#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rtd s ILE 2 N 0.00 1.63 0.29 3.15 1.01 -1.26 -4.56 121.20 121.46 1rtd s ILE 2 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 1rtd s ILE 2 Cb 0.00 -1.40 -0.11 0.00 0.01 0.00 0.00 42.46 40.96 1rtd s ILE 2 CO 0.00 0.26 1.48 -0.55 0.00 0.00 0.00 174.94 176.13 1rtd s SER 3 N -0.99 6.54 0.00 3.58 0.15 0.20 -4.62 113.70 118.57 1rtd s SER 3 Ca 0.07 2.81 0.08 0.00 0.70 0.00 0.00 55.95 59.61 1rtd s SER 3 Cb -0.08 -2.64 0.24 0.00 -1.71 0.00 0.00 66.02 61.83 1rtd s SER 3 CO 0.01 -0.77 1.19 -0.81 1.20 0.00 0.00 173.24 174.06 1rtd n PRO 4 N 1.82 1.51 -1.96 5.44 -0.04 -1.26 -4.49 135.00 136.01 1rtd n PRO 4 Ca 0.05 -0.79 -0.39 0.00 -0.04 0.00 0.00 63.50 62.34 1rtd n PRO 4 Cb 0.39 -1.18 0.01 0.00 -0.04 0.00 0.00 33.50 32.68 1rtd n PRO 4 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rtd s ILE 5 N -1.71 2.44 0.54 0.52 2.07 -1.26 -4.97 121.20 118.83 1rtd s ILE 5 Ca 0.16 0.37 -0.21 0.00 -1.41 0.00 0.00 60.65 59.56 1rtd s ILE 5 Cb 0.08 -3.20 -0.05 0.00 0.13 0.00 0.00 42.46 39.42 1rtd s ILE 5 CO 0.11 0.03 1.24 -1.61 -1.91 0.00 0.00 174.94 172.80 1rtd s GLU 6 N -2.55 3.23 0.41 3.50 2.02 -1.26 -4.77 118.70 119.28 1rtd s GLU 6 Ca 0.63 1.94 -0.22 0.00 0.02 0.00 0.00 54.97 57.34 1rtd s GLU 6 Cb -0.38 -2.16 -0.10 0.00 0.10 0.00 0.00 34.13 31.59 1rtd s GLU 6 CO 0.48 -1.03 0.96 0.95 0.02 0.00 0.00 175.26 176.63 1rtd s THR 7 N -1.49 4.27 -0.28 3.63 -4.23 -1.26 -5.00 115.64 111.28 1rtd s THR 7 Ca 0.72 1.54 -0.26 0.00 -1.18 0.00 0.00 61.69 62.51 1rtd s THR 7 Cb -0.33 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.82 1rtd s THR 7 CO 0.38 -0.19 0.91 -0.69 -0.54 0.00 0.00 174.62 174.49 1rtd s VAL 8 N -2.00 4.72 -0.13 2.29 1.01 -1.26 -4.99 120.40 120.05 1rtd s VAL 8 Ca 0.59 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.84 1rtd s VAL 8 Cb -0.12 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1rtd s VAL 8 CO 0.17 -0.24 1.71 -2.16 0.00 0.00 0.00 175.10 174.58 1rtd s PRO 9 N 3.12 3.94 0.06 2.72 0.04 -1.26 -4.44 135.00 139.18 1rtd s PRO 9 Ca 0.38 2.00 0.03 0.00 0.04 0.00 0.00 61.00 63.45 1rtd s PRO 9 Cb -0.14 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 1rtd s PRO 9 CO 0.11 -1.14 0.02 0.08 0.04 0.00 0.00 177.00 176.11 1rtd s VAL 10 N 4.89 4.21 0.16 -0.36 1.01 -1.26 -5.13 120.40 123.91 1rtd s VAL 10 Ca 0.76 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1rtd s VAL 10 Cb -0.31 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1rtd s VAL 10 CO 0.31 0.20 -0.10 -0.75 0.00 0.00 0.00 175.10 174.76 1rtd s LYS 11 N -2.10 1.10 0.11 2.72 2.20 -1.26 -4.80 119.74 117.71 1rtd s LYS 11 Ca 0.25 -1.47 0.03 0.00 -0.36 0.00 0.00 55.97 54.42 1rtd s LYS 11 Cb -0.12 -0.68 -0.04 0.00 -1.51 0.00 0.00 37.83 35.48 1rtd s LYS 11 CO 0.17 0.08 0.14 -0.51 -0.36 0.00 0.00 175.35 174.87 1rtd s LEU 12 N -3.19 3.96 0.17 5.43 1.43 -1.26 -2.83 118.68 122.39 1rtd s LEU 12 Ca 0.18 0.02 -0.34 0.00 -1.03 0.00 0.00 54.13 52.96 1rtd s LEU 12 Cb 0.02 -2.59 -0.14 0.00 0.03 0.00 0.00 46.19 43.51 1rtd s LEU 12 CO 0.01 0.13 1.54 0.29 0.23 0.00 0.00 176.35 178.56 1rtd n LYS 13 N 0.08 2.09 -1.62 1.70 5.02 0.20 -4.64 118.16 120.99 1rtd n LYS 13 Ca -0.08 0.75 -0.61 0.00 -2.02 0.00 0.00 58.31 56.36 1rtd n LYS 13 Cb 0.53 -2.50 -0.08 0.00 -0.02 0.00 0.00 35.03 32.95 1rtd n LYS 13 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1rtd n PRO 14 N 3.19 0.28 -0.24 1.97 -0.04 -1.26 -2.29 135.00 136.61 1rtd n PRO 14 Ca 0.16 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1rtd n PRO 14 Cb 0.29 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1rtd n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rtd n GLY 15 N 2.79 1.81 3.80 0.55 0.00 -1.26 -5.04 105.19 107.84 1rtd n GLY 15 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1rtd n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rtd s MET 16 N -0.25 3.21 0.44 1.61 -1.94 -0.97 -5.12 119.30 116.28 1rtd s MET 16 Ca 0.00 -0.33 0.06 0.00 -1.71 0.00 0.00 55.69 53.71 1rtd s MET 16 Cb 0.00 -2.98 0.01 0.00 2.01 0.00 0.00 34.83 33.87 1rtd s MET 16 CO 0.00 0.71 0.61 0.34 -0.01 0.00 0.00 175.02 176.67 1rtd s ASP 17 N -1.30 5.63 0.90 3.03 2.15 -1.26 -4.77 116.67 121.05 1rtd s ASP 17 Ca 0.18 -0.23 -0.12 0.00 0.43 0.00 0.00 52.55 52.81 1rtd s ASP 17 Cb -0.12 -0.87 0.13 0.00 -0.30 0.00 0.00 42.92 41.76 1rtd s ASP 17 CO 0.08 -0.80 1.14 -0.83 -0.17 0.00 0.00 175.17 174.60 1rtd s GLY 18 N -4.33 1.58 0.24 2.66 0.00 -1.26 -4.94 107.32 101.28 1rtd s GLY 18 Ca 0.53 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.41 1rtd s GLY 18 CO 0.34 0.01 1.33 2.56 0.00 0.00 0.00 173.10 177.34 1rtd s PRO 19 N -5.31 4.37 -0.32 2.90 0.04 -1.26 -4.98 135.00 130.43 1rtd s PRO 19 Ca 0.64 2.13 0.10 0.00 0.04 0.00 0.00 61.00 63.91 1rtd s PRO 19 Cb -0.14 -3.15 0.46 0.00 0.04 0.00 0.00 34.50 31.71 1rtd s PRO 19 CO 0.53 -0.25 1.14 1.63 0.04 0.00 0.00 177.00 180.09 1rtd n LYS 20 N 2.08 3.06 -3.22 4.56 5.02 -1.25 -2.04 118.16 126.37 1rtd n LYS 20 Ca 0.04 -4.07 -0.39 0.00 -2.02 0.00 0.00 58.31 51.88 1rtd n LYS 20 Cb 0.42 -2.08 -0.06 0.00 -0.02 0.00 0.00 35.03 33.29 1rtd n LYS 20 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rtd s VAL 21 N -4.58 4.86 0.61 -0.18 0.11 -0.65 -4.84 120.40 115.73 1rtd s VAL 21 Ca 0.44 1.24 -0.16 0.00 -2.93 0.00 0.00 61.98 60.58 1rtd s VAL 21 Cb 0.40 -3.93 -0.03 0.00 -1.53 0.00 0.00 36.38 31.29 1rtd s VAL 21 CO -0.03 0.45 1.09 -0.75 -3.33 0.00 0.00 175.10 172.53 1rtd s LYS 22 N -0.42 3.12 -0.03 1.54 2.20 -1.26 -3.36 119.74 121.53 1rtd s LYS 22 Ca 0.31 1.35 -0.24 0.00 -0.36 0.00 0.00 55.97 57.03 1rtd s LYS 22 Cb -0.19 -2.00 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1rtd s LYS 22 CO 0.18 -0.99 0.73 -1.14 -0.36 0.00 0.00 175.35 173.77 1rtd s GLN 23 N -3.93 4.45 0.36 4.03 -0.44 -1.26 -4.44 119.66 118.44 1rtd s GLN 23 Ca 0.67 0.96 -0.21 0.00 -2.50 0.00 0.00 55.36 54.27 1rtd s GLN 23 Cb -0.19 -3.42 -0.10 0.00 -1.64 0.00 0.00 33.01 27.66 1rtd s GLN 23 CO 0.37 0.13 0.89 1.67 0.50 0.00 0.00 175.29 178.84 1rtd s TRP 24 N 0.54 3.46 0.24 1.67 -2.14 -1.26 -5.02 118.94 116.43 1rtd s TRP 24 Ca 0.39 1.57 -0.30 0.00 2.66 0.00 0.00 56.10 60.41 1rtd s TRP 24 Cb -0.19 -2.79 -0.10 0.00 -3.10 0.00 0.00 33.47 27.29 1rtd s TRP 24 CO 0.20 0.05 1.52 -1.25 -2.66 0.00 0.00 176.95 174.81 1rtd s PRO 25 N -2.73 4.21 0.55 3.25 0.04 -1.26 -5.01 135.00 134.05 1rtd s PRO 25 Ca 0.56 2.39 0.05 0.00 0.04 0.00 0.00 61.00 64.04 1rtd s PRO 25 Cb -0.12 -3.10 0.04 0.00 0.04 0.00 0.00 34.50 31.36 1rtd s PRO 25 CO 0.17 -0.53 0.40 -0.51 0.04 0.00 0.00 177.00 176.57 1rtd s LEU 26 N 0.02 2.66 0.44 -3.56 1.43 -1.26 -5.13 118.68 113.27 1rtd s LEU 26 Ca 0.63 -1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.24 1rtd s LEU 26 Cb -0.44 -1.14 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 1rtd s LEU 26 CO 0.41 -1.12 0.98 -0.89 0.23 0.00 0.00 176.35 175.96 1rtd s THR 27 N -2.79 4.14 0.38 5.49 2.01 -1.26 -4.95 115.64 118.66 1rtd s THR 27 Ca 0.32 1.39 0.10 0.00 0.31 0.00 0.00 61.69 63.81 1rtd s THR 27 Cb -0.02 -3.59 0.12 0.00 0.01 0.00 0.00 72.50 69.02 1rtd s THR 27 CO 0.20 -0.24 1.87 -0.08 -0.69 0.00 0.00 174.62 175.68 1rtd h GLU 28 N 1.93 0.15 0.25 4.92 4.81 -1.99 -1.85 114.58 122.80 1rtd h GLU 28 Ca -0.49 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1rtd h GLU 28 Cb 1.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1rtd h GLU 28 CO 0.61 0.39 -0.12 1.49 -0.73 0.00 0.00 179.01 180.65 1rtd h GLU 29 N 0.13 -0.32 -0.25 1.92 4.81 -1.99 -2.46 114.58 116.43 1rtd h GLU 29 Ca 0.02 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1rtd h GLU 29 Cb 0.51 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1rtd h GLU 29 CO 0.04 -0.10 0.11 0.87 -0.73 0.00 0.00 179.01 179.20 1rtd h LYS 30 N -0.49 0.36 -0.54 1.92 1.57 -1.93 -1.60 116.57 115.86 1rtd h LYS 30 Ca -0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1rtd h LYS 30 Cb 0.37 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1rtd h LYS 30 CO 0.06 0.37 0.35 0.82 -0.57 0.00 0.00 179.45 180.48 1rtd h ILE 31 N 0.26 1.14 -0.56 1.86 2.04 -1.39 0.19 117.51 121.06 1rtd h ILE 31 Ca 0.08 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1rtd h ILE 31 Cb 0.13 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1rtd h ILE 31 CO -0.01 0.14 0.09 0.50 0.00 0.00 0.00 178.15 178.87 1rtd h LYS 32 N 0.73 0.89 0.00 2.37 1.63 -1.36 -2.05 116.57 118.77 1rtd h LYS 32 Ca 0.20 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1rtd h LYS 32 Cb -0.08 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.43 1rtd h LYS 32 CO -0.04 0.82 0.00 0.00 -3.45 0.00 0.00 179.45 176.78 1rtd n ALA 33 N -2.47 2.28 0.20 5.00 0.00 -0.61 -3.35 120.51 121.57 1rtd n ALA 33 Ca 0.04 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1rtd n ALA 33 Cb 0.26 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 1rtd n ALA 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1rtd n LEU 34 N -2.12 0.40 0.04 0.00 7.94 0.62 -4.06 117.00 119.82 1rtd n LEU 34 Ca 0.06 0.04 -0.10 0.00 -1.11 0.00 0.00 56.01 54.90 1rtd n LEU 34 Cb 0.41 -0.03 0.03 0.00 0.53 0.00 0.00 43.42 44.35 1rtd n LEU 34 CO 0.30 -0.02 0.36 0.58 -1.11 0.00 0.00 177.39 177.50 1rtd h VAL 35 N 0.00 1.37 -0.61 1.96 2.07 -1.39 -2.80 116.25 116.84 1rtd h VAL 35 Ca 0.00 -2.09 -0.04 0.00 0.82 0.00 0.00 66.70 65.39 1rtd h VAL 35 Cb 0.91 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1rtd h VAL 35 CO 0.00 0.63 0.23 -0.33 0.02 0.00 0.00 177.57 178.12 1rtd h GLU 36 N 0.30 0.93 -0.61 1.57 5.08 -1.72 -1.12 114.58 119.00 1rtd h GLU 36 Ca -0.03 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1rtd h GLU 36 Cb 1.29 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1rtd h GLU 36 CO 0.12 0.80 0.01 0.82 -1.00 0.00 0.00 179.01 179.76 1rtd h ILE 37 N 0.86 1.26 0.00 3.13 1.08 -1.70 -2.68 117.51 119.46 1rtd h ILE 37 Ca 0.20 -1.14 -0.02 0.00 -0.39 0.00 0.00 64.86 63.51 1rtd h ILE 37 Cb 0.23 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1rtd h ILE 37 CO -0.01 0.42 -0.09 0.00 -0.69 0.00 0.00 178.15 177.77 1rtd h THR 39 N 0.00 1.28 -0.90 0.00 2.02 -1.19 -2.99 112.91 111.13 1rtd h THR 39 Ca -0.00 -2.58 -0.01 0.00 0.77 0.00 0.00 66.41 64.59 1rtd h THR 39 Cb 0.96 3.02 -0.04 0.00 -1.74 0.00 0.00 68.15 70.35 1rtd h THR 39 CO 0.01 0.77 0.54 -0.08 0.37 0.00 0.00 175.52 177.13 1rtd h GLU 40 N -0.09 1.23 0.01 6.66 4.81 -1.48 -2.42 114.58 123.30 1rtd h GLU 40 Ca -0.24 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 58.69 1rtd h GLU 40 Cb 1.93 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 1rtd h GLU 40 CO 0.19 0.86 -0.88 0.52 -0.73 0.00 0.00 179.01 178.98 1rtd h MET 41 N 1.24 0.07 -0.27 1.92 2.86 -1.60 -2.77 114.93 116.38 1rtd h MET 41 Ca 0.32 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.80 1rtd h MET 41 Cb -0.04 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1rtd h MET 41 CO -0.06 0.90 -0.16 1.49 1.06 0.00 0.00 176.91 180.15 1rtd h GLU 42 N 0.03 0.57 0.00 1.72 4.57 -1.32 0.34 114.58 120.50 1rtd h GLU 42 Ca -0.02 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 57.86 1rtd h GLU 42 Cb 1.54 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 1rtd h GLU 42 CO 0.12 0.84 -0.17 1.57 -1.18 0.00 0.00 179.01 180.19 1rtd h LYS 43 N 0.30 0.00 -0.10 1.92 2.10 -1.52 -2.23 116.57 117.05 1rtd h LYS 43 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1rtd h LYS 43 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1rtd h LYS 43 CO 0.04 0.17 0.00 0.39 -2.00 0.00 0.00 179.45 178.05 1rtd n GLU 44 N -3.33 2.06 -1.09 0.07 1.02 -1.05 -4.96 120.64 113.36 1rtd n GLU 44 Ca 0.00 -1.55 -0.03 0.00 -0.02 0.00 0.00 57.16 55.56 1rtd n GLU 44 Cb 0.40 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.34 1rtd n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rtd n GLY 45 N 1.29 0.53 0.15 0.62 0.00 -0.24 -4.68 105.19 102.86 1rtd n GLY 45 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1rtd n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rtd h LYS 46 N 0.34 0.00 -5.28 1.61 1.57 -0.66 -3.45 116.57 110.70 1rtd h LYS 46 Ca -0.07 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.34 1rtd h LYS 46 Cb 0.58 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.75 1rtd h LYS 46 CO 0.10 0.53 -0.72 0.96 -0.57 0.00 0.00 179.45 179.75 1rtd s ILE 47 N -3.75 1.41 -0.02 1.86 -4.36 -1.22 -1.25 121.20 113.87 1rtd s ILE 47 Ca -0.01 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.28 1rtd s ILE 47 Cb 0.13 -1.94 -0.00 0.00 1.25 0.00 0.00 42.46 41.89 1rtd s ILE 47 CO 0.74 -0.68 -0.10 -0.44 0.24 0.00 0.00 174.94 174.70 1rtd s SER 48 N -3.23 1.30 0.16 4.36 0.01 -0.60 -4.55 113.70 111.14 1rtd s SER 48 Ca 0.19 -0.20 -0.31 0.00 1.31 0.00 0.00 55.95 56.95 1rtd s SER 48 Cb 0.01 -0.26 -0.08 0.00 0.21 0.00 0.00 66.02 65.90 1rtd s SER 48 CO 0.03 0.10 1.35 -0.75 0.41 0.00 0.00 173.24 174.39 1rtd s LYS 49 N -0.02 4.35 -0.05 12.44 2.20 -1.26 -0.73 119.74 136.66 1rtd s LYS 49 Ca 0.00 2.07 0.05 0.00 -0.36 0.00 0.00 55.97 57.73 1rtd s LYS 49 Cb -0.07 -3.22 -0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1rtd s LYS 49 CO 0.00 -0.35 -0.20 0.96 -0.36 0.00 0.00 175.35 175.40 1rtd s ILE 50 N 0.63 1.68 0.00 5.43 -5.25 -1.26 -4.87 121.20 117.55 1rtd s ILE 50 Ca 0.61 -0.85 0.00 0.00 -0.99 0.00 0.00 60.65 59.42 1rtd s ILE 50 Cb -0.37 -1.43 0.00 0.00 2.95 0.00 0.00 42.46 43.61 1rtd s ILE 50 CO 0.34 0.47 0.00 0.61 -1.79 0.00 0.00 174.94 174.58 1rtd n GLY 51 N 3.14 0.87 0.00 6.27 0.00 -1.26 -4.60 105.19 109.61 1rtd n GLY 51 Ca -0.18 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.52 1rtd n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rtd n PRO 52 N 0.00 0.79 -0.06 1.61 -0.04 -1.26 -3.95 135.00 132.08 1rtd n PRO 52 Ca 0.00 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1rtd n PRO 52 Cb 0.00 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.34 1rtd n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1rtd n GLU 53 N -1.03 1.47 -3.99 0.54 0.00 -1.26 -4.67 120.64 111.70 1rtd n GLU 53 Ca 0.19 -0.72 -0.31 0.00 0.00 0.00 0.00 57.16 56.33 1rtd n GLU 53 Cb 0.11 -1.32 -0.15 0.00 0.00 0.00 0.00 31.44 30.08 1rtd n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1rtd s ASN 54 N -1.47 4.55 0.00 -1.84 3.84 -1.25 -4.98 114.94 113.78 1rtd s ASN 54 Ca 0.28 -2.57 0.19 0.00 0.21 0.00 0.00 52.86 50.97 1rtd s ASN 54 Cb 0.14 -1.63 1.03 0.00 -0.55 0.00 0.00 41.25 40.24 1rtd s ASN 54 CO 0.22 -0.31 1.56 -0.81 -2.79 0.00 0.00 177.10 174.97 1rtd n PRO 55 N 3.71 0.41 -3.08 0.43 -0.04 -1.26 -4.82 135.00 130.34 1rtd n PRO 55 Ca 0.04 0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 63.19 1rtd n PRO 55 Cb 0.37 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1rtd n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1rtd s TYR 56 N -2.32 3.75 -0.19 0.54 2.02 -1.26 -4.70 117.35 115.19 1rtd s TYR 56 Ca 0.23 1.45 -0.19 0.00 -0.37 0.00 0.00 57.07 58.19 1rtd s TYR 56 Cb 0.13 -2.65 0.05 0.00 -0.40 0.00 0.00 41.96 39.09 1rtd s TYR 56 CO 0.26 0.42 0.53 1.21 -1.57 0.00 0.00 175.55 176.40 1rtd s ASN 57 N -1.43 -0.54 -0.03 2.29 3.84 -0.87 -4.67 114.94 113.53 1rtd s ASN 57 Ca 0.39 1.02 -0.05 0.00 0.21 0.00 0.00 52.86 54.44 1rtd s ASN 57 Cb -0.19 1.04 0.01 0.00 -0.55 0.00 0.00 41.25 41.55 1rtd s ASN 57 CO 0.22 -0.21 0.11 -0.89 -2.79 0.00 0.00 177.10 173.54 1rtd s THR 58 N 0.17 0.03 0.37 -5.21 2.01 -0.91 -1.63 115.64 110.48 1rtd s THR 58 Ca -0.01 -0.26 -0.25 0.00 0.31 0.00 0.00 61.69 61.48 1rtd s THR 58 Cb -0.04 -0.25 -0.09 0.00 0.01 0.00 0.00 72.50 72.13 1rtd s THR 58 CO 0.01 -0.15 1.06 -2.16 -0.69 0.00 0.00 174.62 172.69 1rtd s PRO 59 N -0.45 4.27 0.23 4.92 0.04 -1.26 -4.13 135.00 138.61 1rtd s PRO 59 Ca -0.05 1.57 0.11 0.00 0.04 0.00 0.00 61.00 62.67 1rtd s PRO 59 Cb -0.03 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 1rtd s PRO 59 CO 0.00 -0.06 -0.20 0.14 0.04 0.00 0.00 177.00 176.93 1rtd s VAL 60 N -1.55 2.55 0.00 -0.36 -7.23 -1.26 -1.31 120.40 111.23 1rtd s VAL 60 Ca 0.55 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1rtd s VAL 60 Cb -0.24 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1rtd s VAL 60 CO 0.30 -0.23 0.00 2.22 -0.31 0.00 0.00 175.10 177.08 1rtd n PHE 61 N -0.15 -0.48 -3.70 2.82 -1.74 -0.41 -4.93 117.46 108.86 1rtd n PHE 61 Ca -0.09 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.67 1rtd n PHE 61 Cb 0.58 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.48 1rtd n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1rtd s ALA 62 N -1.33 -1.20 0.28 1.98 0.00 -1.26 -1.65 121.76 118.58 1rtd s ALA 62 Ca 0.00 1.44 0.09 0.00 0.00 0.00 0.00 51.96 53.49 1rtd s ALA 62 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1rtd s ALA 62 CO 0.00 -0.24 0.09 -1.50 0.00 0.00 0.00 175.76 174.10 1rtd s ILE 63 N 0.53 3.58 0.38 0.00 2.07 -0.75 -4.90 121.20 122.11 1rtd s ILE 63 Ca -0.02 -1.73 -0.14 0.00 -1.41 0.00 0.00 60.65 57.35 1rtd s ILE 63 Cb -0.04 -3.01 -0.08 0.00 0.13 0.00 0.00 42.46 39.45 1rtd s ILE 63 CO -0.03 -0.32 0.79 -0.54 -1.91 0.00 0.00 174.94 172.93 1rtd s LYS 64 N -3.76 3.94 0.57 3.50 1.02 -1.26 -0.98 119.74 122.75 1rtd s LYS 64 Ca 0.34 0.66 -0.07 0.00 0.02 0.00 0.00 55.97 56.92 1rtd s LYS 64 Cb -0.06 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1rtd s LYS 64 CO 0.22 0.03 0.90 0.15 -0.92 0.00 0.00 175.35 175.73 1rtd s LYS 65 N -3.41 3.25 0.37 1.68 1.02 -0.97 -4.84 119.74 116.85 1rtd s LYS 65 Ca 0.54 0.24 0.15 0.00 0.02 0.00 0.00 55.97 56.92 1rtd s LYS 65 Cb -0.10 -2.26 1.03 0.00 -0.52 0.00 0.00 37.83 35.98 1rtd s LYS 65 CO 0.23 -0.53 1.76 0.87 -0.92 0.00 0.00 175.35 176.76 1rtd h LYS 66 N -0.10 0.45 -0.41 1.68 1.79 -1.98 -0.77 116.57 117.23 1rtd h LYS 66 Ca -0.46 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 57.94 1rtd h LYS 66 Cb 1.23 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 1rtd h LYS 66 CO 0.62 0.30 0.04 -0.25 -1.08 0.00 0.00 179.45 179.07 1rtd n ASP 67 N -4.70 4.36 -0.11 0.86 9.92 -1.26 -5.09 116.55 120.54 1rtd n ASP 67 Ca 0.26 -3.09 0.00 0.00 -0.53 0.00 0.00 54.79 51.42 1rtd n ASP 67 Cb 0.83 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1rtd n ASP 67 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1rtd n SER 68 N -0.24 -1.94 0.00 -2.24 7.64 -0.30 -4.85 113.62 111.69 1rtd n SER 68 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1rtd n SER 68 Cb 1.