u n ARG 356 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1s1u s MET 357 N 2.15 2.58 -0.66 -0.14 -1.94 -1.26 -5.05 119.30 114.98 1s1u s MET 357 Ca 0.98 -1.18 -0.16 0.00 -1.71 0.00 0.00 55.69 53.62 1s1u s MET 357 Cb -1.40 -3.28 0.15 0.00 2.01 0.00 0.00 34.83 32.31 1s1u s MET 357 CO 0.73 -0.60 0.66 1.03 -0.01 0.00 0.00 175.02 176.83 1s1u s ARG 358 N 1.33 3.21 0.00 2.03 0.52 -1.26 -4.92 118.95 119.86 1s1u s ARG 358 Ca -0.03 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.36 1s1u s ARG 358 Cb -0.19 -4.37 0.00 0.00 0.52 0.00 0.00 34.95 30.91 1s1u s ARG 358 CO 0.00 -1.40 0.00 0.41 0.02 0.00 0.00 175.30 174.33 1s1u n GLY 359 N 4.92 2.84 0.17 -3.53 0.00 -1.26 -4.83 105.19 103.50 1s1u n GLY 359 Ca -0.03 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.11 1s1u n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1u h ALA 360 N 0.00 1.08 -3.58 4.61 0.00 -1.98 -3.44 119.26 115.95 1s1u h ALA 360 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 54.91 54.11 1s1u h ALA 360 Cb 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 17.79 17.48 1s1u h ALA 360 CO 0.00 0.58 -0.77 -1.01 0.00 0.00 0.00 179.25 178.04 1s1u s HIS 361 N -3.75 0.98 0.38 0.00 3.76 -1.26 -2.68 115.29 112.71 1s1u s HIS 361 Ca -0.01 -0.37 -0.10 0.00 -0.15 0.00 0.00 55.06 54.43 1s1u s HIS 361 Cb 0.12 -0.58 0.04 0.00 1.11 0.00 0.00 32.58 33.27 1s1u s HIS 361 CO 0.72 0.00 0.68 0.25 -0.85 0.00 0.00 174.74 175.54 1s1u n THR 362 N 1.85 0.00 -4.22 1.30 -2.24 -0.85 -5.00 114.28 105.12 1s1u n THR 362 Ca -0.19 -1.28 -0.13 0.00 -2.27 0.00 0.00 64.05 60.18 1s1u n THR 362 Cb 0.55 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 1s1u n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s1u s ASN 363 N -3.11 1.41 0.25 3.42 2.20 -1.26 -0.82 114.94 117.02 1s1u s ASN 363 Ca 0.21 -1.05 -0.04 0.00 -0.94 0.00 0.00 52.86 51.04 1s1u s ASN 363 Cb -0.04 0.06 0.39 0.00 -2.00 0.00 0.00 41.25 39.66 1s1u s ASN 363 CO 0.15 -0.44 1.84 0.44 -2.94 0.00 0.00 177.10 176.15 1s1u h ASP 364 N 2.84 0.81 0.02 3.54 3.45 -1.95 0.30 116.42 125.43 1s1u h ASP 364 Ca -0.36 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.13 1s1u h ASP 364 Cb 1.18 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 1s1u h ASP 364 CO 0.64 0.49 -0.04 0.58 -1.57 0.00 0.00 179.24 179.34 1s1u h VAL 365 N 0.93 0.89 -0.15 -1.35 2.07 -1.95 3.51 116.25 120.21 1s1u h VAL 365 Ca 0.40 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.92 1s1u h VAL 365 Cb 0.27 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1s1u h VAL 365 CO -0.21 0.00 0.07 0.50 0.02 0.00 0.00 177.57 177.95 1s1u h LYS 366 N -0.09 0.22 0.06 1.57 3.64 -1.85 0.78 116.57 120.90 1s1u h LYS 366 Ca 0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1s1u h LYS 366 Cb 0.10 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1s1u h LYS 366 CO -0.03 0.28 -0.03 0.37 -2.27 0.00 0.00 179.45 177.78 1s1u h GLN 367 N 0.10 -0.07 -0.24 1.90 4.15 0.07 -0.75 115.11 120.26 1s1u h GLN 367 Ca 0.05 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.54 1s1u h GLN 367 Cb 0.14 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.78 1s1u h GLN 367 CO -0.01 -0.01 -0.20 1.25 -1.93 0.00 0.00 178.83 177.93 1s1u h LEU 368 N -0.11 -0.66 -0.52 -2.39 7.12 0.67 -1.46 115.31 117.96 1s1u h LEU 368 Ca -0.01 0.13 0.10 0.00 0.13 0.00 0.00 57.88 58.23 1s1u h LEU 368 Cb 0.09 0.32 -0.08 0.00 -0.53 0.00 0.00 40.66 40.46 1s1u h LEU 368 CO 0.01 -0.24 0.02 0.74 -0.13 0.00 0.00 178.44 178.84 1s1u h THR 369 N -0.20 0.61 -0.51 1.05 2.02 -0.42 0.62 112.91 116.07 1s1u h THR 369 Ca 0.14 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.35 1s1u h THR 369 Cb 0.41 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1s1u h THR 369 CO -0.36 0.03 0.34 -0.33 0.37 0.00 0.00 175.52 175.57 1s1u h GLU 370 N 0.14 0.34 -0.20 6.66 5.08 -0.14 -0.37 114.58 126.08 1s1u h GLU 370 Ca 0.27 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1s1u h GLU 370 Cb 0.40 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1s1u h GLU 370 CO -0.42 0.22 -0.17 0.00 -1.00 0.00 0.00 179.01 177.64 1s1u h ALA 371 N 1.74 0.29 -0.77 3.43 0.00 -0.10 -1.57 119.26 122.28 1s1u h ALA 371 Ca 0.23 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1s1u h ALA 371 Cb 0.46 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1s1u h ALA 371 CO -0.06 0.20 0.37 0.28 0.00 0.00 0.00 179.25 180.05 1s1u h VAL 372 N 0.15 0.75 0.03 0.00 2.07 -0.27 -0.74 116.25 118.24 1s1u h VAL 372 Ca 0.04 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1s1u h VAL 372 Cb 0.71 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1s1u h VAL 372 CO 0.04 0.10 -0.05 -0.61 0.02 0.00 0.00 177.57 177.08 1s1u h GLN 373 N 0.57 -0.09 -0.39 1.57 5.75 -0.89 0.09 115.11 121.71 1s1u h GLN 373 Ca 0.41 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 59.00 1s1u h GLN 373 Cb 0.54 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 29.02 1s1u h GLN 373 CO -0.34 -0.06 -0.27 -0.22 -2.65 0.00 0.00 178.83 175.29 1s1u h LYS 374 N -0.10 -0.20 -0.10 1.69 3.11 -0.18 -0.85 116.57 119.95 1s1u h LYS 374 Ca 0.01 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.90 1s1u h LYS 374 Cb 0.11 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.33 1s1u h LYS 374 CO -0.03 -0.13 -0.19 0.82 -2.81 0.00 0.00 179.45 177.11 1s1u h ILE 375 N -0.20 0.53 -0.18 2.00 2.04 -0.71 -1.78 117.51 119.21 1s1u h ILE 375 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 1s1u h ILE 375 Cb 0.49 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 1s1u h ILE 375 CO -0.50 0.00 -0.32 0.74 0.00 0.00 0.00 178.15 178.06 1s1u h THR 376 N -0.25 0.28 -0.24 -0.27 2.02 0.03 -0.08 112.91 114.41 1s1u h THR 376 Ca 0.09 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1s1u h THR 376 Cb 0.38 0.