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1rtd n SER 68 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1rtd n THR 69 N -0.21 0.00 -4.01 0.44 -1.04 -1.26 -4.73 114.28 103.47 1rtd n THR 69 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1rtd n THR 69 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1rtd n THR 69 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1rtd s LYS 70 N 0.00 3.24 0.70 -2.82 1.02 -1.26 -5.05 119.74 115.56 1rtd s LYS 70 Ca 0.00 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.59 1rtd s LYS 70 Cb 0.00 -2.97 0.12 0.00 -0.52 0.00 0.00 37.83 34.46 1rtd s LYS 70 CO 0.00 0.67 0.97 -1.58 -0.92 0.00 0.00 175.35 174.49 1rtd s TRP 71 N -1.24 1.66 -0.08 3.18 0.52 -1.26 -2.28 118.94 119.44 1rtd s TRP 71 Ca 0.24 -0.28 -0.02 0.00 0.02 0.00 0.00 56.10 56.06 1rtd s TRP 71 Cb -0.12 -2.93 0.03 0.00 -1.15 0.00 0.00 33.47 29.30 1rtd s TRP 71 CO 0.15 -1.63 0.03 0.50 0.02 0.00 0.00 176.95 176.02 1rtd s ARG 72 N -5.09 0.39 -0.19 4.98 3.52 -0.16 -4.72 118.95 117.67 1rtd s ARG 72 Ca 0.65 0.13 -0.28 0.00 -0.13 0.00 0.00 55.73 56.11 1rtd s ARG 72 Cb -0.06 -0.99 -0.00 0.00 -1.56 0.00 0.00 34.95 32.34 1rtd s ARG 72 CO 0.44 -0.36 0.96 0.21 -0.81 0.00 0.00 175.30 175.73 1rtd s LYS 73 N 2.03 4.29 0.17 5.12 2.20 -1.26 -1.81 119.74 130.48 1rtd s LYS 73 Ca 0.04 1.23 0.10 0.00 -0.36 0.00 0.00 55.97 56.99 1rtd s LYS 73 Cb -0.13 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1rtd s LYS 73 CO -0.05 -0.49 -0.18 -0.51 -0.36 0.00 0.00 175.35 173.77 1rtd s LEU 74 N 2.69 2.68 -0.06 5.43 1.43 -0.66 -4.66 118.68 125.52 1rtd s LEU 74 Ca 0.42 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1rtd s LEU 74 Cb -0.16 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1rtd s LEU 74 CO 0.10 0.13 -0.10 -0.69 0.23 0.00 0.00 176.35 176.02 1rtd s VAL 75 N -1.56 0.97 -1.28 -1.59 1.01 -1.03 -1.29 120.40 115.64 1rtd s VAL 75 Ca 0.21 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 1rtd s VAL 75 Cb -0.09 -0.92 0.12 0.00 0.00 0.00 0.00 36.38 35.50 1rtd s VAL 75 CO 0.12 0.32 1.68 -0.67 0.00 0.00 0.00 175.10 176.55 1rtd n ASP 76 N 3.97 4.98 -0.81 3.32 2.03 -0.43 -4.50 116.55 125.11 1rtd n ASP 76 Ca -0.22 -2.96 0.02 0.00 0.52 0.00 0.00 54.79 52.14 1rtd n ASP 76 Cb 0.51 -1.63 0.10 0.00 -0.72 0.00 0.00 41.12 39.38 1rtd n ASP 76 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1rtd n PHE 77 N 6.41 0.48 0.08 -0.67 3.72 -1.26 -4.43 117.46 121.80 1rtd n PHE 77 Ca 0.43 -0.17 0.21 0.00 -0.05 0.00 0.00 57.45 57.87 1rtd n PHE 77 Cb 0.43 -0.19 0.72 0.00 -0.94 0.00 0.00 39.48 39.49 1rtd n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rtd h ARG 78 N 0.95 0.00 0.00 -1.08 3.08 -1.87 0.40 114.38 115.86 1rtd h ARG 78 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1rtd h ARG 78 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1rtd h ARG 78 CO 0.11 0.00 -0.33 1.49 -1.07 0.00 0.00 179.97 180.17 1rtd h GLU 79 N 0.00 0.00 -0.55 0.04 4.57 -2.00 -3.28 114.58 113.36 1rtd h GLU 79 Ca 0.21 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.31 1rtd h GLU 79 Cb 1.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1rtd h GLU 79 CO -0.00 0.86 0.02 1.25 -1.18 0.00 0.00 179.01 179.96 1rtd h LEU 80 N -1.00 0.89 -1.57 1.64 5.85 -1.43 -2.63 115.31 117.06 1rtd h LEU 80 Ca -0.09 -0.22 0.17 0.00 0.84 0.00 0.00 57.88 58.58 1rtd h LEU 80 Cb 0.96 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 1rtd h LEU 80 CO -0.05 0.94 0.54 0.78 -0.34 0.00 0.00 178.44 180.30 1rtd h ASN 81 N 0.85 0.38 -0.17 1.25 2.35 -0.43 0.36 115.58 120.17 1rtd h ASN 81 Ca 0.16 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 1rtd h ASN 81 Cb 0.48 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1rtd h ASN 81 CO 0.02 0.18 -0.36 0.11 -1.65 0.00 0.00 177.43 175.73 1rtd h LYS 82 N 0.39 0.53 -0.00 0.81 1.57 -1.53 -3.23 116.57 115.12 1rtd h LYS 82 Ca 0.41 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1rtd h LYS 82 Cb 0.99 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1rtd h LYS 82 CO -0.13 0.97 -0.01 0.54 -0.57 0.00 0.00 179.45 180.24 1rtd n ARG 83 N -4.31 0.29 -3.24 3.15 1.74 -0.16 -4.86 116.66 109.26 1rtd n ARG 83 Ca -0.06 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.69 1rtd n ARG 83 Cb 0.51 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 1rtd n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1rtd s THR 84 N -2.72 4.79 0.72 0.55 2.01 -0.06 0.58 115.64 121.51 1rtd s THR 84 Ca 0.24 0.73 -0.15 0.00 0.31 0.00 0.00 61.69 62.81 1rtd s THR 84 Cb 0.20 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1rtd s THR 84 CO 0.49 -0.16 1.21 0.00 -0.69 0.00 0.00 174.62 175.48 1rtd s GLN 85 N -2.96 2.20 0.66 4.92 -2.07 -1.13 -4.36 119.66 116.92 1rtd s GLN 85 Ca 0.51 1.79 -0.13 0.00 -1.82 0.00 0.00 55.36 55.71 1rtd s GLN 85 Cb -0.11 -1.84 -0.00 0.00 -1.09 0.00 0.00 33.01 29.97 1rtd s GLN 85 CO 0.20 -1.80 1.07 -0.51 -1.32 0.00 0.00 175.29 172.93 1rtd s ASP 86 N -1.96 5.36 0.26 12.60 1.11 -1.26 -4.96 116.67 127.81 1rtd s ASP 86 Ca 0.75 1.80 0.00 0.00 0.18 0.00 0.00 52.55 55.28 1rtd s ASP 86 Cb -0.30 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.17 1rtd s ASP 86 CO 0.44 -1.46 0.03 0.49 1.18 0.00 0.00 175.17 175.85 1rtd n PHE 87 N -2.62 0.37 -3.84 4.23 3.01 -1.26 -5.11 117.46 112.23 1rtd n PHE 87 Ca 0.09 -1.24 -0.27 0.00 1.01 0.00 0.00 57.45 57.04 1rtd n PHE 87 Cb 0.53 -0.18 -0.17 0.00 -0.01 0.00 0.00 39.48 39.66 1rtd n PHE 87 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 1rtd s TRP 88 N -1.84 1.36 -0.08 1.38 -0.11 -1.26 -5.09 118.94 113.29 1rtd s TRP 88 Ca 0.02 -0.83 -0.30 0.00 1.22 0.00 0.00 56.10 56.22 1rtd s TRP 88 Cb -0.00 -1.16 -0.05 0.00 -1.50 0.00 0.00 33.47 30.77 1rtd s TRP 88 CO 0.01 -0.55 1.58 -1.21 -4.62 0.00 0.00 176.95 172.16 1rtd s GLU 89 N 1.75 4.17 0.13 5.86 0.41 -1.26 -4.90 118.70 124.86 1rtd s GLU 89 Ca 0.02 2.06 0.26 0.00 -0.41 0.00 0.00 54.97 56.90 1rtd s GLU 89 Cb -0.15 -3.95 0.77 0.00 -1.78 0.00 0.00 34.13 29.02 1rtd s GLU 89 CO -0.07 -0.84 1.68 1.55 -0.49 0.00 0.00 175.26 177.08 1rtd n VAL 90 N 5.50 0.38 -2.91 2.63 3.14 -1.26 -4.74 118.33 121.08 1rtd n VAL 90 Ca 0.17 -0.21 -0.43 0.00 -2.96 0.00 0.00 64.34 60.91 1rtd n VAL 90 Cb 0.43 -0.40 -0.05 0.00 -1.06 0.00 0.00 33.84 32.76 1rtd n VAL 90 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1rtd s GLN 91 N -3.09 3.44 0.00 1.45 -1.52 -1.26 -4.91 119.66 113.77 1rtd s GLN 91 Ca 0.10 -0.02 0.25 0.00 -1.95 0.00 0.00 55.36 53.75 1rtd s GLN 91 Cb 0.14 -3.94 0.56 0.00 -0.22 0.00 0.00 33.01 29.55 1rtd s GLN 91 CO 0.62 -1.17 1.44 1.28 -0.25 0.00 0.00 175.29 177.21 1rtd n LEU 92 N 6.91 1.26 0.00 2.90 4.32 -1.26 -5.05 117.00 126.07 1rtd n LEU 92 Ca 0.04 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.65 1rtd n LEU 92 Cb 0.48 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1rtd n LEU 92 CO 0.61 0.24 0.00 0.61 -1.22 0.00 0.00 177.39 177.63 1rtd n GLY 93 N 1.36 -0.68 3.69 -0.72 0.00 -1.26 -5.13 105.19 102.44 1rtd n GLY 93 Ca 0.11 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1rtd n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rtd s ILE 94 N -2.00 5.34 0.29 -0.61 1.01 -1.26 -5.08 121.20 118.89 1rtd s ILE 94 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 1rtd s ILE 94 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 1rtd s ILE 94 CO 0.00 0.36 1.24 -2.84 0.00 0.00 0.00 174.94 173.70 1rtd s PRO 95 N 0.87 4.46 -0.11 2.79 0.02 -1.26 -5.05 135.00 136.72 1rtd s PRO 95 Ca 0.10 2.05 -0.00 0.00 0.02 0.00 0.00 61.00 63.17 1rtd s PRO 95 Cb -0.13 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 1rtd s PRO 95 CO 0.03 -0.07 -0.10 -1.58 -0.33 0.00 0.00 177.00 174.96 1rtd s HIS 96 N -0.90 2.87 0.67 6.54 2.46 -1.26 -5.01 115.29 120.66 1rtd s HIS 96 Ca 0.49 -0.32 0.41 0.00 0.47 0.00 0.00 55.06 56.11 1rtd s HIS 96 Cb -0.37 -1.80 2.26 0.00 -0.13 0.00 0.00 32.58 32.54 1rtd s HIS 96 CO 0.46 0.03 2.28 -1.00 -2.47 0.00 0.00 174.74 174.05 1rtd h PRO 97 N 6.11 0.00 0.00 2.88 0.13 -1.96 0.14 132.00 139.30 1rtd h PRO 97 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1rtd h PRO 97 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rtd h PRO 97 CO 0.56 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.33 1rtd h ALA 98 N 1.87 1.00 0.00 -0.56 0.00 -1.84 -2.76 119.26 116.97 1rtd h ALA 98 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rtd h ALA 98 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rtd h ALA 98 CO -0.00 0.00 -1.18 0.41 0.00 0.00 0.00 179.25 178.48 1rtd n GLY 99 N 0.61 -1.38 3.77 0.00 0.00 0.48 -3.39 105.19 105.28 1rtd n GLY 99 Ca 0.04 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1rtd n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rtd s LEU 100 N -5.27 4.13 0.06 0.99 1.43 -1.04 -4.63 118.68 114.35 1rtd s LEU 100 Ca -0.02 2.55 0.01 0.00 -1.03 0.00 0.00 54.13 55.64 1rtd s LEU 100 Cb 0.10 -4.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1rtd s LEU 100 CO 0.81 -0.92 0.16 -0.54 0.23 0.00 0.00 176.35 176.09 1rtd s LYS 101 N -2.42 3.26 -0.25 1.70 1.02 -1.26 0.49 119.74 122.29 1rtd s LYS 101 Ca 0.60 -0.51 -0.28 0.00 0.02 0.00 0.00 55.97 55.80 1rtd s LYS 101 Cb -0.35 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1rtd s LYS 101 CO 0.44 0.60 2.19 -1.59 -0.92 0.00 0.00 175.35 176.07 1rtd s LYS 102 N -2.42 3.08 0.01 1.68 -2.85 -1.25 -4.90 119.74 113.09 1rtd s LYS 102 Ca 0.32 1.93 0.00 0.00 -1.00 0.00 0.00 55.97 57.23 1rtd s LYS 102 Cb -0.13 -4.37 -0.04 0.00 -2.06 0.00 0.00 37.83 31.23 1rtd s LYS 102 CO 0.25 -2.16 0.07 0.15 0.10 0.00 0.00 175.35 173.76 1rtd s LYS 103 N 6.41 2.99 0.30 1.78 -0.14 -1.26 -5.03 119.74 124.78 1rtd s LYS 103 Ca 0.98 -0.53 0.08 0.00 -1.36 0.00 0.00 55.97 55.14 1rtd s LYS 103 Cb -0.31 -2.81 0.45 0.00 -1.68 0.00 0.00 37.83 33.48 1rtd s LYS 103 CO 0.34 0.63 1.69 -0.22 -0.76 0.00 0.00 175.35 177.03 1rtd h LYS 104 N 4.03 0.17 -2.86 1.68 3.64 -1.83 -3.44 116.57 117.96 1rtd h LYS 104 Ca -0.49 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 58.64 1rtd h LYS 104 Cb 1.18 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.72 1rtd h LYS 104 CO 0.62 0.60 -0.41 -1.12 -2.27 0.00 0.00 179.45 176.87 1rtd s SER 105 N -6.89 -0.36 0.09 4.20 0.01 -0.90 -4.90 113.70 104.96 1rtd s SER 105 Ca -0.04 0.68 0.07 0.00 1.31 0.00 0.00 55.95 57.97 1rtd s SER 105 Cb 0.13 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.90 1rtd s SER 105 CO 0.77 -0.18 -0.17 -0.69 0.41 0.00 0.00 173.24 173.37 1rtd s VAL 106 N 1.36 1.42 -0.23 3.43 1.01 -1.26 -0.80 120.40 125.32 1rtd s VAL 106 Ca -0.09 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 1rtd s VAL 106 Cb -0.10 -1.34 0.12 0.00 0.00 0.00 0.00 36.38 35.06 1rtd s VAL 106 CO -0.10 -0.16 0.44 0.42 0.00 0.00 0.00 175.10 175.69 1rtd s THR 107 N -1.30 -0.69 -0.27 3.92 -4.23 -0.81 -4.63 115.64 107.63 1rtd s THR 107 Ca 0.03 0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.50 1rtd s THR 107 Cb -0.10 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 1rtd s THR 107 CO 0.03 -0.01 0.16 0.68 -0.54 0.00 0.00 174.62 174.94 1rtd s VAL 108 N 2.63 5.05 0.18 2.29 -7.23 -1.06 -2.23 120.40 120.03 1rtd s VAL 108 Ca 0.05 0.08 0.08 0.00 -1.81 0.00 0.00 61.98 60.38 1rtd s VAL 108 Cb -0.13 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 1rtd s VAL 108 CO -0.15 0.28 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.12 1rtd s LEU 109 N 1.68 3.16 -0.02 1.32 1.02 -0.61 -0.75 118.68 124.48 1rtd s LEU 109 Ca 0.07 -0.48 0.06 0.00 0.02 0.00 0.00 54.13 53.80 1rtd s LEU 109 Cb -0.16 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 1rtd s LEU 109 CO 0.09 0.09 -0.20 -0.62 0.02 0.00 0.00 176.35 175.73 1rtd s ASP 110 N -2.90 2.39 -0.33 2.29 -1.08 -1.26 -1.37 116.67 114.40 1rtd s ASP 110 Ca 0.26 -0.37 -0.17 0.00 -0.52 0.00 0.00 52.55 51.76 1rtd s ASP 110 Cb -0.09 -0.27 -0.01 0.00 -1.46 0.00 0.00 42.92 41.09 1rtd s ASP 110 CO 0.17 0.25 0.44 -0.69 0.52 0.00 0.00 175.17 175.86 1rtd s VAL 111 N -0.47 5.09 0.53 1.11 1.01 -0.84 -4.44 120.40 122.39 1rtd s VAL 111 Ca 0.08 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 1rtd s VAL 111 Cb -0.08 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1rtd s VAL 111 CO -0.01 -0.12 1.13 -0.83 0.00 0.00 0.00 175.10 175.28 1rtd s GLY 112 N 1.73 2.65 -1.45 4.51 0.00 -0.92 -3.76 107.32 110.08 1rtd s GLY 112 Ca 0.16 0.83 -0.01 0.00 0.00 0.00 0.00 44.72 45.70 1rtd s GLY 112 CO 0.12 1.20 0.35 1.34 0.00 0.00 0.00 173.10 176.11 1rtd n ASP 113 N -1.18 -0.16 -0.00 1.64 2.03 -1.26 -4.46 116.55 113.16 1rtd n ASP 113 Ca 0.11 -1.06 -0.00 0.00 0.52 0.00 0.00 54.79 54.36 1rtd n ASP 113 Cb 0.51 -2.75 -0.00 0.00 -0.72 0.00 0.00 41.12 38.16 1rtd n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rtd h ALA 114 N 0.83 -0.33 -0.22 -1.67 0.00 -1.96 -2.94 119.26 112.98 1rtd h ALA 114 Ca -0.64 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1rtd h ALA 114 Cb 1.38 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1rtd h ALA 114 CO 0.65 -0.33 0.06 1.88 0.00 0.00 0.00 179.25 181.51 1rtd h TYR 115 N -0.00 0.31 -0.74 0.00 -1.99 -1.90 -2.87 116.97 109.77 1rtd h TYR 115 Ca 0.00 -0.01 -0.60 0.00 2.00 0.00 0.00 58.73 60.12 1rtd h TYR 115 Cb 0.00 -0.10 -0.10 0.00 2.00 0.00 0.00 36.73 38.54 1rtd h TYR 115 CO -0.56 0.27 1.87 1.19 -0.00 0.00 0.00 178.16 180.94 1rtd n PHE 116 N -4.41 1.98 -1.32 4.88 3.72 -1.11 -2.41 117.46 118.79 1rtd n PHE 116 Ca 0.00 -2.50 0.00 0.00 -0.05 0.00 0.00 57.45 54.90 1rtd n PHE 116 Cb 0.15 -1.83 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 1rtd n PHE 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1rtd n SER 117 N 2.01 0.00 -4.08 4.37 7.64 -1.08 -4.87 113.62 117.60 1rtd n SER 117 Ca 0.60 -0.66 -0.32 0.00 1.01 0.00 0.00 58.87 59.50 1rtd n SER 117 Cb 0.40 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.44 1rtd n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rtd s VAL 118 N 0.00 1.89 0.59 0.44 1.01 -1.01 -0.62 120.40 122.69 1rtd s VAL 118 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 1rtd s VAL 118 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1rtd s VAL 118 CO 0.00 0.51 1.21 -2.65 0.00 0.00 0.00 175.10 174.17 1rtd n PRO 119 N 4.67 1.26 -4.19 2.72 -0.02 -1.26 -1.07 135.00 137.12 1rtd n PRO 119 Ca -0.20 0.48 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 1rtd n PRO 119 Cb 0.50 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 1rtd n PRO 119 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1rtd s LEU 120 N -3.23 3.72 -0.26 2.45 2.96 -0.56 -4.59 118.68 119.17 1rtd s LEU 120 Ca 0.76 0.08 -0.36 0.00 -0.22 0.00 0.00 54.13 54.40 1rtd s LEU 120 Cb -0.41 -2.14 -0.12 0.00 0.50 0.00 0.00 46.19 44.02 1rtd s LEU 120 CO 0.46 0.28 2.00 -0.67 -1.32 0.00 0.00 176.35 177.10 1rtd n ASP 121 N 1.33 2.57 -0.43 3.68 2.03 -1.26 -4.84 116.55 119.62 1rtd n ASP 121 Ca -0.14 0.72 0.35 0.00 0.52 0.00 0.00 54.79 56.25 1rtd n ASP 121 Cb 0.53 -1.26 0.65 0.00 -0.72 0.00 0.00 41.12 40.31 1rtd n ASP 121 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1rtd h GLU 122 N 10.29 0.13 0.03 -0.67 5.08 -1.95 -0.12 114.58 127.36 1rtd h GLU 122 Ca -0.38 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 57.76 1rtd h GLU 122 Cb 1.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1rtd h GLU 122 CO 0.99 0.08 -0.96 -0.44 -1.00 0.00 0.00 179.01 177.67 1rtd h ASP 123 N 0.13 0.28 1.05 1.42 3.32 -1.96 -3.29 116.42 117.38 1rtd h ASP 123 Ca 0.77 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1rtd h ASP 123 Cb 2.44 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.90 1rtd h ASP 123 CO -0.33 1.09 -0.17 0.33 -1.72 0.00 0.00 179.24 178.44 1rtd n PHE 124 N -3.61 0.37 0.28 4.55 7.35 -0.08 -4.26 117.46 122.07 1rtd n PHE 124 Ca -0.04 0.11 0.18 0.00 -0.76 0.00 0.00 57.45 56.93 1rtd n PHE 124 Cb 0.86 -0.62 0.94 0.00 0.35 0.00 0.00 39.48 41.01 1rtd n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1rtd h ARG 125 N 0.00 0.00 -0.67 -4.13 3.08 -1.56 -3.09 114.38 108.01 1rtd h ARG 125 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1rtd h ARG 125 Cb 0.61 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1rtd h ARG 125 CO 0.00 0.00 0.11 0.87 -1.07 0.00 0.00 179.97 179.88 1rtd h LYS 126 N 0.00 1.11 -0.00 0.04 1.57 -1.85 -3.03 116.57 114.41 1rtd h LYS 126 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1rtd h LYS 126 Cb 0.15 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1rtd h LYS 126 CO 0.00 1.01 -0.01 0.66 -0.57 0.00 0.00 179.45 180.55 1rtd n TYR 127 N -4.22 0.00 -0.71 -1.35 4.01 -1.17 -3.25 117.16 110.47 1rtd n TYR 127 Ca 0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.68 1rtd n TYR 127 Cb 0.29 -0.36 0.21 0.00 -0.31 0.00 0.00 39.34 39.17 1rtd n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1rtd n THR 128 N -1.36 2.60 -2.73 -0.72 -2.24 -1.14 -4.76 114.28 103.91 1rtd n THR 128 Ca 0.11 -1.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.08 1rtd n THR 128 Cb 0.28 -0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1rtd n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rtd s ALA 129 N -2.58 3.27 0.21 6.98 0.00 -1.20 -3.22 121.76 125.22 1rtd s ALA 129 Ca 0.45 0.59 0.03 0.00 0.00 0.00 0.00 51.96 53.03 1rtd s ALA 129 Cb 0.37 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 1rtd s ALA 129 CO 0.10 0.04 0.11 1.97 0.00 0.00 0.00 175.76 177.98 1rtd n PHE 130 N 2.44 -0.12 -3.72 0.00 -1.74 -0.19 -2.14 117.46 111.99 1rtd n PHE 130 Ca 0.01 -1.49 -0.12 0.00 -0.56 0.00 0.00 57.45 55.29 1rtd n PHE 130 Cb 0.49 0.06 -0.13 0.00 1.52 0.00 0.00 39.48 41.42 1rtd n PHE 130 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1rtd s THR 131 N -2.53 -0.04 -0.35 1.97 2.01 -1.24 -4.15 115.64 111.30 1rtd s THR 131 Ca 0.16 0.14 -0.13 0.00 0.31 0.00 0.00 61.69 62.16 1rtd s THR 131 Cb 0.01 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1rtd s THR 131 CO 0.11 0.06 0.25 -0.63 -0.69 0.00 0.00 174.62 173.72 1rtd s ILE 132 N 1.30 5.25 0.59 1.82 -1.09 -1.11 -4.71 121.20 123.26 1rtd s ILE 132 Ca -0.09 -0.31 -0.16 0.00 -2.23 0.00 0.00 60.65 57.86 1rtd s ILE 132 Cb -0.10 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1rtd s ILE 132 CO -0.09 -0.07 1.06 -2.16 -1.23 0.00 0.00 174.94 172.45 1rtd s PRO 133 N 1.71 3.35 1.12 2.79 0.04 -1.26 -3.32 135.00 139.43 1rtd s PRO 133 Ca 0.06 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 1rtd s PRO 133 Cb -0.18 -2.04 0.26 0.00 0.04 0.00 0.00 34.50 32.58 1rtd s PRO 133 CO 0.10 -0.79 1.17 -1.54 0.04 0.00 0.00 177.00 175.98 1rtd s SER 134 N -2.75 1.63 0.41 6.66 1.04 -1.26 -4.96 113.70 114.47 1rtd s SER 134 Ca 0.64 0.54 0.10 0.00 0.48 0.00 0.00 55.95 57.71 1rtd s SER 134 Cb -0.16 -0.74 0.86 0.00 0.10 0.00 0.00 66.02 66.08 1rtd s SER 134 CO 0.36 -3.67 1.98 0.40 0.98 0.00 0.00 173.24 173.29 1rtd h ILE 135 N -2.28 1.14 0.00 -1.02 5.03 -1.97 -3.33 117.51 115.08 1rtd h ILE 135 Ca -0.45 -0.54 0.00 0.00 -0.12 0.00 0.00 64.86 63.75 1rtd h ILE 135 Cb 1.28 1.02 0.00 0.00 -3.03 0.00 0.00 36.82 36.08 1rtd h ILE 135 CO 0.36 0.18 -0.14 -0.46 -0.68 0.00 0.00 178.15 177.41 1rtd n ASN 136 N -4.36 0.06 -2.88 1.72 0.23 -1.26 -5.03 115.26 103.74 1rtd n ASN 136 Ca -0.00 -1.31 -0.07 0.00 -0.53 0.00 0.00 54.58 52.67 1rtd n ASN 136 Cb 0.20 -0.06 0.01 0.00 -2.08 0.00 0.00 39.78 37.85 1rtd n ASN 136 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1rtd n ASN 137 N -0.02 -7.69 0.00 0.53 3.02 -1.25 -5.06 115.26 104.79 1rtd n ASN 137 Ca 0.00 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 1rtd n ASN 137 Cb 0.55 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 1rtd n ASN 137 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rtd n GLU 138 N 0.18 0.00 0.00 3.52 1.02 -1.26 -5.07 120.64 119.03 1rtd n GLU 138 Ca 0.05 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1rtd n GLU 138 Cb 0.31 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.34 1rtd n GLU 138 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1rtd n THR 139 N -2.10 0.00 -2.36 2.62 -1.04 -1.26 -5.10 114.28 105.04 1rtd n THR 139 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1rtd n THR 139 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1rtd n THR 139 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1rtd s PRO 140 N 1.18 3.52 0.80 -2.82 0.04 -1.26 -4.92 135.00 131.54 1rtd s PRO 140 Ca 0.00 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 1rtd s PRO 140 Cb 0.00 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1rtd s PRO 140 CO 0.00 -0.70 1.17 0.20 0.04 0.00 0.00 177.00 177.71 1rtd s GLY 141 N -1.84 1.59 0.15 0.56 0.00 -1.26 -4.96 107.32 101.57 1rtd s GLY 141 Ca 0.71 -0.63 -0.30 0.00 0.00 0.00 0.00 44.72 44.50 1rtd s GLY 141 CO 0.24 -0.15 1.26 -0.42 0.00 0.00 0.00 173.10 174.03 1rtd s ILE 142 