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 1s1u h THR 376 CO -0.25 0.00 -0.44 0.74 0.37 0.00 0.00 175.52 175.94 1s1u h THR 377 N -0.37 0.00 -0.74 3.16 2.02 -0.81 -1.18 112.91 114.99 1s1u h THR 377 Ca 0.11 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.39 1s1u h THR 377 Cb 0.54 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.83 1s1u h THR 377 CO -0.38 0.00 -0.43 -0.33 0.37 0.00 0.00 175.52 174.75 1s1u h GLU 378 N -0.38 -0.13 -0.20 6.66 5.08 -0.56 -2.02 114.58 123.03 1s1u h GLU 378 Ca 0.04 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1s1u h GLU 378 Cb 0.50 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1s1u h GLU 378 CO -0.42 -0.09 -0.47 0.77 -1.00 0.00 0.00 179.01 177.80 1s1u h SER 379 N -0.14 -1.51 -1.02 1.42 0.02 -0.12 0.22 113.55 112.42 1s1u h SER 379 Ca 0.23 0.20 0.26 0.00 -0.84 0.00 0.00 61.79 61.63 1s1u h SER 379 Cb 0.55 0.61 -0.09 0.00 0.14 0.00 0.00 62.40 63.62 1s1u h SER 379 CO -0.79 -0.44 0.66 0.40 -1.14 0.00 0.00 176.83 175.52 1s1u h ILE 380 N -0.49 0.55 -0.02 3.27 2.04 -0.58 0.77 117.51 123.05 1s1u h ILE 380 Ca 0.07 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 1s1u h ILE 380 Cb 0.64 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1s1u h ILE 380 CO -0.46 0.07 -0.35 0.58 0.00 0.00 0.00 178.15 178.00 1s1u h VAL 381 N 0.40 1.48 0.17 1.67 2.07 -0.07 0.53 116.25 122.50 1s1u h VAL 381 Ca 0.58 -1.90 -0.31 0.00 0.82 0.00 0.00 66.70 65.89 1s1u h VAL 381 Cb 1.45 2.58 0.03 0.00 -1.52 0.00 0.00 31.29 33.83 1s1u h VAL 381 CO -0.28 0.53 -1.33 0.40 0.02 0.00 0.00 177.57 176.91 1s1u h ILE 382 N -0.30 1.32 -0.02 4.57 2.04 0.46 -3.38 117.51 122.20 1s1u h ILE 382 Ca -0.04 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1s1u h ILE 382 Cb 1.06 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 1s1u h ILE 382 CO 0.07 0.79 0.00 0.79 0.00 0.00 0.00 178.15 179.80 1s1u n TRP 383 N -3.72 0.03 -1.23 1.37 8.01 0.26 -4.67 117.44 117.48 1s1u n TRP 383 Ca -0.14 -0.29 -0.10 0.00 -1.31 0.00 0.00 57.50 55.66 1s1u n TRP 383 Cb 1.04 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.31 30.26 1s1u n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1s1u n GLY 384 N -0.21 1.00 3.16 6.99 0.00 0.19 -4.90 105.19 111.42 1s1u n GLY 384 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1s1u n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1u s LYS 385 N -2.74 0.77 0.02 1.61 2.20 -1.25 -4.86 119.74 115.49 1s1u s LYS 385 Ca 0.00 -1.16 0.04 0.00 -0.36 0.00 0.00 55.97 54.50 1s1u s LYS 385 Cb 0.00 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 1s1u s LYS 385 CO 0.00 -0.21 -0.09 0.95 -0.36 0.00 0.00 175.35 175.64 1s1u s THR 386 N -3.92 3.45 0.57 3.43 -4.23 -1.26 -2.51 115.64 111.17 1s1u s THR 386 Ca 0.09 -0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 59.60 1s1u s THR 386 Cb 0.07 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1s1u s THR 386 CO -0.08 0.35 0.93 -2.16 -0.54 0.00 0.00 174.62 173.11 1s1u s PRO 387 N -1.52 3.46 -0.13 3.99 0.04 -1.26 -4.91 135.00 134.66 1s1u s PRO 387 Ca 0.17 0.45 -0.23 0.00 0.04 0.00 0.00 61.00 61.43 1s1u s PRO 387 Cb -0.11 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1s1u s PRO 387 CO 0.08 -0.48 0.71 0.15 0.04 0.00 0.00 177.00 177.50 1s1u s LYS 388 N -5.01 4.33 0.20 4.56 1.02 -0.95 -4.76 119.74 119.14 1s1u s LYS 388 Ca 0.52 0.83 -0.07 0.00 0.02 0.00 0.00 55.97 57.27 1s1u s LYS 388 Cb -0.11 -3.52 -0.06 0.00 -0.52 0.00 0.00 37.83 33.62 1s1u s LYS 388 CO 0.49 -0.12 0.48 -0.06 -0.92 0.00 0.00 175.35 175.22 1s1u s PHE 389 N 1.46 3.45 -0.25 3.18 0.40 -0.54 -1.78 117.98 123.90 1s1u s PHE 389 Ca 0.35 0.71 -0.03 0.00 -0.60 0.00 0.00 56.93 57.36 1s1u s PHE 389 Cb -0.17 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.24 1s1u s PHE 389 CO 0.14 0.33 -0.03 0.15 0.70 0.00 0.00 175.22 176.51 1s1u s LYS 390 N -2.84 3.02 -0.03 0.44 -0.14 -0.03 0.74 119.74 120.91 1s1u s LYS 390 Ca 0.44 -0.86 0.04 0.00 -1.36 0.00 0.00 55.97 54.23 1s1u s LYS 390 Cb -0.11 -3.06 -0.00 0.00 -1.68 0.00 0.00 37.83 32.97 1s1u s LYS 390 CO 0.24 -0.36 -0.15 -0.51 -0.76 0.00 0.00 175.35 173.81 1s1u s LEU 391 N 1.40 1.90 -1.23 3.17 1.43 0.16 -2.91 118.68 122.60 1s1u s LEU 391 Ca 0.02 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1s1u s LEU 391 Cb -0.16 -0.84 -0.13 0.00 0.03 0.00 0.00 46.19 45.10 1s1u s LEU 391 CO -0.03 0.14 3.04 -0.81 0.23 0.00 0.00 176.35 178.92 1s1u n PRO 392 N 3.10 3.22 -3.56 1.29 -0.04 -1.26 -0.79 135.00 136.96 1s1u n PRO 392 Ca -0.17 -1.89 -0.15 0.00 -0.04 0.00 0.00 63.50 61.25 1s1u n PRO 392 Cb 0.54 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 1s1u n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1s1u s ILE 393 N 2.00 0.00 -0.08 0.52 2.07 -1.26 -0.13 121.20 124.33 1s1u s ILE 393 Ca 0.67 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.87 1s1u s ILE 393 Cb 0.20 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.76 1s1u s ILE 393 CO -0.05 0.00 0.10 0.00 -1.91 0.00 0.00 174.94 173.08 1s1u s GLN 394 N -0.76 3.26 0.19 3.50 -2.07 -1.26 -4.62 119.66 117.91 1s1u s GLN 394 Ca -0.05 -0.28 -0.13 0.00 -1.82 0.00 0.00 55.36 53.07 1s1u s GLN 394 Cb -0.01 -3.02 0.23 0.00 -1.09 0.00 0.00 33.01 29.11 1s1u s GLN 394 CO 0.05 0.73 1.27 1.63 -1.32 0.00 0.00 175.29 177.64 1s1u n LYS 395 N 1.78 -0.17 -0.22 9.60 4.01 -1.26 0.15 118.16 132.05 1s1u n LYS 395 Ca -0.17 1.26 0.02 0.00 -0.51 0.00 0.00 58.31 58.91 1s1u n LYS 395 Cb 0.54 -1.87 0.13 0.00 -0.51 0.00 0.00 35.03 33.32 1s1u n LYS 395 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1s1u h GLU 396 N 0.00 0.18 0.56 1.97 4.81 -1.98 1.06 114.58 121.18 1s1u h GLU 396 Ca 0.30 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1s1u h GLU 396 Cb 0.51 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1s1u h GLU 396 CO -0.82 0.12 -0.36 1.15 -0.73 0.00 0.00 179.01 178.37 1s1u h THR 397 N 0.19 0.26 0.23 0.32 2.02 0.11 0.03 112.91 116.07 1s1u h THR 397 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1s1u h THR 397 Cb 0.57 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1s1u h THR 397 CO -0.50 0.00 -0.45 -0.25 0.37 0.00 0.00 175.52 174.69 1s1u h TRP 398 N -0.88 -1.28 -0.83 3.16 7.01 0.01 -1.96 115.95 121.17 1s1u h TRP 398 Ca -0.07 0.03 0.19 0.00 2.11 0.00 0.00 58.89 61.14 1s1u h TRP 398 Cb 0.72 0.53 -0.15 0.00 -2.10 0.00 0.00 29.16 28.16 1s1u h TRP 398 CO -0.11 -0.54 -0.09 1.49 -2.79 0.00 0.00 178.44 176.39 1s1u h GLU 399 N -0.74 0.04 0.18 2.65 4.81 0.11 0.16 114.58 121.79 1s1u h GLU 399 Ca -0.02 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1s1u h GLU 399 Cb 0.69 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1s1u h GLU 399 CO -0.17 0.02 -0.50 1.15 -0.73 0.00 0.00 179.01 178.78 1s1u h THR 400 N 0.04 0.00 0.11 0.32 2.02 -0.24 -1.07 112.91 114.09 1s1u h THR 400 Ca 0.44 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.63 1s1u h THR 400 Cb 0.75 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1s1u h THR 400 CO -0.80 0.00 -0.22 -0.25 0.37 0.00 0.00 175.52 174.62 1s1u h TRP 401 N -0.76 -0.58 0.00 3.16 7.01 -0.77 -3.05 115.95 120.96 1s1u h TRP 401 Ca -0.02 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1s1u h TRP 401 Cb 0.75 0.24 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1s1u h TRP 401 CO -0.41 -0.32 0.00 1.87 -2.79 0.00 0.00 178.44 176.79 1s1u n TRP 402 N -5.34 0.00 -0.11 2.65 -0.00 0.44 -1.62 117.44 113.45 1s1u n TRP 402 Ca -0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.55 1s1u n TRP 402 Cb 0.26 0.00 0.21 0.00 -0.00 0.00 0.00 31.31 31.77 1s1u n TRP 402 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1s1u n THR 403 N -0.43 -0.15 0.92 5.87 -1.04 -0.43 0.14 114.28 119.17 1s1u n THR 403 Ca 0.00 0.72 0.12 0.00 -2.04 0.00 0.00 64.05 62.85 1s1u n THR 403 Cb 0.00 -1.17 0.27 0.00 -1.82 0.00 0.00 70.33 67.61 1s1u n THR 403 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1s1u n GLU 404 N -3.82 2.15 -3.40 -2.82 0.28 -0.90 -4.92 120.64 107.20 1s1u n GLU 404 Ca 0.13 -1.70 -0.36 0.00 -0.16 0.00 0.00 57.16 55.07 1s1u n GLU 404 Cb 0.45 -1.47 -0.06 0.00 1.43 0.00 0.00 31.44 31.80 1s1u n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1s1u s TYR 405 N -1.80 3.66 0.25 -1.84 5.04 0.38 -4.98 117.35 118.06 1s1u s TYR 405 Ca 0.34 1.05 0.22 0.00 -2.44 0.00 0.00 57.07 56.23 1s1u s TYR 405 Cb 0.21 -2.35 0.95 0.00 0.35 0.00 0.00 41.96 41.12 1s1u s TYR 405 CO 0.30 0.51 1.86 0.11 -1.34 0.00 0.00 175.55 176.99 1s1u h TRP 406 N 3.97 0.00 -3.45 4.97 5.08 -1.91 -3.44 115.95 121.17 1s1u h TRP 406 Ca -0.49 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 58.94 1s1u h TRP 406 Cb 1.20 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.33 1s1u h TRP 406 CO 0.67 0.27 -0.10 -1.14 -1.28 0.00 0.00 178.44 176.85 1s1u s GLN 407 N -3.85 3.82 0.24 0.12 0.74 -1.26 -5.06 119.66 114.41 1s1u s GLN 407 Ca -0.01 0.30 -0.21 0.00 0.05 0.00 0.00 55.36 55.49 1s1u s GLN 407 Cb 0.12 -2.65 -0.09 0.00 1.10 0.00 0.00 33.01 31.50 1s1u s GLN 407 CO 0.65 0.32 0.78 0.00 -0.55 0.00 0.00 175.29 176.48 1s1u s ALA 408 N -1.81 3.37 0.18 1.58 0.00 -1.26 -5.05 121.76 118.76 1s1u s ALA 408 Ca 0.47 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 1s1u s ALA 408 Cb -0.11 -2.91 -0.00 0.00 0.00 0.00 0.00 23.12 20.10 1s1u s ALA 408 CO 0.21 0.29 0.35 -0.08 0.00 0.00 0.00 175.76 176.53 1s1u s THR 409 N -1.53 0.05 -0.26 0.00 -1.32 -1.26 -5.18 115.64 106.14 1s1u s THR 409 Ca 0.44 -1.26 -0.17 0.00 -1.21 0.00 0.00 61.69 59.49 1s1u s THR 409 Cb -0.17 -1.81 0.07 0.00 -1.51 0.00 0.00 72.50 69.08 1s1u s THR 409 CO 0.22 -0.24 0.66 0.86 -2.21 0.00 0.00 174.62 173.92 1s1u s TRP 410 N -3.95 -0.95 -0.07 9.09 -0.00 -1.26 -5.14 118.94 116.66 1s1u s TRP 410 Ca 0.16 1.99 0.04 0.00 -0.00 0.00 0.00 56.10 58.29 1s1u s TRP 410 Cb 0.02 0.52 0.00 0.00 -0.00 0.00 0.00 33.47 34.01 1s1u s TRP 410 CO 0.00 -0.47 -0.18 0.42 -0.00 0.00 0.00 176.95 176.71 1s1u s ILE 411 N 1.32 1.56 0.00 5.86 1.01 -1.26 -4.98 121.20 124.71 1s1u s ILE 411 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1s1u s ILE 411 Cb -0.05 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.06 1s1u s ILE 411 CO -0.14 0.45 0.00 -2.65 0.00 0.00 0.00 174.94 172.59 1s1u n PRO 412 N 3.42 -0.06 -1.71 2.79 -0.02 -1.26 -4.85 135.00 133.31 1s1u n PRO 412 Ca -0.20 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.86 1s1u n PRO 412 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.98 1s1u n PRO 412 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1s1u s GLU 413 N -1.11 3.99 0.02 -0.52 2.02 -1.26 -4.95 118.70 116.89 1s1u s GLU 413 Ca 0.00 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.45 1s1u s GLU 413 Cb 0.00 -4.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.04 1s1u s GLU 413 CO 0.00 -1.12 -0.03 1.67 0.02 0.00 0.00 175.26 175.80 1s1u s TRP 414 N 4.99 0.29 -0.10 1.61 1.48 -1.26 -1.47 118.94 124.48 1s1u s TRP 414 Ca 0.88 -0.41 0.03 0.00 -1.06 0.00 0.00 56.10 55.55 1s1u s TRP 414 Cb -0.40 -0.20 -0.00 0.00 -1.16 0.00 0.00 33.47 31.71 1s1u s TRP 414 CO 0.39 -0.13 -0.22 -2.00 -4.06 0.00 0.00 176.95 170.93 1s1u s GLU 415 N -1.14 3.08 0.20 3.25 2.12 0.23 -4.94 118.70 121.48 1s1u s GLU 415 Ca -0.11 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.07 1s1u s GLU 415 Cb -0.08 -2.35 -0.09 0.00 0.26 0.00 0.00 34.13 31.87 1s1u s GLU 415 CO -0.01 0.20 1.34 0.12 -0.54 0.00 0.00 175.26 176.38 1s1u s PHE 416 N 0.30 3.21 -0.11 5.30 5.36 -1.26 0.37 117.98 131.15 1s1u s PHE 416 Ca -0.16 1.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.99 1s1u s PHE 416 Cb -0.17 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 1s1u s PHE 416 CO 0.08 -2.10 -0.23 0.54 -1.46 0.00 0.00 175.22 172.06 1s1u s VAL 417 N 0.22 1.99 -1.21 3.12 0.11 0.03 -4.78 120.40 119.87 1s1u s VAL 417 Ca 0.58 -0.97 -0.17 0.00 -2.93 0.00 0.00 61.98 58.49 1s1u s VAL 417 Cb -0.38 -1.74 0.10 0.00 -1.53 0.00 0.00 36.38 32.84 1s1u s VAL 417 CO 0.38 0.54 1.57 0.21 -3.33 0.00 0.00 175.10 174.47 1s1u s ASN 418 N 0.51 6.85 -0.45 3.54 3.84 -1.26 -4.06 114.94 123.91 1s1u s ASN 418 Ca -0.15 -2.46 0.02 0.00 0.21 0.00 0.00 52.86 50.49 1s1u s ASN 418 Cb -0.17 -2.51 0.14 0.00 -0.55 0.00 0.00 41.25 38.16 1s1u s ASN 418 CO 0.05 -1.08 0.26 -0.89 -2.79 0.00 0.00 177.10 172.65 1s1u s THR 419 N 3.42 1.41 0.77 -5.21 2.01 -1.26 -5.11 115.64 111.67 1s1u s THR 419 Ca 0.48 -2.64 -0.16 0.00 0.31 0.00 0.00 61.69 59.68 1s1u s THR 419 Cb 0.01 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 1s1u s THR 419 CO 0.02 -0.92 0.32 -2.65 -0.69 0.00 0.00 174.62 170.70 1s1u n PRO 420 N 3.42 0.14 -2.64 4.92 -0.02 -1.26 -4.36 135.00 135.20 1s1u n PRO 420 Ca 0.10 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 1s1u n PRO 420 Cb 0.35 -1.68 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 1s1u n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s1u s PRO 421 N -2.68 4.61 0.34 0.52 0.04 -1.26 -4.99 135.00 131.58 1s1u s PRO 421 Ca 0.61 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 1s1u s PRO 421 Cb -0.32 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.75 1s1u s PRO 421 CO 0.63 0.07 0.80 -0.51 0.04 0.00 0.00 177.00 178.03 1s1u s LEU 422 N 0.30 4.07 -0.12 -3.56 1.43 -1.26 -4.72 118.68 114.82 1s1u s LEU 422 Ca 0.50 1.43 -0.16 0.00 -1.03 0.00 0.00 54.13 54.87 1s1u s LEU 422 Cb -0.25 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 1s1u s LEU 422 CO 0.30 -0.22 0.41 0.68 0.23 0.00 0.00 176.35 177.76 1s1u s VAL 423 N -1.97 5.21 0.31 -1.59 -7.23 0.82 -5.00 120.40 110.94 1s1u s VAL 423 Ca 0.55 0.81 0.04 0.00 -1.81 0.00 0.00 61.98 61.57 1s1u s VAL 423 Cb -0.11 -3.