N -3.56 3.52 0.00 0.90 -1.09 -1.21 -4.89 121.20 114.86 1rtd s ILE 142 Ca 0.62 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 60.23 1rtd s ILE 142 Cb -0.11 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1rtd s ILE 142 CO 0.49 0.15 0.23 0.54 -1.23 0.00 0.00 174.94 175.12 1rtd n ARG 143 N 3.03 0.00 -0.96 2.79 1.74 -1.26 -2.73 116.66 119.27 1rtd n ARG 143 Ca 0.07 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1rtd n ARG 143 Cb 0.44 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 1rtd n ARG 143 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rtd n TYR 144 N -0.60 -2.64 -4.40 -1.55 4.01 -1.26 -3.69 117.16 107.03 1rtd n TYR 144 Ca 0.00 1.41 -0.21 0.00 -0.16 0.00 0.00 57.90 58.94 1rtd n TYR 144 Cb 0.00 -2.52 -0.09 0.00 -0.31 0.00 0.00 39.34 36.41 1rtd n TYR 144 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1rtd s GLN 145 N -4.61 1.67 -0.09 -0.72 -2.07 0.09 -1.02 119.66 112.91 1rtd s GLN 145 Ca 0.00 -1.97 -0.06 0.00 -1.82 0.00 0.00 55.36 51.52 1rtd s GLN 145 Cb 0.00 -0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 31.50 1rtd s GLN 145 CO 0.00 -0.40 0.14 0.71 -1.32 0.00 0.00 175.29 174.42 1rtd s TYR 146 N -3.47 3.55 -0.31 9.60 2.02 -1.20 -1.55 117.35 126.00 1rtd s TYR 146 Ca 0.33 0.46 0.07 0.00 -0.37 0.00 0.00 57.07 57.56 1rtd s TYR 146 Cb 0.05 -1.90 -0.07 0.00 -0.40 0.00 0.00 41.96 39.64 1rtd s TYR 146 CO 0.16 0.70 0.28 0.09 -1.57 0.00 0.00 175.55 175.21 1rtd n ASN 147 N 1.72 0.43 -4.64 2.29 3.02 -0.38 -4.66 115.26 113.04 1rtd n ASN 147 Ca -0.18 -0.63 -0.32 0.00 -0.03 0.00 0.00 54.58 53.42 1rtd n ASN 147 Cb 0.54 1.01 -0.07 0.00 -0.61 0.00 0.00 39.78 40.65 1rtd n ASN 147 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rtd s VAL 148 N -1.66 1.00 -0.34 2.41 0.11 -0.94 -1.49 120.40 119.48 1rtd s VAL 148 Ca 0.02 -2.00 -0.29 0.00 -2.93 0.00 0.00 61.98 56.78 1rtd s VAL 148 Cb 0.05 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 1rtd s VAL 148 CO 0.28 0.00 1.34 -0.22 -3.33 0.00 0.00 175.10 173.16 1rtd s LEU 149 N -3.84 3.79 0.35 2.54 2.96 -0.23 -4.41 118.68 119.84 1rtd s LEU 149 Ca 0.07 1.08 -0.26 0.00 -0.22 0.00 0.00 54.13 54.80 1rtd s LEU 149 Cb 0.01 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.07 1rtd s LEU 149 CO 0.04 -1.20 1.07 -2.16 -1.32 0.00 0.00 176.35 172.79 1rtd s PRO 150 N 4.42 4.37 -0.60 0.98 0.04 -1.26 -4.36 135.00 138.58 1rtd s PRO 150 Ca 0.58 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 63.00 1rtd s PRO 150 Cb -0.16 -2.83 0.04 0.00 0.04 0.00 0.00 34.50 31.59 1rtd s PRO 150 CO 0.26 0.01 1.12 -0.65 0.04 0.00 0.00 177.00 177.79 1rtd s GLN 151 N -2.03 3.39 0.00 4.56 -0.21 -1.26 -3.60 119.66 120.52 1rtd s GLN 151 Ca 0.52 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.87 1rtd s GLN 151 Cb -0.27 -4.06 0.00 0.00 1.00 0.00 0.00 33.01 29.68 1rtd s GLN 151 CO 0.34 -1.70 0.00 0.41 -2.12 0.00 0.00 175.29 172.21 1rtd n GLY 152 N 5.14 0.39 3.85 3.09 0.00 -1.26 -2.46 105.19 113.94 1rtd n GLY 152 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1rtd n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rtd s TRP 153 N -1.33 3.66 0.45 1.61 -0.00 -1.24 -4.25 118.94 117.84 1rtd s TRP 153 Ca 0.00 0.76 0.23 0.00 -0.00 0.00 0.00 56.10 57.09 1rtd s TRP 153 Cb 0.00 -2.12 1.22 0.00 -0.00 0.00 0.00 33.47 32.57 1rtd s TRP 153 CO 0.00 0.68 1.84 -0.22 -0.00 0.00 0.00 176.95 179.25 1rtd h LYS 154 N 4.89 0.27 0.00 5.86 3.11 -1.93 -2.33 116.57 126.44 1rtd h LYS 154 Ca -0.53 -0.02 -0.12 0.00 -2.81 0.00 0.00 60.65 57.17 1rtd h LYS 154 Cb 1.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.37 1rtd h LYS 154 CO 0.60 0.18 -0.73 0.78 -2.81 0.00 0.00 179.45 177.47 1rtd h GLY 155 N 0.27 0.00 0.19 5.01 0.00 -1.94 -3.41 103.07 103.19 1rtd h GLY 155 Ca 0.49 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.90 1rtd h GLY 155 CO -0.15 0.00 -0.12 1.76 0.00 0.00 0.00 176.54 178.03 1rtd h SER 156 N 0.00 -0.44 -0.26 0.19 0.02 -1.70 -2.31 113.55 109.06 1rtd h SER 156 Ca -0.04 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1rtd h SER 156 Cb 1.45 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 1rtd h SER 156 CO 0.06 -0.16 0.05 -0.65 -1.14 0.00 0.00 176.83 175.00 1rtd h PRO 157 N -0.04 0.42 -0.83 3.45 0.11 -1.79 -1.39 132.00 131.92 1rtd h PRO 157 Ca 0.18 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1rtd h PRO 157 Cb 0.32 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 1rtd h PRO 157 CO -0.41 0.53 0.42 0.00 -0.21 0.00 0.00 178.00 178.33 1rtd h ALA 158 N 0.87 1.17 -0.26 -0.75 0.00 -1.83 -1.35 119.26 117.10 1rtd h ALA 158 Ca 0.08 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1rtd h ALA 158 Cb 0.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1rtd h ALA 158 CO 0.00 0.64 -0.15 0.82 0.00 0.00 0.00 179.25 180.56 1rtd h ILE 159 N 1.18 1.30 0.30 0.00 2.04 -1.32 -2.66 117.51 118.35 1rtd h ILE 159 Ca 0.29 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1rtd h ILE 159 Cb 0.09 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1rtd h ILE 159 CO -0.04 0.40 -0.14 0.15 0.00 0.00 0.00 178.15 178.51 1rtd h PHE 160 N 0.30 -0.37 -0.84 1.37 3.57 -1.01 0.11 116.94 120.06 1rtd h PHE 160 Ca 0.06 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1rtd h PHE 160 Cb 0.68 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 1rtd h PHE 160 CO 0.07 -0.16 0.50 1.96 -2.23 0.00 0.00 178.31 178.44 1rtd h GLN 161 N -0.51 0.87 -0.38 1.11 4.20 -1.34 0.45 115.11 119.52 1rtd h GLN 161 Ca -0.04 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1rtd h GLN 161 Cb 0.38 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1rtd h GLN 161 CO 0.07 0.57 -0.20 1.03 -0.67 0.00 0.00 178.83 179.63 1rtd h SER 162 N 0.89 0.73 1.00 1.46 0.87 -1.33 -0.93 113.55 116.24 1rtd h SER 162 Ca 0.38 -0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1rtd h SER 162 Cb 0.24 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1rtd h SER 162 CO -0.20 0.92 -0.55 0.28 -0.53 0.00 0.00 176.83 176.76 1rtd h SER 163 N 0.64 0.00 0.39 6.23 0.02 0.17 -2.82 113.55 118.18 1rtd h SER 163 Ca 0.09 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.84 1rtd h SER 163 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1rtd h SER 163 CO 0.05 0.55 -0.86 -0.03 -1.14 0.00 0.00 176.83 175.40 1rtd h MET 164 N 0.00 0.34 -0.25 3.45 -1.53 0.33 -2.89 114.93 114.38 1rtd h MET 164 Ca -0.01 -0.34 -0.15 0.00 -3.44 0.00 0.00 59.70 55.77 1rtd h MET 164 Cb 1.19 0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 32.33 1rtd h MET 164 CO 0.07 1.02 -0.45 1.15 0.14 0.00 0.00 176.91 178.84 1rtd h THR 165 N 0.20 1.30 0.00 -0.77 2.02 -1.06 -1.99 112.91 112.62 1rtd h THR 165 Ca -0.05 -1.64 -0.04 0.00 0.77 0.00 0.00 66.41 65.44 1rtd h THR 165 Cb 1.47 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1rtd h THR 165 CO 0.14 0.52 -0.18 0.11 0.37 0.00 0.00 175.52 176.48 1rtd h LYS 166 N 0.51 0.00 0.07 6.66 1.57 -1.50 -1.72 116.57 122.17 1rtd h LYS 166 Ca 0.03 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 1rtd h LYS 166 Cb 0.99 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.31 1rtd h LYS 166 CO 0.09 0.18 -0.82 0.82 -0.57 0.00 0.00 179.45 179.15 1rtd h ILE 167 N 0.00 1.41 -0.01 1.86 2.04 -1.30 -3.31 117.51 118.20 1rtd h ILE 167 Ca -0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 1rtd h ILE 167 Cb 0.82 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 1rtd h ILE 167 CO 0.02 0.67 -0.10 0.18 0.00 0.00 0.00 178.15 178.93 1rtd n LEU 168 N -4.09 0.74 -0.12 1.44 4.77 -0.76 -4.10 117.00 114.88 1rtd n LEU 168 Ca -0.12 -0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 55.59 1rtd n LEU 168 Cb 0.79 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 1rtd n LEU 168 CO 0.50 0.13 0.73 -0.08 -1.33 0.00 0.00 177.39 177.35 1rtd h GLU 169 N 1.01 0.64 -0.32 3.23 4.81 -1.40 -2.67 114.58 119.87 1rtd h GLU 169 Ca 0.00 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 58.86 1rtd h GLU 169 Cb 0.37 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1rtd h GLU 169 CO 0.00 0.80 -0.35 -1.35 -0.73 0.00 0.00 179.01 177.37 1rtd h PRO 170 N 0.43 0.73 -0.47 0.92 0.11 -1.77 -3.00 132.00 128.95 1rtd h PRO 170 Ca 0.09 -0.36 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 1rtd h PRO 170 Cb 0.54 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1rtd h PRO 170 CO 0.03 0.97 -0.02 0.35 -0.21 0.00 0.00 178.00 179.12 1rtd h PHE 171 N 0.61 0.93 -0.02 0.65 3.57 -1.78 -3.03 116.94 117.87 1rtd h PHE 171 Ca 0.06 -0.17 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 1rtd h PHE 171 Cb 0.88 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1rtd h PHE 171 CO 0.04 0.89 -0.20 0.00 -2.23 0.00 0.00 178.31 176.81 1rtd h ARG 172 N 0.70 0.03 -0.44 1.11 3.08 -1.48 -1.77 114.38 115.61 1rtd h ARG 172 Ca 0.13 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1rtd h ARG 172 Cb 0.53 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1rtd h ARG 172 CO 0.03 0.24 0.12 0.87 -1.07 0.00 0.00 179.97 180.15 1rtd h LYS 173 N 0.03 0.69 0.00 0.04 1.57 -1.40 -2.34 116.57 115.17 1rtd h LYS 173 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1rtd h LYS 173 Cb 0.38 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1rtd h LYS 173 CO 0.03 0.68 0.00 1.04 -0.57 0.00 0.00 179.45 180.63 1rtd n GLN 174 N -4.54 0.10 -3.12 3.15 6.02 -0.98 -4.21 117.38 113.80 1rtd n GLN 174 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1rtd n GLN 174 Cb 0.20 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.92 1rtd n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1rtd n ASN 175 N -1.45 -0.18 0.28 1.08 3.02 -0.70 -5.01 115.26 112.30 1rtd n ASN 175 Ca 0.09 -2.87 0.15 0.00 -0.03 0.00 0.00 54.58 51.92 1rtd n ASN 175 Cb 0.31 -0.23 0.82 0.00 -0.61 0.00 0.00 39.78 40.08 1rtd n ASN 175 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1rtd h PRO 176 N 3.77 0.00 0.00 3.52 0.11 -1.60 -2.76 132.00 135.04 1rtd h PRO 176 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1rtd h PRO 176 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1rtd h PRO 176 CO 0.44 0.07 -0.24 -0.25 -0.21 0.00 0.00 178.00 177.81 1rtd n ASP 177 N -3.48 0.42 -4.67 -2.05 8.00 -1.26 -4.81 116.55 108.70 1rtd n ASP 177 Ca -0.02 0.25 -0.40 0.00 0.71 0.00 0.00 54.79 55.34 1rtd n ASP 177 Cb 0.21 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1rtd n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rtd s ILE 178 N -3.05 5.05 -0.43 0.53 1.01 -1.04 -4.67 121.20 118.60 1rtd s ILE 178 Ca 0.11 1.16 -0.19 0.00 0.00 0.00 0.00 60.65 61.73 1rtd s ILE 178 Cb 0.16 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1rtd s ILE 178 CO 0.62 0.15 0.55 -0.69 0.00 0.00 0.00 174.94 175.57 1rtd s VAL 179 N 1.67 4.95 -0.58 2.92 1.01 -0.85 -4.97 120.40 124.56 1rtd s VAL 179 Ca 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 1rtd s VAL 179 Cb -0.16 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 32.24 1rtd s VAL 179 CO 0.11 -0.52 0.39 -0.63 0.00 0.00 0.00 175.10 174.45 1rtd s ILE 180 N 2.49 3.67 -0.49 2.22 1.01 -1.26 -0.59 121.20 128.26 1rtd s ILE 180 Ca 0.18 -2.71 -0.28 0.00 0.00 0.00 0.00 60.65 57.83 1rtd s ILE 180 Cb -0.15 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.89 1rtd s ILE 180 CO 0.16 -0.84 1.63 -0.31 0.00 0.00 0.00 174.94 175.59 1rtd s TYR 181 N 0.25 2.01 -0.25 3.97 1.51 0.68 -4.87 117.35 120.66 1rtd s TYR 181 Ca 0.15 0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 56.76 1rtd s TYR 181 Cb -0.21 -4.23 -0.02 0.00 -0.11 0.00 0.00 41.96 37.39 1rtd s TYR 181 CO -0.04 -2.33 0.05 1.14 -1.11 0.00 0.00 175.55 173.27 1rtd s GLN 182 N 5.84 3.50 -0.25 -0.62 -2.07 -1.26 -0.58 119.66 124.23 1rtd s GLN 182 Ca 0.65 -0.57 0.01 0.00 -1.82 0.00 0.00 55.36 53.63 1rtd s GLN 182 Cb -0.15 -3.28 0.06 0.00 -1.09 0.00 0.00 33.01 28.55 1rtd s GLN 182 CO 0.27 -0.24 -0.04 -0.47 -1.32 0.00 0.00 175.29 173.49 1rtd s TYR 183 N 1.57 2.48 0.00 9.60 5.04 -0.72 -5.02 117.35 130.30 1rtd s TYR 183 Ca 0.06 -1.85 0.00 0.00 -2.44 0.00 0.00 57.07 52.83 1rtd s TYR 183 Cb -0.15 -1.68 0.00 0.00 0.35 0.00 0.00 41.96 40.48 1rtd s TYR 183 CO 0.02 -0.79 0.00 -1.33 -1.34 0.00 0.00 175.55 172.11 1rtd n MET 184 N 4.64 0.00 0.00 4.97 2.81 -1.26 -1.26 117.12 127.02 1rtd n MET 184 Ca -0.11 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.81 1rtd n MET 184 Cb 0.44 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.96 1rtd n MET 184 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1rtd n ASP 185 N 8.70 1.26 -4.47 7.83 5.75 -1.26 -4.83 116.55 129.52 1rtd n ASP 185 Ca 0.00 -1.13 -0.43 0.00 -0.01 0.00 0.00 54.79 53.22 1rtd n ASP 185 Cb 0.00 0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 1rtd n ASP 185 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1rtd s ASP 186 N -0.53 6.24 -0.30 -1.12 2.15 -0.39 -1.99 116.67 120.73 1rtd s ASP 186 Ca 0.05 -0.76 -0.06 0.00 0.43 0.00 0.00 52.55 52.22 1rtd s ASP 186 Cb 0.04 -2.40 0.02 0.00 -0.30 0.00 0.00 42.92 40.28 1rtd s ASP 186 CO 0.08 -1.27 0.07 -0.76 -0.17 0.00 0.00 175.17 173.11 1rtd s LEU 187 N 3.76 3.88 -0.47 -1.34 1.43 -0.47 -1.75 118.68 123.71 1rtd s LEU 187 Ca 0.24 -0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 1rtd s LEU 187 Cb -0.16 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1rtd s LEU 187 CO 0.14 -0.22 0.68 -0.47 0.23 0.00 0.00 176.35 176.71 1rtd s TYR 188 N 1.45 3.02 -0.26 0.29 6.14 0.25 -1.58 117.35 126.67 1rtd s TYR 188 Ca 0.01 -0.18 -0.10 0.00 0.64 0.00 0.00 57.07 57.44 1rtd s TYR 188 Cb -0.18 -3.50 -0.04 0.00 0.42 0.00 0.00 41.96 38.66 1rtd s TYR 188 CO 0.02 -0.98 0.15 0.08 0.64 0.00 0.00 175.55 175.46 1rtd s VAL 189 N 2.92 5.08 -0.03 3.14 1.01 -0.95 -0.23 120.40 131.35 1rtd s VAL 189 Ca 0.22 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1rtd s VAL 189 Cb -0.15 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1rtd s VAL 189 CO 0.17 0.30 -0.07 -0.83 0.00 0.00 0.00 175.10 174.67 1rtd s GLY 190 N 1.50 0.48 0.24 4.51 0.00 0.24 -1.92 107.32 112.38 1rtd s GLY 190 Ca 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.57 1rtd s GLY 190 CO 0.08 0.06 0.06 -1.35 0.00 0.00 0.00 173.10 171.94 1rtd s SER 191 N 0.37 1.41 -0.06 1.64 1.04 0.02 -2.00 113.70 116.12 1rtd s SER 191 Ca -0.05 -1.31 0.21 0.00 0.48 0.00 0.00 55.95 55.27 1rtd s SER 191 Cb -0.10 0.11 0.70 0.00 0.10 0.00 0.00 66.02 66.83 1rtd s SER 191 CO 0.00 -0.65 1.60 0.47 0.98 0.00 0.00 173.24 175.64 1rtd n ASP 192 N -0.43 4.41 -4.91 7.02 8.00 -1.26 -2.13 116.55 127.25 1rtd n ASP 192 Ca -0.02 -2.22 -0.28 0.00 0.71 0.00 0.00 54.79 52.98 1rtd n ASP 192 Cb 0.65 -0.54 0.05 0.00 -0.02 0.00 0.00 41.12 41.26 1rtd n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rtd s LEU 193 N -1.41 2.94 0.28 0.64 1.43 -1.26 -4.86 118.68 116.44 1rtd s LEU 193 Ca 0.51 0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 54.15 1rtd s LEU 193 Cb 0.30 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.86 1rtd s LEU 193 CO 0.30 -1.38 0.96 -1.61 0.23 0.00 0.00 176.35 174.85 1rtd s GLU 194 N -5.25 4.71 0.30 1.70 0.41 -1.26 -4.35 118.70 114.95 1rtd s GLU 194 Ca 0.58 1.45 0.16 0.00 -0.41 0.00 0.00 54.97 56.75 1rtd s GLU 194 Cb -0.11 -3.06 1.07 0.00 -1.78 0.00 0.00 34.13 30.25 1rtd s GLU 194 CO 0.48 0.38 1.27 -0.89 -0.49 0.00 0.00 175.26 176.01 1rtd n ILE 195 N 1.05 -0.34 -0.04 -1.63 5.41 -1.26 -0.37 119.36 122.18 1rtd n ILE 195 Ca -0.00 1.64 -0.15 0.00 1.00 0.00 0.00 62.75 65.24 1rtd n ILE 195 Cb 0.48 -2.65 -0.09 0.00 -0.71 0.00 0.00 39.64 36.67 1rtd n ILE 195 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1rtd h GLY 196 N 0.00 0.41 2.00 7.39 0.00 -1.99 -2.27 103.07 108.61 1rtd h GLY 196 Ca 0.68 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1rtd h GLY 196 CO -0.62 0.48 -0.24 1.46 0.00 0.00 0.00 176.54 177.62 1rtd h GLN 197 N -0.08 0.00 0.15 4.80 4.20 -1.09 -3.00 115.11 120.09 1rtd h GLN 197 Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1rtd h GLN 197 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1rtd h GLN 197 CO 0.06 0.24 -0.07 1.25 -0.67 0.00 0.00 178.83 179.64 1rtd h HIS 198 N 0.00 -0.19 -0.02 2.96 2.76 -0.81 -3.18 115.15 116.66 1rtd h HIS 198 Ca -0.00 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1rtd h HIS 198 Cb 0.84 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.86 1rtd h HIS 198 CO 0.00 0.24 0.25 0.00 -1.30 0.00 0.00 177.93 177.12 1rtd h ARG 199 N -0.89 0.00 0.10 5.26 3.08 -1.35 -1.35 114.38 119.23 1rtd h ARG 199 Ca -0.02 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 1rtd h ARG 199 Cb 0.51 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.58 1rtd h ARG 199 CO 0.03 0.00 -0.79 1.15 -1.07 0.00 0.00 179.97 179.29 1rtd h THR 200 N 0.00 1.47 -0.30 2.04 2.02 -1.54 -2.94 112.91 113.66 1rtd h THR 200 Ca 0.01 -2.40 -0.07 0.00 0.77 0.00 0.00 66.41 64.72 1rtd h THR 200 Cb 0.51 3.00 -0.02 0.00 -1.74 0.00 0.00 68.15 69.91 1rtd h THR 200 CO -0.00 0.69 -0.11 0.11 0.37 0.00 0.00 175.52 176.58 1rtd h LYS 201 N -0.25 0.51 -0.33 6.66 1.79 -1.25 -0.95 116.57 122.76 1rtd h LYS 201 Ca -0.13 -0.14 -0.07 0.00 -2.18 0.00 0.00 60.65 58.13 1rtd h LYS 201 Cb 1.58 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.15 1rtd h LYS 201 CO 0.15 0.61 -0.11 0.82 -1.08 0.00 0.00 179.45 179.85 1rtd h ILE 202 N 0.47 1.23 0.00 1.86 1.08 -1.50 0.73 117.51 121.38 1rtd h ILE 202 Ca 0.09 -1.03 -0.07 0.00 -0.39 0.00 0.00 64.86 63.46 1rtd h ILE 202 Cb 0.47 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1rtd h ILE 202 CO 0.03 0.34 -0.34 -0.33 -0.69 0.00 0.00 178.15 177.16 1rtd h GLU 203 N 0.52 0.00 0.02 2.37 5.08 -1.18 0.25 114.58 121.65 1rtd h GLU 203 Ca 0.10 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.21 1rtd h GLU 203 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1rtd h GLU 203 CO 0.03 0.34 -1.01 0.93 -1.00 0.00 0.00 179.01 178.30 1rtd h GLU 204 N 0.00 0.45 -0.23 2.33 5.08 0.22 -1.43 114.58 120.99 1rtd h GLU 204 Ca -0.00 -0.51 -0.18 0.00 -1.00 0.00 0.00 59.36 57.66 1rtd h GLU 204 Cb 1.14 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1rtd h GLU 204 CO 0.04 1.17 -0.57 1.25 -1.00 0.00 0.00 179.01 179.90 1rtd h LEU 205 N 0.24 0.82 -0.21 1.33 7.12 0.60 0.21 115.31 125.41 1rtd h LEU 205 Ca -0.10 -0.45 -0.04 0.00 0.13 0.00 0.00 57.88 57.43 1rtd h LEU 205 Cb 1.66 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.55 1rtd h LEU 205 CO 0.18 1.21 -0.01 -0.09 -0.13 0.00 0.00 178.44 179.60 1rtd h ARG 206 N 0.56 0.38 -0.59 1.25 2.43 -0.44 -0.13 114.38 117.84 1rtd h ARG 206 Ca 0.01 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1rtd h ARG 206 Cb 1.15 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1rtd h ARG 206 CO 0.12 0.59 0.08 0.37 -1.51 0.00 0.00 179.97 179.62 1rtd h GLN 207 N 0.13 0.96 -0.20 0.20 5.75 -1.19 -0.46 115.11 120.30 1rtd h GLN 207 Ca 0.06 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.31 1rtd h GLN 207 Cb 0.43 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1rtd h GLN 207 CO 0.01 0.90 0.13 1.25 -2.65 0.00 0.00 178.83 178.47 1rtd h HIS 208 N 0.91 0.27 -0.16 3.99 2.76 -0.71 -1.55 115.15 120.65 1rtd h HIS 208 Ca 0.18 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1rtd h HIS 208 Cb 0.42 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1rtd h HIS 208 CO 0.03 0.21 -0.21 -0.07 -1.30 0.00 0.00 177.93 176.59 1rtd h LEU 209 N 0.25 0.27 -0.56 0.26 3.38 -0.40 -2.77 115.31 115.75 1rtd h LEU 209 Ca 0.07 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1rtd h LEU 209 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1rtd h LEU 209 CO -0.01 0.49 -0.37 0.25 0.09 0.00 0.00 