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 1s1u s VAL 423 CO 0.17 0.38 0.28 -1.59 -0.31 0.00 0.00 175.10 174.02 1s1u s LYS 424 N 0.38 1.68 -0.24 4.82 0.00 -1.26 -4.55 119.74 120.56 1s1u s LYS 424 Ca 0.23 -1.91 -0.10 0.00 0.00 0.00 0.00 55.97 54.19 1s1u s LYS 424 Cb -0.15 0.33 -0.04 0.00 0.00 0.00 0.00 37.83 37.97 1s1u s LYS 424 CO 0.09 -0.62 0.14 -0.51 0.00 0.00 0.00 175.35 174.44 1s1u s LEU 425 N -3.31 3.91 0.00 2.77 1.43 -1.26 -4.83 118.68 117.39 1s1u s LEU 425 Ca 0.39 0.01 0.27 0.00 -1.03 0.00 0.00 54.13 53.77 1s1u s LEU 425 Cb 0.03 -2.05 1.31 0.00 0.03 0.00 0.00 46.19 45.50 1s1u s LEU 425 CO 0.24 0.03 1.91 0.79 0.23 0.00 0.00 176.35 179.55 1s1u n TRP 426 N 4.52 0.00 -3.59 0.29 7.02 -1.26 -4.90 117.44 119.52 1s1u n TRP 426 Ca -0.15 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.28 1s1u n TRP 426 Cb 0.52 -0.35 -0.02 0.00 -2.42 0.00 0.00 31.31 29.03 1s1u n TRP 426 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 1s1u s TYR 427 N -2.71 -0.14 -0.04 -5.99 1.13 -1.26 -4.55 117.35 103.79 1s1u s TYR 427 Ca 0.22 0.10 -0.01 0.00 -1.41 0.00 0.00 57.07 55.96 1s1u s TYR 427 Cb 0.18 0.51 0.03 0.00 -1.10 0.00 0.00 41.96 41.59 1s1u s TYR 427 CO 0.44 -0.21 0.07 -0.65 -2.51 0.00 0.00 175.55 172.69 1s1u s GLN 428 N -2.36 -0.01 0.18 -3.49 -0.21 -1.26 -5.04 119.66 107.47 1s1u s GLN 428 Ca 0.09 0.30 -0.30 0.00 0.02 0.00 0.00 55.36 55.47 1s1u s GLN 428 Cb -0.01 -0.29 -0.09 0.00 1.00 0.00 0.00 33.01 33.62 1s1u s GLN 428 CO -0.05 -0.21 1.33 -0.51 -2.12 0.00 0.00 175.29 173.73 1s1u s LEU 429 N 1.43 4.41 0.71 2.90 1.43 -1.26 -4.58 118.68 123.71 1s1u s LEU 429 Ca -0.05 2.40 -0.16 0.00 -1.03 0.00 0.00 54.13 55.28 1s1u s LEU 429 Cb -0.12 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.51 1s1u s LEU 429 CO -0.04 -0.56 1.16 -0.62 0.23 0.00 0.00 176.35 176.52 1s1u n GLU 430 N 2.87 0.70 -0.09 1.70 -0.58 0.22 -4.89 120.64 120.57 1s1u n GLU 430 Ca 0.07 0.30 0.12 0.00 -0.42 0.00 0.00 57.16 57.23 1s1u n GLU 430 Cb 0.43 -2.40 0.30 0.00 -0.57 0.00 0.00 31.44 29.20 1s1u n GLU 430 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1s1u n LYS 431 N -2.20 2.06 -3.53 3.49 5.02 -1.26 -4.70 118.16 117.03 1s1u n LYS 431 Ca 0.14 -1.57 -0.13 0.00 -2.02 0.00 0.00 58.31 54.73 1s1u n LYS 431 Cb 0.49 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1s1u n LYS 431 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1s1u s GLU 432 N -1.78 1.12 0.38 1.97 -1.05 -1.26 -5.14 118.70 112.94 1s1u s GLU 432 Ca 0.34 -0.38 -0.27 0.00 -0.15 0.00 0.00 54.97 54.51 1s1u s GLU 432 Cb 0.20 0.51 -0.11 0.00 -0.44 0.00 0.00 34.13 34.29 1s1u s GLU 432 CO 0.30 -0.44 1.23 -0.35 0.95 0.00 0.00 175.26 176.95 1s1u n PRO 433 N 0.05 1.92 -2.88 -4.83 -0.04 -1.26 -4.88 135.00 123.07 1s1u n PRO 433 Ca -0.17 0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 1s1u n PRO 433 Cb 0.62 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.75 1s1u n PRO 433 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1s1u s ILE 434 N -1.15 4.76 0.11 0.52 1.01 -1.26 -5.03 121.20 120.15 1s1u s ILE 434 Ca 0.59 1.35 -0.31 0.00 0.00 0.00 0.00 60.65 62.27 1s1u s ILE 434 Cb -0.55 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 37.66 1s1u s ILE 434 CO 0.60 -0.25 1.39 -0.69 0.00 0.00 0.00 174.94 175.99 1s1u s VAL 435 N 3.04 3.33 -0.09 2.92 1.01 -1.26 -2.63 120.40 126.72 1s1u s VAL 435 Ca 0.35 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1s1u s VAL 435 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1s1u s VAL 435 CO 0.12 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1s1u n GLY 436 N 3.50 0.45 3.70 4.51 0.00 -1.26 -5.01 105.19 111.08 1s1u n GLY 436 Ca 0.12 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1s1u n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1u s ALA 437 N -1.85 3.58 0.35 4.61 0.00 -1.08 -5.06 121.76 122.32 1s1u s ALA 437 Ca 0.00 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 50.98 1s1u s ALA 437 Cb 0.00 -2.06 -0.12 0.00 0.00 0.00 0.00 23.12 20.94 1s1u s ALA 437 CO 0.00 0.19 1.16 -1.91 0.00 0.00 0.00 175.76 175.21 1s1u n GLU 438 N 3.44 1.76 -3.66 0.00 2.13 -1.26 -4.62 120.64 118.44 1s1u n GLU 438 Ca -0.16 0.62 -0.38 0.00 0.66 0.00 0.00 57.16 57.90 1s1u n GLU 438 Cb 0.52 -2.15 -0.12 0.00 0.27 0.00 0.00 31.44 29.96 1s1u n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1s1u s THR 439 N -1.13 4.75 -0.19 6.31 2.01 -1.26 -2.43 115.64 123.70 1s1u s THR 439 Ca 0.58 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 62.33 1s1u s THR 439 Cb -0.60 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1s1u s THR 439 CO 0.60 0.19 0.06 -0.36 -0.69 0.00 0.00 174.62 174.42 1s1u s PHE 440 N 1.66 3.22 -0.26 4.92 0.40 -0.17 -2.58 117.98 125.17 1s1u s PHE 440 Ca 0.06 -0.00 -0.06 0.00 -0.60 0.00 0.00 56.93 56.33 1s1u s PHE 440 Cb -0.16 -2.09 -0.00 0.00 0.51 0.00 0.00 43.02 41.27 1s1u s PHE 440 CO 0.07 0.08 0.03 0.71 0.70 0.00 0.00 175.22 176.81 1s1u s TYR 441 N 0.53 3.07 0.19 0.36 1.51 0.32 -0.75 117.35 122.58 1s1u s TYR 441 Ca 0.03 -0.89 0.10 0.00 -1.01 0.00 0.00 57.07 55.30 1s1u s TYR 441 Cb -0.13 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 1s1u s TYR 441 CO 0.01 -0.53 -0.12 0.14 -1.11 0.00 0.00 175.55 173.94 1s1u s VAL 442 N 1.50 3.00 0.00 0.71 -7.23 -1.03 -1.10 120.40 116.26 1s1u s VAL 442 Ca 0.04 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1s1u s VAL 442 Cb -0.16 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1s1u s VAL 442 CO 0.00 -0.15 0.00 0.47 -0.31 0.00 0.00 175.10 175.12 1s1u n ASP 443 N -0.02 0.00 -3.23 4.85 9.92 -1.26 -4.53 116.55 122.28 1s1u n ASP 443 Ca -0.10 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.93 1s1u n ASP 443 Cb 0.56 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.02 1s1u n ASP 443 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s1u n ALA 455 N -0.83 3.94 -3.61 2.24 0.00 -1.26 -4.84 120.51 116.15 1s1u n ALA 455 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.50 1s1u n ALA 455 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 19.45 16.40 1s1u n ALA 455 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1s1u s GLY 456 N 3.92 -0.38 0.21 0.00 0.00 -1.26 -1.13 107.32 108.68 1s1u s GLY 456 Ca 0.37 1.02 -0.05 0.00 0.00 0.00 0.00 44.72 46.07 1s1u s GLY 456 CO 0.00 0.26 0.24 -2.52 0.00 0.00 0.00 173.10 171.08 1s1u s TYR 457 N -2.36 0.87 -0.06 1.90 -0.85 -0.97 -4.35 117.35 111.53 1s1u s TYR 457 Ca 0.13 -1.15 -0.09 0.00 -0.52 0.00 0.00 57.07 55.45 1s1u s TYR 457 Cb 0.03 -0.30 0.02 0.00 0.38 0.00 0.00 41.96 42.09 1s1u s TYR 457 CO -0.04 -0.75 0.23 0.08 -1.52 0.00 0.00 175.55 173.54 1s1u s VAL 458 N -4.10 0.02 0.42 -3.49 1.01 -0.26 -3.06 120.40 110.94 1s1u s VAL 458 Ca 0.32 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.18 1s1u s VAL 458 Cb 0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.97 1s1u s VAL 458 CO 0.10 -0.10 0.03 0.42 0.00 0.00 0.00 175.10 175.55 1s1u s THR 459 N -0.33 1.95 -0.04 3.92 -4.23 0.49 -0.52 115.64 116.87 1s1u s THR 459 Ca -0.04 -1.97 0.31 0.00 -1.18 0.00 0.00 61.69 58.81 1s1u s THR 459 Cb -0.03 -2.91 0.35 0.00 1.34 0.00 0.00 72.50 71.24 1s1u s THR 459 CO 0.01 0.00 1.92 -0.55 -0.54 0.00 0.00 174.62 175.46 1s1u h ASN 460 N 1.69 0.00 -0.54 3.99 -1.07 -1.83 -2.64 115.58 115.18 1s1u h ASN 460 Ca -0.44 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 55.85 1s1u h ASN 460 Cb 1.25 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.45 1s1u h ASN 460 CO 0.79 0.00 0.10 0.54 0.07 0.00 0.00 177.43 178.93 1s1u n ARG 461 N -2.82 3.83 0.00 4.14 1.74 -1.26 -4.92 116.66 117.36 1s1u n ARG 461 Ca 0.01 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 1s1u n ARG 461 Cb 0.26 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 1s1u n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1u n GLY 462 N 0.26 2.82 3.68 -0.13 0.00 -0.99 -5.00 105.19 105.82 1s1u n GLY 462 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1s1u n GLY 462 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s1u n ARG 463 N -1.06 1.31 -3.55 1.61 0.63 -1.26 -4.64 116.66 109.70 1s1u n ARG 463 Ca 0.00 0.49 -0.08 0.00 -0.92 0.00 0.00 57.85 57.34 1s1u n ARG 463 Cb 0.00 -2.35 -0.02 0.00 0.45 0.00 0.00 32.46 30.54 1s1u n ARG 463 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1s1u s GLN 464 N -2.76 0.92 -0.30 -0.14 -2.07 -1.26 -0.38 119.66 113.67 1s1u s GLN 464 Ca 0.73 -0.38 -0.11 0.00 -1.82 0.00 0.00 55.36 53.78 1s1u s GLN 464 Cb -0.43 0.39 0.15 0.00 -1.09 0.00 0.00 33.01 32.03 1s1u s GLN 464 CO 0.49 -0.41 0.77 0.15 -1.32 0.00 0.00 175.29 174.97 1s1u s LYS 465 N -3.18 0.47 -0.48 9.60 1.02 -1.17 -4.99 119.74 120.99 1s1u s LYS 465 Ca 0.06 1.11 -0.05 0.00 0.02 0.00 0.00 55.97 57.12 1s1u s LYS 465 Cb -0.01 0.66 0.13 0.00 -0.52 0.00 0.00 37.83 38.09 1s1u s LYS 465 CO -0.07 -0.22 0.31 0.08 -0.92 0.00 0.00 175.35 174.53 1s1u s VAL 466 N 2.76 3.69 0.86 3.17 1.01 -1.26 -2.28 120.40 128.34 1s1u s VAL 466 Ca -0.01 -2.20 -0.12 0.00 0.00 0.00 0.00 61.98 59.66 1s1u s VAL 466 Cb -0.10 -3.47 0.14 0.00 0.00 0.00 0.00 36.38 32.95 1s1u s VAL 466 CO -0.18 -0.77 1.20 0.68 0.00 0.00 0.00 175.10 176.03 1s1u s VAL 467 N 0.91 2.06 -0.19 2.92 -7.23 -0.28 -4.98 120.40 113.60 1s1u s VAL 467 Ca 0.10 -0.12 -0.03 0.00 -1.81 0.00 0.00 61.98 60.12 1s1u s VAL 467 Cb -0.23 -2.94 -0.01 0.00 0.56 0.00 0.00 36.38 33.76 1s1u s VAL 467 CO -0.03 0.00 -0.08 0.42 -0.31 0.00 0.00 175.10 175.10 1s1u s THR 468 N -3.63 3.23 -0.06 5.32 -4.23 -1.26 -4.86 115.64 110.15 1s1u s THR 468 Ca 0.68 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 1s1u s THR 468 Cb -0.07 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.36 1s1u s THR 468 CO 0.50 0.46 -0.13 -0.76 -0.54 0.00 0.00 174.62 174.15 1s1u s LEU 469 N 1.10 1.69 0.15 4.79 1.02 -1.26 -5.15 118.68 121.02 1s1u s LEU 469 Ca 0.01 -0.31 0.10 0.00 0.02 0.00 0.00 54.13 53.95 1s1u s LEU 469 Cb -0.15 -0.85 -0.04 0.00 0.02 0.00 0.00 46.19 45.18 1s1u s LEU 469 CO -0.01 0.05 -0.18 0.42 0.02 0.00 0.00 176.35 176.64 1s1u s THR 470 N 0.58 2.75 -1.98 5.49 -4.23 -1.26 -4.65 115.64 112.35 1s1u s THR 470 Ca -0.13 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1s1u s THR 470 Cb -0.15 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1s1u s THR 470 CO 0.04 -0.01 0.00 0.47 -0.54 0.00 0.00 174.62 174.58 1s1u n ASP 471 N 0.49 -5.39 -4.72 3.99 9.92 -1.26 -4.96 116.55 114.62 1s1u n ASP 471 Ca -0.14 0.33 -0.36 0.00 -0.53 0.00 0.00 54.79 54.09 1s1u n ASP 471 Cb 0.54 -4.68 -0.08 0.00 -0.64 0.00 0.00 41.12 36.26 1s1u n ASP 471 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1s1u s THR 472 N -2.79 5.33 0.56 -3.53 -1.32 -1.26 -5.10 115.64 107.53 1s1u s THR 472 Ca 0.00 0.44 -0.15 0.00 -1.21 0.00 0.00 61.69 60.77 1s1u s THR 472 Cb 0.00 -3.59 -0.05 0.00 -1.51 0.00 0.00 72.50 67.35 1s1u s THR 472 CO 0.00 0.38 1.02 0.42 -2.21 0.00 0.00 174.62 174.23 1s1u s THR 473 N 0.58 4.24 0.14 5.08 -4.23 -1.26 -4.80 115.64 115.40 1s1u s THR 473 Ca 0.14 1.02 -0.32 0.00 -1.18 0.00 0.00 61.69 61.36 1s1u s THR 473 Cb -0.13 -3.59 -0.08 0.00 1.34 0.00 0.00 72.50 70.05 1s1u s THR 473 CO 0.03 -0.67 1.55 0.78 -0.54 0.00 0.00 174.62 175.77 1s1u h ASN 474 N 0.55 -1.90 -0.90 3.99 2.35 -1.99 0.31 115.58 117.98 1s1u h ASN 474 Ca -0.46 0.27 0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1s1u h ASN 474 Cb 1.20 0.80 -0.07 0.00 0.05 0.00 0.00 38.32 40.30 1s1u h ASN 474 CO 0.60 -0.35 0.58 1.56 -1.65 0.00 0.00 177.43 178.16 1s1u h GLN 475 N -0.28 0.77 0.00 0.81 4.20 -2.02 -1.36 115.11 117.24 1s1u h GLN 475 Ca 