178.44 178.89 1rtd h LEU 210 N 0.26 0.00 -1.09 1.67 5.85 -0.48 -0.13 115.31 121.40 1rtd h LEU 210 Ca 0.05 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1rtd h LEU 210 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1rtd h LEU 210 CO 0.03 0.37 -0.34 0.03 -0.34 0.00 0.00 178.44 178.19 1rtd h ARG 211 N 0.00 0.00 -0.29 1.25 3.08 -1.02 -2.78 114.38 114.63 1rtd h ARG 211 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rtd h ARG 211 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1rtd h ARG 211 CO 0.05 0.34 0.00 0.91 -1.07 0.00 0.00 179.97 180.20 1rtd n TRP 212 N -3.60 0.37 0.00 3.04 7.02 -0.99 -4.80 117.44 118.49 1rtd n TRP 212 Ca -0.01 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1rtd n TRP 212 Cb 0.46 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 1rtd n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rtd n GLY 213 N 1.25 2.19 3.53 6.99 0.00 -1.05 -4.08 105.19 114.03 1rtd n GLY 213 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1rtd n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rtd s LEU 214 N 0.00 4.12 0.32 0.99 1.43 -0.09 -4.59 118.68 120.86 1rtd s LEU 214 Ca 0.00 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 1rtd s LEU 214 Cb 0.00 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.21 1rtd s LEU 214 CO 0.00 -1.14 0.74 -0.89 0.23 0.00 0.00 176.35 175.29 1rtd s THR 215 N 3.78 4.67 -0.33 5.49 2.01 -1.26 -2.72 115.64 127.28 1rtd s THR 215 Ca 0.31 0.98 0.01 0.00 0.31 0.00 0.00 61.69 63.30 1rtd s THR 215 Cb -0.12 -3.62 0.10 0.00 0.01 0.00 0.00 72.50 68.87 1rtd s THR 215 CO 0.21 -0.17 0.10 -0.89 -0.69 0.00 0.00 174.62 173.18 1rtd s THR 216 N -1.97 1.30 1.10 -0.82 2.01 -1.26 -2.17 115.64 113.82 1rtd s THR 216 Ca 0.54 -1.74 -0.16 0.00 0.31 0.00 0.00 61.69 60.63 1rtd s THR 216 Cb -0.10 -1.97 0.24 0.00 0.01 0.00 0.00 72.50 70.67 1rtd s THR 216 CO 0.17 -0.67 1.12 -2.84 -0.69 0.00 0.00 174.62 171.71 1rtd s PRO 217 N 1.33 -0.40 -1.51 4.92 0.02 -1.26 -4.89 135.00 133.21 1rtd s PRO 217 Ca 0.11 0.12 -0.09 0.00 0.02 0.00 0.00 61.00 61.15 1rtd s PRO 217 Cb -0.18 -1.68 -0.01 0.00 0.02 0.00 0.00 34.50 32.65 1rtd s PRO 217 CO -0.19 -3.20 2.69 -0.25 -0.33 0.00 0.00 177.00 175.72 1rtd n ASP 218 N -4.43 8.02 -2.70 2.53 8.00 -1.26 -3.68 116.55 123.03 1rtd n ASP 218 Ca 0.10 -2.78 -0.06 0.00 0.71 0.00 0.00 54.79 52.76 1rtd n ASP 218 Cb 0.59 -1.51 0.10 0.00 -0.02 0.00 0.00 41.12 40.28 1rtd n ASP 218 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1rtd n LYS 219 N 3.24 1.28 -5.19 -1.24 4.81 -1.26 -5.09 118.16 114.72 1rtd n LYS 219 Ca 0.70 -2.16 -0.32 0.00 -0.87 0.00 0.00 58.31 55.66 1rtd n LYS 219 Cb 0.25 -0.35 -0.16 0.00 0.02 0.00 0.00 35.03 34.79 1rtd n LYS 219 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1rtd s LYS 220 N -0.93 2.72 -0.76 1.64 0.00 -1.24 -4.61 119.74 116.56 1rtd s LYS 220 Ca 0.21 -0.87 -0.26 0.00 0.00 0.00 0.00 55.97 55.05 1rtd s LYS 220 Cb 0.42 -2.25 -0.01 0.00 0.00 0.00 0.00 37.83 35.99 1rtd s LYS 220 CO -0.07 0.34 1.73 -1.01 0.00 0.00 0.00 175.35 176.35 1rtd s HIS 221 N -0.06 1.91 0.00 1.78 3.76 0.07 -4.94 115.29 117.82 1rtd s HIS 221 Ca -0.06 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 1rtd s HIS 221 Cb -0.15 -4.24 0.00 0.00 1.11 0.00 0.00 32.58 29.30 1rtd s HIS 221 CO 0.05 -2.08 0.01 0.94 -0.85 0.00 0.00 174.74 172.81 1rtd n GLN 222 N 9.10 0.00 -2.76 1.40 7.27 -1.26 -2.56 117.38 128.57 1rtd n GLN 222 Ca 0.24 0.01 -0.04 0.00 0.07 0.00 0.00 57.00 57.28 1rtd n GLN 222 Cb 0.50 -0.51 0.05 0.00 2.41 0.00 0.00 30.24 32.69 1rtd n GLN 222 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1rtd n LYS 223 N -0.02 1.47 -3.06 3.69 3.00 -1.26 -4.30 118.16 117.68 1rtd n LYS 223 Ca 0.00 -3.26 -0.42 0.00 -0.00 0.00 0.00 58.31 54.63 1rtd n LYS 223 Cb 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 35.03 33.63 1rtd n LYS 223 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1rtd s GLU 224 N -3.26 3.76 0.33 1.64 2.02 -1.26 -5.00 118.70 116.92 1rtd s GLU 224 Ca 0.26 0.20 0.11 0.00 0.02 0.00 0.00 54.97 55.56 1rtd s GLU 224 Cb 0.38 -3.79 0.94 0.00 0.10 0.00 0.00 34.13 31.76 1rtd s GLU 224 CO -0.01 -0.73 1.72 -1.35 0.02 0.00 0.00 175.26 174.90 1rtd h PRO 225 N 8.39 0.51 -5.01 0.39 0.11 -1.97 -3.30 132.00 131.11 1rtd h PRO 225 Ca -0.26 -0.03 -0.71 0.00 0.11 0.00 0.00 66.00 65.11 1rtd h PRO 225 Cb 1.11 -0.11 -0.16 0.00 0.11 0.00 0.00 31.00 31.94 1rtd h PRO 225 CO 0.85 0.33 1.36 -2.14 -0.21 0.00 0.00 178.00 178.20 1rtd s PRO 226 N -5.74 3.95 0.00 1.05 0.02 -1.26 -3.79 135.00 129.24 1rtd s PRO 226 Ca -0.10 -2.27 -0.30 0.00 0.02 0.00 0.00 61.00 58.34 1rtd s PRO 226 Cb 0.28 -5.11 -0.06 0.00 0.02 0.00 0.00 34.50 29.63 1rtd s PRO 226 CO 0.80 -1.85 1.51 -0.06 -0.33 0.00 0.00 177.00 177.07 1rtd s PHE 227 N 2.30 2.57 -1.13 6.54 0.08 -1.09 -4.74 117.98 122.51 1rtd s PHE 227 Ca 0.42 0.57 -0.11 0.00 0.12 0.00 0.00 56.93 57.93 1rtd s PHE 227 Cb -0.02 -3.79 0.24 0.00 -0.57 0.00 0.00 43.02 38.88 1rtd s PHE 227 CO -0.01 -3.09 1.19 -0.51 -0.10 0.00 0.00 175.22 172.70 1rtd s LEU 228 N 2.80 5.96 -0.11 -0.37 1.43 -1.26 -2.21 118.68 124.92 1rtd s LEU 228 Ca 0.68 -3.37 0.02 0.00 -1.03 0.00 0.00 54.13 50.44 1rtd s LEU 228 Cb -0.34 -2.27 -0.00 0.00 0.03 0.00 0.00 46.19 43.61 1rtd s LEU 228 CO 0.28 -0.44 -0.20 0.86 0.23 0.00 0.00 176.35 177.08 1rtd s TRP 229 N -0.32 2.66 -0.85 0.29 -0.00 -1.24 -4.85 118.94 114.63 1rtd s TRP 229 Ca 0.34 -0.93 0.00 0.00 -0.00 0.00 0.00 56.10 55.51 1rtd s TRP 229 Cb -0.08 -1.77 0.00 0.00 -0.00 0.00 0.00 33.47 31.62 1rtd s TRP 229 CO -0.06 -0.36 0.00 -1.33 -0.00 0.00 0.00 176.95 175.20 1rtd n MET 230 N 3.57 -1.94 -0.37 5.86 2.81 -1.26 -2.42 117.12 123.37 1rtd n MET 230 Ca -0.19 0.48 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1rtd n MET 230 Cb 0.53 -4.89 0.00 0.00 -0.71 0.00 0.00 33.22 28.15 1rtd n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rtd n GLY 231 N -0.50 0.81 3.45 3.03 0.00 -1.26 -5.07 105.19 105.65 1rtd n GLY 231 Ca -0.10 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1rtd n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rtd s TYR 232 N -2.00 1.85 -0.15 1.61 1.51 -1.02 -0.91 117.35 118.24 1rtd s TYR 232 Ca 0.00 -1.09 -0.02 0.00 -1.01 0.00 0.00 57.07 54.96 1rtd s TYR 232 Cb 0.00 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 1rtd s TYR 232 CO 0.00 -0.13 -0.10 -1.21 -1.11 0.00 0.00 175.55 173.01 1rtd s GLU 233 N -3.86 3.45 -0.33 -0.62 2.02 -0.76 -3.65 118.70 114.94 1rtd s GLU 233 Ca 0.33 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1rtd s GLU 233 Cb 0.07 -2.75 0.08 0.00 0.10 0.00 0.00 34.13 31.62 1rtd s GLU 233 CO 0.15 0.15 0.04 -0.51 0.02 0.00 0.00 175.26 175.11 1rtd s LEU 234 N 0.54 4.36 0.37 1.80 1.43 -0.94 -2.62 118.68 123.61 1rtd s LEU 234 Ca -0.07 -1.71 -0.08 0.00 -1.03 0.00 0.00 54.13 51.25 1rtd s LEU 234 Cb -0.15 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 1rtd s LEU 234 CO 0.03 -0.34 0.68 -1.00 0.23 0.00 0.00 176.35 175.95 1rtd s HIS 235 N 1.10 3.48 0.43 0.29 3.76 0.13 -2.69 115.29 121.79 1rtd s HIS 235 Ca 0.02 0.85 0.31 0.00 -0.15 0.00 0.00 55.06 56.09 1rtd s HIS 235 Cb -0.20 -2.29 1.69 0.00 1.11 0.00 0.00 32.58 32.89 1rtd s HIS 235 CO -0.04 -0.01 1.94 -1.00 -0.85 0.00 0.00 174.74 174.77 1rtd h PRO 236 N 1.30 0.00 0.00 8.40 0.13 -1.97 -3.00 132.00 136.86 1rtd h PRO 236 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1rtd h PRO 236 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rtd h PRO 236 CO 0.64 0.00 -1.05 -0.40 -0.23 0.00 0.00 178.00 176.97 1rtd n ASP 237 N -2.72 4.82 -2.19 1.44 5.75 -1.26 -4.81 116.55 117.57 1rtd n ASP 237 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.66 1rtd n ASP 237 Cb 0.21 0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 40.91 1rtd n ASP 237 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1rtd n LYS 238 N -1.90 0.26 -3.55 0.11 4.01 -1.13 -4.36 118.16 111.60 1rtd n LYS 238 Ca -0.01 -1.70 -0.15 0.00 -0.51 0.00 0.00 58.31 55.94 1rtd n LYS 238 Cb 0.39 1.35 -0.06 0.00 -0.51 0.00 0.00 35.03 36.20 1rtd n LYS 238 CO 0.00 0.00 0.00 1.67 -1.11 0.00 0.00 177.40 177.96 1rtd s TRP 239 N -2.65 -0.57 0.00 2.13 1.48 -0.96 0.19 118.94 118.56 1rtd s TRP 239 Ca 0.19 1.04 0.00 0.00 -1.06 0.00 0.00 56.10 56.27 1rtd s TRP 239 Cb 0.01 0.41 0.00 0.00 -1.16 0.00 0.00 33.47 32.73 1rtd s TRP 239 CO 0.14 -0.48 0.00 0.25 -4.06 0.00 0.00 176.95 172.79 1rtd n THR 240 N 1.07 0.00 -3.43 0.66 -2.24 -1.08 0.06 114.28 109.33 1rtd n THR 240 Ca -0.15 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.44 1rtd n THR 240 Cb 0.57 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1rtd n THR 240 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1rtd s VAL 241 N -1.68 3.87 0.60 2.28 -7.23 -1.26 -1.84 120.40 115.14 1rtd s VAL 241 Ca 0.00 -1.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.98 1rtd s VAL 241 Cb 0.00 -3.33 -0.03 0.00 0.56 0.00 0.00 36.38 33.58 1rtd s VAL 241 CO 0.00 -0.13 1.08 -1.10 -0.31 0.00 0.00 175.10 174.64 1rtd s GLN 242 N -4.19 3.19 -0.64 4.82 -0.21 -0.09 -4.46 119.66 118.09 1rtd s GLN 242 Ca 0.46 1.31 -0.18 0.00 0.02 0.00 0.00 55.36 56.97 1rtd s GLN 242 Cb -0.09 -2.01 -0.15 0.00 1.00 0.00 0.00 33.01 31.76 1rtd s GLN 242 CO 0.31 -0.93 1.69 -0.35 -2.12 0.00 0.00 175.29 173.89 1rtd n PRO 243 N -2.01 0.00 -2.68 2.91 -0.04 -1.26 -4.83 135.00 127.08 1rtd n PRO 243 Ca 0.10 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 1rtd n PRO 243 Cb 0.52 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1rtd n PRO 243 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1rtd n ILE 244 N 4.66 4.06 -3.04 0.52 0.13 -1.26 -5.00 119.36 119.42 1rtd n ILE 244 Ca 0.42 -4.31 -0.41 0.00 -1.10 0.00 0.00 62.75 57.35 1rtd n ILE 244 Cb 0.03 -2.40 -0.06 0.00 -0.84 0.00 0.00 39.64 36.37 1rtd n ILE 244 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1rtd s VAL 245 N 3.11 4.88 -0.30 9.51 1.01 -1.26 -5.06 120.40 132.28 1rtd s VAL 245 Ca 0.49 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 63.39 1rtd s VAL 245 Cb 0.02 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1rtd s VAL 245 CO 0.04 -0.18 0.17 -0.22 0.00 0.00 0.00 175.10 174.92 1rtd s LEU 246 N 2.75 4.11 0.14 3.92 2.96 -1.26 -5.09 118.68 126.21 1rtd s LEU 246 Ca 0.28 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.53 1rtd s LEU 246 Cb -0.15 -2.05 -0.08 0.00 0.50 0.00 0.00 46.19 44.42 1rtd s LEU 246 CO 0.12 -0.15 1.29 -2.16 -1.32 0.00 0.00 176.35 174.13 1rtd s PRO 247 N 1.67 4.39 -0.24 0.98 0.04 -1.26 -5.03 135.00 135.56 1rtd s PRO 247 Ca 0.06 1.97 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 1rtd s PRO 247 Cb -0.17 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 1rtd s PRO 247 CO 0.08 -0.28 0.01 -2.00 0.04 0.00 0.00 177.00 174.85 1rtd s GLU 248 N 0.46 3.46 0.14 4.56 2.56 -1.26 -5.10 118.70 123.53 1rtd s GLU 248 Ca 0.59 -0.59 -0.05 0.00 0.00 0.00 0.00 54.97 54.92 1rtd s GLU 248 Cb -0.34 -3.15 -0.02 0.00 2.00 0.00 0.00 34.13 32.61 1rtd s GLU 248 CO 0.34 -0.21 0.16 -1.59 -0.56 0.00 0.00 175.26 173.40 1rtd s LYS 249 N 1.53 1.03 -0.11 4.30 -2.85 -1.26 -5.11 119.74 117.27 1rtd s LYS 249 Ca 0.06 -1.30 -0.17 0.00 -1.00 0.00 0.00 55.97 53.55 1rtd s LYS 249 Cb -0.15 0.31 -0.15 0.00 -2.06 0.00 0.00 37.83 35.78 1rtd s LYS 249 CO -0.00 -0.33 0.52 0.38 0.10 0.00 0.00 175.35 176.01 1rtd h ASP 250 N 2.72 -0.03 -3.29 0.03 2.03 -2.06 -3.45 116.42 112.37 1rtd h ASP 250 Ca -0.33 -0.54 -0.62 0.00 -0.73 0.00 0.00 57.03 54.80 1rtd h ASP 250 Cb 1.21 0.01 -0.18 0.00 -0.83 0.00 0.00 39.33 39.54 1rtd h ASP 250 CO 0.54 0.72 -0.60 -0.94 -1.03 0.00 0.00 179.24 177.93 1rtd s SER 251 N -5.86 5.33 0.06 4.15 1.04 -1.26 -5.04 113.70 112.12 1rtd s SER 251 Ca -0.11 0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.40 1rtd s SER 251 Cb -0.01 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 1rtd s SER 251 CO 0.41 0.18 -0.17 0.26 0.98 0.00 0.00 173.24 174.90 1rtd s TRP 252 N 0.35 2.58 0.52 5.02 0.52 -1.26 -5.10 118.94 121.57 1rtd s TRP 252 Ca 0.00 -0.24 0.06 0.00 0.02 0.00 0.00 56.10 55.94 1rtd s TRP 252 Cb -0.13 -1.45 0.06 0.00 -1.15 0.00 0.00 33.47 30.80 1rtd s TRP 252 CO 0.01 0.29 0.47 0.25 0.02 0.00 0.00 176.95 178.00 1rtd n THR 253 N 1.35 0.00 0.17 2.01 -2.24 -1.26 -2.19 114.28 112.12 1rtd n THR 253 Ca -0.16 -2.00 0.07 0.00 -2.27 0.00 0.00 64.05 59.70 1rtd n THR 253 Cb 0.52 -0.17 0.09 0.00 -2.10 0.00 0.00 70.33 68.68 1rtd n THR 253 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1rtd h VAL 254 N 0.53 0.40 -0.30 2.28 2.07 -1.55 -2.82 116.25 116.85 1rtd h VAL 254 Ca -0.31 -1.57 -0.13 0.00 0.82 0.00 0.00 66.70 65.50 1rtd h VAL 254 Cb 1.19 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1rtd h VAL 254 CO 0.48 0.23 -0.36 -1.13 0.02 0.00 0.00 177.57 176.80 1rtd h ASN 255 N 0.00 0.73 -0.43 0.57 -0.73 -1.62 -2.80 115.58 111.29 1rtd h ASN 255 Ca -0.01 -0.31 -0.07 0.00 1.87 0.00 0.00 56.30 57.78 1rtd h ASN 255 Cb 1.19 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.56 1rtd h ASN 255 CO 0.03 1.02 -0.02 0.44 -0.37 0.00 0.00 177.43 178.52 1rtd h ASP 256 N 0.58 0.76 0.57 1.15 3.32 -1.78 -2.13 116.42 118.89 1rtd h ASP 256 Ca 0.06 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 1rtd h ASP 256 Cb 0.88 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1rtd h ASP 256 CO 0.08 0.90 -0.44 0.40 -1.72 0.00 0.00 179.24 178.45 1rtd h ILE 257 N 0.61 1.20 -0.42 0.35 1.08 -1.48 -1.45 117.51 117.40 1rtd h ILE 257 Ca 0.12 -1.59 -0.14 0.00 -0.39 0.00 0.00 64.86 62.86 1rtd h ILE 257 Cb 0.52 1.88 -0.01 0.00 -3.07 0.00 0.00 36.82 36.15 1rtd h ILE 257 CO 0.03 0.44 -0.29 0.00 -0.69 0.00 0.00 178.15 177.64 1rtd h LYS 259 N 0.76 0.00 0.17 0.00 1.57 -1.23 -3.19 116.57 114.65 1rtd h LYS 259 Ca 0.08 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.61 1rtd h LYS 259 Cb 0.87 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.21 1rtd h LYS 259 CO 0.08 0.44 -1.09 1.25 -0.57 0.00 0.00 179.45 179.56 1rtd h LEU 260 N 0.00 0.67 -0.36 2.94 5.85 -1.09 -3.15 115.31 120.17 1rtd h LEU 260 Ca -0.00 -0.91 -0.19 0.00 0.84 0.00 0.00 57.88 57.62 1rtd h LEU 260 Cb 1.29 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1rtd h LEU 260 CO 0.06 1.52 -0.81 0.58 -0.34 0.00 0.00 178.44 179.44 1rtd h VAL 261 N -0.07 1.46 0.00 1.05 2.07 -1.46 -1.71 116.25 117.58 1rtd h VAL 261 Ca -0.18 -2.44 -0.12 0.00 0.82 0.00 0.00 66.70 64.78 1rtd h VAL 261 Cb 1.84 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 33.93 1rtd h VAL 261 CO 0.21 0.71 -0.56 1.23 0.02 0.00 0.00 177.57 179.18 1rtd h GLY 262 N 1.68 0.00 0.53 2.17 0.00 -1.70 -0.35 103.07 105.40 1rtd h GLY 262 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1rtd h GLY 262 CO 0.13 0.00 -0.09 1.70 0.00 0.00 0.00 176.54 178.27 1rtd h LYS 263 N 0.00 0.14 0.00 4.80 1.63 -1.53 -2.47 116.57 119.13 1rtd h LYS 263 Ca -0.01 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 1rtd h LYS 263 Cb 1.14 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1rtd h LYS 263 CO 0.07 0.68 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.56 1rtd h LEU 264 N -0.39 0.00 -0.23 5.20 4.07 -1.17 -0.86 115.31 121.92 1rtd h LEU 264 Ca 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.76 1rtd h LEU 264 Cb 0.68 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1rtd h LEU 264 CO 0.02 0.13 -0.91 0.78 -1.08 0.00 0.00 178.44 177.38 1rtd h ASN 265 N 0.00 0.25 0.56 -0.43 2.35 -1.02 -1.62 115.58 115.66 1rtd h ASN 265 Ca -0.00 -0.21 -0.15 0.00 -0.55 0.00 0.00 56.30 55.38 1rtd h ASN 265 Cb 0.31 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1rtd h ASN 265 CO 0.02 1.03 -0.68 -0.25 -1.65 0.00 0.00 177.43 175.90 1rtd h TRP 266 N 0.10 0.14 0.00 1.19 2.91 -0.71 -3.00 115.95 116.59 1rtd h TRP 266 Ca -0.05 -0.06 -0.04 0.00 1.13 0.00 0.00 58.89 59.87 1rtd h TRP 266 Cb 1.55 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 30.18 1rtd h TRP 266 CO 0.03 0.75 -0.18 0.00 -1.03 0.00 0.00 178.44 178.01 1rtd h ALA 267 N 1.23 0.90 0.00 2.65 0.00 -1.15 -3.18 119.26 119.71 1rtd h ALA 267 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rtd h ALA 267 Cb 1.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1rtd h ALA 267 CO 0.10 0.23 -0.01 0.77 0.00 0.00 0.00 179.25 180.34 1rtd h SER 268 N 0.00 0.00 -0.60 0.00 0.02 -1.14 -0.44 113.55 111.38 1rtd h SER 268 Ca -0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1rtd h SER 268 Cb 1.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 1rtd h SER 268 CO 0.02 0.01 0.40 1.56 -1.14 0.00 0.00 176.83 177.68 1rtd h GLN 269 N 0.00 0.62 0.00 3.45 4.20 -1.65 -3.30 115.11 118.43 1rtd h GLN 269 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1rtd h GLN 269 Cb 0.37 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1rtd h GLN 269 CO 0.00 0.41 -0.54 1.51 -0.67 0.00 0.00 178.83 179.54 1rtd n ILE 270 N -4.47 0.00 -2.63 2.54 3.06 -1.16 -0.53 119.36 116.17 1rtd n ILE 270 Ca 0.08 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.90 1rtd n ILE 270 Cb 0.19 -0.51 -0.02 0.00 0.54 0.00 0.00 39.64 39.85 1rtd n ILE 270 CO 0.00 0.00 0.00 -0.31 -2.50 0.00 0.00 176.55 173.74 1rtd s TYR 271 N -1.54 2.90 0.40 9.51 1.51 -0.19 -4.69 117.35 125.26 1rtd s TYR 271 Ca 0.00 0.79 -0.26 0.00 -1.01 0.00 0.00 57.07 56.59 1rtd s TYR 271 Cb 0.00 -4.23 -0.09 0.00 -0.11 0.00 0.00 41.96 37.53 1rtd s TYR 271 CO 0.00 -1.14 1.25 -1.25 -1.11 0.00 0.00 175.55 173.30 1rtd s PRO 272 N 4.22 3.99 0.00 -1.71 0.04 -1.26 -3.94 135.00 136.34 1rtd s PRO 272 Ca 0.46 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1rtd s PRO 272 Cb -0.08 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1rtd s PRO 272 CO 0.28 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1rtd n GLY 273 N 0.67 0.44 3.70 0.56 0.00 -1.26 -5.00 105.19 104.29 1rtd n GLY 273 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1rtd n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rtd n ILE 274 N -2.86 0.31 -4.92 -0.61 -0.00 -1.25 -4.99 119.36 105.04 1rtd n ILE 274 Ca 0.00 -0.06 -0.33 0.00 -0.00 0.00 0.00 62.75 62.37 1rtd n ILE 274 Cb 0.07 -2.13 -0.14 0.00 -0.00 0.00 0.00 39.64 37.43 1rtd n ILE 274 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1rtd s LYS 275 N 2.51 2.89 0.00 0.38 1.02 -1.26 -4.95 119.74 120.33 1rtd s LYS 275 Ca 0.81 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.06 1rtd s LYS 275 Cb -0.47 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1rtd s LYS 275 CO 0.36 0.40 0.00 1.33 -0.92 0.00 0.00 175.35 176.52 1rtd n VAL 276 N 2.95 0.00 -0.32 3.17 0.24 -1.26 -4.91 118.33 118.20 1rtd n VAL 276 Ca -0.18 -0.16 0.19 0.00 -2.04 0.00 0.00 64.34 62.15 1rtd n VAL 276 Cb 0.52 0.68 0.38 0.00 -1.47 0.00 0.00 33.84 33.95 1rtd n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1rtd h ARG 277 N 0.00 0.12 0.02 7.34 2.43 -1.96 0.56 114.38 122.89 1rtd h ARG 277 Ca 0.00 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 1rtd h ARG 277 Cb 0.