0.11 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1s1u h GLN 475 Cb 0.55 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1s1u h GLN 475 CO -0.69 0.51 -0.45 -0.22 -0.67 0.00 0.00 178.83 177.31 1s1u h LYS 476 N 0.80 0.00 -0.28 1.46 3.11 -0.99 -3.18 116.57 117.48 1s1u h LYS 476 Ca 0.44 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 58.12 1s1u h LYS 476 Cb 0.58 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.81 1s1u h LYS 476 CO -0.21 0.45 -0.48 1.15 -2.81 0.00 0.00 179.45 177.55 1s1u h THR 477 N 0.00 1.29 -0.06 1.00 2.02 0.60 -2.93 112.91 114.84 1s1u h THR 477 Ca -0.00 -1.68 -0.00 0.00 0.77 0.00 0.00 66.41 65.49 1s1u h THR 477 Cb 1.00 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1s1u h THR 477 CO 0.06 0.54 0.03 -0.33 0.37 0.00 0.00 175.52 176.19 1s1u h GLU 478 N 0.61 0.08 -0.88 6.66 5.08 -1.50 -2.95 114.58 121.67 1s1u h GLU 478 Ca 0.03 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1s1u h GLU 478 Cb 1.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 1s1u h GLU 478 CO 0.10 0.19 0.58 -0.07 -1.00 0.00 0.00 179.01 178.81 1s1u h LEU 479 N -0.04 0.98 0.06 1.33 4.07 -1.59 -2.99 115.31 117.12 1s1u h LEU 479 Ca 0.02 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1s1u h LEU 479 Cb 0.13 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 1s1u h LEU 479 CO -0.00 0.69 -0.44 1.56 -1.08 0.00 0.00 178.44 179.17 1s1u h GLN 480 N 1.15 -0.61 -0.48 1.13 1.08 -1.35 0.67 115.11 116.70 1s1u h GLN 480 Ca 0.34 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.67 1s1u h GLN 480 Cb -0.05 0.14 -0.10 0.00 -0.05 0.00 0.00 27.48 27.42 1s1u h GLN 480 CO -0.09 -0.40 -0.29 0.00 -0.95 0.00 0.00 178.83 177.10 1s1u h ALA 481 N -0.16 -0.03 -0.90 3.87 0.00 -1.39 0.26 119.26 120.92 1s1u h ALA 481 Ca 0.03 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1s1u h ALA 481 Cb 0.68 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1s1u h ALA 481 CO -0.29 -0.65 0.59 0.82 0.00 0.00 0.00 179.25 179.72 1s1u h ILE 482 N -0.18 1.19 0.22 0.00 2.04 -1.40 0.91 117.51 120.30 1s1u h ILE 482 Ca 0.21 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1s1u h ILE 482 Cb 0.52 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1s1u h ILE 482 CO -0.58 0.21 -0.18 0.22 0.00 0.00 0.00 178.15 177.82 1s1u h TYR 483 N 1.17 -0.47 -0.52 1.37 3.20 0.16 -0.78 116.97 121.10 1s1u h TYR 483 Ca 0.34 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.30 1s1u h TYR 483 Cb -0.06 0.18 -0.10 0.00 1.54 0.00 0.00 36.73 38.28 1s1u h TYR 483 CO -0.00 -0.27 -0.40 -0.07 -1.64 0.00 0.00 178.16 175.78 1s1u h LEU 484 N -0.41 -1.35 -0.42 2.82 3.38 0.63 0.21 115.31 120.17 1s1u h LEU 484 Ca -0.01 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.28 1s1u h LEU 484 Cb 0.37 0.62 -0.09 0.00 0.09 0.00 0.00 40.66 41.65 1s1u h LEU 484 CO -0.02 -0.34 -0.22 0.00 0.09 0.00 0.00 178.44 177.96 1s1u h ALA 485 N 0.68 0.07 -0.75 1.53 0.00 -0.49 -0.07 119.26 120.23 1s1u h ALA 485 Ca 0.18 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1s1u h ALA 485 Cb 0.56 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1s1u h ALA 485 CO -0.64 -0.58 0.42 -0.07 0.00 0.00 0.00 179.25 178.38 1s1u h LEU 486 N -0.14 0.61 0.28 0.00 3.38 0.13 -2.02 115.31 117.55 1s1u h LEU 486 Ca 0.20 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1s1u h LEU 486 Cb 0.46 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1s1u h LEU 486 CO -0.51 0.38 -0.21 -0.61 0.09 0.00 0.00 178.44 177.58 1s1u h GLN 487 N 0.74 -0.48 0.00 1.13 4.15 0.81 -3.18 115.11 118.29 1s1u h GLN 487 Ca 0.34 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 1s1u h GLN 487 Cb 0.26 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1s1u h GLN 487 CO -0.21 -0.32 -0.04 -0.44 -1.93 0.00 0.00 178.83 175.89 1s1u h ASP 488 N -0.50 0.00 -3.84 -0.69 3.45 -1.19 -3.46 116.42 110.19 1s1u h ASP 488 Ca -0.02 0.00 -0.44 0.00 0.43 0.00 0.00 57.03 57.00 1s1u h ASP 488 Cb 0.43 0.00 0.17 0.00 -0.56 0.00 0.00 39.33 39.37 1s1u h ASP 488 CO -0.00 0.04 0.24 -0.94 -1.57 0.00 0.00 179.24 177.01 1s1u s SER 489 N -6.22 2.21 0.00 6.45 1.04 -0.77 -5.09 113.70 111.33 1s1u s SER 489 Ca 0.07 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1s1u s SER 489 Cb 0.05 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 65.12 1s1u s SER 489 CO 0.67 -3.33 0.00 0.61 0.98 0.00 0.00 173.24 172.17 1s1u n GLY 490 N -1.85 1.24 0.00 7.32 0.00 -1.26 -4.99 105.19 105.65 1s1u n GLY 490 Ca 0.11 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.28 1s1u n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s1u n LEU 491 N 0.00 0.00 -3.81 0.99 4.32 -1.26 -4.59 117.00 112.65 1s1u n LEU 491 Ca 0.00 0.44 -0.20 0.00 -0.02 0.00 0.00 56.01 56.22 1s1u n LEU 491 Cb 0.00 -0.44 -0.17 0.00 -1.62 0.00 0.00 43.42 41.19 1s1u n LEU 491 CO 0.00 -0.20 -0.38 -1.61 -1.22 0.00 0.00 177.39 173.97 1s1u s GLU 492 N -2.87 0.54 0.02 3.23 2.02 -1.26 -0.41 118.70 119.96 1s1u s GLU 492 Ca 0.10 0.07 -0.01 0.00 0.02 0.00 0.00 54.97 55.15 1s1u s GLU 492 Cb 0.10 -0.78 -0.02 0.00 0.10 0.00 0.00 34.13 33.53 1s1u s GLU 492 CO 0.27 -0.21 -0.02 0.14 0.02 0.00 0.00 175.26 175.47 1s1u s VAL 493 N 1.49 0.10 -0.11 2.63 -7.23 -0.54 -4.23 120.40 112.51 1s1u s VAL 493 Ca -0.03 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 1s1u s VAL 493 Cb -0.13 -0.26 -0.01 0.00 0.56 0.00 0.00 36.38 36.54 1s1u s VAL 493 CO -0.03 -0.47 -0.19 0.20 -0.31 0.00 0.00 175.10 174.30 1s1u s ASN 494 N -1.40 3.53 -0.09 4.85 0.01 -1.02 -0.70 114.94 120.12 1s1u s ASN 494 Ca -0.15 -0.44 0.01 0.00 -0.71 0.00 0.00 52.86 51.57 1s1u s ASN 494 Cb -0.09 -1.43 0.02 0.00 0.41 0.00 0.00 41.25 40.15 1s1u s ASN 494 CO -0.01 0.18 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.01 1s1u s ILE 495 N 0.26 1.20 -0.20 0.60 1.01 0.17 -1.00 121.20 123.24 1s1u s ILE 495 Ca -0.13 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 1s1u s ILE 495 Cb -0.16 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1s1u s ILE 495 CO 0.07 0.38 -0.00 -0.69 0.00 0.00 0.00 174.94 174.70 1s1u s VAL 496 N 1.12 3.98 0.11 2.92 1.01 0.07 -0.74 120.40 128.87 1s1u s VAL 496 Ca -0.05 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1s1u