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1rtd h ARG 277 CO 0.00 0.08 -0.95 1.96 -1.51 0.00 0.00 179.97 179.55 1rtd h GLN 278 N 0.12 0.21 -0.09 0.20 1.08 -1.92 -2.72 115.11 111.99 1rtd h GLN 278 Ca 0.65 -0.26 -0.14 0.00 -1.45 0.00 0.00 58.65 57.46 1rtd h GLN 278 Cb 1.46 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.96 1rtd h GLN 278 CO -0.75 1.01 -0.56 -0.07 -0.95 0.00 0.00 178.83 177.51 1rtd h LEU 279 N 0.11 0.31 -1.08 1.46 3.38 -1.51 -2.92 115.31 115.06 1rtd h LEU 279 Ca -0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1rtd h LEU 279 Cb 1.60 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1rtd h LEU 279 CO 0.15 0.81 -0.14 0.00 0.09 0.00 0.00 178.44 179.34 1rtd h LYS 281 N 0.00 0.00 0.00 0.00 1.57 -1.28 -2.72 116.57 114.14 1rtd h LYS 281 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rtd h LYS 281 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1rtd h LYS 281 CO 0.02 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 1rtd n LEU 282 N -2.86 0.28 0.00 2.94 7.99 -1.07 -2.77 117.00 121.51 1rtd n LEU 282 Ca 0.00 0.54 0.12 0.00 -0.01 0.00 0.00 56.01 56.66 1rtd n LEU 282 Cb 0.25 -0.46 0.26 0.00 -0.11 0.00 0.00 43.42 43.36 1rtd n LEU 282 CO 0.24 -0.13 0.46 0.18 -1.51 0.00 0.00 177.39 176.63 1rtd n LEU 283 N -1.77 0.49 -4.75 2.23 4.32 -1.03 -4.90 117.00 111.59 1rtd n LEU 283 Ca 0.06 0.03 -0.41 0.00 -0.02 0.00 0.00 56.01 55.67 1rtd n LEU 283 Cb 0.33 -0.25 -0.04 0.00 -1.62 0.00 0.00 43.42 41.84 1rtd n LEU 283 CO 0.25 0.11 0.84 -0.13 -1.22 0.00 0.00 177.39 177.25 1rtd s ARG 284 N -3.01 4.56 0.00 3.23 0.52 -1.12 -3.87 118.95 119.27 1rtd s ARG 284 Ca 0.11 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.19 1rtd s ARG 284 Cb 0.17 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1rtd s ARG 284 CO 0.70 0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.49 1rtd n GLY 285 N 1.51 1.07 6.63 -3.53 0.00 -1.26 -4.90 105.19 104.71 1rtd n GLY 285 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1rtd n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rtd n THR 286 N -1.45 0.00 -1.40 2.61 -2.24 -1.25 -4.94 114.28 105.61 1rtd n THR 286 Ca 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 1rtd n THR 286 Cb 0.22 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 1rtd n THR 286 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rtd n LYS 287 N 0.00 -3.02 -2.57 -0.78 4.76 -1.26 -4.94 118.16 110.34 1rtd n LYS 287 Ca 0.00 2.22 -0.33 0.00 -2.87 0.00 0.00 58.31 57.33 1rtd n LYS 287 Cb 0.00 -3.61 -0.05 0.00 -1.84 0.00 0.00 35.03 29.53 1rtd n LYS 287 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rtd s ALA 288 N -3.09 2.98 -0.01 7.82 0.00 -1.26 -4.98 121.76 123.22 1rtd s ALA 288 Ca 0.00 0.39 0.25 0.00 0.00 0.00 0.00 51.96 52.60 1rtd s ALA 288 Cb 0.00 -3.17 0.83 0.00 0.00 0.00 0.00 23.12 20.78 1rtd s ALA 288 CO 0.00 -0.15 1.78 -0.07 0.00 0.00 0.00 175.76 177.32 1rtd h LEU 289 N 1.43 0.00 0.00 0.00 4.07 -1.93 -3.10 115.31 115.78 1rtd h LEU 289 Ca -0.48 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.29 1rtd h LEU 289 Cb 1.19 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.90 1rtd h LEU 289 CO 0.60 0.16 -1.17 0.71 -1.08 0.00 0.00 178.44 177.67 1rtd h THR 290 N 0.00 0.86 -3.25 0.22 1.35 -1.96 -1.91 112.91 108.23 1rtd h THR 290 Ca -0.00 -2.43 -0.53 0.00 -0.55 0.00 0.00 66.41 62.90 1rtd h THR 290 Cb 0.81 2.34 0.04 0.00 -1.73 0.00 0.00 68.15 69.61 1rtd h THR 290 CO 0.02 0.49 0.71 -0.70 -0.25 0.00 0.00 175.52 175.80 1rtd s GLU 291 N -2.84 4.33 0.11 4.72 2.12 -1.17 -4.82 118.70 121.14 1rtd s GLU 291 Ca -0.01 2.15 -0.30 0.00 0.36 0.00 0.00 54.97 57.17 1rtd s GLU 291 Cb 0.08 -3.18 -0.06 0.00 0.26 0.00 0.00 34.13 31.23 1rtd s GLU 291 CO 0.80 -0.37 1.08 0.08 -0.54 0.00 0.00 175.26 176.31 1rtd s VAL 292 N 0.40 4.19 -0.05 3.70 1.01 -1.26 -2.63 120.40 125.75 1rtd s VAL 292 Ca 0.60 1.74 0.04 0.00 0.00 0.00 0.00 61.98 64.37 1rtd s VAL 292 Cb -0.38 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 1rtd s VAL 292 CO 0.37 0.23 -0.19 -0.51 0.00 0.00 0.00 175.10 175.00 1rtd s ILE 293 N 0.31 1.57 0.16 2.22 2.07 -0.93 -4.97 121.20 121.64 1rtd s ILE 293 Ca 0.51 -0.79 -0.30 0.00 -1.41 0.00 0.00 60.65 58.67 1rtd s ILE 293 Cb -0.27 -1.36 -0.07 0.00 0.13 0.00 0.00 42.46 40.90 1rtd s ILE 293 CO 0.31 0.45 1.07 -2.16 -1.91 0.00 0.00 174.94 172.70 1rtd s PRO 294 N 0.10 4.61 -0.54 3.50 0.04 -1.26 -4.52 135.00 136.92 1rtd s PRO 294 Ca -0.06 1.65 -0.28 0.00 0.04 0.00 0.00 61.00 62.35 1rtd s PRO 294 Cb -0.13 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.12 1rtd s PRO 294 CO 0.03 0.10 1.46 -0.51 0.04 0.00 0.00 177.00 178.12 1rtd s LEU 295 N -0.23 3.41 0.84 -3.56 1.02 -1.26 -5.01 118.68 113.89 1rtd s LEU 295 Ca 0.49 0.37 -0.10 0.00 0.02 0.00 0.00 54.13 54.90 1rtd s LEU 295 Cb -0.28 -3.07 0.10 0.00 0.02 0.00 0.00 46.19 42.96 1rtd s LEU 295 CO 0.33 -1.73 1.11 0.42 0.02 0.00 0.00 176.35 176.50 1rtd s THR 296 N 6.24 2.77 0.20 5.49 -4.23 -1.26 -4.73 115.64 120.11 1rtd s THR 296 Ca 0.55 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 61.19 1rtd s THR 296 Cb -0.12 -2.54 0.15 0.00 1.34 0.00 0.00 72.50 71.34 1rtd s THR 296 CO 0.26 -0.33 1.70 -0.33 -0.54 0.00 0.00 174.62 175.38 1rtd h GLU 297 N -1.47 0.20 0.00 3.99 5.08 -1.99 -1.21 114.58 119.17 1rtd h GLU 297 Ca -0.44 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1rtd h GLU 297 Cb 1.25 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1rtd h GLU 297 CO 0.47 0.13 -0.09 0.93 -1.00 0.00 0.00 179.01 179.45 1rtd h GLU 298 N 0.21 0.00 0.00 2.33 3.07 -1.98 -2.73 114.58 115.48 1rtd h GLU 298 Ca 0.29 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.99 1rtd h GLU 298 Cb 0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1rtd h GLU 298 CO -0.40 0.09 -1.00 0.00 -1.40 0.00 0.00 179.01 176.30 1rtd h ALA 299 N 1.91 0.63 -0.05 3.43 0.00 -1.63 -3.09 119.26 120.45 1rtd h ALA 299 Ca -0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 1rtd h ALA 299 Cb 0.63 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1rtd h ALA 299 CO 0.01 0.88 -0.69 0.93 0.00 0.00 0.00 179.25 180.38 1rtd h GLU 300 N 0.00 0.25 -0.09 0.00 4.39 -0.95 -2.49 114.58 115.69 1rtd h GLU 300 Ca -0.08 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 1rtd h GLU 300 Cb 1.55 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1rtd h GLU 300 CO 0.07 0.84 -0.07 1.25 -1.16 0.00 0.00 179.01 179.94 1rtd h LEU 301 N 0.17 0.21 -0.61 1.33 7.12 -1.59 -2.86 115.31 119.09 1rtd h LEU 301 Ca -0.02 -0.46 -0.04 0.00 0.13 0.00 0.00 57.88 57.49 1rtd h LEU 301 Cb 1.24 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 41.28 1rtd h LEU 301 CO 0.11 0.63 0.24 -0.08 -0.13 0.00 0.00 178.44 179.21 1rtd h GLU 302 N -0.21 0.91 -0.20 1.25 4.81 -1.54 0.42 114.58 120.03 1rtd h GLU 302 Ca 0.02 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.99 1rtd h GLU 302 Cb 0.56 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1rtd h GLU 302 CO 0.02 0.78 -0.27 1.25 -0.73 0.00 0.00 179.01 180.06 1rtd h LEU 303 N 0.85 0.38 -0.19 1.64 7.12 -1.51 0.02 115.31 123.62 1rtd h LEU 303 Ca 0.20 -0.13 -0.22 0.00 0.13 0.00 0.00 57.88 57.86 1rtd h LEU 303 Cb 0.21 -0.10 0.01 0.00 -0.53 0.00 0.00 40.66 40.24 1rtd h LEU 303 CO -0.02 0.65 -0.84 0.00 -0.13 0.00 0.00 178.44 178.10 1rtd h ALA 304 N 1.39 0.35 -0.10 1.25 0.00 -1.25 -1.62 119.26 119.28 1rtd h ALA 304 Ca 0.05 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1rtd h ALA 304 Cb 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1rtd h ALA 304 CO 0.05 0.72 -0.45 0.93 0.00 0.00 0.00 179.25 180.50 1rtd h GLU 305 N 0.41 0.23 0.00 0.00 5.08 -0.56 -2.68 114.58 117.06 1rtd h GLU 305 Ca -0.07 -0.12 -0.21 0.00 -1.00 0.00 0.00 59.36 57.97 1rtd h GLU 305 Cb 1.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 1rtd h GLU 305 CO 0.16 0.64 -1.00 -0.91 -1.00 0.00 0.00 179.01 176.89 1rtd h ASN 306 N 0.19 0.00 0.17 1.42 2.35 -1.00 -3.16 115.58 115.54 1rtd h ASN 306 Ca 0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1rtd h ASN 306 Cb 0.87 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 1rtd h ASN 306 CO 0.07 0.97 -0.32 -0.09 -1.65 0.00 0.00 177.43 176.42 1rtd h ARG 307 N 0.00 0.23 -0.06 0.81 9.65 -1.11 -2.72 114.38 121.18 1rtd h ARG 307 Ca -0.02 -0.09 -0.15 0.00 -1.10 0.00 0.00 59.98 58.62 1rtd h ARG 307 Cb 1.76 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.31 1rtd h ARG 307 CO 0.12 0.53 -0.62 0.93 2.80 0.00 0.00 179.97 183.73 1rtd h GLU 308 N 0.21 0.21 -0.02 0.20 4.39 -1.49 -3.13 114.58 114.95 1rtd h GLU 308 Ca 0.03 -0.15 -0.21 0.00 0.34 0.00 0.00 59.36 59.37 1rtd h GLU 308 Cb 0.67 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1rtd h GLU 308 CO 0.05 0.77 -0.87 0.82 -1.16 0.00 0.00 179.01 178.62 1rtd h ILE 309 N 0.15 1.41 0.00 3.13 1.08 -1.47 -3.36 117.51 118.46 1rtd h ILE 309 Ca -0.01 -2.39 -0.06 0.00 -0.39 0.00 0.00 64.86 62.02 1rtd h ILE 309 Cb 1.13 2.33 -0.01 0.00 -3.07 0.00 0.00 36.82 37.21 1rtd h ILE 309 CO 0.09 0.71 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.92 1rtd h LEU 310 N 0.22 0.00 -3.81 1.44 3.38 -1.44 -3.30 115.31 111.80 1rtd h LEU 310 Ca -0.06 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.46 1rtd h LEU 310 Cb 1.48 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.05 1rtd h LEU 310 CO 0.15 0.27 0.55 1.17 0.09 0.00 0.00 178.44 180.67 1rtd n LYS 311 N -3.57 2.14 -3.74 1.13 4.81 -1.20 -4.83 118.16 112.89 1rtd n LYS 311 Ca -0.01 -2.16 -0.13 0.00 -0.87 0.00 0.00 58.31 55.14 1rtd n LYS 311 Cb 0.41 -1.88 -0.14 0.00 0.02 0.00 0.00 35.03 33.44 1rtd n LYS 311 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1rtd s GLU 312 N -2.37 0.12 0.03 1.64 2.02 -1.25 -5.12 118.70 113.77 1rtd s GLU 312 Ca 0.44 0.41 -0.30 0.00 0.02 0.00 0.00 54.97 55.54 1rtd s GLU 312 Cb 0.33 -0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 1rtd s GLU 312 CO -0.05 -0.16 1.20 -1.25 0.02 0.00 0.00 175.26 175.01 1rtd s PRO 313 N 1.19 4.41 -0.01 0.39 0.04 -1.26 -5.03 135.00 134.73 1rtd s PRO 313 Ca -0.09 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.73 1rtd s PRO 313 Cb -0.11 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 1rtd s PRO 313 CO -0.07 -0.31 -0.12 0.14 0.04 0.00 0.00 177.00 176.68 1rtd s VAL 314 N 1.42 0.96 0.28 -0.36 -7.23 -1.26 -5.16 120.40 109.05 1rtd s VAL 314 Ca 0.58 -0.55 0.11 0.00 -1.81 0.00 0.00 61.98 60.31 1rtd s VAL 314 Cb -0.28 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1rtd s VAL 314 CO 0.27 0.25 -0.18 -1.38 -0.31 0.00 0.00 175.10 173.75 1rtd s HIS 315 N -0.32 2.21 -0.02 2.82 -3.43 -1.26 -4.54 115.29 110.75 1rtd s HIS 315 Ca 0.04 -0.39 0.06 0.00 -0.80 0.00 0.00 55.06 53.97 1rtd s HIS 315 Cb -0.05 -1.00 -0.01 0.00 -1.43 0.00 0.00 32.58 30.09 1rtd s HIS 315 CO -0.00 0.65 -0.18 0.20 -2.00 0.00 0.00 174.74 173.40 1rtd s GLY 316 N -3.49 0.91 0.68 -1.38 0.00 0.11 -4.58 107.32 99.57 1rtd s GLY 316 Ca 0.29 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 44.12 1rtd s GLY 316 CO 0.14 -0.64 1.05 0.54 0.00 0.00 0.00 173.10 174.19 1rtd s VAL 317 N -0.40 3.42 0.45 1.40 0.11 0.47 -2.27 120.40 123.58 1rtd s VAL 317 Ca 0.06 0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 59.38 1rtd s VAL 317 Cb -0.07 -3.44 0.10 0.00 -1.53 0.00 0.00 36.38 31.44 1rtd s VAL 317 CO -0.01 -0.54 0.61 -1.22 -3.33 0.00 0.00 175.10 170.61 1rtd n TYR 318 N -2.92 -3.76 -3.64 1.54 4.01 -1.26 -4.64 117.16 106.48 1rtd n TYR 318 Ca 0.06 -0.66 -0.38 0.00 -0.16 0.00 0.00 57.90 56.77 1rtd n TYR 318 Cb 0.58 -0.46 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 1rtd n TYR 318 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1rtd s TYR 319 N -2.14 3.66 -0.31 -0.72 5.04 0.18 -4.96 117.35 118.09 1rtd s TYR 319 Ca 0.36 0.80 0.02 0.00 -2.44 0.00 0.00 57.07 55.81 1rtd s TYR 319 Cb -0.01 -2.16 0.09 0.00 0.35 0.00 0.00 41.96 40.23 1rtd s TYR 319 CO 0.25 0.65 0.05 0.34 -1.34 0.00 0.00 175.55 175.50 1rtd s ASP 320 N -0.96 4.41 0.00 4.32 -1.08 -1.26 -3.80 116.67 118.31 1rtd s ASP 320 Ca 0.20 -1.85 0.00 0.00 -0.52 0.00 0.00 52.55 50.39 1rtd s ASP 320 Cb -0.15 -1.33 0.01 0.00 -1.46 0.00 0.00 42.92 40.00 1rtd s ASP 320 CO 0.09 -0.37 0.66 -0.81 0.52 0.00 0.00 175.17 175.26 1rtd n PRO 321 N 4.50 0.00 -0.00 4.34 -0.04 -1.26 -2.30 135.00 140.24 1rtd n PRO 321 Ca -0.00 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 63.70 1rtd n PRO 321 Cb 0.42 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 1rtd n PRO 321 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1rtd n SER 322 N -1.15 0.77 -4.71 3.54 3.41 -1.26 -4.91 113.62 109.31 1rtd n SER 322 Ca 0.00 -0.55 -0.31 0.00 -0.26 0.00 0.00 58.87 57.75 1rtd n SER 322 Cb 0.00 1.36 -0.08 0.00 -0.26 0.00 0.00 64.21 65.23 1rtd n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1rtd s LYS 323 N -3.00 2.70 0.59 4.33 1.02 -0.97 -5.13 119.74 119.28 1rtd s LYS 323 Ca 0.01 -0.73 -0.03 0.00 0.02 0.00 0.00 55.97 55.24 1rtd s LYS 323 Cb 0.13 -2.63 0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1rtd s LYS 323 CO 0.78 0.57 0.86 0.16 -0.92 0.00 0.00 175.35 176.80 1rtd s ASP 324 N -2.11 5.33 -0.24 2.83 -4.77 -1.26 -4.82 116.67 111.62 1rtd s ASP 324 Ca 0.25 0.38 -0.13 0.00 -3.30 0.00 0.00 52.55 49.75 1rtd s ASP 324 Cb -0.12 -1.29 -0.05 0.00 -1.09 0.00 0.00 42.92 40.37 1rtd s ASP 324 CO 0.17 -1.17 0.25 -0.22 0.70 0.00 0.00 175.17 174.90 1rtd s LEU 325 N -4.93 4.10 -0.03 2.11 2.96 -1.26 -4.65 118.68 116.97 1rtd s LEU 325 Ca 0.56 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 1rtd s LEU 325 Cb -0.10 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1rtd s LEU 325 CO 0.42 -0.03 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.62 1rtd s ILE 326 N 1.40 2.82 -0.03 6.68 -1.09 -0.09 -1.19 121.20 129.70 1rtd s ILE 326 Ca 0.11 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 57.72 1rtd s ILE 326 Cb -0.15 -2.09 -0.00 0.00 -1.58 0.00 0.00 42.46 38.64 1rtd s ILE 326 CO 0.07 0.56 -0.13 0.00 -1.23 0.00 0.00 174.94 174.22 1rtd s ALA 327 N -0.73 1.19 -0.02 9.38 0.00 0.17 -0.34 121.76 131.42 1rtd s ALA 327 Ca 0.11 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.60 1rtd s ALA 327 Cb -0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1rtd s ALA 327 CO 0.01 0.21 -0.15 -2.00 0.00 0.00 0.00 175.76 173.83 1rtd s GLU 328 N 0.09 1.33 0.01 0.00 2.12 -0.31 -1.12 118.70 120.82 1rtd s GLU 328 Ca -0.03 -0.53 0.07 0.00 0.36 0.00 0.00 54.97 54.84 1rtd s GLU 328 Cb -0.10 -1.24 -0.03 0.00 0.26 0.00 0.00 34.13 33.03 1rtd s GLU 328 CO 0.01 0.28 -0.20 0.42 -0.54 0.00 0.00 175.26 175.23 1rtd s ILE 329 N -0.20 2.57 0.11 -3.70 1.01 -1.05 -1.16 121.20 118.79 1rtd s ILE 329 Ca 0.03 -1.11 0.06 0.00 0.00 0.00 0.00 60.65 59.62 1rtd s ILE 329 Cb -0.07 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1rtd s ILE 329 CO 0.00 0.45 -0.15 -1.10 0.00 0.00 0.00 174.94 174.14 1rtd s GLN 330 N -1.08 1.00 -0.17 2.79 1.11 0.87 -4.29 119.66 119.89 1rtd s GLN 330 Ca 0.12 -1.18 -0.13 0.00 0.01 0.00 0.00 55.36 54.18 1rtd s GLN 330 Cb -0.10 -0.95 -0.05 0.00 -1.01 0.00 0.00 33.01 30.90 1rtd s GLN 330 CO 0.02 0.19 0.27 0.21 0.01 0.00 0.00 175.29 176.00 1rtd s LYS 331 N -2.40 4.25 0.00 2.91 2.20 -1.26 -1.60 119.74 123.83 1rtd s LYS 331 Ca 0.07 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 1rtd s LYS 331 Cb -0.06 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1rtd s LYS 331 CO 0.03 0.24 0.00 1.04 -0.36 0.00 0.00 175.35 176.30 1rtd n GLN 332 N 3.59 0.00 0.00 4.03 1.13 -0.18 -4.76 117.38 121.20 1rtd n GLN 332 Ca -0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 1rtd n GLN 332 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.87 1rtd n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rtd n GLY 333 N 3.09 4.40 3.71 1.08 0.00 -1.25 -5.01 105.19 111.21 1rtd n GLY 333 Ca 0.00 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1rtd n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rtd s GLN 334 N 2.43 4.50 0.00 1.61 -0.21 -1.26 -3.60 119.66 123.13 1rtd s GLN 334 Ca 0.00 1.30 0.00 0.00 0.02 0.00 0.00 55.36 56.68 1rtd s GLN 334 Cb 0.00 -3.48 0.00 0.00 1.00 0.00 0.00 33.01 30.53 1rtd s GLN 334 CO 0.00 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 1rtd n GLY 335 N 2.99 0.44 3.36 3.09 0.00 -1.26 -4.97 105.19 108.84 1rtd n GLY 335 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1rtd n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rtd s GLN 336 N -0.63 3.19 0.04 1.61 -0.21 -1.24 -4.31 119.66 118.12 1rtd s GLN 336 Ca 0.00 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 54.69 1rtd s GLN 336 Cb 0.00 -2.54 -0.02 0.00 1.00 0.00 0.00 33.01 31.45 1rtd s GLN 336 CO 0.00 0.27 -0.10 -1.58 -2.12 0.00 0.00 175.29 171.76 1rtd s TRP 337 N 0.19 0.84 -0.03 0.91 0.52 -0.04 -1.01 118.94 120.33 1rtd s TRP 337 Ca -0.09 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.68 1rtd s TRP 337 Cb -0.15 -0.50 -0.01 0.00 -1.15 0.00 0.00 33.47 31.66 1rtd s TRP 337 CO 0.05 -0.02 -0.15 0.95 0.02 0.00 0.00 176.95 177.80 1rtd s THR 338 N -1.03 1.22 0.22 2.01 -4.23 -0.63 -0.59 115.64 112.61 1rtd s THR 338 Ca -0.04 -0.63 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 1rtd s THR 338 Cb -0.08 -1.04 -0.05 0.00 1.34 0.00 0.00 72.50 72.67 1rtd s THR 338 CO 0.01 0.35 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.68 1rtd s TYR 339 N -0.11 1.54 -0.15 3.99 1.13 -0.17 -0.09 117.35 123.49 1rtd s TYR 339 Ca 0.01 -0.84 -0.08 0.00 -1.41 0.00 0.00 57.07 54.74 1rtd s TYR 339 Cb -0.08 -0.86 0.05 0.00 -1.10 0.00 0.00 41.96 39.97 1rtd s TYR 339 CO 0.01 0.04 0.36 1.14 -2.51 0.00 0.00 175.55 174.58 1rtd s GLN 340 N -3.81 0.34 -0.28 -3.49 0.00 -0.31 0.84 119.66 112.95 1rtd s GLN 340 Ca 0.26 0.70 -0.11 0.00 -0.00 0.00 0.00 55.36 56.20 1rtd s GLN 340 Cb 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 33.01 32.96 1rtd s GLN 340 CO 0.07 -0.15 0.18 0.42 0.00 0.00 0.00 175.29 175.81 1rtd s ILE 341 N 1.30 5.21 0.26 3.63 1.01 0.14 -1.16 121.20 131.60 1rtd s ILE 341 Ca -0.09 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.70 1rtd s ILE 341 Cb -0.09 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1rtd s ILE 341 CO -0.11 0.25 0.15 -0.72 0.00 0.00 0.00 174.94 174.51 1rtd s TYR 342 N 1.74 1.46 0.00 3.97 1.13 0.54 -0.44 117.35 125.75 1rtd s TYR 342 Ca 0.07 -1.37 0.00 0.00 -1.41 0.00 0.00 57.07 54.36 1rtd s TYR 342 Cb -0.16 -0.75 0.00 0.00 -1.10 0.00 0.00 41.96 39.95 1rtd s TYR 342 CO 0.10 -0.57 0.00 1.04 -2.51 0.00 0.00 175.55 173.61 1rtd n GLN 343 N -0.46 2.30 -3.87 -3.49 6.02 -1.25 -0.91 117.38 115.72 1rtd n GLN 343 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.86 1rtd n GLN 343 Cb 0.65 -0.87 -0.16 0.00 1.02 0.00 0.00 30.24 30.89 1rtd n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1rtd s GLU 344 N -1.62 0.12 0.00 -1.09 2.02 -1.25 -4.92 118.70 111.96 1rtd s GLU 344 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1rtd s GLU 344 Cb 0.00 -0.29 0.00 0.00 0.10 0.00 0.00 34.13 33.94 1rtd s GLU 344 CO 0.00 -0.11 0.00 -2.30 0.02 0.00 0.00 175.26 172.87 1rtd n PRO 345 N 3.87 0.00 0.00 0.39 -0.02 -1.26 -0.89 135.00 137.09 1rtd n PRO 345 Ca -0.24 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.36 1rtd n PRO 345 Cb 0.53 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.07 1rtd n PRO 345 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1rtd n PHE 346 N -0.43 0.00 -3.10 6.00 7.35 -1.26 -4.82 117.46 121.20 1rtd n PHE 346 Ca 0.00 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.24 1rtd n PHE 346 Cb 0.00 -0.03 -0.03 0.00 0.35 0.00 0.00 39.48 39.77 1rtd n PHE 346 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1rtd s LYS 347 N -2.55 3.45 0.58 -4.13 1.02 -0.07 -5.03 119.74 113.00 1rtd s LYS 347 Ca 0.18 -1.84 -0.13 0.00 0.02 0.00 0.00 55.97 54.20 1rtd s LYS 347 Cb 0.18 -4.58 -0.05 0.00 -0.52 0.00 0.00 37.83 32.86 1rtd s LYS 347 CO 0.60 -1.57 1.01 -0.80 -0.92 0.00 0.00 175.35 173.67 1rtd s ASN 348 N 3.18 6.36 -0.12 2.83 0.01 -1.26 -3.82 114.94 122.12 1rtd s ASN 348 Ca 0.22 1.50 -0.09 0.00 -0.71 0.00 0.00 52.86 53.78 1rtd s ASN 348 Cb -0.12 -2.49 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 1rtd s ASN 348 CO -0.05 -0.78 -0.21 0.18 -1.51 0.00 0.00 177.10 174.74 1rtd n LEU 