s VAL 496 Cb -0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1s1u s VAL 496 CO -0.02 0.44 -0.06 0.28 0.00 0.00 0.00 175.10 175.74 1s1u s THR 497 N 0.91 0.71 -1.16 3.92 -1.32 0.25 -2.46 115.64 116.49 1s1u s THR 497 Ca 0.01 -1.95 0.17 0.00 -1.21 0.00 0.00 61.69 58.71 1s1u s THR 497 Cb -0.14 -1.75 -0.09 0.00 -1.51 0.00 0.00 72.50 69.01 1s1u s THR 497 CO 0.02 -0.82 0.79 -0.90 -2.21 0.00 0.00 174.62 171.50 1s1u n ASP 498 N -0.08 1.22 -4.55 8.08 5.75 -1.24 -0.34 116.55 125.40 1s1u n ASP 498 Ca -0.11 -1.11 -0.42 0.00 -0.01 0.00 0.00 54.79 53.13 1s1u n ASP 498 Cb 0.61 0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 41.41 1s1u n ASP 498 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1s1u s SER 499 N -2.25 6.36 0.31 -1.12 0.15 -1.26 -4.71 113.70 111.17 1s1u s SER 499 Ca 0.10 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.59 1s1u s SER 499 Cb 0.13 -2.51 0.49 0.00 -1.71 0.00 0.00 66.02 62.42 1s1u s SER 499 CO 0.55 -1.45 1.85 0.06 1.20 0.00 0.00 173.24 175.44 1s1u h GLN 500 N 9.54 0.68 0.01 5.44 3.07 -1.94 -2.32 115.11 129.59 1s1u h GLN 500 Ca -0.26 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.34 1s1u h GLN 500 Cb 1.06 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 28.52 1s1u h GLN 500 CO 1.17 0.66 -0.05 -0.92 0.09 0.00 0.00 178.83 179.78 1s1u h TYR 501 N 0.66 -0.14 -0.56 0.06 3.20 -1.99 0.27 116.97 118.46 1s1u h TYR 501 Ca 0.14 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.13 1s1u h TYR 501 Cb 0.32 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.54 1s1u h TYR 501 CO 0.01 -0.05 -0.10 0.00 -1.64 0.00 0.00 178.16 176.38 1s1u h ALA 502 N -1.49 0.42 -0.49 1.82 0.00 -1.92 0.22 119.26 117.83 1s1u h ALA 502 Ca -0.00 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1s1u h ALA 502 Cb 0.07 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 1s1u h ALA 502 CO -0.02 -0.43 -0.26 1.25 0.00 0.00 0.00 179.25 179.79 1s1u h LEU 503 N 0.03 -0.88 0.28 0.00 7.12 -1.16 0.17 115.31 120.86 1s1u h LEU 503 Ca 0.28 0.19 -0.01 0.00 0.13 0.00 0.00 57.88 58.46 1s1u h LEU 503 Cb 0.43 0.46 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 1s1u h LEU 503 CO -0.55 -0.27 -0.22 1.23 -0.13 0.00 0.00 178.44 178.50 1s1u h GLY 504 N -0.15 -0.84 -0.88 3.75 0.00 0.23 0.57 103.07 105.75 1s1u h GLY 504 Ca 0.22 0.36 0.14 0.00 0.00 0.00 0.00 47.33 48.05 1s1u h GLY 504 CO -0.58 -0.28 -0.33 1.39 0.00 0.00 0.00 176.54 176.74 1s1u n ILE 505 N -3.63 -0.46 -0.02 2.60 5.41 0.50 -1.49 119.36 122.28 1s1u n ILE 505 Ca -0.06 2.05 -0.17 0.00 1.00 0.00 0.00 62.75 65.57 1s1u n ILE 505 Cb 0.21 -2.72 -0.09 0.00 -0.71 0.00 0.00 39.64 36.34 1s1u n ILE 505 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1s1u h ILE 506 N 0.00 1.34 -0.27 1.39 2.04 -0.51 -3.14 117.51 118.35 1s1u h ILE 506 Ca 0.31 -1.94 0.08 0.00 1.00 0.00 0.00 64.86 64.31 1s1u h ILE 506 Cb 0.53 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1s1u h ILE 506 CO -0.87 0.59 0.31 1.56 0.00 0.00 0.00 178.15 179.74 1s1u h GLN 507 N 0.26 0.00 0.00 2.37 4.20 0.13 1.55 115.11 123.61 1s1u h GLN 507 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1s1u h GLN 507 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1s1u h GLN 507 CO 0.13 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 1s1u n ALA 508 N -2.31 2.57 -4.00 3.87 0.00 -0.84 -4.91 120.51 114.88 1s1u n ALA 508 Ca 0.04 -0.18 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 1s1u n ALA 508 Cb 0.45 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.44 1s1u n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1s1u n GLN 509 N -0.99 -0.94 -1.45 0.00 6.02 0.53 -4.88 117.38 115.67 1s1u n GLN 509 Ca 0.21 0.21 -0.32 0.00 -0.01 0.00 0.00 57.00 57.10 1s1u n GLN 509 Cb 0.10 -3.31 0.07 0.00 1.02 0.00 0.00 30.24 28.12 1s1u n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1s1u s PRO 510 N -6.96 2.48 0.00 -1.09 0.04 -1.26 -4.74 135.00 123.48 1s1u s PRO 510 Ca 0.37 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1s1u s PRO 510 Cb -0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1s1u s PRO 510 CO 0.94 -1.48 0.73 -0.40 0.04 0.00 0.00 177.00 176.83 1s1u n ASP 511 N -3.12 1.13 -3.57 6.66 5.68 -0.00 -4.94 116.55 118.39 1s1u n ASP 511 Ca 0.09 -1.52 -0.15 0.00 -0.50 0.00 0.00 54.79 52.72 1s1u n ASP 511 Cb 0.53 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.45 1s1u n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s1u s GLN 512 N -0.52 0.85 0.04 0.11 -2.07 -1.06 -5.01 119.66 112.01 1s1u s GLN 512 Ca 0.00 0.44 -0.27 0.00 -1.82 0.00 0.00 55.36 53.71 1s1u s GLN 512 Cb 0.00 0.40 0.08 0.00 -1.09 0.00 0.00 33.01 32.40 1s1u s GLN 512 CO 0.00 -0.22 0.69 0.45 -1.32 0.00 0.00 175.29 174.89 1s1u s SER 513 N -0.66 -0.57 -0.07 12.60 0.15 -1.26 -2.01 113.70 121.87 1s1u s SER 513 Ca -0.05 0.32 0.20 0.00 0.70 0.00 0.00 55.95 57.12 1s1u s SER 513 Cb -0.02 0.53 0.71 0.00 -1.71 0.00 0.00 66.02 65.53 1s1u s SER 513 CO 0.04 -0.75 1.61 1.21 1.20 0.00 0.00 173.24 176.55 1s1u n GLU 514 N 0.22 3.39 -3.42 5.44 4.07 -1.09 -4.77 120.64 124.49 1s1u n GLU 514 Ca -0.17 -2.81 -0.38 0.00 -0.06 0.00 0.00 57.16 53.74 1s1u n GLU 514 Cb 0.61 -1.79 -0.08 0.00 -0.06 0.00 0.00 31.44 30.12 1s1u n GLU 514 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1s1u s SER 515 N -0.93 6.36 0.20 4.31 0.15 -1.26 -4.97 113.70 117.56 1s1u s SER 515 Ca 0.51 0.43 -0.10 0.00 0.70 0.00 0.00 55.95 57.49 1s1u s SER 515 Cb 0.31 -2.21 0.14 0.00 -1.71 0.00 0.00 66.02 62.55 1s1u s SER 515 CO 0.28 -0.08 1.82 -0.08 1.20 0.00 0.00 173.24 176.39 1s1u h GLU 516 N 7.52 1.03 -0.03 5.44 4.81 -2.01 -2.72 114.58 128.62 1s1u h GLU 516 Ca -0.35 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1s1u h GLU 516 Cb 1.16 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 1s1u h GLU 516 CO 0.70 0.76 -0.20 1.25 -0.73 0.00 0.00 179.01 180.79 1s1u h LEU 517 N 1.02 -0.61 -0.09 1.64 6.46 -1.98 -1.92 115.31 119.84 1s1u h LEU 517 Ca 0.26 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 58.13 1s1u h LEU 517 Cb 0.03 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1s1u h LEU 517 CO -0.04 -0.27 -0.25 0.58 -0.62 0.00 0.00 178.44 177.84 1s1u h VAL 