349 N -2.27 1.36 -3.78 0.60 4.77 0.41 -0.40 117.00 117.69 1rtd n LEU 349 Ca 0.06 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 56.14 1rtd n LEU 349 Cb 0.54 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 1rtd n LEU 349 CO 0.53 -0.03 -0.02 -0.75 -1.33 0.00 0.00 177.39 175.79 1rtd s LYS 350 N -2.41 0.59 0.38 3.23 2.20 -1.00 -4.61 119.74 118.12 1rtd s LYS 350 Ca -0.20 -0.14 0.08 0.00 -0.36 0.00 0.00 55.97 55.34 1rtd s LYS 350 Cb 0.06 0.26 -0.07 0.00 -1.51 0.00 0.00 37.83 36.57 1rtd s LYS 350 CO 0.27 -0.15 -0.03 0.95 -0.36 0.00 0.00 175.35 176.03 1rtd s THR 351 N -1.12 2.09 0.39 3.43 -4.23 0.31 0.26 115.64 116.77 1rtd s THR 351 Ca -0.12 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.17 1rtd s THR 351 Cb -0.05 -2.85 0.05 0.00 1.34 0.00 0.00 72.50 70.99 1rtd s THR 351 CO 0.03 -0.09 0.77 -0.83 -0.54 0.00 0.00 174.62 173.96 1rtd s GLY 352 N -3.66 0.53 -0.10 3.99 0.00 0.25 -4.27 107.32 104.06 1rtd s GLY 352 Ca 0.34 -0.87 -0.06 0.00 0.00 0.00 0.00 44.72 44.13 1rtd s GLY 352 CO 0.17 -0.40 0.25 1.25 0.00 0.00 0.00 173.10 174.37 1rtd s LYS 353 N -2.23 0.23 -0.21 2.90 2.20 -1.26 -1.00 119.74 120.36 1rtd s LYS 353 Ca 0.17 0.50 0.01 0.00 -0.36 0.00 0.00 55.97 56.29 1rtd s LYS 353 Cb -0.05 -0.07 0.05 0.00 -1.51 0.00 0.00 37.83 36.25 1rtd s LYS 353 CO 0.13 -0.14 -0.08 -0.47 -0.36 0.00 0.00 175.35 174.43 1rtd s TYR 354 N 1.05 2.42 0.00 4.03 5.04 0.24 -4.99 117.35 125.13 1rtd s TYR 354 Ca -0.08 -1.66 0.00 0.00 -2.44 0.00 0.00 57.07 52.89 1rtd s TYR 354 Cb -0.09 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 40.61 1rtd s TYR 354 CO -0.07 -0.75 0.72 0.00 -1.34 0.00 0.00 175.55 174.11 1rtd n ALA 355 N 4.68 1.58 -1.92 3.97 0.00 -1.26 -0.86 120.51 126.69 1rtd n ALA 355 Ca -0.14 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 1rtd n ALA 355 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1rtd n ALA 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1rtd s ARG 356 N -0.50 4.26 -0.73 0.00 3.52 -1.26 -4.81 118.95 119.42 1rtd s ARG 356 Ca 0.00 2.30 -0.06 0.00 -0.13 0.00 0.00 55.73 57.84 1rtd s ARG 356 Cb 0.00 -3.13 0.19 0.00 -1.56 0.00 0.00 34.95 30.44 1rtd s ARG 356 CO 0.00 -0.47 0.59 1.41 -0.81 0.00 0.00 175.30 176.02 1rtd s MET 357 N 0.17 2.99 -0.42 5.12 1.75 -1.26 -4.98 119.30 122.67 1rtd s MET 357 Ca 0.63 -2.62 -0.19 0.00 -1.25 0.00 0.00 55.69 52.25 1rtd s MET 357 Cb -0.42 -3.98 0.02 0.00 2.84 0.00 0.00 34.83 33.29 1rtd s MET 357 CO 0.39 -1.22 0.56 0.50 -0.65 0.00 0.00 175.02 174.60 1rtd s ARG 358 N -0.19 3.28 0.00 4.11 3.52 -1.26 -4.92 118.95 123.49 1rtd s ARG 358 Ca 0.19 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 1rtd s ARG 358 Cb -0.16 -3.93 0.00 0.00 -1.56 0.00 0.00 34.95 29.30 1rtd s ARG 358 CO -0.06 -0.90 0.00 0.41 -0.81 0.00 0.00 175.30 173.94 1rtd n GLY 359 N 5.02 2.37 0.11 8.12 0.00 -1.26 -4.81 105.19 114.73 1rtd n GLY 359 Ca -0.04 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.87 1rtd n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rtd n ALA 360 N 0.87 1.22 -3.79 4.61 0.00 -1.26 -4.79 120.51 117.37 1rtd n ALA 360 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 53.44 52.42 1rtd n ALA 360 Cb 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 1rtd n ALA 360 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1rtd s HIS 361 N -2.57 2.30 0.15 0.00 3.76 -1.26 -1.74 115.29 115.92 1rtd s HIS 361 Ca -0.14 -2.44 0.00 0.00 -0.15 0.00 0.00 55.06 52.33 1rtd s HIS 361 Cb 0.07 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.66 1rtd s HIS 361 CO 0.79 -0.82 0.04 0.25 -0.85 0.00 0.00 174.74 174.15 1rtd n THR 362 N 3.87 0.00 -4.21 1.30 -2.24 -1.21 -4.79 114.28 107.00 1rtd n THR 362 Ca 0.05 -0.65 -0.14 0.00 -2.27 0.00 0.00 64.05 61.04 1rtd n THR 362 Cb 0.37 -0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.46 1rtd n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rtd s ASN 363 N -1.83 0.62 0.14 3.42 2.20 -1.26 -0.96 114.94 117.26 1rtd s ASN 363 Ca 0.03 -1.48 -0.18 0.00 -0.94 0.00 0.00 52.86 50.30 1rtd s ASN 363 Cb -0.00 0.46 -0.02 0.00 -2.00 0.00 0.00 41.25 39.68 1rtd s ASN 363 CO 0.02 -0.94 1.79 0.44 -2.94 0.00 0.00 177.10 175.47 1rtd h ASP 364 N 2.44 0.37 0.37 3.54 3.32 -1.91 -1.48 116.42 123.07 1rtd h ASP 364 Ca -0.32 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1rtd h ASP 364 Cb 1.24 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1rtd h ASP 364 CO 0.47 0.27 -0.24 0.58 -1.72 0.00 0.00 179.24 178.60 1rtd h VAL 365 N 0.43 0.50 -0.92 -1.35 2.07 -1.95 0.52 116.25 115.55 1rtd h VAL 365 Ca 0.12 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.77 1rtd h VAL 365 Cb -0.04 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 1rtd h VAL 365 CO -0.02 0.00 0.54 0.11 0.02 0.00 0.00 177.57 178.21 1rtd h LYS 366 N -0.59 0.77 -0.05 1.57 1.57 -1.97 0.12 116.57 117.99 1rtd h LYS 366 Ca -0.04 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 1rtd h LYS 366 Cb 0.50 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1rtd h LYS 366 CO 0.03 0.51 -0.72 1.96 -0.57 0.00 0.00 179.45 180.67 1rtd h GLN 367 N 0.80 0.26 -0.46 3.15 4.20 -0.67 -2.40 115.11 119.99 1rtd h GLN 367 Ca 0.48 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.89 1rtd h GLN 367 Cb 0.59 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1rtd h GLN 367 CO -0.31 0.87 -0.02 1.25 -0.67 0.00 0.00 178.83 179.94 1rtd h LEU 368 N 0.18 0.83 -0.26 1.46 6.46 0.17 -2.12 115.31 122.04 1rtd h LEU 368 Ca -0.02 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1rtd h LEU 368 Cb 1.28 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1rtd h LEU 368 CO 0.11 0.95 0.16 0.74 -0.62 0.00 0.00 178.44 179.78 1rtd h THR 369 N 0.68 1.08 0.00 1.05 2.02 -0.70 0.40 112.91 117.45 1rtd h THR 369 Ca 0.13 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1rtd h THR 369 Cb 0.54 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1rtd h THR 369 CO 0.03 0.08 0.00 1.05 0.37 0.00 0.00 175.52 177.05 1rtd h GLU 370 N 0.33 0.00 0.01 6.66 4.11 -1.29 -1.96 114.58 122.44 1rtd h GLU 370 Ca 0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.48 1rtd h GLU 370 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rtd h GLU 370 CO -0.02 0.00 -0.19 0.00 0.07 0.00 0.00 179.01 178.88 1rtd h ALA 371 N 2.35 0.01 -0.94 1.06 0.00 -0.61 -2.20 119.26 118.92 1rtd h ALA 371 Ca 0.00 -0.47 0.12 0.00 0.00 0.00 0.00 54.91 54.56 1rtd h ALA 371 Cb 0.52 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1rtd h ALA 371 CO 0.00 0.04 0.60 0.28 0.00 0.00 0.00 179.25 180.18 1rtd h VAL 372 N -0.65 0.92 -0.30 0.00 2.07 -0.47 -0.22 116.25 117.60 1rtd h VAL 372 Ca -0.03 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.05 1rtd h VAL 372 Cb 1.00 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1rtd h VAL 372 CO 0.04 0.16 -0.34 1.56 0.02 0.00 0.00 177.57 179.01 1rtd h GLN 373 N 0.90 0.75 -0.55 1.57 4.20 -1.39 -1.86 115.11 118.74 1rtd h GLN 373 Ca 0.46 -0.41 0.05 0.00 0.06 0.00 0.00 58.65 58.80 1rtd h GLN 373 Cb 0.51 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1rtd h GLN 373 CO -0.22 1.04 0.36 -0.22 -0.67 0.00 0.00 178.83 179.12 1rtd h LYS 374 N 0.51 0.55 0.32 1.46 3.64 -0.38 -1.06 116.57 121.61 1rtd h LYS 374 Ca 0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1rtd h LYS 374 Cb 0.92 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1rtd h LYS 374 CO 0.08 0.37 -0.15 0.82 -2.27 0.00 0.00 179.45 178.29 1rtd h ILE 375 N 0.57 0.20 -0.84 2.00 2.04 -1.33 -2.59 117.51 117.55 1rtd h ILE 375 Ca 0.23 -0.75 0.21 0.00 1.00 0.00 0.00 64.86 65.55 1rtd h ILE 375 Cb 0.19 0.33 -0.14 0.00 -0.74 0.00 0.00 36.82 36.47 1rtd h ILE 375 CO -0.06 0.05 0.17 0.74 0.00 0.00 0.00 178.15 179.05 1rtd h THR 376 N -1.07 0.34 0.18 -0.27 2.02 -1.00 0.42 112.91 113.53 1rtd h THR 376 Ca -0.04 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1rtd h THR 376 Cb 0.41 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1rtd h THR 376 CO 0.07 0.04 -0.09 0.74 0.37 0.00 0.00 175.52 176.65 1rtd h THR 377 N 0.19 0.88 0.00 3.16 2.02 -1.27 -2.23 112.91 115.66 1rtd h THR 377 Ca 0.51 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1rtd h THR 377 Cb 0.98 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1rtd h THR 377 CO -0.65 0.06 0.00 -1.84 0.37 0.00 0.00 175.52 173.47 1rtd n GLU 378 N -5.14 0.07 0.12 6.66 0.28 -0.24 -2.94 120.64 119.44 1rtd n GLU 378 Ca -0.09 0.09 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 1rtd n GLU 378 Cb 0.17 -1.59 -0.14 0.00 1.43 0.00 0.00 31.44 31.31 1rtd n GLU 378 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1rtd h SER 379 N 0.00 0.67 0.36 -1.84 0.02 -0.03 -2.25 113.55 110.48 1rtd h SER 379 Ca 0.00 -0.69 -0.07 0.00 -0.84 0.00 0.00 61.79 60.19 1rtd h SER 379 Cb 0.53 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1rtd h SER 379 CO 0.00 1.53 -0.35 0.40 -1.14 0.00 0.00 176.83 177.27 1rtd h ILE 380 N 0.15 1.23 -0.17 3.27 2.04 -1.28 0.11 117.51 122.86 1rtd h ILE 380 Ca -0.19 -1.20 -0.20 0.00 1.00 0.00 0.00 64.86 64.27 1rtd h ILE 380 Cb 2.01 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1rtd h ILE 380 CO 0.24 0.34 -0.66 0.58 0.00 0.00 0.00 178.15 178.65 1rtd h VAL 381 N 0.00 1.30 0.00 1.67 2.07 -1.41 -1.45 116.25 118.42 1rtd h VAL 381 Ca -0.00 -1.88 -0.10 0.00 0.82 0.00 0.00 66.70 65.54 1rtd h VAL 381 Cb 0.62 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1rtd h VAL 381 CO 0.05 0.59 -0.53 0.40 0.02 0.00 0.00 177.57 178.10 1rtd h ILE 382 N 0.46 1.38 -0.02 4.57 2.04 -1.12 -3.41 117.51 121.41 1rtd h ILE 382 Ca -0.03 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1rtd h ILE 382 Cb 1.29 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1rtd h ILE 382 CO 0.14 0.47 0.00 0.79 0.00 0.00 0.00 178.15 179.55 1rtd n TRP 383 N -4.54 0.01 -1.25 1.37 8.01 0.37 -4.70 117.44 116.70 1rtd n TRP 383 Ca -0.19 -0.01 -0.09 0.00 -1.31 0.00 0.00 57.50 55.90 1rtd n TRP 383 Cb 0.55 -0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.81 1rtd n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1rtd n GLY 384 N 0.63 1.02 3.49 6.99 0.00 -0.55 -4.96 105.19 111.81 1rtd n GLY 384 Ca 0.07 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1rtd n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rtd s LYS 385 N -2.53 1.41 -0.11 1.61 -2.85 -1.25 -4.90 119.74 111.12 1rtd s LYS 385 Ca 0.00 -1.22 -0.08 0.00 -1.00 0.00 0.00 55.97 53.67 1rtd s LYS 385 Cb 0.00 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1rtd s LYS 385 CO 0.00 -0.56 0.18 0.95 0.10 0.00 0.00 175.35 176.01 1rtd s THR 386 N -4.00 5.44 0.73 3.79 -4.23 -1.26 -2.93 115.64 113.18 1rtd s THR 386 Ca 0.21 0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.97 1rtd s THR 386 Cb 0.01 -3.45 0.11 0.00 1.34 0.00 0.00 72.50 70.51 1rtd s THR 386 CO 0.06 0.60 1.02 -2.16 -0.54 0.00 0.00 174.62 173.60 1rtd s PRO 387 N -0.90 1.74 -0.09 3.99 0.04 -1.26 -4.91 135.00 133.61 1rtd s PRO 387 Ca 0.16 -0.75 -0.17 0.00 0.04 0.00 0.00 61.00 60.28 1rtd s PRO 387 Cb -0.13 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1rtd s PRO 387 CO 0.05 -1.46 0.44 0.15 0.04 0.00 0.00 177.00 176.21 1rtd s LYS 388 N -5.24 4.23 0.02 4.56 1.02 -0.33 -4.65 119.74 119.35 1rtd s LYS 388 Ca 0.65 0.40 -0.00 0.00 0.02 0.00 0.00 55.97 57.04 1rtd s LYS 388 Cb -0.07 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1rtd s LYS 388 CO 0.45 0.30 0.12 -0.06 -0.92 0.00 0.00 175.35 175.24 1rtd s PHE 389 N 0.17 3.36 -0.32 3.18 0.08 -0.66 -0.65 117.98 123.13 1rtd s PHE 389 Ca 0.24 0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.53 1rtd s PHE 389 Cb -0.15 -1.74 0.08 0.00 -0.57 0.00 0.00 43.02 40.64 1rtd s PHE 389 CO 0.10 0.57 0.01 0.15 -0.10 0.00 0.00 175.22 175.95 1rtd s LYS 390 N -2.00 1.94 0.01 0.44 -0.14 -0.27 -0.47 119.74 119.25 1rtd s LYS 390 Ca 0.27 -1.60 0.04 0.00 -1.36 0.00 0.00 55.97 53.32 1rtd s LYS 390 Cb -0.12 -3.14 -0.03 0.00 -1.68 0.00 0.00 37.83 32.85 1rtd s LYS 390 CO 0.18 -0.78 -0.11 -0.51 -0.76 0.00 0.00 175.35 173.37 1rtd s LEU 391 N 1.05 2.93 0.00 3.17 1.43 -0.44 -2.51 118.68 124.31 1rtd s LEU 391 Ca 0.01 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1rtd s LEU 391 Cb -0.20 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1rtd s LEU 391 CO -0.05 0.28 1.90 -2.65 0.23 0.00 0.00 176.35 176.06 1rtd n PRO 392 N 1.67 0.96 -4.25 1.29 -0.02 -1.26 -2.32 135.00 131.08 1rtd n PRO 392 Ca -0.16 -0.09 -0.17 0.00 -2.02 0.00 0.00 63.50 61.06 1rtd n PRO 392 Cb 0.52 -1.15 -0.13 0.00 -0.02 0.00 0.00 33.50 32.72 1rtd n PRO 392 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1rtd s ILE 393 N 0.36 0.80 0.49 4.25 2.07 -1.26 -0.82 121.20 127.08 1rtd s ILE 393 Ca 0.06 -0.79 -0.20 0.00 -1.41 0.00 0.00 60.65 58.31 1rtd s ILE 393 Cb 0.03 -0.74 -0.08 0.00 0.13 0.00 0.00 42.46 41.80 1rtd s ILE 393 CO 0.00 -0.04 1.03 -1.10 -1.91 0.00 0.00 174.94 172.92 1rtd s GLN 394 N -0.93 3.82 0.45 3.50 -1.52 -1.26 -4.61 119.66 119.11 1rtd s GLN 394 Ca -0.01 1.32 0.15 0.00 -1.95 0.00 0.00 55.36 54.87 1rtd s GLN 394 Cb -0.07 -2.10 1.02 0.00 -0.22 0.00 0.00 33.01 31.64 1rtd s GLN 394 CO 0.01 -0.41 2.00 0.87 -0.25 0.00 0.00 175.29 177.51 1rtd h LYS 395 N 1.52 0.00 0.00 2.91 1.79 -1.99 -1.67 116.57 119.13 1rtd h LYS 395 Ca -0.49 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 57.83 1rtd h LYS 395 Cb 1.22 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 1rtd h LYS 395 CO 0.59 0.18 -0.75 0.93 -1.08 0.00 0.00 179.45 179.31 1rtd h GLU 396 N 0.00 0.00 -0.05 3.15 3.07 -1.98 -1.37 114.58 117.39 1rtd h GLU 396 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1rtd h GLU 396 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1rtd h GLU 396 CO 0.02 0.63 -0.15 1.15 -1.40 0.00 0.00 179.01 179.26 1rtd h THR 397 N 0.00 1.44 -0.54 1.13 2.02 -1.77 -2.20 112.91 112.98 1rtd h THR 397 Ca -0.03 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.59 1rtd h THR 397 Cb 1.53 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 70.23 1rtd h THR 397 CO 0.08 0.43 0.25 -0.25 0.37 0.00 0.00 175.52 176.40 1rtd h TRP 398 N -0.33 0.79 -0.90 3.16 2.91 -1.38 -1.52 115.95 118.68 1rtd h TRP 398 Ca -0.00 -0.04 0.01 0.00 1.13 0.00 0.00 58.89 59.98 1rtd h TRP 398 Cb 0.77 -0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 29.13 1rtd h TRP 398 CO 0.13 0.63 0.60 1.49 -1.03 0.00 0.00 178.44 180.25 1rtd h GLU 399 N 0.73 1.19 -0.01 2.65 4.81 -1.23 -0.99 114.58 121.73 1rtd h GLU 399 Ca 0.19 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1rtd h GLU 399 Cb 0.14 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1rtd h GLU 399 CO -0.02 0.79 -0.41 1.15 -0.73 0.00 0.00 179.01 179.78 1rtd h THR 400 N 1.22 1.30 0.21 0.32 2.02 -1.07 -2.67 112.91 114.24 1rtd h THR 400 Ca 0.33 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 1rtd h THR 400 Cb -0.14 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1rtd h THR 400 CO -0.07 0.41 -0.10 -0.25 0.37 0.00 0.00 175.52 175.88 1rtd h TRP 401 N 0.01 -0.26 -0.95 3.16 2.91 -0.19 -3.16 115.95 117.47 1rtd h TRP 401 Ca -0.00 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.04 1rtd h TRP 401 Cb 0.74 0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.42 1rtd h TRP 401 CO 0.00 -0.16 0.63 0.11 -1.03 0.00 0.00 178.44 177.99 1rtd h TRP 402 N -0.55 1.17 0.00 2.65 5.08 -1.29 0.14 115.95 123.16 1rtd h TRP 402 Ca -0.03 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 59.90 1rtd h TRP 402 Cb 0.21 -0.39 -0.01 0.00 -3.00 0.00 0.00 29.16 25.97 1rtd h TRP 402 CO 0.05 0.69 -0.31 1.79 -1.28 0.00 0.00 178.44 179.38 1rtd h THR 403 N 1.22 1.01 0.00 0.12 1.35 -1.64 -3.17 112.91 111.80 1rtd h THR 403 Ca 0.37 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1rtd h THR 403 Cb -0.02 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1rtd h THR 403 CO -0.11 0.31 -1.45 -0.62 -0.25 0.00 0.00 175.52 173.40 1rtd n GLU 404 N -3.85 0.56 -2.53 4.72 -0.58 -0.78 -4.98 120.64 113.20 1rtd n GLU 404 Ca -0.01 -0.04 -0.33 0.00 -0.42 0.00 0.00 57.16 56.35 1rtd n GLU 404 Cb 0.39 -1.64 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 1rtd n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1rtd s TYR 405 N -3.39 3.24 -0.26 -0.32 5.04 -0.03 -5.00 117.35 116.62 1rtd s TYR 405 Ca -0.03 1.55 0.21 0.00 -2.44 0.00 0.00 57.07 56.36 1rtd s TYR 405 Cb 0.13 -2.90 0.06 0.00 0.35 0.00 0.00 41.96 39.60 1rtd s TYR 405 CO 0.85 -0.48 1.18 0.11 -1.34 0.00 0.00 175.55 175.86 1rtd h TRP 406 N 1.34 0.00 -3.50 4.97 0.09 -1.91 -3.46 115.95 113.48 1rtd h TRP 406 Ca -0.48 0.00 -0.49 0.00 0.09 0.00 0.00 58.89 58.01 1rtd h TRP 406 Cb 1.20 0.00 0.03 0.00 0.08 0.00 0.00 29.16 30.47 1rtd h TRP 406 CO 0.61 0.12 0.08 -0.65 0.09 0.00 0.00 178.44 178.70 1rtd s GLN 407 N -3.23 3.52 0.01 0.12 -1.52 -1.26 -5.05 119.66 112.25 1rtd s GLN 407 Ca 0.01 0.14 -0.28 0.00 -1.95 0.00 0.00 55.36 53.29 1rtd s GLN 407 Cb 0.08 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.43 1rtd s GLN 407 CO 0.76 -0.19 0.88 0.00 -0.25 0.00 0.00 175.29 176.49 1rtd s ALA 408 N -2.71 3.25 -0.00 6.09 0.00 -1.26 -5.05 121.76 122.08 1rtd s ALA 408 Ca 0.47 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 1rtd s ALA 408 Cb -0.10 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 1rtd s ALA 408 CO 0.44 -0.12 0.06 -0.08 0.00 0.00 0.00 175.76 176.06 1rtd s THR 409 N 0.62 0.06 -0.24 0.00 -1.32 -1.26 -5.16 115.64 108.34 1rtd s THR 409 Ca 0.46 -0.52 -0.26 0.00 -1.21 0.00 0.00 61.69 60.16 1rtd s THR 409 Cb -0.21 -0.26 0.08 0.00 -1.51 0.00 0.00 72.50 70.60 1rtd s THR 409 CO 0.25 -0.28 0.77 0.86 -2.21 0.00 0.00 174.62 174.01 1rtd s TRP 410 N -0.90 -0.71 -0.05 9.09 -0.00 -1.26 -5.01 118.94 120.11 1rtd s TRP 410 Ca -0.10 1.65 0.05 0.00 -0.00 0.00 0.00 56.10 57.70 1rtd s TRP 410 Cb -0.06 0.31 -0.01 0.00 -0.00 0.00 0.00 33.47 33.71 1rtd s TRP 410 CO 0.00 -0.39 -0.21 0.42 -0.00 0.00 0.00 176.95 176.78 1rtd s ILE 411 N 0.08 1.69 0.00 5.86 1.01 -1.26 -5.04 121.20 123.54 1rtd s ILE 411 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1rtd s ILE 411 Cb -0.04 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1rtd s ILE 411 CO 0.01 0.48 0.00 -2.65 0.00 0.00 0.00 174.94 172.78 1rtd n PRO 412 N 3.02 1.90 -2.28 2.79 -0.02 -1.26 -4.84 135.00 134.31 1rtd n PRO 412 Ca -0.18 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 1rtd n PRO 412 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.98 1rtd n PRO 412 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1rtd s GLU 413 N 0.00 4.27 0.08 -0.52 2.12 -1.26 -4.97 118.70 118.41 1rtd s GLU 413 Ca 0.00 1.87 -0.06 0.00 0.36 0.00 0.00 54.97 57.15 1rtd s GLU 413 Cb 0.00 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 1rtd s GLU 413 CO 0.00 -0.61 0.11 1.67 -0.54 0.00 0.00 175.26 175.89 1rtd s TRP 414 N 2.79 0.30 0.04 5.30 1.48 -1.26 -1.66 118.94 125.93 1rtd s TRP 414 Ca 0.62 -0.77 0.04 0.00 -1.06 0.00 0.00 56.10 54.93 1rtd s TRP 414 Cb -0.28 -0.19 -0.02 0.00 -1.16 0.00 0.00 33.47 31.82 1rtd s TRP 414 CO 0.23 -0.49 -0.13 -2.00 -4.06 0.00 0.00 176.95 170.51 1rtd s GLU 415 N -3.89 0.85 -0.19 3.25 2.12 0.38 -4.95 118.70 116.28 1rtd s GLU 415 Ca 0.06 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 54.35 1rtd s GLU 415 Cb 0.06 -0.84 0.00 0.00 0.26 0.00 0.00 34.13 33.62 1rtd s GLU 415 CO -0.10 0.20 1.06 0.12 -0.54 0.00 0.00 175.26 176.00 1rtd s PHE 416 N -0.92 3.32 -0.21 5.30 5.36 -1.26 -1.32 117.98 128.25 1rtd s PHE 416 Ca -0.00 1.44 -0.05 0.00 -0.96 0.00 0.00 56.93 57.36 1rtd s PHE 416 Cb -0.08 -3.28 -0.02 0.00 -0.34 0.00 0.00 43.02 39.29 1rtd s PHE 416 CO 0.01 -0.59 -0.00 0.54 -1.46 