518 N -0.31 0.00 -0.91 1.05 2.07 -1.93 -0.38 116.25 115.83 1s1u h VAL 518 Ca 0.07 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.84 1s1u h VAL 518 Cb 0.40 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.00 1s1u h VAL 518 CO -0.21 0.00 0.04 0.59 0.02 0.00 0.00 177.57 178.01 1s1u n ASN 519 N -3.90 -0.09 0.30 0.57 3.02 -0.99 0.83 115.26 115.01 1s1u n ASN 519 Ca -0.03 1.55 -0.17 0.00 -0.03 0.00 0.00 54.58 55.91 1s1u n ASN 519 Cb 0.17 -0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 38.69 1s1u n ASN 519 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1s1u h GLN 520 N 0.00 -0.82 -0.51 3.52 4.20 -0.34 0.12 115.11 121.29 1s1u h GLN 520 Ca 0.56 0.06 0.10 0.00 0.06 0.00 0.00 58.65 59.43 1s1u h GLN 520 Cb 1.18 0.19 -0.10 0.00 0.30 0.00 0.00 27.48 29.05 1s1u h GLN 520 CO -0.85 -0.55 -0.15 0.82 -0.67 0.00 0.00 178.83 177.43 1s1u h ILE 521 N -0.85 0.45 -0.84 2.54 2.04 0.18 0.47 117.51 121.50 1s1u h ILE 521 Ca -0.06 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.99 1s1u h ILE 521 Cb 0.70 0.45 -0.12 0.00 -0.74 0.00 0.00 36.82 37.12 1s1u h ILE 521 CO 0.04 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.92 1s1u h ILE 522 N -0.03 0.51 -0.12 -0.67 2.04 0.31 0.58 117.51 120.14 1s1u h ILE 522 Ca 0.24 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1s1u h ILE 522 Cb 0.40 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1s1u h ILE 522 CO -0.54 0.07 0.05 -0.08 0.00 0.00 0.00 178.15 177.65 1s1u h GLU 523 N 0.38 0.11 -0.31 2.37 4.57 0.26 -1.52 114.58 120.44 1s1u h GLU 523 Ca 0.50 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.74 1s1u h GLU 523 Cb 0.90 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.39 1s1u h GLU 523 CO -0.51 0.08 -0.18 1.96 -1.18 0.00 0.00 179.01 179.18 1s1u h GLN 524 N 0.12 -0.14 -0.34 1.92 1.08 0.16 -1.90 115.11 116.00 1s1u h GLN 524 Ca 0.05 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.33 1s1u h GLN 524 Cb 0.02 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.41 1s1u h GLN 524 CO -0.04 -0.09 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.59 1s1u h LEU 525 N -0.14 -0.33 -1.35 1.46 3.38 -0.41 0.11 115.31 118.04 1s1u h LEU 525 Ca 0.16 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1s1u h LEU 525 Cb 0.39 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1s1u h LEU 525 CO -0.39 -0.12 0.51 0.40 0.09 0.00 0.00 178.44 178.93 1s1u h ILE 526 N -0.01 0.97 -0.40 1.22 2.04 -0.54 -2.44 117.51 118.36 1s1u h ILE 526 Ca 0.17 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 1s1u h ILE 526 Cb 0.26 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1s1u h ILE 526 CO -0.36 0.14 -0.03 0.11 0.00 0.00 0.00 178.15 178.01 1s1u h LYS 527 N 0.75 0.72 -7.06 2.37 1.79 -0.35 -3.46 116.57 111.33 1s1u h LYS 527 Ca 0.36 -0.24 -0.53 0.00 -2.18 0.00 0.00 60.65 58.05 1s1u h LYS 527 Cb 0.40 -0.06 0.20 0.00 -1.58 0.00 0.00 32.23 31.19 1s1u h LYS 527 CO -0.13 0.83 -0.05 1.63 -1.08 0.00 0.00 179.45 180.64 1s1u n LYS 528 N -4.41 -0.21 -0.04 3.15 4.76 -0.73 -4.97 118.16 115.71 1s1u n LYS 528 Ca -0.01 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.23 1s1u n LYS 528 Cb 0.31 -2.19 -0.13 0.00 -1.84 0.00 0.00 35.03 31.18 1s1u n LYS 528 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1s1u h GLU 529 N -1.46 0.13 -2.67 1.97 4.39 -1.04 -3.48 114.58 112.43 1s1u h GLU 529 Ca -0.44 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 58.91 1s1u h GLU 529 Cb 1.29 0.09 -0.26 0.00 -0.10 0.00 0.00 28.75 29.76 1s1u h GLU 529 CO 0.40 1.11 -0.29 0.15 -1.16 0.00 0.00 179.01 179.22 1s1u s LYS 530 N -2.41 0.40 -0.03 2.33 1.02 -0.96 -5.03 119.74 115.06 1s1u s LYS 530 Ca -0.22 0.74 0.02 0.00 0.02 0.00 0.00 55.97 56.53 1s1u s LYS 530 Cb 0.04 0.02 0.01 0.00 -0.52 0.00 0.00 37.83 37.38 1s1u s LYS 530 CO 0.70 -0.14 -0.06 0.08 -0.92 0.00 0.00 175.35 175.02 1s1u s VAL 531 N 1.18 0.56 -0.11 3.17 1.01 -1.26 -1.47 120.40 123.49 1s1u s VAL 531 Ca -0.08 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1s1u s VAL 531 Cb -0.07 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1s1u s VAL 531 CO -0.10 0.20 -0.18 -0.47 0.00 0.00 0.00 175.10 174.55 1s1u s TYR 532 N 0.49 2.17 -0.12 5.22 5.04 0.12 0.70 117.35 130.98 1s1u s TYR 532 Ca -0.07 -0.98 -0.00 0.00 -2.44 0.00 0.00 57.07 53.58 1s1u s TYR 532 Cb -0.10 -1.52 -0.02 0.00 0.35 0.00 0.00 41.96 40.67 1s1u s TYR 532 CO 0.00 -0.46 -0.12 -0.51 -1.34 0.00 0.00 175.55 173.13 1s1u s LEU 533 N 0.74 2.82 0.05 6.97 1.43 -1.26 0.42 118.68 129.85 1s1u s LEU 533 Ca -0.11 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1s1u s LEU 533 Cb -0.16 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1s1u s LEU 533 CO 0.02 0.20 -0.11 0.00 0.23 0.00 0.00 176.35 176.68 1s1u s ALA 534 N 0.17 0.87 0.03 4.21 0.00 0.08 -4.97 121.76 122.15 1s1u s ALA 534 Ca -0.06 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.09 1s1u s ALA 534 Cb -0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1s1u s ALA 534 CO 0.05 0.08 -0.15 -0.46 0.00 0.00 0.00 175.76 175.27 1s1u s TRP 535 N -1.28 2.64 -0.01 0.00 -0.00 -1.26 -0.59 118.94 118.45 1s1u s TRP 535 Ca -0.06 -0.20 -0.06 0.00 -0.00 0.00 0.00 56.10 55.78 1s1u s TRP 535 Cb -0.10 -1.51 0.00 0.00 -0.00 0.00 0.00 33.47 31.87 1s1u s TRP 535 CO 0.01 0.27 0.13 0.14 -0.00 0.00 0.00 176.95 177.50 1s1u s VAL 536 N -0.93 0.07 1.14 5.86 -7.23 0.54 -4.91 120.40 114.94 1s1u s VAL 536 Ca 0.15 -0.54 -0.17 0.00 -1.81 0.00 0.00 61.98 59.61 1s1u s VAL 536 Cb -0.11 -0.37 0.17 0.00 0.56 0.00 0.00 36.38 36.63 1s1u s VAL 536 CO 0.05 -0.30 0.32 -2.65 -0.31 0.00 0.00 175.10 172.22 1s1u n PRO 537 N 1.84 -1.91 0.00 4.82 -0.02 -1.26 -3.60 135.00 134.88 1s1u n PRO 537 Ca -0.20 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 1s1u n PRO 537 Cb 0.56 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1s1u n PRO 537 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s1u n ALA 538 N -4.61 0.00 0.00 3.55 0.00 -1.26 -4.78 120.51 113.41 1s1u n ALA 538 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1s1u n ALA 538 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1s1u n ALA 538 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22