0.00 0.00 175.22 173.72 1rtd s VAL 417 N 2.92 3.87 -1.46 3.12 0.11 -0.98 -4.92 120.40 123.06 1rtd s VAL 417 Ca 0.47 -0.34 -0.08 0.00 -2.93 0.00 0.00 61.98 59.10 1rtd s VAL 417 Cb -0.17 -2.75 -0.02 0.00 -1.53 0.00 0.00 36.38 31.91 1rtd s VAL 417 CO 0.10 0.42 2.77 -3.20 -3.33 0.00 0.00 175.10 171.87 1rtd n ASN 418 N 4.37 8.40 -4.12 3.54 2.85 -1.26 -4.43 115.26 124.61 1rtd n ASN 418 Ca -0.17 -2.79 -0.36 0.00 -0.11 0.00 0.00 54.58 51.15 1rtd n ASN 418 Cb 0.52 -1.48 -0.12 0.00 1.24 0.00 0.00 39.78 39.94 1rtd n ASN 418 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1rtd s THR 419 N 0.86 3.18 0.81 -0.44 -1.32 -1.26 -5.10 115.64 112.36 1rtd s THR 419 Ca 0.64 -1.95 -0.13 0.00 -1.21 0.00 0.00 61.69 59.03 1rtd s THR 419 Cb 0.19 -3.13 0.08 0.00 -1.51 0.00 0.00 72.50 68.12 1rtd s THR 419 CO -0.07 -0.58 1.15 -2.65 -2.21 0.00 0.00 174.62 170.25 1rtd n PRO 420 N 4.58 0.18 -2.20 7.08 -0.02 -1.26 -4.31 135.00 139.05 1rtd n PRO 420 Ca -0.04 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.15 1rtd n PRO 420 Cb 0.42 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1rtd n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rtd s PRO 421 N -4.02 3.72 0.57 0.52 0.04 -1.26 -4.96 135.00 129.61 1rtd s PRO 421 Ca 0.73 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 1rtd s PRO 421 Cb -0.29 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 1rtd s PRO 421 CO 0.51 -1.38 1.14 -0.51 0.04 0.00 0.00 177.00 176.81 1rtd s LEU 422 N 5.29 3.68 -0.34 -3.56 1.43 -1.26 -4.56 118.68 119.36 1rtd s LEU 422 Ca 0.68 2.19 -0.18 0.00 -1.03 0.00 0.00 54.13 55.78 1rtd s LEU 422 Cb -0.21 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.42 1rtd s LEU 422 CO 0.29 -1.34 0.52 -0.69 0.23 0.00 0.00 176.35 175.36 1rtd s VAL 423 N -1.82 5.01 0.12 -1.59 1.01 0.00 -5.05 120.40 118.08 1rtd s VAL 423 Ca 0.73 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.08 1rtd s VAL 423 Cb -0.24 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1rtd s VAL 423 CO 0.30 -0.20 0.09 -1.59 0.00 0.00 0.00 175.10 173.70 1rtd s LYS 424 N 2.41 0.90 -0.46 2.72 -2.85 -1.26 -4.44 119.74 116.76 1rtd s LYS 424 Ca 0.19 -1.32 -0.25 0.00 -1.00 0.00 0.00 55.97 53.59 1rtd s LYS 424 Cb -0.15 0.27 0.03 0.00 -2.06 0.00 0.00 37.83 35.91 1rtd s LYS 424 CO 0.13 -0.26 0.92 -0.51 0.10 0.00 0.00 175.35 175.73 1rtd s LEU 425 N -3.00 4.01 0.09 2.77 1.43 -1.26 -4.84 118.68 117.88 1rtd s LEU 425 Ca 0.19 0.10 0.15 0.00 -1.03 0.00 0.00 54.13 53.53 1rtd s LEU 425 Cb 0.07 -3.18 0.64 0.00 0.03 0.00 0.00 46.19 43.75 1rtd s LEU 425 CO -0.02 -1.06 1.45 0.79 0.23 0.00 0.00 176.35 177.75 1rtd n TRP 426 N 7.17 0.26 -3.62 0.29 7.02 -1.26 -4.80 117.44 122.50 1rtd n TRP 426 Ca 0.06 0.11 -0.06 0.00 -1.02 0.00 0.00 57.50 56.59 1rtd n TRP 426 Cb 0.48 -0.68 -0.02 0.00 -2.42 0.00 0.00 31.31 28.68 1rtd n TRP 426 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 1rtd s TYR 427 N -3.13 -0.25 -0.26 -5.99 1.13 -1.26 -4.59 117.35 103.01 1rtd s TYR 427 Ca 0.04 0.03 -0.02 0.00 -1.41 0.00 0.00 57.07 55.71 1rtd s TYR 427 Cb 0.07 0.59 0.15 0.00 -1.10 0.00 0.00 41.96 41.66 1rtd s TYR 427 CO 0.24 -0.68 0.42 -1.14 -2.51 0.00 0.00 175.55 171.88 1rtd s GLN 428 N -3.21 0.39 0.56 -3.49 0.74 -1.26 -5.02 119.66 108.38 1rtd s GLN 428 Ca 0.08 0.62 -0.20 0.00 0.05 0.00 0.00 55.36 55.91 1rtd s GLN 428 Cb -0.01 -0.27 -0.04 0.00 1.10 0.00 0.00 33.01 33.79 1rtd s GLN 428 CO -0.04 -0.65 1.24 -0.51 -0.55 0.00 0.00 175.29 174.78 1rtd s LEU 429 N 2.61 3.76 0.51 3.68 1.43 -1.26 -4.73 118.68 124.68 1rtd s LEU 429 Ca 0.14 2.47 -0.19 0.00 -1.03 0.00 0.00 54.13 55.53 1rtd s LEU 429 Cb -0.15 -4.47 -0.07 0.00 0.03 0.00 0.00 46.19 41.52 1rtd s LEU 429 CO -0.17 -1.51 1.05 -1.61 0.23 0.00 0.00 176.35 174.34 1rtd s GLU 430 N -3.14 3.68 0.00 1.70 0.41 -0.01 -4.98 118.70 116.38 1rtd s GLU 430 Ca 0.74 1.33 -0.19 0.00 -0.41 0.00 0.00 54.97 56.45 1rtd s GLU 430 Cb -0.33 -2.08 -0.31 0.00 -1.78 0.00 0.00 34.13 29.63 1rtd s GLU 430 CO 0.37 -0.53 0.99 -0.22 -0.49 0.00 0.00 175.26 175.39 1rtd h LYS 431 N 1.30 0.45 -6.78 1.61 3.64 -1.94 -3.44 116.57 111.42 1rtd h LYS 431 Ca -0.49 -0.69 -0.69 0.00 -1.27 0.00 0.00 60.65 57.51 1rtd h LYS 431 Cb 1.22 0.24 -0.22 0.00 -0.41 0.00 0.00 32.23 33.07 1rtd h LYS 431 CO 0.59 1.31 -0.84 -1.21 -2.27 0.00 0.00 179.45 177.02 1rtd s GLU 432 N -2.70 1.67 0.27 1.90 8.01 -1.26 -5.11 118.70 121.49 1rtd s GLU 432 Ca -0.11 -1.21 -0.30 0.00 0.01 0.00 0.00 54.97 53.36 1rtd s GLU 432 Cb 0.03 -2.01 -0.11 0.00 -4.31 0.00 0.00 34.13 27.73 1rtd s GLU 432 CO 0.88 0.48 1.56 -1.25 0.01 0.00 0.00 175.26 176.94 1rtd s PRO 433 N -1.84 4.17 0.03 0.39 0.04 -1.26 -4.93 135.00 131.60 1rtd s PRO 433 Ca 0.15 2.49 -0.30 0.00 0.04 0.00 0.00 61.00 63.37 1rtd s PRO 433 Cb -0.10 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 1rtd s PRO 433 CO 0.06 -0.58 1.59 0.42 0.04 0.00 0.00 177.00 178.54 1rtd s ILE 434 N 0.16 3.30 -0.02 0.56 1.01 -1.26 -4.99 121.20 119.96 1rtd s ILE 434 Ca 0.63 0.67 -0.25 0.00 0.00 0.00 0.00 60.65 61.70 1rtd s ILE 434 Cb -0.46 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1rtd s ILE 434 CO 0.44 -0.01 0.77 -0.69 0.00 0.00 0.00 174.94 175.46 1rtd s VAL 435 N 2.82 4.91 0.00 2.92 1.01 -1.26 -3.79 120.40 127.01 1rtd s VAL 435 Ca 0.71 1.62 0.00 0.00 0.00 0.00 0.00 61.98 64.32 1rtd s VAL 435 Cb -0.37 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1rtd s VAL 435 CO 0.30 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1rtd n GLY 436 N 2.82 0.83 3.27 4.51 0.00 -1.26 -5.08 105.19 110.29 1rtd n GLY 436 Ca -0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 1rtd n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rtd s ALA 437 N -2.00 1.70 0.16 4.61 0.00 -1.25 -5.08 121.76 119.90 1rtd s ALA 437 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 1rtd s ALA 437 Cb 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 1rtd s ALA 437 CO 0.00 0.27 1.11 -2.00 0.00 0.00 0.00 175.76 175.15 1rtd s GLU 438 N -2.13 4.57 -0.32 0.00 2.12 -1.26 -4.86 118.70 116.82 1rtd s GLU 438 Ca 0.07 1.73 -0.18 0.00 0.36 0.00 0.00 54.97 56.95 1rtd s GLU 438 Cb -0.09 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1rtd s GLU 438 CO 0.04 0.03 0.52 0.99 -0.54 0.00 0.00 175.26 176.30 1rtd s THR 439 N -0.09 5.02 -0.41 -1.70 2.01 -1.26 -2.40 115.64 116.81 1rtd s THR 439 Ca 0.50 0.52 -0.11 0.00 0.31 0.00 0.00 61.69 62.91 1rtd s THR 439 Cb -0.29 -3.93 0.06 0.00 0.01 0.00 0.00 72.50 68.34 1rtd s THR 439 CO 0.34 -0.13 0.26 -0.36 -0.69 0.00 0.00 174.62 174.04 1rtd s PHE 440 N 2.39 3.29 -0.22 4.92 0.40 0.17 -2.55 117.98 126.38 1rtd s PHE 440 Ca 0.20 -1.21 -0.20 0.00 -0.60 0.00 0.00 56.93 55.12 1rtd s PHE 440 Cb -0.15 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.57 1rtd s PHE 440 CO 0.12 -0.76 0.59 0.71 0.70 0.00 0.00 175.22 176.58 1rtd s TYR 441 N 1.51 3.34 0.07 0.36 1.51 -0.16 -0.57 117.35 123.41 1rtd s TYR 441 Ca 0.03 0.83 0.09 0.00 -1.01 0.00 0.00 57.07 57.00 1rtd s TYR 441 Cb -0.22 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 38.83 1rtd s TYR 441 CO 0.05 -0.21 -0.23 0.14 -1.11 0.00 0.00 175.55 174.19 1rtd s VAL 442 N 2.04 1.89 0.29 0.71 -7.23 -0.98 -2.08 120.40 115.05 1rtd s VAL 442 Ca 0.26 -1.40 -0.10 0.00 -1.81 0.00 0.00 61.98 58.92 1rtd s VAL 442 Cb -0.16 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.13 1rtd s VAL 442 CO 0.10 0.18 0.52 -0.62 -0.31 0.00 0.00 175.10 174.96 1rtd s ASP 443 N -1.48 0.19 -0.30 4.85 -1.08 -1.09 -4.27 116.67 113.51 1rtd s ASP 443 Ca 0.09 -1.10 -0.18 0.00 -0.52 0.00 0.00 52.55 50.84 1rtd s ASP 443 Cb -0.10 0.64 0.19 0.00 -1.46 0.00 0.00 42.92 42.19 1rtd s ASP 443 CO 0.03 -1.26 1.19 -0.83 0.52 0.00 0.00 175.17 174.83 1rtd s GLY 444 N -3.08 0.12 0.49 2.66 0.00 -1.26 -2.26 107.32 103.98 1rtd s GLY 444 Ca 0.24 3.45 0.07 0.00 0.00 0.00 0.00 44.72 48.47 1rtd s GLY 444 CO 0.12 3.38 0.40 0.00 0.00 0.00 0.00 173.10 177.00 1rtd s ALA 445 N 2.22 4.24 -0.18 3.20 0.00 -0.40 -3.67 121.76 127.17 1rtd s ALA 445 Ca -0.01 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.09 1rtd s ALA 445 Cb -0.03 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.30 1rtd s ALA 445 CO -0.16 -0.37 0.60 0.00 0.00 0.00 0.00 175.76 175.83 1rtd s ALA 446 N -2.64 -1.50 -0.28 0.00 0.00 -1.26 -1.52 121.76 114.56 1rtd s ALA 446 Ca 0.42 1.54 -0.20 0.00 0.00 0.00 0.00 51.96 53.72 1rtd s ALA 446 Cb -0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1rtd s ALA 446 CO 0.25 -0.30 0.61 1.21 0.00 0.00 0.00 175.76 177.53 1rtd s ASN 447 N -0.09 6.52 0.02 0.00 3.04 -0.15 -4.76 114.94 119.52 1rtd s ASN 447 Ca -0.03 0.56 0.15 0.00 0.04 0.00 0.00 52.86 53.57 1rtd s ASN 447 Cb -0.04 -2.32 0.63 0.00 -1.54 0.00 0.00 41.25 37.98 1rtd s ASN 447 CO 0.03 -0.40 1.47 -2.11 -3.04 0.00 0.00 177.10 173.05 1rtd n ARG 448 N 5.75 0.01 -0.07 0.43 1.85 -1.26 -1.11 116.66 122.27 1rtd n ARG 448 Ca -0.01 0.27 -0.07 0.00 -1.00 0.00 0.00 57.85 57.03 1rtd n ARG 448 Cb 0.49 -1.53 -0.15 0.00 -1.05 0.00 0.00 32.46 30.22 1rtd n ARG 448 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1rtd n GLU 449 N -1.55 0.67 0.00 2.89 1.02 -1.26 -4.46 120.64 117.94 1rtd n GLU 449 Ca 0.03 0.05 0.06 0.00 -0.02 0.00 0.00 57.16 57.29 1rtd n GLU 449 Cb 0.17 -1.60 -0.06 0.00 -0.02 0.00 0.00 31.44 29.93 1rtd n GLU 449 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1rtd n THR 450 N -2.78 0.00 -1.10 2.62 -2.24 -1.16 -5.00 114.28 104.62 1rtd n THR 450 Ca -0.25 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.27 1rtd n THR 450 Cb 1.06 1.04 -0.01 0.00 -2.10 0.00 0.00 70.33 70.31 1rtd n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rtd n LYS 451 N -1.06 -1.40 -3.21 -0.78 4.76 -0.27 -5.01 118.16 111.19 1rtd n LYS 451 Ca 0.03 0.52 -0.21 0.00 -2.87 0.00 0.00 58.31 55.78 1rtd n LYS 451 Cb 0.23 -4.65 0.00 0.00 -1.84 0.00 0.00 35.03 28.78 1rtd n LYS 451 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1rtd s LEU 452 N -0.78 3.79 0.05 -0.35 1.43 -1.24 -1.67 118.68 119.91 1rtd s LEU 452 Ca 0.00 0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.87 1rtd s LEU 452 Cb 0.00 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.36 1rtd s LEU 452 CO 0.00 -0.59 1.10 -0.83 0.23 0.00 0.00 176.35 176.26 1rtd s GLY 453 N -4.20 -0.33 0.11 -3.19 0.00 -0.76 -0.97 107.32 97.98 1rtd s GLY 453 Ca 0.47 0.55 0.07 0.00 0.00 0.00 0.00 44.72 45.81 1rtd s GLY 453 CO 0.35 0.12 -0.18 0.54 0.00 0.00 0.00 173.10 173.93 1rtd s LYS 454 N -2.87 1.07 -0.13 2.90 1.02 -0.58 0.46 119.74 121.62 1rtd s LYS 454 Ca 0.12 -1.18 -0.10 0.00 0.02 0.00 0.00 55.97 54.84 1rtd s LYS 454 Cb 0.01 -1.19 0.04 0.00 -0.52 0.00 0.00 37.83 36.17 1rtd s LYS 454 CO -0.02 0.26 0.33 0.00 -0.92 0.00 0.00 175.35 175.00 1rtd s ALA 455 N -1.49 -0.81 0.02 5.17 0.00 -0.99 -1.27 121.76 122.40 1rtd s ALA 455 Ca 0.07 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 1rtd s ALA 455 Cb -0.08 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1rtd s ALA 455 CO 0.04 -0.18 0.21 0.41 0.00 0.00 0.00 175.76 176.23 1rtd n GLY 456 N 3.43 0.99 3.24 0.00 0.00 -0.96 -1.43 105.19 110.46 1rtd n GLY 456 Ca -0.17 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1rtd n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rtd s TYR 457 N -4.58 1.44 -0.16 1.61 -0.85 -0.61 -2.66 117.35 111.54 1rtd s TYR 457 Ca 0.05 -1.51 -0.17 0.00 -0.52 0.00 0.00 57.07 54.92 1rtd s TYR 457 Cb -0.00 -0.63 0.04 0.00 0.38 0.00 0.00 41.96 41.75 1rtd s TYR 457 CO 0.01 -0.75 0.46 0.54 -1.52 0.00 0.00 175.55 174.29 1rtd s VAL 458 N -3.83 0.00 0.47 -3.49 0.11 -0.88 -2.51 120.40 110.27 1rtd s VAL 458 Ca 0.40 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.45 1rtd s VAL 458 Cb 0.05 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1rtd s VAL 458 CO 0.19 -0.02 0.02 0.42 -3.33 0.00 0.00 175.10 172.39 1rtd s THR 459 N 0.10 1.54 0.26 5.04 -4.23 -0.51 -0.98 115.64 116.85 1rtd s THR 459 Ca -0.01 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 1rtd s THR 459 Cb -0.03 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 1rtd s THR 459 CO 0.01 0.00 1.61 -0.55 -0.54 0.00 0.00 174.62 175.15 1rtd h ASN 460 N 1.50 0.18 1.36 3.99 -1.07 -1.83 -3.09 115.58 116.62 1rtd h ASN 460 Ca -0.44 -0.10 -0.03 0.00 0.07 0.00 0.00 56.30 55.80 1rtd h ASN 460 Cb 1.28 -0.05 -0.00 0.00 -2.07 0.00 0.00 38.32 37.48 1rtd h ASN 460 CO 0.76 0.71 -0.16 0.11 0.07 0.00 0.00 177.43 178.93 1rtd h LYS 461 N 0.12 0.00 0.00 4.14 1.57 -1.97 -3.47 116.57 116.97 1rtd h LYS 461 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rtd h LYS 461 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1rtd h LYS 461 CO 0.08 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 1rtd n GLY 462 N 0.58 1.36 3.77 3.86 0.00 -1.17 -5.12 105.19 108.47 1rtd n GLY 462 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1rtd n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rtd s ARG 463 N 0.00 3.71 0.05 1.61 3.52 -1.26 -4.78 118.95 121.79 1rtd s ARG 463 Ca 0.00 2.44 -0.15 0.00 -0.13 0.00 0.00 55.73 57.89 1rtd s ARG 463 Cb 0.00 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1rtd s ARG 463 CO 0.00 -0.81 0.33 -1.14 -0.81 0.00 0.00 175.30 172.87 1rtd s GLN 464 N -2.43 0.85 -0.30 5.12 0.74 -1.26 -1.43 119.66 120.95 1rtd s GLN 464 Ca 0.60 -0.49 -0.16 0.00 0.05 0.00 0.00 55.36 55.36 1rtd s GLN 464 Cb -0.44 0.37 0.17 0.00 1.10 0.00 0.00 33.01 34.21 1rtd s GLN 464 CO 0.57 -0.28 1.05 0.21 -0.55 0.00 0.00 175.29 176.28 1rtd s LYS 465 N -2.64 0.26 0.10 1.67 2.20 -1.05 -5.00 119.74 115.29 1rtd s LYS 465 Ca -0.04 0.57 0.08 0.00 -0.36 0.00 0.00 55.97 56.22 1rtd s LYS 465 Cb -0.01 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 1rtd s LYS 465 CO -0.04 -0.08 -0.20 0.14 -0.36 0.00 0.00 175.35 174.81 1rtd s VAL 466 N 1.94 1.68 0.09 4.02 -7.23 -1.26 -1.57 120.40 118.05 1rtd s VAL 466 Ca -0.05 -1.51 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 1rtd s VAL 466 Cb -0.04 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1rtd s VAL 466 CO -0.16 -0.05 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.76 1rtd s VAL 467 N -1.14 1.12 0.05 1.32 1.01 -0.52 -4.97 120.40 117.27 1rtd s VAL 467 Ca 0.06 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.48 1rtd s VAL 467 Cb -0.10 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1rtd s VAL 467 CO 0.04 -0.33 0.39 -2.16 0.00 0.00 0.00 175.10 173.04 1rtd s PRO 468 N -2.13 3.78 -0.03 2.72 0.04 -1.26 -2.33 135.00 135.79 1rtd s PRO 468 Ca 0.02 0.22 0.06 0.00 0.04 0.00 0.00 61.00 61.34 1rtd s PRO 468 Cb -0.08 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 1rtd s PRO 468 CO 0.02 0.60 -0.22 -0.51 0.04 0.00 0.00 177.00 176.93 1rtd s LEU 469 N -1.67 2.03 0.00 -3.56 1.43 0.17 -4.98 118.68 112.10 1rtd s LEU 469 Ca 0.30 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1rtd s LEU 469 Cb -0.15 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1rtd s LEU 469 CO 0.16 0.25 0.15 0.41 0.23 0.00 0.00 176.35 177.55 1rtd n THR 470 N 2.74 0.00 -2.50 5.49 -1.04 -1.26 -1.82 114.28 115.88 1rtd n THR 470 Ca -0.16 0.41 -0.33 0.00 -2.04 0.00 0.00 64.05 61.92 1rtd n THR 470 Cb 0.52 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1rtd n THR 470 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1rtd n ASP 471 N -0.28 5.92 -4.68 8.00 9.92 -1.24 -3.77 116.55 130.41 1rtd n ASP 471 Ca 0.00 -3.73 -0.25 0.00 -0.53 0.00 0.00 54.79 50.28 1rtd n ASP 471 Cb 0.00 -0.79 0.10 0.00 -0.64 0.00 0.00 41.12 39.79 1rtd n ASP 471 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1rtd s THR 472 N -4.89 2.22 0.27 -3.53 -1.32 -0.67 -5.01 115.64 102.71 1rtd s THR 472 Ca 0.47 -0.44 0.06 0.00 -1.21 0.00 0.00 61.69 60.57 1rtd s THR 472 Cb 0.33 -2.78 -0.06 0.00 -1.51 0.00 0.00 72.50 68.49 1rtd s THR 472 CO -0.22 0.00 -0.04 0.42 -2.21 0.00 0.00 174.62 172.57 1rtd s THR 473 N -3.23 1.52 0.44 5.08 -4.23 -1.26 -4.70 115.64 109.27 1rtd s THR 473 Ca 0.65 -2.10 0.15 0.00 -1.18 0.00 0.00 61.69 59.20 1rtd s THR 473 Cb -0.07 -2.45 0.18 0.00 1.34 0.00 0.00 72.50 71.50 1rtd s THR 473 CO 0.45 -0.29 1.99 0.78 -0.54 0.00 0.00 174.62 177.00 1rtd h ASN 474 N 2.30 0.00 0.16 3.99 2.35 -1.92 -2.29 115.58 120.18 1rtd h ASN 474 Ca -0.40 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.06 1rtd h ASN 474 Cb 1.23 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.63 1rtd h ASN 474 CO 0.67 0.19 -1.25 1.56 -1.65 0.00 0.00 177.43 176.95 1rtd h GLN 475 N 0.00 0.56 -0.58 0.81 7.50 -1.97 -3.15 115.11 118.27 1rtd h GLN 475 Ca -0.00 -0.82 -0.05 0.00 0.50 0.00 0.00 58.65 58.27 1rtd h GLN 475 Cb 0.34 0.29 -0.03 0.00 0.05 0.00 0.00 27.48 28.13 1rtd h GLN 475 CO 0.02 1.38 0.15 0.87 -1.50 0.00 0.00 178.83 179.75 1rtd h LYS 476 N 0.15 0.90 -0.57 1.46 1.57 -1.87 -2.00 116.57 116.20 1rtd h LYS 476 Ca -0.20 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.32 1rtd h LYS 476 Cb 1.95 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 34.10 1rtd h LYS 476 CO 0.24 0.80 0.07 1.79 -0.57 0.00 0.00 179.45 181.77 1rtd h THR 477 N 0.86 1.25 0.00 -0.16 1.35 -1.48 0.29 112.91 115.02 1rtd h THR 477 Ca 0.19 -0.99 -0.06 0.00 -0.55 0.00 0.00 66.41 65.00 1rtd h THR 477 Cb 0.30 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 1rtd h THR 477 CO -0.00 0.36 -0.27 1.56 -0.25 0.00 0.00 175.52 176.92 1rtd h GLN 478 N 0.87 0.00 0.09 4.72 4.20 -1.40 -1.80 115.11 121.78 1rtd h GLN 478 Ca 0.17 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.62 1rtd h GLN 478 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1rtd h GLN 478 CO 0.01 0.27 -1.25 -0.07 -0.67 0.00 0.00 178.83 177.12 1rtd h LEU 479 N 0.00 0.29 -0.61 1.46 3.38 -0.52 -3.28 115.31 116.04 1rtd h LEU 479 Ca -0.00 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1rtd h LEU 479 Cb 0.82 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1rtd h LEU 479 CO 0.04 1.27 0.11 1.56 0.09 0.00 0.00 178.44 181.50 1rtd h GLN 480 N 0.05 1.01 0.00 1.13 1.08 -0.12 -2.81 115.11 115.45 1rtd h GLN 480 Ca -0.13 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1rtd h GLN 480 Cb 1.93 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.24 1rtd h GLN 480 CO 0.17 0.94 0.00 0.00 -0.95 0.00 0.00 178.83 178.99 1rtd h ALA 481 N 1.03 1.00 0.21 3.87 0.00 -1.41 -1.03 119.26 122.92 1rtd h ALA 481 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.76 1rtd h ALA 481 Cb 0.41 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1rtd h ALA 481 CO 0.01 0.00 -1.56 0.82 0.00 0.00 0.00 179.25 178.52 1rtd h ILE 482 N 0.00 1.18 -0.63 0.00 1.08 -1.56 -2.85 117.51 114.72 1rtd h ILE 482 Ca 0.00 -2.69 0.00 0.00 -0.39 0.00 0.00 64.86 61.78 1rtd h ILE 482 Cb 0.35 2.91 -0.03 0.00 -3.07 0.00 0.00 36.82 36.99 1rtd h ILE 482 CO 0.00 0.84 0.40 0.22 -0.69 0.00 0.00 178.15 178.91 1rtd h TYR 483 N 0.12 0.82 -0.08 1.37 3.20 -1.12 -1.46 116.97 119.83 1rtd h TYR 483 Ca -0.27 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 1rtd h TYR 483 Cb 2.12 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 40.11 1rtd h TYR 483 CO 0.11 0.54 0.02 -0.07 -1.64 0.00 0.00 178.16 177.12 1rtd h LEU 484 N 0.86 0.12 -1.99 2.82 3.38 -1.31 -1.66 115.31 117.53 1rtd h LEU 484 Ca 0.23 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1rtd h LEU 484 Cb -0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1rtd h LEU 484 CO -0.05 0.32 0.29 0.00 0.09 0.00 0.00 178.44 179.09 1rtd h ALA 485 N 0.80 2.37 0.04 1.53 0.00 -1.24 -0.84 119.26 121.92 1rtd h ALA 485 Ca 0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 1rtd h ALA 485 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1rtd h ALA 485 CO 0.00 -0.48 -1.28 -0.07 0.00 0.00 0.00 179.25 177.42 1rtd h LEU 486 N 0.01 0.14 0.11 0.00 3.38 -0.89 -3.31 115.31 114.76 1rtd h LEU 486 Ca 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1rtd h LEU 486 Cb 0.75 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1rtd h LEU 486 CO -0.00 1.15 -0.05 1.56 0.09 0.00 0.00 178.44 181.18 1rtd h GLN 487 N 0.03 -0.15 -1.00 1.13 4.20 -0.22 -3.28 115.11 115.82 1rtd h GLN 487 Ca -0.13 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1rtd h GLN 487 Cb 1.90 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.71 1rtd h GLN 487 CO 0.14 0.32 0.00 -0.25 -0.67 0.00 0.00 178.83 178.37 1rtd n ASP 488 N -4.92 1.68 -4.66 1.46 9.92 -0.86 -4.87 116.55 114.31 1rtd n ASP 488 Ca -0.08 -2.01 -0.30 0.00 -0.53 0.00 0.00 54.79 51.86 1rtd n ASP 488 Cb 0.27 -0.50 -0.09 0.00 -0.64 0.00 0.00 41.12 40.16 1rtd n ASP 488 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1rtd s SER 489 N 0.32 3.87 0.10 -2.24 1.04 -1.24 -5.05 113.70 110.51 1rtd s SER 489 Ca 0.00 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.89 1rtd s SER 489 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1rtd s SER 489 CO 0.00 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1rtd n GLY 490 N -1.11 -0.42 0.15 7.32 0.00 -1.26 -4.97 105.19 104.90 1rtd n GLY 490 Ca -0.13 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.23 1rtd n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rtd h LEU 491 N 0.00 0.00 -7.96 0.99 4.07 -1.95 -3.42 115.31 107.04 1rtd h LEU 491 Ca 0.00 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 57.29 1rtd h LEU 491 Cb 0.00 0.00 -0.36 0.00 1.08 0.00 0.00 40.66 41.38 1rtd h LEU 491 CO 0.00 0.51 -0.83 -1.61 -1.08 0.00 0.00 178.44 175.43 1rtd s GLU 492 N -3.27 2.59 0.19 1.13 2.02 -1.26 -0.84 118.70 119.27 1rtd s GLU 492 Ca 0.01 -1.10 0.08 0.00 0.02 0.00 0.00 54.97 53.98 1rtd s GLU 492 Cb 0.10 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 1rtd s GLU 492 CO 0.73 -0.40 -0.16 0.08 0.02 0.00 0.00 175.26 175.53 1rtd s VAL 493 N 1.19 1.78 -0.24 2.63 1.01 -0.96 -4.28 120.40 121.53 1rtd s VAL 493 Ca -0.02 -2.11 -0.01 0.00 0.00 0.00 0.00 61.98 59.83 1rtd s VAL 493 Cb -0.17 -1.97 0.07 0.00 0.00 0.00 0.00 36.38 34.31 1rtd s VAL 493 CO -0.09 -0.50 0.03 0.20 0.00 0.00 0.00 175.10 174.75 1rtd s ASN 494 N -3.09 3.50 -0.19 3.32 0.01 -1.01 -1.73 114.94 115.75 1rtd s ASN 494 Ca 0.20 -1.17 -0.04 0.00 -0.71 0.00 0.00 52.86 51.14 1rtd s ASN 494 Cb -0.03 -0.83 -0.02 0.00 0.41 0.00 0.00 41.25 40.78 1rtd s ASN 494 CO 0.07 -0.32 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.69 1rtd s ILE 495 N 1.66 3.84 -0.26 0.60 1.01 -0.32 0.43 121.20 128.15 1rtd s ILE 495 Ca 0.01 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1rtd s ILE 495 Cb -0.18 -2.72 0.05 0.00 0.01 0.00 0.00 42.46 39.63 1rtd s ILE 495 CO -0.13 0.45 -0.09 0.54 0.00 0.00 0.00 174.94 175.71 1rtd s VAL 496 N 0.85 2.37 0.30 2.92 0.11 0.27 -1.81 120.40 125.40 1rtd s VAL 496 Ca -0.00 -1.53 0.08 0.00 -2.93 0.00 0.00 61.98 57.59 1rtd s VAL 496 Cb -0.14 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.31 1rtd s VAL 496 CO 0.02 -0.01 0.18 0.28 -3.33 0.00 0.00 175.10 172.23 1rtd s THR 497 N 1.15 3.73 -0.85 5.04 -1.32 -0.45 -2.31 115.64 120.63 1rtd s THR 497 Ca -0.07 -1.54 0.10 0.00 -1.21 0.00 0.00 61.69 58.96 1rtd s THR 497 Cb -0.20 -3.16 0.27 0.00 -1.51 0.00 0.00 72.50 67.90 1rtd s THR 497 CO -0.04 -0.27 1.21 -0.90 -2.21 0.00 0.00 174.62 172.41 1rtd n ASP 498 N -1.18 2.79 -4.66 8.08 5.75 -1.26 -1.56 116.55 124.52 1rtd n ASP 498 Ca -0.05 -1.98 -0.37 0.00 -0.01 0.00 0.00 54.79 52.39 1rtd n ASP 498 Cb 0.59 -0.20 -0.09 0.00 -1.03 0.00 0.00 41.12 40.39 1rtd n ASP 498 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rtd s SER 499 N -0.99 6.13 -0.08 -1.12 0.15 -1.26 -4.61 113.70 111.91 1rtd s SER 499 Ca 0.20 0.13 -0.22 0.00 0.70 0.00 0.00 55.95 56.76 1rtd s SER 499 Cb 0.11 -2.11 -0.18 0.00 -1.71 0.00 0.00 66.02 62.12 1rtd s SER 499 CO 0.14 0.05 0.82 1.56 1.20 0.00 0.00 173.24 177.01 1rtd h GLN 500 N 7.56 -0.09 -0.77 5.44 4.20 -1.96 -3.21 115.11 126.28 1rtd h GLN 500 Ca -0.38 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.41 1rtd h GLN 500 Cb 1.17 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.87 1rtd h GLN 500 CO 0.65 0.49 -0.54 -0.92 -0.67 0.00 0.00 178.83 177.84 1rtd h TYR 501 N -0.85 -1.72 0.49 2.96 3.20 -1.98 0.13 116.97 119.18 1rtd h TYR 501 Ca -0.01 0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1rtd h TYR 501 Cb 0.62 0.85 0.00 0.00 1.54 0.00 0.00 36.73 39.75 1rtd h TYR 501 CO 0.14 -0.38 -0.24 0.00 -1.64 0.00 0.00 178.16 176.04 1rtd h ALA 502 N 0.25 -0.67 -0.90 1.82 0.00 -1.93 -2.33 119.26 115.50 1rtd h ALA 502 Ca 0.13 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1rtd h ALA 502 Cb 0.43 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1rtd h ALA 502 CO -0.79 -0.88 0.56 1.25 0.00 0.00 0.00 179.25 179.39 1rtd h LEU 503 N -0.67 0.85 -0.91 0.00 5.85 -1.50 -1.11 115.31 117.82 1rtd h LEU 503 Ca -0.07 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1rtd h LEU 503 Cb 0.52 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1rtd h LEU 503 CO 0.10 0.52 0.58 1.23 -0.34 0.00 0.00 178.44 180.53 1rtd h GLY 504 N 0.97 1.35 0.77 3.75 0.00 -0.55 0.17 103.07 109.53 1rtd h GLY 504 Ca 0.41 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1rtd h GLY 504 CO -0.21 0.33 -0.12 -2.22 0.00 0.00 0.00 176.54 174.32 1rtd h ILE 505 N 1.08 0.80 -0.06 2.60 2.04 -0.66 -3.18 117.51 120.14 1rtd h ILE 505 Ca 0.38 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1rtd h ILE 505 Cb 0.10 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1rtd h ILE 505 CO -0.15 0.10 -0.15 0.40 0.00 0.00 0.00 178.15 178.35 1rtd h ILE 506 N -0.58 1.14 0.00 -0.67 2.04 -1.04 -2.67 117.51 115.73 1rtd h ILE 506 Ca -0.04 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1rtd h ILE 506 Cb 0.42 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1rtd h ILE 506 CO 0.06 0.19 -0.26 1.56 0.00 0.00 0.00 178.15 179.69 1rtd h GLN 507 N 0.09 0.00 -0.01 2.37 4.20 -0.95 -1.64 115.11 119.17 1rtd h GLN 507 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1rtd h GLN 507 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1rtd h GLN 507 CO 0.02 0.26 0.00 0.00 -0.67 0.00 0.00 178.83 178.45 1rtd n ALA 508 N -2.37 2.50 -3.98 3.87 0.00 -1.01 -4.93 120.51 114.59 1rtd n ALA 508 Ca -0.02 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 1rtd n ALA 508 Cb 0.35 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.81 1rtd n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rtd n GLN 509 N -0.46 -0.73 -2.57 0.00 6.02 -0.62 -4.79 117.38 114.24 1rtd n GLN 509 Ca 0.01 0.33 -0.35 0.00 -0.01 0.00 0.00 57.00 56.97 1rtd n GLN 509 Cb 0.01 -2.34 -0.04 0.00 1.02 0.00 0.00 30.24 28.89 1rtd n GLN 509 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1rtd s PRO 510 N -6.50 4.00 0.00 -1.09 0.02 -1.26 -4.60 135.00 125.56 1rtd s PRO 510 Ca 0.30 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1rtd s PRO 510 Cb -0.17 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.04 1rtd s PRO 510 CO 0.95 -0.27 0.66 -0.40 -0.33 0.00 0.00 177.00 177.61 1rtd n ASP 511 N -0.52 1.31 -3.47 2.53 5.68 -0.14 -4.93 116.55 117.00 1rtd n ASP 511 Ca 0.07 -1.35 -0.12 0.00 -0.50 0.00 0.00 54.79 52.89 1rtd n ASP 511 Cb 0.51 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 1rtd n ASP 511 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1rtd s GLU 512 N -0.35 1.22 -0.01 0.11 -1.05 -1.17 -5.01 118.70 112.44 1rtd s GLU 512 Ca 0.00 -0.47 -0.28 0.00 -0.15 0.00 0.00 54.97 54.06 1rtd s GLU 512 Cb 0.00 0.56 0.10 0.00 -0.44 0.00 0.00 34.13 34.35 1rtd s GLU 512 CO 0.00 -0.52 0.83 0.45 0.95 0.00 0.00 175.26 176.98 1rtd s SER 513 N -2.66 -0.44 0.36 0.83 0.15 -1.26 -3.34 113.70 107.35 1rtd s SER 513 Ca 0.01 0.17 0.19 0.00 0.70 0.00 0.00 55.95 57.02 1rtd s SER 513 Cb -0.00 0.43 0.24 0.00 -1.71 0.00 0.00 66.02 64.98 1rtd s SER 513 CO -0.11 -0.63 1.54 -0.33 1.20 0.00 0.00 173.24 174.91 1rtd h GLU 514 N 2.24 0.00 -5.21 5.44 5.08 -1.70 -3.44 114.58 116.99 1rtd h GLU 514 Ca -0.24 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.50 1rtd h GLU 514 Cb 1.23 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.34 1rtd h GLU 514 CO 0.33 0.25 -0.38 0.45 -1.00 0.00 0.00 179.01 178.66 1rtd s SER 515 N -6.32 6.24 0.41 1.42 0.15 -1.26 -4.99 113.70 109.34 1rtd s SER 515 Ca 0.05 0.27 0.09 0.00 0.70 0.00 0.00 55.95 57.06 1rtd s SER 515 Cb 0.06 -2.16 0.86 0.00 -1.71 0.00 0.00 66.02 63.07 1rtd s SER 515 CO 0.70 -0.01 2.00 -0.08 1.20 0.00 0.00 173.24 177.06 1rtd h GLU 516 N 7.52 0.38 -0.03 5.44 4.57 -1.99 -1.30 114.58 129.17 1rtd h GLU 516 Ca -0.37 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1rtd h GLU 516 Cb 1.17 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1rtd h GLU 516 CO 0.67 0.34 0.01 1.25 -1.18 0.00 0.00 179.01 180.11 1rtd h LEU 517 N 0.38 0.04 -1.04 1.64 6.46 -1.98 -2.31 115.31 118.49 1rtd h LEU 517 Ca 0.09 -0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.62 1rtd h LEU 517 Cb 0.13 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 1rtd h LEU 517 CO -0.01 0.21 0.15 0.58 -0.62 0.00 0.00 178.44 178.75 1rtd h VAL 518 N -0.14 1.22 -0.91 1.05 2.07 -1.86 -2.36 116.25 115.32 1rtd h VAL 518 Ca 0.01 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1rtd h VAL 518 Cb 0.19 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1rtd h VAL 518 CO -0.00 0.30 0.60 0.78 0.02 0.00 0.00 177.57 179.26 1rtd h ASN 519 N 0.81 1.00 1.82 0.57 2.35 -0.93 -1.85 115.58 119.35 1rtd h ASN 519 Ca 0.18 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1rtd h ASN 519 Cb 0.27 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1rtd h ASN 519 CO -0.00 0.69 -0.18 0.06 -1.65 0.00 0.00 177.43 176.35 1rtd h GLN 520 N 1.17 0.00 0.00 0.81 3.07 -0.93 -2.44 115.11 116.78 1rtd h GLN 520 Ca 0.36 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.97 1rtd h GLN 520 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.52 1rtd h GLN 520 CO -0.11 0.08 -0.60 0.82 0.09 0.00 0.00 178.83 179.12 1rtd h ILE 521 N 0.00 1.36 0.10 1.86 2.04 -0.87 -2.04 117.51 119.96 1rtd h ILE 521 Ca -0.00 -2.09 -0.01 0.00 1.00 0.00 0.00 64.86 63.76 1rtd h ILE 521 Cb 1.07 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1rtd h ILE 521 CO 0.01 0.59 -0.05 0.40 0.00 0.00 0.00 178.15 179.10 1rtd h ILE 522 N 0.00 1.12 -0.98 -0.67 2.04 -1.27 -2.29 117.51 115.47 1rtd h ILE 522 Ca -0.01 -1.10 0.24 0.00 1.00 0.00 0.00 64.86 65.00 1rtd h ILE 522 Cb 1.10 1.79 -0.08 0.00 -0.74 0.00 0.00 36.82 38.89 1rtd h ILE 522 CO 0.08 0.26 0.65 -0.08 0.00 0.00 0.00 178.15 179.05 1rtd h GLU 523 N -0.67 0.35 -0.04 2.37 4.81 -1.20 0.39 114.58 120.60 1rtd h GLU 523 Ca -0.01 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 1rtd h GLU 523 Cb 0.52 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.83 1rtd h GLU 523 CO 0.02 0.23 -0.56 0.37 -0.73 0.00 0.00 179.01 178.35 1rtd h GLN 524 N 0.36 0.44 -0.23 1.92 5.75 -1.29 -3.00 115.11 119.07 1rtd h GLN 524 Ca 0.53 -0.43 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1rtd h GLN 524 Cb 1.40 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 30.05 1rtd h GLN 524 CO -0.21 1.08 0.06 -0.07 -2.65 0.00 0.00 178.83 177.04 1rtd h LEU 525 N -0.04 0.28 -0.59 -2.39 3.38 -0.36 -1.88 115.31 113.71 1rtd h LEU 525 Ca -0.06 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1rtd h LEU 525 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1rtd h LEU 525 CO 0.11 0.28 -0.40 0.40 0.09 0.00 0.00 178.44 178.93 1rtd h ILE 526 N 0.32 1.29 0.00 1.22 2.04 -1.28 -2.72 117.51 118.37 1rtd h ILE 526 Ca 0.08 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1rtd h ILE 526 Cb 0.11 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1rtd h ILE 526 CO -0.01 0.50 0.00 0.11 0.00 0.00 0.00 178.15 178.76 1rtd h LYS 527 N 0.55 0.00 -7.67 2.37 1.57 -1.20 -3.45 116.57 108.74 1rtd h LYS 527 Ca 0.05 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.37 1rtd h LYS 527 Cb 0.93 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.37 1rtd h LYS 527 CO 0.08 0.00 0.39 0.15 -0.57 0.00 0.00 179.45 179.50 1rtd s LYS 528 N -3.56 1.20 -0.14 3.15 -0.14 -1.03 -5.01 119.74 114.22 1rtd s LYS 528 Ca 0.02 -0.07 -0.05 0.00 -1.36 0.00 0.00 55.97 54.52 1rtd s LYS 528 Cb 0.09 -1.88 -0.07 0.00 -1.68 0.00 0.00 37.83 34.29 1rtd s LYS 528 CO 0.49 -2.09 -0.16 -1.91 -0.76 0.00 0.00 175.35 170.92 1rtd n GLU 529 N -3.62 0.31 -3.70 1.68 2.13 -0.02 -5.02 120.64 112.41 1rtd n GLU 529 Ca 0.11 0.11 -0.14 0.00 0.66 0.00 0.00 57.16 57.90 1rtd n GLU 529 Cb 0.60 -1.08 -0.14 0.00 0.27 0.00 0.00 31.44 31.09 1rtd n GLU 529 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1rtd s LYS 530 N -2.26 0.12 -0.05 5.31 1.02 -1.13 -5.04 119.74 117.72 1rtd s LYS 530 Ca -0.19 0.56 0.03 0.00 0.02 0.00 0.00 55.97 56.39 1rtd s LYS 530 Cb 0.07 -0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.23 1rtd s LYS 530 CO 0.26 -0.24 -0.12 0.08 -0.92 0.00 0.00 175.35 174.42 1rtd s VAL 531 N 1.83 1.07 -0.18 3.17 1.01 -1.26 -2.28 120.40 123.76 1rtd s VAL 531 Ca -0.03 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1rtd s VAL 531 Cb -0.12 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1rtd s VAL 531 CO -0.07 0.33 -0.16 -0.47 0.00 0.00 0.00 175.10 174.73 1rtd s TYR 532 N 0.41 2.66 -0.08 5.22 5.04 -0.70 -0.82 117.35 129.07 1rtd s TYR 532 Ca -0.09 -1.63 -0.00 0.00 -2.44 0.00 0.00 57.07 52.91 1rtd s TYR 532 Cb -0.13 -1.82 -0.03 0.00 0.35 0.00 0.00 41.96 40.34 1rtd s TYR 532 CO 0.02 -0.78 -0.05 -1.17 -1.34 0.00 0.00 175.55 172.24 1rtd s LEU 533 N 1.32 3.28 0.09 6.97 2.96 -1.26 -1.17 118.68 130.87 1rtd s LEU 533 Ca 0.03 0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1rtd s LEU 533 Cb -0.14 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1rtd s LEU 533 CO -0.11 0.35 0.04 0.00 -1.32 0.00 0.00 176.35 175.31 1rtd s ALA 534 N -0.70 0.49 0.11 5.97 0.00 -0.75 -4.99 121.76 121.89 1rtd s ALA 534 Ca 0.11 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 50.98 1rtd s ALA 534 Cb -0.11 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1rtd s ALA 534 CO 0.02 -0.44 -0.25 -0.46 0.00 0.00 0.00 175.76 174.63 1rtd s TRP 535 N -3.95 2.36 -0.00 0.00 -0.00 -1.26 -1.34 118.94 114.75 1rtd s TRP 535 Ca 0.12 -0.36 -0.03 0.00 -0.00 0.00 0.00 56.10 55.83 1rtd s TRP 535 Cb 0.07 -1.30 -0.00 0.00 -0.00 0.00 0.00 33.47 32.23 1rtd s TRP 535 CO -0.06 0.30 0.06 0.14 -0.00 0.00 0.00 176.95 177.39 1rtd s VAL 536 N -1.02 0.07 -0.04 5.86 -7.23 -0.60 -4.97 120.40 112.47 1rtd s VAL 536 Ca 0.14 -0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 59.44 1rtd s VAL 536 Cb -0.10 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 1rtd s VAL 536 CO 0.06 -0.31 1.52 -2.84 -0.31 0.00 0.00 175.10 173.22 1rtd s PRO 537 N -1.00 4.22 0.00 4.82 0.02 -1.26 -4.28 135.00 137.53 1rtd s PRO 537 Ca -0.11 2.06 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1rtd s PRO 537 Cb -0.06 -3.79 0.00 0.00 0.02 0.00 0.00 34.50 30.66 1rtd s PRO 537 CO 0.00 -0.74 0.03 0.00 -0.33 0.00 0.00 177.00 175.97 1rtd n ALA 538 N 6.39 0.00 -0.69 -1.55 0.00 -1.26 -3.41 120.51 119.99 1rtd n ALA 538 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.53 1rtd n ALA 538 Cb 0.43 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 1rtd n ALA 538 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rtd n HIS 539 N -0.07 0.40 -2.89 0.00 8.25 -1.26 -4.81 115.22 114.83 1rtd n HIS 539 Ca 0.00 -1.32 -0.19 0.00 -0.26 0.00 0.00 57.72 55.95 1rtd n HIS 539 Cb 0.00 -0.79 0.08 0.00 1.12 0.00 0.00 29.99 30.40 1rtd n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1rtd n LYS 540 N 1.36 0.41 -0.98 -0.41 4.01 -1.22 -5.01 118.16 116.32 1rtd n LYS 540 Ca 0.14 -2.78 -0.21 0.00 -0.51 0.00 0.00 58.31 54.95 1rtd n LYS 540 Cb 0.58 -0.35 0.06 0.00 -0.51 0.00 0.00 35.03 34.80 1rtd n LYS 540 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rtd n GLY 541 N -1.76 4.45 3.61 0.72 0.00 -1.26 -4.77 105.19 106.18 1rtd n GLY 541 Ca 0.15 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 1rtd n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rtd s ILE 542 N -2.87 3.66 -0.08 -0.61 1.01 -1.26 -4.93 121.20 116.11 1rtd s ILE 542 Ca 0.40 0.69 -0.31 0.00 0.00 0.00 0.00 60.65 61.43 1rtd s ILE 542 Cb 0.32 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.88 1rtd s ILE 542 CO 0.01 -0.47 2.04 0.61 0.00 0.00 0.00 174.94 177.12 1rtd n GLY 543 N 5.12 1.48 0.00 6.18 0.00 -1.26 -1.04 105.19 115.67 1rtd n GLY 543 Ca 0.20 0.83 0.00 0.00 0.00 0.00 0.00 46.02 47.05 1rtd n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rtd n GLY 544 N 4.96 3.31 0.08 -0.02 0.00 -1.26 -4.80 105.19 107.46 1rtd n GLY 544 Ca 0.24 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1rtd n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rtd h ASN 545 N 0.00 0.10 -1.11 1.61 -1.24 -1.58 -3.28 115.58 110.08 1rtd h ASN 545 Ca 0.00 -0.79 0.33 0.00 0.71 0.00 0.00 56.30 56.55 1rtd h ASN 545 Cb 0.00 -0.03 -0.12 0.00 0.73 0.00 0.00 38.32 38.90 1rtd h ASN 545 CO 0.00 0.88 0.70 -0.08 -1.29 0.00 0.00 177.43 177.63 1rtd h GLU 546 N -0.66 0.29 -0.04 6.67 4.81 -1.39 -1.39 114.58 122.87 1rtd h GLU 546 Ca -0.01 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 1rtd h GLU 546 Cb 0.89 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.22 1rtd h GLU 546 CO 0.02 0.19 -0.94 1.96 -0.73 0.00 0.00 179.01 179.52 1rtd h GLN 547 N 0.30 0.61 0.00 1.92 1.08 -1.81 -2.83 115.11 114.37 1rtd h GLN 547 Ca 0.70 -0.60 -0.18 0.00 -1.45 0.00 0.00 58.65 57.11 1rtd h GLN 547 Cb 1.85 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 29.41 1rtd h GLN 547 CO -0.41 1.22 -0.87 0.28 -0.95 0.00 0.00 178.83 178.10 1rtd h VAL 548 N 0.36 1.57 -0.71 -0.54 2.07 -1.33 -2.51 116.25 115.16 1rtd h VAL 548 Ca -0.09 -3.04 -0.03 0.00 0.82 0.00 0.00 66.70 64.36 1rtd h VAL 548 Cb 1.57 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 33.97 1rtd h VAL 548 CO 0.18 0.85 0.33 -0.78 0.02 0.00 0.00 177.57 178.17 1rtd h ASP 549 N 0.00 0.94 -0.30 0.57 3.58 -1.40 -0.84 116.42 118.96 1rtd h ASP 549 Ca -0.01 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.20 1rtd h ASP 549 Cb 1.59 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 1rtd h ASP 549 CO 0.11 0.81 -0.22 0.50 -2.88 0.00 0.00 179.24 177.57 1rtd h LYS 550 N 0.99 0.67 -0.29 0.28 3.64 -1.43 -3.09 116.57 117.34 1rtd h LYS 550 Ca 0.24 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1rtd h LYS 550 Cb 0.13 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1rtd h LYS 550 CO -0.03 0.93 0.09 -0.07 -2.27 0.00 0.00 179.45 178.10 1rtd h LEU 551 N 0.42 0.43 -0.33 5.20 3.38 -1.22 -3.02 115.31 120.17 1rtd h LEU 551 Ca 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1rtd h LEU 551 Cb 0.77 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1rtd h LEU 551 CO 0.06 0.52 0.00 1.33 0.09 0.00 0.00 178.44 180.44 1rtd n VAL 552 N -4.70 0.09 -4.40 1.22 0.24 -0.34 -4.80 118.33 105.64 1rtd n VAL 552 Ca -0.02 -0.08 -0.34 0.00 -2.04 0.00 0.00 64.34 61.86 1rtd n VAL 552 Cb 0.17 -0.03 -0.13 0.00 -1.47 0.00 0.00 33.84 32.38 1rtd n VAL 552 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1rtd s SER 553 N -0.88 4.59 0.00 -1.34 0.01 -1.14 -4.01 113.70 110.92 1rtd s SER 553 Ca 0.04 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1rtd s SER 553 Cb 0.02 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.50 1rtd s SER 553 CO 0.02 0.14 0.00 0.00 0.41 0.00 0.00 173.24 173.81